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 43 ASN : amide:sc= -6.01! C(o=-6!,f=-16!) USER MOD Set 1.2: A 58 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 39 TYR OH : rot 81:sc= 0.946 USER MOD Set 2.2: A 40 TYR OH : rot 180:sc= 0 USER MOD Set 3.1: A 9 ASN : amide:sc= -1.61 K(o=-1.4,f=-2.3!) USER MOD Set 3.2: A 10 ASN : amide:sc= 0.157 K(o=-1.4,f=-4!) USER MOD Set 4.1: A 8 SER OG : rot 112:sc= -3.94! USER MOD Set 4.2: A 23 CYS SG : rot 60:sc= -2.73 USER MOD Set 5.1: A 5 HIS : no HE2:sc= -3.69! X(o=-12!,f=-12) USER MOD Set 5.2: A 92 ASN : amide:sc= -6.53! C(o=-12!,f=-23!) USER MOD Set 5.3: A 94 SER OG : rot -29:sc= -1.35 USER MOD Single : A 3 ASN : amide:sc= -0.548 K(o=-0.55,f=-5.7!) USER MOD Single : A 7 SER OG : rot 180:sc= -0.14 USER MOD Single : A 17 HIS : no HE2:sc= -6.71! C(o=-6.7!,f=-10!) USER MOD Single : A 20 HIS : no HE2:sc= -7.08! C(o=-7.1!,f=-9.3!) USER MOD Single : A 25 ASN : amide:sc= -1.88 K(o=-1.9,f=-2.9!) USER MOD Single : A 33 SER OG : rot 143:sc= 0.352 USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 49 SER OG : rot -74:sc= 0.378 USER MOD Single : A 54 ASN :FLIP amide:sc= -0.527 F(o=-1.6,f=-0.53) USER MOD Single : A 56 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= -1.94! C(o=-1.9!,f=-2!) USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 ASN :FLIP amide:sc= -0.0279 F(o=-0.67,f=-0.028) USER MOD Single : A 80 ASN : amide:sc= -0.418 K(o=-0.42,f=-2.3!) USER MOD Single : A 82 MET CE :methyl -139:sc= -0.444 (180deg=-1.87!) USER MOD Single : A 90 ASN : amide:sc= -0.877 X(o=-0.88,f=-0.47) USER MOD Single : A 99 ASN : amide:sc= -1.26 K(o=-1.3,f=-3.9!) USER MOD Single : A 101 CYS SG : rot 180:sc= 0 USER MOD Single : A 103 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 20 N GLY A 2 -4.728 -8.712 -4.131 1.00 0.00 N ATOM 21 CA GLY A 2 -5.254 -7.382 -3.885 1.00 0.00 C ATOM 22 C GLY A 2 -5.828 -6.754 -5.131 1.00 0.00 C ATOM 23 O GLY A 2 -5.366 -5.710 -5.593 1.00 0.00 O ATOM 0 HA2 GLY A 2 -6.027 -7.435 -3.118 1.00 0.00 H new ATOM 0 HA3 GLY A 2 -4.460 -6.746 -3.493 1.00 0.00 H new ATOM 27 N ASN A 3 -6.856 -7.395 -5.658 1.00 0.00 N ATOM 28 CA ASN A 3 -7.546 -6.924 -6.846 1.00 0.00 C ATOM 29 C ASN A 3 -8.174 -5.555 -6.608 1.00 0.00 C ATOM 30 O ASN A 3 -8.591 -4.886 -7.552 1.00 0.00 O ATOM 31 CB ASN A 3 -8.613 -7.928 -7.280 1.00 0.00 C ATOM 32 CG ASN A 3 -9.522 -8.339 -6.140 1.00 0.00 C ATOM 33 OD1 ASN A 3 -9.420 -7.821 -5.028 1.00 0.00 O ATOM 34 ND2 ASN A 3 -10.418 -9.277 -6.415 1.00 0.00 N ATOM 0 H ASN A 3 -7.237 -8.259 -5.273 1.00 0.00 H new ATOM 0 HA ASN A 3 -6.811 -6.827 -7.645 1.00 0.00 H new ATOM 0 HB2 ASN A 3 -9.213 -7.493 -8.080 1.00 0.00 H new ATOM 0 HB3 ASN A 3 -8.128 -8.814 -7.691 1.00 0.00 H new ATOM 0 HD21 ASN A 3 -11.060 -9.598 -5.690 1.00 0.00 H new ATOM 0 HD22 ASN A 3 -10.466 -9.678 -7.352 1.00 0.00 H new ATOM 41 N PHE A 4 -8.276 -5.154 -5.339 1.00 0.00 N ATOM 42 CA PHE A 4 -8.894 -3.880 -4.989 1.00 0.00 C ATOM 43 C PHE A 4 -8.398 -2.753 -5.894 1.00 0.00 C ATOM 44 O PHE A 4 -9.142 -1.825 -6.208 1.00 0.00 O ATOM 45 CB PHE A 4 -8.605 -3.536 -3.521 1.00 0.00 C ATOM 46 CG PHE A 4 -7.392 -2.665 -3.322 1.00 0.00 C ATOM 47 CD1 PHE A 4 -6.122 -3.151 -3.587 1.00 0.00 C ATOM 48 CD2 PHE A 4 -7.527 -1.359 -2.877 1.00 0.00 C ATOM 49 CE1 PHE A 4 -5.008 -2.351 -3.410 1.00 0.00 C ATOM 50 CE2 PHE A 4 -6.417 -0.554 -2.700 1.00 0.00 C ATOM 51 CZ PHE A 4 -5.156 -1.051 -2.966 1.00 0.00 C ATOM 0 H PHE A 4 -7.939 -5.693 -4.541 1.00 0.00 H new ATOM 0 HA PHE A 4 -9.970 -3.981 -5.131 1.00 0.00 H new ATOM 0 HB2 PHE A 4 -9.474 -3.032 -3.099 1.00 0.00 H new ATOM 0 HB3 PHE A 4 -8.470 -4.462 -2.962 1.00 0.00 H new ATOM 0 HD1 PHE A 4 -6.001 -4.166 -3.936 1.00 0.00 H new ATOM 0 HD2 PHE A 4 -8.511 -0.966 -2.666 1.00 0.00 H new ATOM 0 HE1 PHE A 4 -4.023 -2.742 -3.619 1.00 0.00 H new ATOM 0 HE2 PHE A 4 -6.536 0.462 -2.354 1.00 0.00 H new ATOM 0 HZ PHE A 4 -4.287 -0.425 -2.827 1.00 0.00 H new ATOM 61 N HIS A 5 -7.143 -2.844 -6.314 1.00 0.00 N ATOM 62 CA HIS A 5 -6.559 -1.835 -7.185 1.00 0.00 C ATOM 63 C HIS A 5 -7.268 -1.812 -8.537 1.00 0.00 C ATOM 64 O HIS A 5 -7.458 -0.753 -9.134 1.00 0.00 O ATOM 65 CB HIS A 5 -5.061 -2.102 -7.368 1.00 0.00 C ATOM 66 CG HIS A 5 -4.733 -3.016 -8.511 1.00 0.00 C ATOM 67 ND1 HIS A 5 -4.394 -2.556 -9.765 1.00 0.00 N ATOM 68 CD2 HIS A 5 -4.692 -4.367 -8.584 1.00 0.00 C ATOM 69 CE1 HIS A 5 -4.160 -3.583 -10.561 1.00 0.00 C ATOM 70 NE2 HIS A 5 -4.333 -4.694 -9.869 1.00 0.00 N ATOM 0 H HIS A 5 -6.511 -3.605 -6.066 1.00 0.00 H new ATOM 0 HA HIS A 5 -6.687 -0.858 -6.719 1.00 0.00 H new ATOM 0 HB2 HIS A 5 -4.550 -1.151 -7.520 1.00 0.00 H new ATOM 0 HB3 HIS A 5 -4.665 -2.533 -6.448 1.00 0.00 H new ATOM 0 HD1 HIS A 5 -4.333 -1.575 -10.036 1.00 0.00 H new ATOM 0 HD2 HIS A 5 -4.902 -5.059 -7.782 1.00 0.00 H new ATOM 0 HE1 HIS A 5 -3.875 -3.524 -11.601 1.00 0.00 H new ATOM 79 N GLU A 6 -7.653 -2.992 -9.012 1.00 0.00 N ATOM 80 CA GLU A 6 -8.337 -3.117 -10.293 1.00 0.00 C ATOM 81 C GLU A 6 -9.806 -2.716 -10.174 1.00 0.00 C ATOM 82 O GLU A 6 -10.428 -2.307 -11.154 1.00 0.00 O ATOM 83 CB GLU A 6 -8.211 -4.552 -10.819 1.00 0.00 C ATOM 84 CG GLU A 6 -9.137 -5.555 -10.138 1.00 0.00 C ATOM 85 CD GLU A 6 -10.037 -6.278 -11.122 1.00 0.00 C ATOM 86 OE1 GLU A 6 -9.642 -6.414 -12.299 1.00 0.00 O ATOM 87 OE2 GLU A 6 -11.136 -6.709 -10.714 1.00 0.00 O ATOM 0 H GLU A 6 -7.502 -3.877 -8.527 1.00 0.00 H new ATOM 0 HA GLU A 6 -7.863 -2.438 -11.002 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -8.418 -4.553 -11.889 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -7.180 -4.883 -10.693 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -8.538 -6.286 -9.594 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -9.752 -5.036 -9.403 1.00 0.00 H new ATOM 94 N SER A 7 -10.355 -2.836 -8.968 1.00 0.00 N ATOM 95 CA SER A 7 -11.750 -2.486 -8.726 1.00 0.00 C ATOM 96 C SER A 7 -11.865 -1.175 -7.951 1.00 0.00 C ATOM 97 O SER A 7 -12.913 -0.874 -7.381 1.00 0.00 O ATOM 98 CB SER A 7 -12.451 -3.607 -7.957 1.00 0.00 C ATOM 99 OG SER A 7 -11.619 -4.120 -6.930 1.00 0.00 O ATOM 0 H SER A 7 -9.855 -3.172 -8.145 1.00 0.00 H new ATOM 0 HA SER A 7 -12.235 -2.355 -9.693 1.00 0.00 H new ATOM 0 HB2 SER A 7 -13.378 -3.231 -7.524 1.00 0.00 H new ATOM 0 HB3 SER A 7 -12.722 -4.409 -8.644 1.00 0.00 H new ATOM 0 HG SER A 7 -12.091 -4.834 -6.453 1.00 0.00 H new ATOM 105 N SER A 8 -10.786 -0.397 -7.934 1.00 0.00 N ATOM 106 CA SER A 8 -10.778 0.879 -7.230 1.00 0.00 C ATOM 107 C SER A 8 -10.159 1.971 -8.093 1.00 0.00 C ATOM 108 O SER A 8 -9.352 1.692 -8.980 1.00 0.00 O ATOM 109 CB SER A 8 -10.004 0.760 -5.915 1.00 0.00 C ATOM 110 OG SER A 8 -9.872 2.021 -5.282 1.00 0.00 O ATOM 0 H SER A 8 -9.908 -0.628 -8.399 1.00 0.00 H new ATOM 0 HA SER A 8 -11.812 1.149 -7.013 1.00 0.00 H new ATOM 0 HB2 SER A 8 -10.518 0.068 -5.249 1.00 0.00 H new ATOM 0 HB3 SER A 8 -9.016 0.342 -6.108 1.00 0.00 H new ATOM 0 HG SER A 8 -10.402 2.030 -4.458 1.00 0.00 H new ATOM 116 N ASN A 9 -10.536 3.216 -7.825 1.00 0.00 N ATOM 117 CA ASN A 9 -10.010 4.349 -8.576 1.00 0.00 C ATOM 118 C ASN A 9 -9.343 5.352 -7.640 1.00 0.00 C ATOM 119 O ASN A 9 -9.606 5.362 -6.438 1.00 0.00 O ATOM 120 CB ASN A 9 -11.125 5.028 -9.376 1.00 0.00 C ATOM 121 CG ASN A 9 -12.132 5.740 -8.493 1.00 0.00 C ATOM 122 OD1 ASN A 9 -13.128 5.155 -8.070 1.00 0.00 O ATOM 123 ND2 ASN A 9 -11.876 7.013 -8.214 1.00 0.00 N ATOM 0 H ASN A 9 -11.203 3.466 -7.095 1.00 0.00 H new ATOM 0 HA ASN A 9 -9.260 3.977 -9.274 1.00 0.00 H new ATOM 0 HB2 ASN A 9 -10.684 5.745 -10.068 1.00 0.00 H new ATOM 0 HB3 ASN A 9 -11.641 4.280 -9.978 1.00 0.00 H new ATOM 0 HD21 ASN A 9 -12.518 7.546 -7.627 1.00 0.00 H new ATOM 0 HD22 ASN A 9 -11.037 7.458 -8.587 1.00 0.00 H new ATOM 130 N ASN A 10 -8.476 6.189 -8.198 1.00 0.00 N ATOM 131 CA ASN A 10 -7.770 7.190 -7.409 1.00 0.00 C ATOM 132 C ASN A 10 -6.908 6.525 -6.339 1.00 0.00 C ATOM 133 O ASN A 10 -7.041 6.814 -5.150 1.00 0.00 O ATOM 134 CB ASN A 10 -8.764 8.155 -6.758 1.00 0.00 C ATOM 135 CG ASN A 10 -9.381 9.112 -7.758 1.00 0.00 C ATOM 136 OD1 ASN A 10 -9.528 8.788 -8.936 1.00 0.00 O ATOM 137 ND2 ASN A 10 -9.745 10.301 -7.291 1.00 0.00 N ATOM 0 H ASN A 10 -8.246 6.194 -9.192 1.00 0.00 H new ATOM 0 HA ASN A 10 -7.119 7.753 -8.078 1.00 0.00 H new ATOM 0 HB2 ASN A 10 -9.554 7.584 -6.271 1.00 0.00 H new ATOM 0 HB3 ASN A 10 -8.256 8.725 -5.980 1.00 0.00 H new ATOM 0 HD21 ASN A 10 -10.165 10.988 -7.917 1.00 0.00 H new ATOM 0 HD22 ASN A 10 -9.604 10.527 -6.306 1.00 0.00 H new ATOM 144 N ILE A 11 -6.023 5.633 -6.772 1.00 0.00 N ATOM 145 CA ILE A 11 -5.135 4.927 -5.854 1.00 0.00 C ATOM 146 C ILE A 11 -3.811 5.670 -5.712 1.00 0.00 C ATOM 147 O ILE A 11 -3.067 5.822 -6.681 1.00 0.00 O ATOM 148 CB ILE A 11 -4.852 3.481 -6.319 1.00 0.00 C ATOM 149 CG1 ILE A 11 -5.994 2.951 -7.194 1.00 0.00 C ATOM 150 CG2 ILE A 11 -4.641 2.570 -5.119 1.00 0.00 C ATOM 151 CD1 ILE A 11 -7.355 3.039 -6.537 1.00 0.00 C ATOM 0 H ILE A 11 -5.901 5.382 -7.753 1.00 0.00 H new ATOM 0 HA ILE A 11 -5.645 4.887 -4.891 1.00 0.00 H new ATOM 0 HB ILE A 11 -3.941 3.491 -6.918 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -6.014 3.512 -8.128 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -5.791 1.911 -7.451 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -4.443 1.555 -5.463 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -3.793 2.928 -4.535 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -5.536 2.574 -4.497 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -8.112 2.646 -7.215 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -7.353 2.455 -5.617 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -7.580 4.080 -6.305 1.00 0.00 H new ATOM 163 N TRP A 12 -3.524 6.136 -4.502 1.00 0.00 N ATOM 164 CA TRP A 12 -2.290 6.868 -4.239 1.00 0.00 C ATOM 165 C TRP A 12 -1.919 6.803 -2.761 1.00 0.00 C ATOM 166 O TRP A 12 -2.551 6.087 -1.984 1.00 0.00 O ATOM 167 CB TRP A 12 -2.439 8.327 -4.676 1.00 0.00 C ATOM 168 CG TRP A 12 -3.502 9.066 -3.922 1.00 0.00 C ATOM 169 CD1 TRP A 12 -4.848 8.847 -3.981 1.00 0.00 C ATOM 170 CD2 TRP A 12 -3.310 10.142 -2.997 1.00 0.00 C ATOM 171 NE1 TRP A 12 -5.505 9.721 -3.149 1.00 0.00 N ATOM 172 CE2 TRP A 12 -4.583 10.526 -2.533 1.00 0.00 C ATOM 173 CE3 TRP A 12 -2.185 10.819 -2.515 1.00 0.00 C ATOM 174 CZ2 TRP A 12 -4.761 11.555 -1.612 1.00 0.00 C ATOM 175 CZ3 TRP A 12 -2.364 11.840 -1.600 1.00 0.00 C ATOM 176 CH2 TRP A 12 -3.643 12.199 -1.157 1.00 0.00 C ATOM 0 H TRP A 12 -4.128 6.020 -3.688 1.00 0.00 H new ATOM 0 HA TRP A 12 -1.490 6.401 -4.814 1.00 0.00 H new ATOM 0 HB2 TRP A 12 -1.486 8.838 -4.542 1.00 0.00 H new ATOM 0 HB3 TRP A 12 -2.670 8.358 -5.741 1.00 0.00 H new ATOM 0 HD1 TRP A 12 -5.327 8.096 -4.592 1.00 0.00 H new ATOM 0 HE1 TRP A 12 -6.515 9.764 -3.012 1.00 0.00 H new ATOM 0 HE3 TRP A 12 -1.195 10.549 -2.851 1.00 0.00 H new ATOM 0 HZ2 TRP A 12 -5.746 11.835 -1.269 1.00 0.00 H new ATOM 0 HZ3 TRP A 12 -1.503 12.370 -1.220 1.00 0.00 H new ATOM 0 HH2 TRP A 12 -3.749 13.001 -0.441 1.00 0.00 H new ATOM 187 N LEU A 13 -0.892 7.555 -2.380 1.00 0.00 N ATOM 188 CA LEU A 13 -0.437 7.582 -0.995 1.00 0.00 C ATOM 189 C LEU A 13 -0.195 9.013 -0.527 1.00 0.00 C ATOM 190 O LEU A 13 0.264 9.859 -1.295 1.00 0.00 O ATOM 191 CB LEU A 13 0.843 6.759 -0.841 1.00 0.00 C ATOM 192 CG LEU A 13 0.982 6.021 0.491 1.00 0.00 C ATOM 193 CD1 LEU A 13 -0.192 5.075 0.704 1.00 0.00 C ATOM 194 CD2 LEU A 13 2.300 5.262 0.544 1.00 0.00 C ATOM 0 H LEU A 13 -0.359 8.154 -3.011 1.00 0.00 H new ATOM 0 HA LEU A 13 -1.219 7.145 -0.374 1.00 0.00 H new ATOM 0 HB2 LEU A 13 0.887 6.029 -1.649 1.00 0.00 H new ATOM 0 HB3 LEU A 13 1.700 7.422 -0.963 1.00 0.00 H new ATOM 0 HG LEU A 13 0.977 6.757 1.295 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -0.075 4.559 1.657 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -1.121 5.644 0.711 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -0.221 4.343 -0.104 1.00 0.00 H new ATOM 0 HD21 LEU A 13 2.383 4.743 1.499 1.00 0.00 H new ATOM 0 HD22 LEU A 13 2.335 4.536 -0.268 1.00 0.00 H new ATOM 0 HD23 LEU A 13 3.128 5.963 0.440 1.00 0.00 H new ATOM 206 N GLU A 14 -0.506 9.276 0.738 1.00 0.00 N ATOM 207 CA GLU A 14 -0.321 10.604 1.312 1.00 0.00 C ATOM 208 C GLU A 14 0.748 10.579 2.400 1.00 0.00 C ATOM 209 O GLU A 14 0.631 9.848 3.383 1.00 0.00 O ATOM 210 CB GLU A 14 -1.643 11.124 1.883 1.00 0.00 C ATOM 211 CG GLU A 14 -1.505 12.426 2.656 1.00 0.00 C ATOM 212 CD GLU A 14 -2.802 12.856 3.314 1.00 0.00 C ATOM 213 OE1 GLU A 14 -3.071 12.401 4.446 1.00 0.00 O ATOM 214 OE2 GLU A 14 -3.547 13.646 2.698 1.00 0.00 O ATOM 0 H GLU A 14 -0.888 8.587 1.386 1.00 0.00 H new ATOM 0 HA GLU A 14 0.010 11.276 0.520 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -2.349 11.270 1.066 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -2.068 10.365 2.540 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -0.736 12.311 3.420 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -1.168 13.211 1.980 1.00 0.00 H new ATOM 221 N ASP A 15 1.791 11.381 2.213 1.00 0.00 N ATOM 222 CA ASP A 15 2.885 11.454 3.175 1.00 0.00 C ATOM 223 C ASP A 15 3.554 10.091 3.356 1.00 0.00 C ATOM 224 O ASP A 15 4.259 9.863 4.339 1.00 0.00 O ATOM 225 CB ASP A 15 2.376 11.973 4.522 1.00 0.00 C ATOM 226 CG ASP A 15 3.021 13.287 4.916 1.00 0.00 C ATOM 227 OD1 ASP A 15 4.193 13.267 5.349 1.00 0.00 O ATOM 228 OD2 ASP A 15 2.355 14.336 4.793 1.00 0.00 O ATOM 0 H ASP A 15 1.902 11.991 1.403 1.00 0.00 H new ATOM 0 HA ASP A 15 3.629 12.149 2.784 1.00 0.00 H new ATOM 0 HB2 ASP A 15 1.295 12.102 4.473 1.00 0.00 H new ATOM 0 HB3 ASP A 15 2.574 11.229 5.293 1.00 0.00 H new ATOM 233 N GLY A 16 3.333 9.191 2.401 1.00 0.00 N ATOM 234 CA GLY A 16 3.928 7.870 2.474 1.00 0.00 C ATOM 235 C GLY A 16 3.520 7.103 3.717 1.00 0.00 C ATOM 236 O GLY A 16 4.372 6.657 4.485 1.00 0.00 O ATOM 0 H GLY A 16 2.752 9.354 1.578 1.00 0.00 H new ATOM 0 HA2 GLY A 16 3.641 7.299 1.591 1.00 0.00 H new ATOM 0 HA3 GLY A 16 5.014 7.965 2.453 1.00 0.00 H new ATOM 240 N HIS A 17 2.215 6.938 3.912 1.00 0.00 N ATOM 241 CA HIS A 17 1.706 6.206 5.068 1.00 0.00 C ATOM 242 C HIS A 17 0.185 6.062 5.014 1.00 0.00 C ATOM 243 O HIS A 17 -0.369 5.073 5.495 1.00 0.00 O ATOM 244 CB HIS A 17 2.137 6.887 6.372 1.00 0.00 C ATOM 245 CG HIS A 17 1.404 8.157 6.680 1.00 0.00 C ATOM 246 ND1 HIS A 17 1.306 9.209 5.793 1.00 0.00 N ATOM 247 CD2 HIS A 17 0.739 8.545 7.794 1.00 0.00 C ATOM 248 CE1 HIS A 17 0.615 10.188 6.349 1.00 0.00 C ATOM 249 NE2 HIS A 17 0.260 9.810 7.562 1.00 0.00 N ATOM 0 H HIS A 17 1.494 7.299 3.288 1.00 0.00 H new ATOM 0 HA HIS A 17 2.135 5.205 5.040 1.00 0.00 H new ATOM 0 HB2 HIS A 17 1.992 6.189 7.197 1.00 0.00 H new ATOM 0 HB3 HIS A 17 3.204 7.102 6.320 1.00 0.00 H new ATOM 0 HD1 HIS A 17 1.705 9.228 4.854 1.00 0.00 H new ATOM 0 HD2 HIS A 17 0.610 7.967 8.697 1.00 0.00 H new ATOM 0 HE1 HIS A 17 0.381 11.137 5.889 1.00 0.00 H new ATOM 258 N ILE A 18 -0.488 7.047 4.423 1.00 0.00 N ATOM 259 CA ILE A 18 -1.942 7.013 4.308 1.00 0.00 C ATOM 260 C ILE A 18 -2.366 6.613 2.897 1.00 0.00 C ATOM 261 O ILE A 18 -1.867 7.153 1.910 1.00 0.00 O ATOM 262 CB ILE A 18 -2.569 8.378 4.666 1.00 0.00 C ATOM 263 CG1 ILE A 18 -2.301 8.711 6.135 1.00 0.00 C ATOM 264 CG2 ILE A 18 -4.066 8.381 4.381 1.00 0.00 C ATOM 265 CD1 ILE A 18 -3.085 7.854 7.107 1.00 0.00 C ATOM 0 H ILE A 18 -0.051 7.875 4.018 1.00 0.00 H new ATOM 0 HA ILE A 18 -2.303 6.268 5.017 1.00 0.00 H new ATOM 0 HB ILE A 18 -2.107 9.143 4.042 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -1.236 8.592 6.337 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -2.544 9.759 6.311 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -4.484 9.353 4.642 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -4.235 8.185 3.322 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -4.551 7.607 4.975 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -2.843 8.148 8.128 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -4.152 7.991 6.933 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -2.825 6.806 6.960 1.00 0.00 H new ATOM 277 N LEU A 19 -3.290 5.661 2.813 1.00 0.00 N ATOM 278 CA LEU A 19 -3.783 5.183 1.526 1.00 0.00 C ATOM 279 C LEU A 19 -5.235 5.596 1.310 1.00 0.00 C ATOM 280 O LEU A 19 -6.040 5.579 2.240 1.00 0.00 O ATOM 281 CB LEU A 19 -3.660 3.660 1.445 1.00 0.00 C ATOM 282 CG LEU A 19 -4.106 3.043 0.119 1.00 0.00 C ATOM 283 CD1 LEU A 19 -3.327 1.768 -0.164 1.00 0.00 C ATOM 284 CD2 LEU A 19 -5.601 2.763 0.140 1.00 0.00 C ATOM 0 H LEU A 19 -3.713 5.205 3.622 1.00 0.00 H new ATOM 0 HA LEU A 19 -3.175 5.635 0.743 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -2.621 3.385 1.625 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -4.250 3.220 2.249 1.00 0.00 H new ATOM 0 HG LEU A 19 -3.900 3.755 -0.680 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -3.657 1.342 -1.112 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -2.263 1.997 -0.220 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -3.502 1.050 0.637 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -5.902 2.324 -0.811 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -5.830 2.069 0.949 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -6.144 3.695 0.297 1.00 0.00 H new ATOM 296 N HIS A 20 -5.562 5.960 0.075 1.00 0.00 N ATOM 297 CA HIS A 20 -6.921 6.371 -0.268 1.00 0.00 C ATOM 298 C HIS A 20 -7.337 5.769 -1.605 1.00 0.00 C ATOM 299 O HIS A 20 -6.584 5.811 -2.577 1.00 0.00 O ATOM 300 CB HIS A 20 -7.039 7.900 -0.325 1.00 0.00 C ATOM 301 CG HIS A 20 -5.848 8.628 0.220 1.00 0.00 C ATOM 302 ND1 HIS A 20 -4.610 8.602 -0.386 1.00 0.00 N ATOM 303 CD2 HIS A 20 -5.711 9.404 1.320 1.00 0.00 C ATOM 304 CE1 HIS A 20 -3.762 9.330 0.318 1.00 0.00 C ATOM 305 NE2 HIS A 20 -4.405 9.828 1.358 1.00 0.00 N ATOM 0 H HIS A 20 -4.906 5.979 -0.706 1.00 0.00 H new ATOM 0 HA HIS A 20 -7.588 6.004 0.512 1.00 0.00 H new ATOM 0 HB2 HIS A 20 -7.194 8.203 -1.361 1.00 0.00 H new ATOM 0 HB3 HIS A 20 -7.924 8.206 0.232 1.00 0.00 H new ATOM 0 HD1 HIS A 20 -4.384 8.099 -1.244 1.00 0.00 H new ATOM 0 HD2 HIS A 20 -6.484 9.645 2.035 1.00 0.00 H new ATOM 0 HE1 HIS A 20 -2.720 9.491 0.083 1.00 0.00 H new ATOM 314 N ALA A 21 -8.539 5.206 -1.646 1.00 0.00 N ATOM 315 CA ALA A 21 -9.050 4.594 -2.866 1.00 0.00 C ATOM 316 C ALA A 21 -10.555 4.367 -2.781 1.00 0.00 C ATOM 317 O ALA A 21 -11.101 4.152 -1.699 1.00 0.00 O ATOM 318 CB ALA A 21 -8.330 3.282 -3.135 1.00 0.00 C ATOM 0 H ALA A 21 -9.176 5.161 -0.851 1.00 0.00 H new ATOM 0 HA ALA A 21 -8.861 5.278 -3.693 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -8.720 2.834 -4.049 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -7.262 3.470 -3.250 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -8.491 2.601 -2.299 1.00 0.00 H new ATOM 324 N GLU A 22 -11.218 4.414 -3.931 1.00 0.00 N ATOM 325 CA GLU A 22 -12.662 4.211 -3.991 1.00 0.00 C ATOM 326 C GLU A 22 -12.987 2.818 -4.519 1.00 0.00 C ATOM 327 O GLU A 22 -12.956 2.580 -5.726 1.00 0.00 O ATOM 328 CB GLU A 22 -13.320 5.271 -4.882 1.00 0.00 C ATOM 329 CG GLU A 22 -12.545 6.577 -4.970 1.00 0.00 C ATOM 330 CD GLU A 22 -12.591 7.370 -3.679 1.00 0.00 C ATOM 331 OE1 GLU A 22 -13.707 7.690 -3.220 1.00 0.00 O ATOM 332 OE2 GLU A 22 -11.511 7.671 -3.129 1.00 0.00 O ATOM 0 H GLU A 22 -10.779 4.591 -4.835 1.00 0.00 H new ATOM 0 HA GLU A 22 -13.058 4.306 -2.980 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -13.439 4.863 -5.886 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -14.320 5.479 -4.502 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -11.507 6.363 -5.224 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -12.952 7.183 -5.779 1.00 0.00 H new ATOM 339 N CYS A 23 -13.294 1.900 -3.609 1.00 0.00 N ATOM 340 CA CYS A 23 -13.619 0.531 -3.990 1.00 0.00 C ATOM 341 C CYS A 23 -15.128 0.312 -4.015 1.00 0.00 C ATOM 342 O CYS A 23 -15.846 0.768 -3.125 1.00 0.00 O ATOM 343 CB CYS A 23 -12.965 -0.459 -3.024 1.00 0.00 C ATOM 344 SG CYS A 23 -11.225 -0.111 -2.677 1.00 0.00 S ATOM 0 H CYS A 23 -13.325 2.079 -2.605 1.00 0.00 H new ATOM 0 HA CYS A 23 -13.230 0.361 -4.994 1.00 0.00 H new ATOM 0 HB2 CYS A 23 -13.520 -0.455 -2.086 1.00 0.00 H new ATOM 0 HB3 CYS A 23 -13.048 -1.464 -3.439 1.00 0.00 H new ATOM 0 HG CYS A 23 -11.116 1.071 -2.147 1.00 0.00 H new ATOM 350 N GLY A 24 -15.602 -0.389 -5.039 1.00 0.00 N ATOM 351 CA GLY A 24 -17.023 -0.658 -5.161 1.00 0.00 C ATOM 352 C GLY A 24 -17.473 -1.809 -4.283 1.00 0.00 C ATOM 353 O GLY A 24 -16.651 -2.488 -3.668 1.00 0.00 O ATOM 0 H GLY A 24 -15.027 -0.776 -5.787 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -17.583 0.238 -4.895 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -17.259 -0.885 -6.201 1.00 0.00 H new ATOM 357 N ASN A 25 -18.784 -2.030 -4.224 1.00 0.00 N ATOM 358 CA ASN A 25 -19.341 -3.109 -3.414 1.00 0.00 C ATOM 359 C ASN A 25 -19.978 -4.182 -4.294 1.00 0.00 C ATOM 360 O ASN A 25 -20.065 -5.346 -3.903 1.00 0.00 O ATOM 361 CB ASN A 25 -20.375 -2.571 -2.412 1.00 0.00 C ATOM 362 CG ASN A 25 -20.819 -1.150 -2.715 1.00 0.00 C ATOM 363 OD1 ASN A 25 -20.596 -0.236 -1.922 1.00 0.00 O ATOM 364 ND2 ASN A 25 -21.450 -0.960 -3.867 1.00 0.00 N ATOM 0 H ASN A 25 -19.479 -1.477 -4.726 1.00 0.00 H new ATOM 0 HA ASN A 25 -18.518 -3.558 -2.857 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -21.247 -3.225 -2.413 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -19.951 -2.606 -1.408 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -21.771 -0.027 -4.125 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -21.614 -1.747 -4.495 1.00 0.00 H new ATOM 433 N VAL A 31 -17.194 3.221 -3.289 1.00 0.00 N ATOM 434 CA VAL A 31 -17.126 3.680 -1.905 1.00 0.00 C ATOM 435 C VAL A 31 -15.722 4.149 -1.537 1.00 0.00 C ATOM 436 O VAL A 31 -14.742 3.436 -1.751 1.00 0.00 O ATOM 437 CB VAL A 31 -17.549 2.570 -0.924 1.00 0.00 C ATOM 438 CG1 VAL A 31 -17.684 3.126 0.485 1.00 0.00 C ATOM 439 CG2 VAL A 31 -18.847 1.914 -1.376 1.00 0.00 C ATOM 0 HA VAL A 31 -17.817 4.519 -1.824 1.00 0.00 H new ATOM 0 HB VAL A 31 -16.772 1.806 -0.916 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -17.983 2.328 1.164 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -16.727 3.537 0.807 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -18.438 3.913 0.495 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -19.126 1.134 -0.668 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -19.637 2.663 -1.420 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -18.708 1.475 -2.364 1.00 0.00 H new ATOM 449 N GLU A 32 -15.636 5.351 -0.975 1.00 0.00 N ATOM 450 CA GLU A 32 -14.365 5.919 -0.567 1.00 0.00 C ATOM 451 C GLU A 32 -13.840 5.229 0.688 1.00 0.00 C ATOM 452 O GLU A 32 -14.571 5.056 1.663 1.00 0.00 O ATOM 453 CB GLU A 32 -14.531 7.415 -0.309 1.00 0.00 C ATOM 454 CG GLU A 32 -13.224 8.175 -0.344 1.00 0.00 C ATOM 455 CD GLU A 32 -13.419 9.678 -0.296 1.00 0.00 C ATOM 456 OE1 GLU A 32 -14.383 10.132 0.354 1.00 0.00 O ATOM 457 OE2 GLU A 32 -12.606 10.401 -0.910 1.00 0.00 O ATOM 0 H GLU A 32 -16.441 5.951 -0.793 1.00 0.00 H new ATOM 0 HA GLU A 32 -13.642 5.766 -1.368 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -15.207 7.833 -1.055 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -15.002 7.559 0.664 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -12.606 7.866 0.499 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -12.680 7.912 -1.251 1.00 0.00 H new ATOM 464 N SER A 33 -12.571 4.838 0.659 1.00 0.00 N ATOM 465 CA SER A 33 -11.954 4.168 1.798 1.00 0.00 C ATOM 466 C SER A 33 -10.463 4.476 1.868 1.00 0.00 C ATOM 467 O SER A 33 -9.847 4.847 0.868 1.00 0.00 O ATOM 468 CB SER A 33 -12.173 2.657 1.708 1.00 0.00 C ATOM 469 OG SER A 33 -13.404 2.357 1.072 1.00 0.00 O ATOM 0 H SER A 33 -11.950 4.973 -0.139 1.00 0.00 H new ATOM 0 HA SER A 33 -12.426 4.542 2.707 1.00 0.00 H new ATOM 0 HB2 SER A 33 -11.353 2.200 1.154 1.00 0.00 H new ATOM 0 HB3 SER A 33 -12.162 2.225 2.708 1.00 0.00 H new ATOM 0 HG SER A 33 -13.296 1.563 0.507 1.00 0.00 H new ATOM 475 N THR A 34 -9.888 4.320 3.055 1.00 0.00 N ATOM 476 CA THR A 34 -8.468 4.582 3.257 1.00 0.00 C ATOM 477 C THR A 34 -7.852 3.551 4.197 1.00 0.00 C ATOM 478 O THR A 34 -8.534 2.996 5.058 1.00 0.00 O ATOM 479 CB THR A 34 -8.264 5.989 3.819 1.00 0.00 C ATOM 480 OG1 THR A 34 -9.017 6.169 5.005 1.00 0.00 O ATOM 481 CG2 THR A 34 -8.662 7.083 2.852 1.00 0.00 C ATOM 0 H THR A 34 -10.383 4.013 3.892 1.00 0.00 H new ATOM 0 HA THR A 34 -7.969 4.508 2.291 1.00 0.00 H new ATOM 0 HB THR A 34 -7.195 6.070 4.014 1.00 0.00 H new ATOM 0 HG1 THR A 34 -8.872 7.075 5.350 1.00 0.00 H new ATOM 0 HG21 THR A 34 -8.492 8.056 3.313 1.00 0.00 H new ATOM 0 HG22 THR A 34 -8.063 7.002 1.945 1.00 0.00 H new ATOM 0 HG23 THR A 34 -9.718 6.980 2.601 1.00 0.00 H new ATOM 489 N LEU A 35 -6.559 3.301 4.025 1.00 0.00 N ATOM 490 CA LEU A 35 -5.850 2.337 4.858 1.00 0.00 C ATOM 491 C LEU A 35 -4.518 2.906 5.334 1.00 0.00 C ATOM 492 O LEU A 35 -3.801 3.557 4.574 1.00 0.00 O ATOM 493 CB LEU A 35 -5.614 1.039 4.083 1.00 0.00 C ATOM 494 CG LEU A 35 -5.218 -0.164 4.944 1.00 0.00 C ATOM 495 CD1 LEU A 35 -6.350 -1.179 5.001 1.00 0.00 C ATOM 496 CD2 LEU A 35 -3.948 -0.810 4.407 1.00 0.00 C ATOM 0 H LEU A 35 -5.981 3.752 3.316 1.00 0.00 H new ATOM 0 HA LEU A 35 -6.467 2.125 5.731 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -6.522 0.791 3.534 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -4.832 1.211 3.344 1.00 0.00 H new ATOM 0 HG LEU A 35 -5.023 0.189 5.957 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -6.049 -2.026 5.617 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -7.235 -0.713 5.433 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -6.578 -1.527 3.993 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -3.682 -1.663 5.031 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -4.116 -1.147 3.384 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -3.136 -0.083 4.421 1.00 0.00 H new ATOM 508 N ASP A 36 -4.192 2.654 6.597 1.00 0.00 N ATOM 509 CA ASP A 36 -2.945 3.137 7.176 1.00 0.00 C ATOM 510 C ASP A 36 -1.876 2.054 7.133 1.00 0.00 C ATOM 511 O ASP A 36 -2.067 0.956 7.645 1.00 0.00 O ATOM 512 CB ASP A 36 -3.171 3.593 8.619 1.00 0.00 C ATOM 513 CG ASP A 36 -1.918 4.172 9.245 1.00 0.00 C ATOM 514 OD1 ASP A 36 -1.183 4.898 8.542 1.00 0.00 O ATOM 515 OD2 ASP A 36 -1.671 3.901 10.439 1.00 0.00 O ATOM 0 H ASP A 36 -4.775 2.117 7.239 1.00 0.00 H new ATOM 0 HA ASP A 36 -2.601 3.987 6.586 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -3.964 4.341 8.641 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -3.514 2.747 9.215 1.00 0.00 H new ATOM 520 N LEU A 37 -0.753 2.371 6.509 1.00 0.00 N ATOM 521 CA LEU A 37 0.355 1.430 6.402 1.00 0.00 C ATOM 522 C LEU A 37 1.279 1.551 7.599 1.00 0.00 C ATOM 523 O LEU A 37 1.929 0.586 8.001 1.00 0.00 O ATOM 524 CB LEU A 37 1.134 1.671 5.125 1.00 0.00 C ATOM 525 CG LEU A 37 0.289 2.142 3.952 1.00 0.00 C ATOM 526 CD1 LEU A 37 1.025 3.219 3.190 1.00 0.00 C ATOM 527 CD2 LEU A 37 -0.069 0.966 3.063 1.00 0.00 C ATOM 0 H LEU A 37 -0.583 3.274 6.067 1.00 0.00 H new ATOM 0 HA LEU A 37 -0.059 0.422 6.380 1.00 0.00 H new ATOM 0 HB2 LEU A 37 1.908 2.413 5.321 1.00 0.00 H new ATOM 0 HB3 LEU A 37 1.641 0.748 4.844 1.00 0.00 H new ATOM 0 HG LEU A 37 -0.643 2.572 4.320 1.00 0.00 H new ATOM 0 HD11 LEU A 37 0.415 3.553 2.351 1.00 0.00 H new ATOM 0 HD12 LEU A 37 1.224 4.062 3.852 1.00 0.00 H new ATOM 0 HD13 LEU A 37 1.968 2.821 2.817 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -0.674 1.314 2.226 1.00 0.00 H new ATOM 0 HD22 LEU A 37 0.843 0.505 2.684 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -0.634 0.233 3.639 1.00 0.00 H new ATOM 539 N ASP A 38 1.327 2.752 8.171 1.00 0.00 N ATOM 540 CA ASP A 38 2.167 3.011 9.331 1.00 0.00 C ATOM 541 C ASP A 38 1.814 2.065 10.473 1.00 0.00 C ATOM 542 O ASP A 38 2.549 1.962 11.455 1.00 0.00 O ATOM 543 CB ASP A 38 2.012 4.463 9.787 1.00 0.00 C ATOM 544 CG ASP A 38 3.157 4.917 10.671 1.00 0.00 C ATOM 545 OD1 ASP A 38 4.300 4.470 10.439 1.00 0.00 O ATOM 546 OD2 ASP A 38 2.910 5.720 11.595 1.00 0.00 O ATOM 0 H ASP A 38 0.793 3.559 7.848 1.00 0.00 H new ATOM 0 HA ASP A 38 3.205 2.839 9.046 1.00 0.00 H new ATOM 0 HB2 ASP A 38 1.953 5.111 8.913 1.00 0.00 H new ATOM 0 HB3 ASP A 38 1.073 4.572 10.329 1.00 0.00 H new ATOM 551 N TYR A 39 0.685 1.374 10.339 1.00 0.00 N ATOM 552 CA TYR A 39 0.249 0.437 11.368 1.00 0.00 C ATOM 553 C TYR A 39 -0.087 -0.937 10.778 1.00 0.00 C ATOM 554 O TYR A 39 -0.495 -1.846 11.501 1.00 0.00 O ATOM 555 CB TYR A 39 -0.948 1.014 12.136 1.00 0.00 C ATOM 556 CG TYR A 39 -2.301 0.622 11.584 1.00 0.00 C ATOM 557 CD1 TYR A 39 -2.556 0.678 10.223 1.00 0.00 C ATOM 558 CD2 TYR A 39 -3.321 0.199 12.427 1.00 0.00 C ATOM 559 CE1 TYR A 39 -3.792 0.324 9.713 1.00 0.00 C ATOM 560 CE2 TYR A 39 -4.559 -0.157 11.926 1.00 0.00 C ATOM 561 CZ TYR A 39 -4.789 -0.093 10.568 1.00 0.00 C ATOM 562 OH TYR A 39 -6.020 -0.446 10.065 1.00 0.00 O ATOM 0 H TYR A 39 0.061 1.445 9.535 1.00 0.00 H new ATOM 0 HA TYR A 39 1.075 0.293 12.064 1.00 0.00 H new ATOM 0 HB2 TYR A 39 -0.887 0.690 13.175 1.00 0.00 H new ATOM 0 HB3 TYR A 39 -0.872 2.101 12.137 1.00 0.00 H new ATOM 0 HD1 TYR A 39 -1.777 1.003 9.550 1.00 0.00 H new ATOM 0 HD2 TYR A 39 -3.144 0.147 13.491 1.00 0.00 H new ATOM 0 HE1 TYR A 39 -3.975 0.374 8.650 1.00 0.00 H new ATOM 0 HE2 TYR A 39 -5.342 -0.483 12.595 1.00 0.00 H new ATOM 0 HH TYR A 39 -5.982 -1.363 9.722 1.00 0.00 H new ATOM 572 N TYR A 40 0.093 -1.087 9.465 1.00 0.00 N ATOM 573 CA TYR A 40 -0.186 -2.354 8.797 1.00 0.00 C ATOM 574 C TYR A 40 1.079 -2.931 8.162 1.00 0.00 C ATOM 575 O TYR A 40 1.192 -4.143 7.977 1.00 0.00 O ATOM 576 CB TYR A 40 -1.268 -2.168 7.730 1.00 0.00 C ATOM 577 CG TYR A 40 -2.646 -2.616 8.171 1.00 0.00 C ATOM 578 CD1 TYR A 40 -3.025 -2.559 9.507 1.00 0.00 C ATOM 579 CD2 TYR A 40 -3.568 -3.093 7.248 1.00 0.00 C ATOM 580 CE1 TYR A 40 -4.283 -2.967 9.910 1.00 0.00 C ATOM 581 CE2 TYR A 40 -4.828 -3.501 7.644 1.00 0.00 C ATOM 582 CZ TYR A 40 -5.180 -3.436 8.975 1.00 0.00 C ATOM 583 OH TYR A 40 -6.433 -3.841 9.373 1.00 0.00 O ATOM 0 H TYR A 40 0.430 -0.349 8.847 1.00 0.00 H new ATOM 0 HA TYR A 40 -0.544 -3.057 9.549 1.00 0.00 H new ATOM 0 HB2 TYR A 40 -1.311 -1.116 7.449 1.00 0.00 H new ATOM 0 HB3 TYR A 40 -0.984 -2.725 6.837 1.00 0.00 H new ATOM 0 HD1 TYR A 40 -2.325 -2.190 10.242 1.00 0.00 H new ATOM 0 HD2 TYR A 40 -3.296 -3.146 6.204 1.00 0.00 H new ATOM 0 HE1 TYR A 40 -4.561 -2.918 10.952 1.00 0.00 H new ATOM 0 HE2 TYR A 40 -5.533 -3.869 6.914 1.00 0.00 H new ATOM 0 HH TYR A 40 -6.943 -4.143 8.592 1.00 0.00 H new ATOM 593 N ILE A 41 2.026 -2.058 7.827 1.00 0.00 N ATOM 594 CA ILE A 41 3.278 -2.486 7.213 1.00 0.00 C ATOM 595 C ILE A 41 4.478 -2.045 8.048 1.00 0.00 C ATOM 596 O ILE A 41 4.483 -0.956 8.621 1.00 0.00 O ATOM 597 CB ILE A 41 3.418 -1.927 5.781 1.00 0.00 C ATOM 598 CG1 ILE A 41 2.338 -2.521 4.876 1.00 0.00 C ATOM 599 CG2 ILE A 41 4.803 -2.218 5.218 1.00 0.00 C ATOM 600 CD1 ILE A 41 1.831 -1.556 3.829 1.00 0.00 C ATOM 0 H ILE A 41 1.949 -1.051 7.971 1.00 0.00 H new ATOM 0 HA ILE A 41 3.257 -3.575 7.167 1.00 0.00 H new ATOM 0 HB ILE A 41 3.289 -0.845 5.820 1.00 0.00 H new ATOM 0 HG12 ILE A 41 2.737 -3.406 4.380 1.00 0.00 H new ATOM 0 HG13 ILE A 41 1.501 -2.850 5.491 1.00 0.00 H new ATOM 0 HG21 ILE A 41 4.877 -1.814 4.208 1.00 0.00 H new ATOM 0 HG22 ILE A 41 5.558 -1.753 5.851 1.00 0.00 H new ATOM 0 HG23 ILE A 41 4.966 -3.295 5.191 1.00 0.00 H new ATOM 0 HD11 ILE A 41 1.068 -2.044 3.223 1.00 0.00 H new ATOM 0 HD12 ILE A 41 1.402 -0.681 4.318 1.00 0.00 H new ATOM 0 HD13 ILE A 41 2.657 -1.246 3.190 1.00 0.00 H new ATOM 612 N GLY A 42 5.495 -2.899 8.106 1.00 0.00 N ATOM 613 CA GLY A 42 6.688 -2.582 8.869 1.00 0.00 C ATOM 614 C GLY A 42 7.959 -2.763 8.062 1.00 0.00 C ATOM 615 O GLY A 42 7.918 -3.229 6.923 1.00 0.00 O ATOM 0 H GLY A 42 5.514 -3.805 7.638 1.00 0.00 H new ATOM 0 HA2 GLY A 42 6.628 -1.552 9.220 1.00 0.00 H new ATOM 0 HA3 GLY A 42 6.729 -3.218 9.753 1.00 0.00 H new ATOM 619 N ASN A 43 9.090 -2.393 8.653 1.00 0.00 N ATOM 620 CA ASN A 43 10.379 -2.516 7.983 1.00 0.00 C ATOM 621 C ASN A 43 11.114 -3.771 8.445 1.00 0.00 C ATOM 622 O ASN A 43 11.550 -3.860 9.593 1.00 0.00 O ATOM 623 CB ASN A 43 11.237 -1.278 8.252 1.00 0.00 C ATOM 624 CG ASN A 43 12.580 -1.336 7.549 1.00 0.00 C ATOM 625 OD1 ASN A 43 13.004 -2.391 7.079 1.00 0.00 O ATOM 626 ND2 ASN A 43 13.257 -0.196 7.472 1.00 0.00 N ATOM 0 H ASN A 43 9.140 -2.005 9.595 1.00 0.00 H new ATOM 0 HA ASN A 43 10.198 -2.597 6.911 1.00 0.00 H new ATOM 0 HB2 ASN A 43 10.698 -0.389 7.925 1.00 0.00 H new ATOM 0 HB3 ASN A 43 11.397 -1.177 9.326 1.00 0.00 H new ATOM 0 HD21 ASN A 43 14.166 -0.173 7.009 1.00 0.00 H new ATOM 0 HD22 ASN A 43 12.868 0.656 7.876 1.00 0.00 H new ATOM 633 N ASP A 44 11.250 -4.736 7.542 1.00 0.00 N ATOM 634 CA ASP A 44 11.935 -5.985 7.855 1.00 0.00 C ATOM 635 C ASP A 44 13.247 -6.091 7.084 1.00 0.00 C ATOM 636 O ASP A 44 13.261 -6.472 5.914 1.00 0.00 O ATOM 637 CB ASP A 44 11.039 -7.179 7.522 1.00 0.00 C ATOM 638 CG ASP A 44 11.403 -8.415 8.321 1.00 0.00 C ATOM 639 OD1 ASP A 44 12.347 -9.126 7.918 1.00 0.00 O ATOM 640 OD2 ASP A 44 10.743 -8.672 9.350 1.00 0.00 O ATOM 0 H ASP A 44 10.895 -4.677 6.588 1.00 0.00 H new ATOM 0 HA ASP A 44 12.157 -5.992 8.922 1.00 0.00 H new ATOM 0 HB2 ASP A 44 10.000 -6.916 7.718 1.00 0.00 H new ATOM 0 HB3 ASP A 44 11.116 -7.402 6.458 1.00 0.00 H new ATOM 645 N ASP A 45 14.347 -5.751 7.747 1.00 0.00 N ATOM 646 CA ASP A 45 15.663 -5.808 7.122 1.00 0.00 C ATOM 647 C ASP A 45 15.725 -4.885 5.908 1.00 0.00 C ATOM 648 O ASP A 45 16.207 -5.272 4.844 1.00 0.00 O ATOM 649 CB ASP A 45 15.988 -7.243 6.704 1.00 0.00 C ATOM 650 CG ASP A 45 17.399 -7.385 6.170 1.00 0.00 C ATOM 651 OD1 ASP A 45 18.272 -6.591 6.581 1.00 0.00 O ATOM 652 OD2 ASP A 45 17.633 -8.290 5.342 1.00 0.00 O ATOM 0 H ASP A 45 14.353 -5.433 8.716 1.00 0.00 H new ATOM 0 HA ASP A 45 16.402 -5.473 7.850 1.00 0.00 H new ATOM 0 HB2 ASP A 45 15.858 -7.906 7.560 1.00 0.00 H new ATOM 0 HB3 ASP A 45 15.280 -7.565 5.941 1.00 0.00 H new ATOM 657 N GLY A 46 15.231 -3.664 6.077 1.00 0.00 N ATOM 658 CA GLY A 46 15.236 -2.705 4.988 1.00 0.00 C ATOM 659 C GLY A 46 14.267 -3.076 3.880 1.00 0.00 C ATOM 660 O GLY A 46 14.378 -2.579 2.760 1.00 0.00 O ATOM 0 H GLY A 46 14.827 -3.321 6.949 1.00 0.00 H new ATOM 0 HA2 GLY A 46 14.979 -1.719 5.376 1.00 0.00 H new ATOM 0 HA3 GLY A 46 16.243 -2.633 4.576 1.00 0.00 H new ATOM 664 N SER A 47 13.314 -3.950 4.192 1.00 0.00 N ATOM 665 CA SER A 47 12.325 -4.384 3.212 1.00 0.00 C ATOM 666 C SER A 47 10.910 -4.235 3.764 1.00 0.00 C ATOM 667 O SER A 47 10.710 -4.169 4.977 1.00 0.00 O ATOM 668 CB SER A 47 12.577 -5.838 2.811 1.00 0.00 C ATOM 669 OG SER A 47 12.311 -6.041 1.434 1.00 0.00 O ATOM 0 H SER A 47 13.206 -4.371 5.115 1.00 0.00 H new ATOM 0 HA SER A 47 12.421 -3.749 2.331 1.00 0.00 H new ATOM 0 HB2 SER A 47 13.612 -6.104 3.028 1.00 0.00 H new ATOM 0 HB3 SER A 47 11.947 -6.497 3.407 1.00 0.00 H new ATOM 0 HG SER A 47 12.481 -6.978 1.203 1.00 0.00 H new ATOM 675 N PHE A 48 9.933 -4.182 2.866 1.00 0.00 N ATOM 676 CA PHE A 48 8.536 -4.041 3.262 1.00 0.00 C ATOM 677 C PHE A 48 7.991 -5.354 3.815 1.00 0.00 C ATOM 678 O PHE A 48 8.309 -6.431 3.309 1.00 0.00 O ATOM 679 CB PHE A 48 7.692 -3.585 2.071 1.00 0.00 C ATOM 680 CG PHE A 48 7.839 -2.124 1.754 1.00 0.00 C ATOM 681 CD1 PHE A 48 7.617 -1.165 2.729 1.00 0.00 C ATOM 682 CD2 PHE A 48 8.200 -1.710 0.482 1.00 0.00 C ATOM 683 CE1 PHE A 48 7.751 0.180 2.441 1.00 0.00 C ATOM 684 CE2 PHE A 48 8.336 -0.366 0.188 1.00 0.00 C ATOM 685 CZ PHE A 48 8.111 0.580 1.169 1.00 0.00 C ATOM 0 H PHE A 48 10.082 -4.235 1.858 1.00 0.00 H new ATOM 0 HA PHE A 48 8.481 -3.288 4.048 1.00 0.00 H new ATOM 0 HB2 PHE A 48 7.971 -4.168 1.194 1.00 0.00 H new ATOM 0 HB3 PHE A 48 6.643 -3.800 2.276 1.00 0.00 H new ATOM 0 HD1 PHE A 48 7.336 -1.472 3.726 1.00 0.00 H new ATOM 0 HD2 PHE A 48 8.377 -2.446 -0.289 1.00 0.00 H new ATOM 0 HE1 PHE A 48 7.574 0.918 3.210 1.00 0.00 H new ATOM 0 HE2 PHE A 48 8.618 -0.056 -0.807 1.00 0.00 H new ATOM 0 HZ PHE A 48 8.216 1.631 0.942 1.00 0.00 H new ATOM 695 N SER A 49 7.170 -5.257 4.856 1.00 0.00 N ATOM 696 CA SER A 49 6.582 -6.439 5.478 1.00 0.00 C ATOM 697 C SER A 49 5.076 -6.272 5.655 1.00 0.00 C ATOM 698 O SER A 49 4.616 -5.305 6.261 1.00 0.00 O ATOM 699 CB SER A 49 7.239 -6.707 6.833 1.00 0.00 C ATOM 700 OG SER A 49 7.276 -5.532 7.624 1.00 0.00 O ATOM 0 H SER A 49 6.897 -4.373 5.286 1.00 0.00 H new ATOM 0 HA SER A 49 6.759 -7.290 4.820 1.00 0.00 H new ATOM 0 HB2 SER A 49 6.688 -7.486 7.360 1.00 0.00 H new ATOM 0 HB3 SER A 49 8.252 -7.079 6.682 1.00 0.00 H new ATOM 0 HG SER A 49 7.959 -4.923 7.273 1.00 0.00 H new ATOM 706 N TRP A 50 4.314 -7.224 5.125 1.00 0.00 N ATOM 707 CA TRP A 50 2.861 -7.185 5.226 1.00 0.00 C ATOM 708 C TRP A 50 2.405 -7.576 6.628 1.00 0.00 C ATOM 709 O TRP A 50 2.674 -8.685 7.092 1.00 0.00 O ATOM 710 CB TRP A 50 2.234 -8.123 4.193 1.00 0.00 C ATOM 711 CG TRP A 50 2.084 -7.500 2.839 1.00 0.00 C ATOM 712 CD1 TRP A 50 2.641 -7.935 1.671 1.00 0.00 C ATOM 713 CD2 TRP A 50 1.329 -6.327 2.512 1.00 0.00 C ATOM 714 NE1 TRP A 50 2.278 -7.105 0.638 1.00 0.00 N ATOM 715 CE2 TRP A 50 1.473 -6.111 1.129 1.00 0.00 C ATOM 716 CE3 TRP A 50 0.544 -5.440 3.254 1.00 0.00 C ATOM 717 CZ2 TRP A 50 0.862 -5.045 0.474 1.00 0.00 C ATOM 718 CZ3 TRP A 50 -0.062 -4.382 2.603 1.00 0.00 C ATOM 719 CH2 TRP A 50 0.100 -4.192 1.224 1.00 0.00 C ATOM 0 H TRP A 50 4.680 -8.032 4.621 1.00 0.00 H new ATOM 0 HA TRP A 50 2.533 -6.165 5.027 1.00 0.00 H new ATOM 0 HB2 TRP A 50 2.848 -9.019 4.107 1.00 0.00 H new ATOM 0 HB3 TRP A 50 1.254 -8.441 4.549 1.00 0.00 H new ATOM 0 HD1 TRP A 50 3.274 -8.804 1.573 1.00 0.00 H new ATOM 0 HE1 TRP A 50 2.562 -7.212 -0.336 1.00 0.00 H new ATOM 0 HE3 TRP A 50 0.413 -5.579 4.317 1.00 0.00 H new ATOM 0 HZ2 TRP A 50 0.985 -4.897 -0.589 1.00 0.00 H new ATOM 0 HZ3 TRP A 50 -0.671 -3.690 3.166 1.00 0.00 H new ATOM 0 HH2 TRP A 50 -0.386 -3.356 0.744 1.00 0.00 H new ATOM 730 N GLY A 51 1.716 -6.659 7.299 1.00 0.00 N ATOM 731 CA GLY A 51 1.237 -6.929 8.642 1.00 0.00 C ATOM 732 C GLY A 51 2.106 -6.295 9.713 1.00 0.00 C ATOM 733 O GLY A 51 1.961 -6.600 10.896 1.00 0.00 O ATOM 0 H GLY A 51 1.481 -5.735 6.937 1.00 0.00 H new ATOM 0 HA2 GLY A 51 0.217 -6.558 8.741 1.00 0.00 H new ATOM 0 HA3 GLY A 51 1.201 -8.007 8.800 1.00 0.00 H new ATOM 737 N GLY A 52 3.007 -5.407 9.301 1.00 0.00 N ATOM 738 CA GLY A 52 3.881 -4.744 10.250 1.00 0.00 C ATOM 739 C GLY A 52 3.368 -3.373 10.641 1.00 0.00 C ATOM 740 O GLY A 52 2.159 -3.143 10.675 1.00 0.00 O ATOM 0 H GLY A 52 3.146 -5.136 8.328 1.00 0.00 H new ATOM 0 HA2 GLY A 52 3.979 -5.361 11.143 1.00 0.00 H new ATOM 0 HA3 GLY A 52 4.877 -4.648 9.818 1.00 0.00 H new ATOM 744 N GLU A 53 4.286 -2.459 10.935 1.00 0.00 N ATOM 745 CA GLU A 53 3.913 -1.104 11.325 1.00 0.00 C ATOM 746 C GLU A 53 5.149 -0.250 11.587 1.00 0.00 C ATOM 747 O GLU A 53 6.222 -0.768 11.895 1.00 0.00 O ATOM 748 CB GLU A 53 3.025 -1.138 12.568 1.00 0.00 C ATOM 749 CG GLU A 53 3.531 -2.072 13.655 1.00 0.00 C ATOM 750 CD GLU A 53 2.451 -2.447 14.651 1.00 0.00 C ATOM 751 OE1 GLU A 53 1.457 -1.697 14.759 1.00 0.00 O ATOM 752 OE2 GLU A 53 2.598 -3.489 15.322 1.00 0.00 O ATOM 0 H GLU A 53 5.291 -2.631 10.911 1.00 0.00 H new ATOM 0 HA GLU A 53 3.357 -0.655 10.502 1.00 0.00 H new ATOM 0 HB2 GLU A 53 2.946 -0.130 12.975 1.00 0.00 H new ATOM 0 HB3 GLU A 53 2.020 -1.444 12.277 1.00 0.00 H new ATOM 0 HG2 GLU A 53 3.927 -2.978 13.195 1.00 0.00 H new ATOM 0 HG3 GLU A 53 4.357 -1.595 14.183 1.00 0.00 H new ATOM 759 N ASN A 54 4.988 1.064 11.461 1.00 0.00 N ATOM 760 CA ASN A 54 6.087 1.998 11.681 1.00 0.00 C ATOM 761 C ASN A 54 7.172 1.824 10.623 1.00 0.00 C ATOM 762 O ASN A 54 8.347 2.085 10.879 1.00 0.00 O ATOM 763 CB ASN A 54 6.683 1.804 13.077 1.00 0.00 C ATOM 764 CG ASN A 54 5.619 1.706 14.153 1.00 0.00 C ATOM 765 OD1 ASN A 54 5.338 0.488 14.598 1.00 0.00 O flip ATOM 766 ND2 ASN A 54 5.055 2.715 14.578 1.00 0.00 N flip ATOM 0 H ASN A 54 4.105 1.507 11.207 1.00 0.00 H new ATOM 0 HA ASN A 54 5.688 3.009 11.603 1.00 0.00 H new ATOM 0 HB2 ASN A 54 7.290 0.899 13.087 1.00 0.00 H new ATOM 0 HB3 ASN A 54 7.349 2.637 13.303 1.00 0.00 H new ATOM 0 HD21 ASN A 54 5.303 3.632 14.207 1.00 0.00 H new ATOM 0 HD22 ASN A 54 4.340 2.633 15.301 1.00 0.00 H new ATOM 773 N PHE A 55 6.771 1.383 9.434 1.00 0.00 N ATOM 774 CA PHE A 55 7.713 1.179 8.339 1.00 0.00 C ATOM 775 C PHE A 55 8.437 2.479 7.997 1.00 0.00 C ATOM 776 O PHE A 55 9.636 2.481 7.718 1.00 0.00 O ATOM 777 CB PHE A 55 6.984 0.636 7.105 1.00 0.00 C ATOM 778 CG PHE A 55 6.176 1.671 6.371 1.00 0.00 C ATOM 779 CD1 PHE A 55 4.921 2.041 6.827 1.00 0.00 C ATOM 780 CD2 PHE A 55 6.673 2.270 5.226 1.00 0.00 C ATOM 781 CE1 PHE A 55 4.177 2.991 6.152 1.00 0.00 C ATOM 782 CE2 PHE A 55 5.934 3.220 4.547 1.00 0.00 C ATOM 783 CZ PHE A 55 4.684 3.581 5.011 1.00 0.00 C ATOM 0 H PHE A 55 5.802 1.161 9.205 1.00 0.00 H new ATOM 0 HA PHE A 55 8.456 0.448 8.659 1.00 0.00 H new ATOM 0 HB2 PHE A 55 7.717 0.209 6.421 1.00 0.00 H new ATOM 0 HB3 PHE A 55 6.324 -0.175 7.412 1.00 0.00 H new ATOM 0 HD1 PHE A 55 4.520 1.583 7.719 1.00 0.00 H new ATOM 0 HD2 PHE A 55 7.650 1.991 4.859 1.00 0.00 H new ATOM 0 HE1 PHE A 55 3.200 3.271 6.517 1.00 0.00 H new ATOM 0 HE2 PHE A 55 6.333 3.680 3.655 1.00 0.00 H new ATOM 0 HZ PHE A 55 4.104 4.323 4.482 1.00 0.00 H new ATOM 793 N SER A 56 7.697 3.584 8.022 1.00 0.00 N ATOM 794 CA SER A 56 8.262 4.893 7.717 1.00 0.00 C ATOM 795 C SER A 56 9.275 5.313 8.779 1.00 0.00 C ATOM 796 O SER A 56 10.169 6.116 8.512 1.00 0.00 O ATOM 797 CB SER A 56 7.151 5.939 7.614 1.00 0.00 C ATOM 798 OG SER A 56 7.688 7.237 7.426 1.00 0.00 O ATOM 0 H SER A 56 6.703 3.598 8.251 1.00 0.00 H new ATOM 0 HA SER A 56 8.777 4.823 6.759 1.00 0.00 H new ATOM 0 HB2 SER A 56 6.490 5.692 6.783 1.00 0.00 H new ATOM 0 HB3 SER A 56 6.545 5.921 8.520 1.00 0.00 H new ATOM 0 HG SER A 56 6.957 7.887 7.362 1.00 0.00 H new ATOM 804 N GLY A 57 9.130 4.765 9.983 1.00 0.00 N ATOM 805 CA GLY A 57 10.041 5.097 11.065 1.00 0.00 C ATOM 806 C GLY A 57 11.498 4.959 10.664 1.00 0.00 C ATOM 807 O GLY A 57 12.367 5.640 11.209 1.00 0.00 O ATOM 0 H GLY A 57 8.399 4.098 10.228 1.00 0.00 H new ATOM 0 HA2 GLY A 57 9.853 6.120 11.392 1.00 0.00 H new ATOM 0 HA3 GLY A 57 9.839 4.448 11.917 1.00 0.00 H new ATOM 811 N SER A 58 11.763 4.077 9.706 1.00 0.00 N ATOM 812 CA SER A 58 13.122 3.853 9.227 1.00 0.00 C ATOM 813 C SER A 58 13.200 4.022 7.712 1.00 0.00 C ATOM 814 O SER A 58 14.077 3.456 7.059 1.00 0.00 O ATOM 815 CB SER A 58 13.603 2.453 9.624 1.00 0.00 C ATOM 816 OG SER A 58 12.537 1.669 10.131 1.00 0.00 O ATOM 0 H SER A 58 11.054 3.506 9.246 1.00 0.00 H new ATOM 0 HA SER A 58 13.771 4.596 9.691 1.00 0.00 H new ATOM 0 HB2 SER A 58 14.042 1.958 8.758 1.00 0.00 H new ATOM 0 HB3 SER A 58 14.387 2.535 10.376 1.00 0.00 H new ATOM 0 HG SER A 58 12.871 0.781 10.375 1.00 0.00 H new ATOM 822 N ALA A 59 12.278 4.805 7.158 1.00 0.00 N ATOM 823 CA ALA A 59 12.245 5.049 5.722 1.00 0.00 C ATOM 824 C ALA A 59 12.200 6.544 5.422 1.00 0.00 C ATOM 825 O ALA A 59 11.813 7.346 6.272 1.00 0.00 O ATOM 826 CB ALA A 59 11.052 4.342 5.095 1.00 0.00 C ATOM 0 H ALA A 59 11.544 5.281 7.683 1.00 0.00 H new ATOM 0 HA ALA A 59 13.159 4.647 5.286 1.00 0.00 H new ATOM 0 HB1 ALA A 59 11.039 4.532 4.022 1.00 0.00 H new ATOM 0 HB2 ALA A 59 11.130 3.269 5.272 1.00 0.00 H new ATOM 0 HB3 ALA A 59 10.131 4.717 5.541 1.00 0.00 H new ATOM 832 N SER A 60 12.597 6.912 4.208 1.00 0.00 N ATOM 833 CA SER A 60 12.602 8.311 3.798 1.00 0.00 C ATOM 834 C SER A 60 11.986 8.475 2.413 1.00 0.00 C ATOM 835 O SER A 60 12.017 7.553 1.598 1.00 0.00 O ATOM 836 CB SER A 60 14.029 8.862 3.803 1.00 0.00 C ATOM 837 OG SER A 60 14.550 8.917 5.120 1.00 0.00 O ATOM 0 H SER A 60 12.919 6.261 3.492 1.00 0.00 H new ATOM 0 HA SER A 60 12.001 8.874 4.512 1.00 0.00 H new ATOM 0 HB2 SER A 60 14.667 8.233 3.182 1.00 0.00 H new ATOM 0 HB3 SER A 60 14.039 9.859 3.363 1.00 0.00 H new ATOM 0 HG SER A 60 15.464 9.271 5.096 1.00 0.00 H new ATOM 843 N ASN A 61 11.428 9.658 2.156 1.00 0.00 N ATOM 844 CA ASN A 61 10.797 9.965 0.870 1.00 0.00 C ATOM 845 C ASN A 61 10.002 8.775 0.335 1.00 0.00 C ATOM 846 O ASN A 61 10.301 8.245 -0.736 1.00 0.00 O ATOM 847 CB ASN A 61 11.848 10.400 -0.157 1.00 0.00 C ATOM 848 CG ASN A 61 13.115 9.570 -0.088 1.00 0.00 C ATOM 849 OD1 ASN A 61 14.135 10.017 0.437 1.00 0.00 O ATOM 850 ND2 ASN A 61 13.056 8.355 -0.618 1.00 0.00 N ATOM 0 H ASN A 61 11.400 10.426 2.827 1.00 0.00 H new ATOM 0 HA ASN A 61 10.101 10.787 1.036 1.00 0.00 H new ATOM 0 HB2 ASN A 61 11.424 10.325 -1.158 1.00 0.00 H new ATOM 0 HB3 ASN A 61 12.097 11.449 0.006 1.00 0.00 H new ATOM 0 HD21 ASN A 61 13.877 7.750 -0.600 1.00 0.00 H new ATOM 0 HD22 ASN A 61 12.189 8.026 -1.043 1.00 0.00 H new ATOM 857 N ILE A 62 8.989 8.364 1.088 1.00 0.00 N ATOM 858 CA ILE A 62 8.149 7.239 0.692 1.00 0.00 C ATOM 859 C ILE A 62 7.005 7.707 -0.202 1.00 0.00 C ATOM 860 O ILE A 62 6.222 8.577 0.181 1.00 0.00 O ATOM 861 CB ILE A 62 7.562 6.508 1.917 1.00 0.00 C ATOM 862 CG1 ILE A 62 8.594 6.429 3.046 1.00 0.00 C ATOM 863 CG2 ILE A 62 7.090 5.115 1.527 1.00 0.00 C ATOM 864 CD1 ILE A 62 8.078 5.733 4.287 1.00 0.00 C ATOM 0 H ILE A 62 8.729 8.792 1.976 1.00 0.00 H new ATOM 0 HA ILE A 62 8.785 6.546 0.142 1.00 0.00 H new ATOM 0 HB ILE A 62 6.705 7.076 2.278 1.00 0.00 H new ATOM 0 HG12 ILE A 62 9.477 5.902 2.684 1.00 0.00 H new ATOM 0 HG13 ILE A 62 8.910 7.438 3.310 1.00 0.00 H new ATOM 0 HG21 ILE A 62 6.678 4.612 2.402 1.00 0.00 H new ATOM 0 HG22 ILE A 62 6.321 5.193 0.758 1.00 0.00 H new ATOM 0 HG23 ILE A 62 7.932 4.540 1.141 1.00 0.00 H new ATOM 0 HD11 ILE A 62 8.861 5.713 5.045 1.00 0.00 H new ATOM 0 HD12 ILE A 62 7.213 6.272 4.673 1.00 0.00 H new ATOM 0 HD13 ILE A 62 7.788 4.712 4.038 1.00 0.00 H new ATOM 876 N THR A 63 6.914 7.130 -1.397 1.00 0.00 N ATOM 877 CA THR A 63 5.865 7.497 -2.342 1.00 0.00 C ATOM 878 C THR A 63 5.337 6.273 -3.084 1.00 0.00 C ATOM 879 O THR A 63 6.009 5.245 -3.166 1.00 0.00 O ATOM 880 CB THR A 63 6.392 8.526 -3.344 1.00 0.00 C ATOM 881 OG1 THR A 63 7.780 8.348 -3.561 1.00 0.00 O ATOM 882 CG2 THR A 63 6.177 9.957 -2.901 1.00 0.00 C ATOM 0 H THR A 63 7.552 6.409 -1.733 1.00 0.00 H new ATOM 0 HA THR A 63 5.042 7.934 -1.776 1.00 0.00 H new ATOM 0 HB THR A 63 5.824 8.356 -4.259 1.00 0.00 H new ATOM 0 HG1 THR A 63 8.098 9.014 -4.206 1.00 0.00 H new ATOM 0 HG21 THR A 63 6.573 10.635 -3.657 1.00 0.00 H new ATOM 0 HG22 THR A 63 5.111 10.141 -2.772 1.00 0.00 H new ATOM 0 HG23 THR A 63 6.692 10.126 -1.955 1.00 0.00 H new ATOM 890 N LEU A 64 4.128 6.394 -3.625 1.00 0.00 N ATOM 891 CA LEU A 64 3.504 5.301 -4.363 1.00 0.00 C ATOM 892 C LEU A 64 3.510 5.585 -5.863 1.00 0.00 C ATOM 893 O LEU A 64 3.086 6.653 -6.304 1.00 0.00 O ATOM 894 CB LEU A 64 2.070 5.086 -3.875 1.00 0.00 C ATOM 895 CG LEU A 64 1.274 4.033 -4.649 1.00 0.00 C ATOM 896 CD1 LEU A 64 1.826 2.641 -4.381 1.00 0.00 C ATOM 897 CD2 LEU A 64 -0.202 4.106 -4.284 1.00 0.00 C ATOM 0 H LEU A 64 3.560 7.239 -3.566 1.00 0.00 H new ATOM 0 HA LEU A 64 4.081 4.394 -4.183 1.00 0.00 H new ATOM 0 HB2 LEU A 64 2.099 4.798 -2.824 1.00 0.00 H new ATOM 0 HB3 LEU A 64 1.537 6.035 -3.930 1.00 0.00 H new ATOM 0 HG LEU A 64 1.374 4.240 -5.715 1.00 0.00 H new ATOM 0 HD11 LEU A 64 1.247 1.906 -4.940 1.00 0.00 H new ATOM 0 HD12 LEU A 64 2.869 2.596 -4.695 1.00 0.00 H new ATOM 0 HD13 LEU A 64 1.758 2.422 -3.315 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -0.753 3.350 -4.844 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -0.322 3.926 -3.216 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -0.589 5.094 -4.531 1.00 0.00 H new ATOM 909 N ASP A 65 3.993 4.621 -6.641 1.00 0.00 N ATOM 910 CA ASP A 65 4.055 4.768 -8.092 1.00 0.00 C ATOM 911 C ASP A 65 3.413 3.572 -8.790 1.00 0.00 C ATOM 912 O ASP A 65 3.364 2.472 -8.241 1.00 0.00 O ATOM 913 CB ASP A 65 5.507 4.920 -8.547 1.00 0.00 C ATOM 914 CG ASP A 65 5.637 5.783 -9.786 1.00 0.00 C ATOM 915 OD1 ASP A 65 5.012 5.446 -10.814 1.00 0.00 O ATOM 916 OD2 ASP A 65 6.363 6.798 -9.729 1.00 0.00 O ATOM 0 H ASP A 65 4.347 3.730 -6.292 1.00 0.00 H new ATOM 0 HA ASP A 65 3.499 5.665 -8.365 1.00 0.00 H new ATOM 0 HB2 ASP A 65 6.094 5.358 -7.740 1.00 0.00 H new ATOM 0 HB3 ASP A 65 5.927 3.934 -8.748 1.00 0.00 H new ATOM 921 N ILE A 66 2.923 3.797 -10.006 1.00 0.00 N ATOM 922 CA ILE A 66 2.287 2.744 -10.784 1.00 0.00 C ATOM 923 C ILE A 66 3.328 1.932 -11.552 1.00 0.00 C ATOM 924 O ILE A 66 4.337 2.470 -12.008 1.00 0.00 O ATOM 925 CB ILE A 66 1.250 3.334 -11.769 1.00 0.00 C ATOM 926 CG1 ILE A 66 -0.059 3.642 -11.036 1.00 0.00 C ATOM 927 CG2 ILE A 66 0.999 2.391 -12.938 1.00 0.00 C ATOM 928 CD1 ILE A 66 -0.837 2.407 -10.633 1.00 0.00 C ATOM 0 H ILE A 66 2.956 4.703 -10.473 1.00 0.00 H new ATOM 0 HA ILE A 66 1.771 2.084 -10.087 1.00 0.00 H new ATOM 0 HB ILE A 66 1.655 4.262 -12.172 1.00 0.00 H new ATOM 0 HG12 ILE A 66 0.164 4.227 -10.144 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -0.686 4.263 -11.676 1.00 0.00 H new ATOM 0 HG21 ILE A 66 0.266 2.834 -13.612 1.00 0.00 H new ATOM 0 HG22 ILE A 66 1.932 2.223 -13.476 1.00 0.00 H new ATOM 0 HG23 ILE A 66 0.619 1.440 -12.564 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -1.751 2.704 -10.119 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -1.092 1.831 -11.523 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -0.229 1.795 -9.967 1.00 0.00 H new ATOM 940 N GLU A 67 3.074 0.635 -11.690 1.00 0.00 N ATOM 941 CA GLU A 67 3.986 -0.253 -12.402 1.00 0.00 C ATOM 942 C GLU A 67 3.222 -1.369 -13.106 1.00 0.00 C ATOM 943 O GLU A 67 2.337 -1.994 -12.521 1.00 0.00 O ATOM 944 CB GLU A 67 5.008 -0.851 -11.434 1.00 0.00 C ATOM 945 CG GLU A 67 6.329 -1.215 -12.091 1.00 0.00 C ATOM 946 CD GLU A 67 6.444 -2.698 -12.387 1.00 0.00 C ATOM 947 OE1 GLU A 67 5.964 -3.506 -11.565 1.00 0.00 O ATOM 948 OE2 GLU A 67 7.014 -3.050 -13.441 1.00 0.00 O ATOM 0 H GLU A 67 2.243 0.175 -11.318 1.00 0.00 H new ATOM 0 HA GLU A 67 4.510 0.335 -13.156 1.00 0.00 H new ATOM 0 HB2 GLU A 67 5.196 -0.138 -10.631 1.00 0.00 H new ATOM 0 HB3 GLU A 67 4.582 -1.743 -10.975 1.00 0.00 H new ATOM 0 HG2 GLU A 67 6.436 -0.654 -13.019 1.00 0.00 H new ATOM 0 HG3 GLU A 67 7.150 -0.913 -11.440 1.00 0.00 H new ATOM 955 N GLY A 68 3.569 -1.615 -14.365 1.00 0.00 N ATOM 956 CA GLY A 68 2.907 -2.656 -15.128 1.00 0.00 C ATOM 957 C GLY A 68 1.722 -2.135 -15.918 1.00 0.00 C ATOM 958 O GLY A 68 1.129 -1.117 -15.562 1.00 0.00 O ATOM 0 H GLY A 68 4.298 -1.111 -14.871 1.00 0.00 H new ATOM 0 HA2 GLY A 68 3.623 -3.111 -15.812 1.00 0.00 H new ATOM 0 HA3 GLY A 68 2.571 -3.440 -14.450 1.00 0.00 H new ATOM 962 N ASP A 69 1.378 -2.836 -16.993 1.00 0.00 N ATOM 963 CA ASP A 69 0.256 -2.441 -17.838 1.00 0.00 C ATOM 964 C ASP A 69 -1.073 -2.585 -17.098 1.00 0.00 C ATOM 965 O ASP A 69 -2.095 -2.054 -17.534 1.00 0.00 O ATOM 966 CB ASP A 69 0.236 -3.282 -19.117 1.00 0.00 C ATOM 967 CG ASP A 69 0.783 -2.528 -20.313 1.00 0.00 C ATOM 968 OD1 ASP A 69 0.677 -1.284 -20.330 1.00 0.00 O ATOM 969 OD2 ASP A 69 1.317 -3.182 -21.234 1.00 0.00 O ATOM 0 H ASP A 69 1.860 -3.681 -17.300 1.00 0.00 H new ATOM 0 HA ASP A 69 0.387 -1.391 -18.100 1.00 0.00 H new ATOM 0 HB2 ASP A 69 0.823 -4.187 -18.962 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -0.787 -3.597 -19.326 1.00 0.00 H new ATOM 974 N ASP A 70 -1.056 -3.304 -15.978 1.00 0.00 N ATOM 975 CA ASP A 70 -2.263 -3.511 -15.186 1.00 0.00 C ATOM 976 C ASP A 70 -2.478 -2.371 -14.191 1.00 0.00 C ATOM 977 O ASP A 70 -3.534 -2.274 -13.567 1.00 0.00 O ATOM 978 CB ASP A 70 -2.182 -4.844 -14.439 1.00 0.00 C ATOM 979 CG ASP A 70 -2.754 -5.994 -15.244 1.00 0.00 C ATOM 980 OD1 ASP A 70 -3.948 -5.930 -15.605 1.00 0.00 O ATOM 981 OD2 ASP A 70 -2.009 -6.959 -15.513 1.00 0.00 O ATOM 0 H ASP A 70 -0.221 -3.752 -15.600 1.00 0.00 H new ATOM 0 HA ASP A 70 -3.112 -3.530 -15.870 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -1.141 -5.058 -14.195 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -2.721 -4.762 -13.495 1.00 0.00 H new ATOM 986 N ASN A 71 -1.472 -1.512 -14.044 1.00 0.00 N ATOM 987 CA ASN A 71 -1.557 -0.385 -13.122 1.00 0.00 C ATOM 988 C ASN A 71 -1.622 -0.872 -11.683 1.00 0.00 C ATOM 989 O ASN A 71 -2.673 -0.825 -11.044 1.00 0.00 O ATOM 990 CB ASN A 71 -2.778 0.481 -13.439 1.00 0.00 C ATOM 991 CG ASN A 71 -2.848 0.869 -14.902 1.00 0.00 C ATOM 992 OD1 ASN A 71 -3.557 0.073 -15.693 1.00 0.00 O flip ATOM 993 ND2 ASN A 71 -2.272 1.875 -15.318 1.00 0.00 N flip ATOM 0 H ASN A 71 -0.590 -1.576 -14.552 1.00 0.00 H new ATOM 0 HA ASN A 71 -0.659 0.220 -13.245 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -3.684 -0.060 -13.166 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -2.749 1.383 -12.828 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -1.738 2.459 -14.675 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -2.329 2.124 -16.305 1.00 0.00 H new ATOM 1000 N ILE A 72 -0.489 -1.344 -11.182 1.00 0.00 N ATOM 1001 CA ILE A 72 -0.411 -1.845 -9.818 1.00 0.00 C ATOM 1002 C ILE A 72 0.315 -0.853 -8.910 1.00 0.00 C ATOM 1003 O ILE A 72 1.490 -0.557 -9.121 1.00 0.00 O ATOM 1004 CB ILE A 72 0.311 -3.205 -9.755 1.00 0.00 C ATOM 1005 CG1 ILE A 72 0.090 -4.000 -11.045 1.00 0.00 C ATOM 1006 CG2 ILE A 72 -0.177 -3.996 -8.556 1.00 0.00 C ATOM 1007 CD1 ILE A 72 -1.359 -4.361 -11.291 1.00 0.00 C ATOM 0 H ILE A 72 0.388 -1.390 -11.700 1.00 0.00 H new ATOM 0 HA ILE A 72 -1.436 -1.973 -9.470 1.00 0.00 H new ATOM 0 HB ILE A 72 1.381 -3.024 -9.649 1.00 0.00 H new ATOM 0 HG12 ILE A 72 0.459 -3.418 -11.889 1.00 0.00 H new ATOM 0 HG13 ILE A 72 0.682 -4.914 -11.005 1.00 0.00 H new ATOM 0 HG21 ILE A 72 0.338 -4.956 -8.519 1.00 0.00 H new ATOM 0 HG22 ILE A 72 0.030 -3.438 -7.643 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -1.250 -4.164 -8.643 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -1.441 -4.923 -12.221 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -1.727 -4.970 -10.466 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -1.954 -3.450 -11.363 1.00 0.00 H new ATOM 1019 N PRO A 73 -0.376 -0.323 -7.883 1.00 0.00 N ATOM 1020 CA PRO A 73 0.217 0.639 -6.946 1.00 0.00 C ATOM 1021 C PRO A 73 1.380 0.042 -6.161 1.00 0.00 C ATOM 1022 O PRO A 73 1.178 -0.711 -5.209 1.00 0.00 O ATOM 1023 CB PRO A 73 -0.939 0.994 -6.004 1.00 0.00 C ATOM 1024 CG PRO A 73 -1.907 -0.130 -6.138 1.00 0.00 C ATOM 1025 CD PRO A 73 -1.782 -0.616 -7.553 1.00 0.00 C ATOM 0 HA PRO A 73 0.635 1.501 -7.465 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -0.593 1.096 -4.976 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -1.396 1.944 -6.282 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -1.680 -0.927 -5.430 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -2.923 0.203 -5.928 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -2.002 -1.680 -7.635 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -2.470 -0.096 -8.220 1.00 0.00 H new ATOM 1033 N VAL A 74 2.599 0.385 -6.566 1.00 0.00 N ATOM 1034 CA VAL A 74 3.796 -0.116 -5.900 1.00 0.00 C ATOM 1035 C VAL A 74 4.455 0.972 -5.058 1.00 0.00 C ATOM 1036 O VAL A 74 4.897 1.994 -5.582 1.00 0.00 O ATOM 1037 CB VAL A 74 4.823 -0.654 -6.917 1.00 0.00 C ATOM 1038 CG1 VAL A 74 5.998 -1.303 -6.201 1.00 0.00 C ATOM 1039 CG2 VAL A 74 4.165 -1.636 -7.874 1.00 0.00 C ATOM 0 H VAL A 74 2.784 1.008 -7.352 1.00 0.00 H new ATOM 0 HA VAL A 74 3.477 -0.931 -5.250 1.00 0.00 H new ATOM 0 HB VAL A 74 5.202 0.186 -7.499 1.00 0.00 H new ATOM 0 HG11 VAL A 74 6.711 -1.676 -6.936 1.00 0.00 H new ATOM 0 HG12 VAL A 74 6.487 -0.567 -5.563 1.00 0.00 H new ATOM 0 HG13 VAL A 74 5.639 -2.132 -5.590 1.00 0.00 H new ATOM 0 HG21 VAL A 74 4.906 -2.004 -8.584 1.00 0.00 H new ATOM 0 HG22 VAL A 74 3.755 -2.474 -7.310 1.00 0.00 H new ATOM 0 HG23 VAL A 74 3.362 -1.135 -8.415 1.00 0.00 H new ATOM 1049 N LEU A 75 4.519 0.743 -3.750 1.00 0.00 N ATOM 1050 CA LEU A 75 5.127 1.704 -2.835 1.00 0.00 C ATOM 1051 C LEU A 75 6.639 1.514 -2.782 1.00 0.00 C ATOM 1052 O LEU A 75 7.127 0.455 -2.389 1.00 0.00 O ATOM 1053 CB LEU A 75 4.531 1.556 -1.434 1.00 0.00 C ATOM 1054 CG LEU A 75 5.096 2.512 -0.381 1.00 0.00 C ATOM 1055 CD1 LEU A 75 5.022 3.951 -0.870 1.00 0.00 C ATOM 1056 CD2 LEU A 75 4.351 2.352 0.936 1.00 0.00 C ATOM 0 H LEU A 75 4.158 -0.098 -3.300 1.00 0.00 H new ATOM 0 HA LEU A 75 4.916 2.707 -3.204 1.00 0.00 H new ATOM 0 HB2 LEU A 75 3.453 1.707 -1.497 1.00 0.00 H new ATOM 0 HB3 LEU A 75 4.690 0.532 -1.095 1.00 0.00 H new ATOM 0 HG LEU A 75 6.144 2.263 -0.215 1.00 0.00 H new ATOM 0 HD11 LEU A 75 5.428 4.616 -0.108 1.00 0.00 H new ATOM 0 HD12 LEU A 75 5.602 4.054 -1.787 1.00 0.00 H new ATOM 0 HD13 LEU A 75 3.983 4.216 -1.066 1.00 0.00 H new ATOM 0 HD21 LEU A 75 4.765 3.039 1.674 1.00 0.00 H new ATOM 0 HD22 LEU A 75 3.295 2.574 0.786 1.00 0.00 H new ATOM 0 HD23 LEU A 75 4.459 1.328 1.293 1.00 0.00 H new ATOM 1068 N ARG A 76 7.373 2.545 -3.184 1.00 0.00 N ATOM 1069 CA ARG A 76 8.831 2.492 -3.187 1.00 0.00 C ATOM 1070 C ARG A 76 9.420 3.511 -2.217 1.00 0.00 C ATOM 1071 O ARG A 76 9.020 4.676 -2.206 1.00 0.00 O ATOM 1072 CB ARG A 76 9.367 2.748 -4.596 1.00 0.00 C ATOM 1073 CG ARG A 76 9.368 1.512 -5.481 1.00 0.00 C ATOM 1074 CD ARG A 76 9.418 1.881 -6.956 1.00 0.00 C ATOM 1075 NE ARG A 76 8.427 1.147 -7.739 1.00 0.00 N ATOM 1076 CZ ARG A 76 8.597 -0.102 -8.168 1.00 0.00 C ATOM 1077 NH1 ARG A 76 9.716 -0.761 -7.891 1.00 0.00 N ATOM 1078 NH2 ARG A 76 7.645 -0.695 -8.876 1.00 0.00 N ATOM 0 H ARG A 76 6.983 3.428 -3.512 1.00 0.00 H new ATOM 0 HA ARG A 76 9.131 1.495 -2.863 1.00 0.00 H new ATOM 0 HB2 ARG A 76 8.764 3.523 -5.070 1.00 0.00 H new ATOM 0 HB3 ARG A 76 10.384 3.134 -4.524 1.00 0.00 H new ATOM 0 HG2 ARG A 76 10.225 0.886 -5.232 1.00 0.00 H new ATOM 0 HG3 ARG A 76 8.474 0.921 -5.283 1.00 0.00 H new ATOM 0 HD2 ARG A 76 9.247 2.952 -7.068 1.00 0.00 H new ATOM 0 HD3 ARG A 76 10.414 1.675 -7.347 1.00 0.00 H new ATOM 0 HE ARG A 76 7.553 1.619 -7.971 1.00 0.00 H new ATOM 0 HH11 ARG A 76 10.452 -0.311 -7.347 1.00 0.00 H new ATOM 0 HH12 ARG A 76 9.840 -1.718 -8.223 1.00 0.00 H new ATOM 0 HH21 ARG A 76 6.783 -0.194 -9.092 1.00 0.00 H new ATOM 0 HH22 ARG A 76 7.775 -1.652 -9.205 1.00 0.00 H new ATOM 1092 N ALA A 77 10.373 3.066 -1.404 1.00 0.00 N ATOM 1093 CA ALA A 77 11.017 3.940 -0.432 1.00 0.00 C ATOM 1094 C ALA A 77 12.285 3.303 0.128 1.00 0.00 C ATOM 1095 O ALA A 77 12.390 2.079 0.217 1.00 0.00 O ATOM 1096 CB ALA A 77 10.052 4.278 0.694 1.00 0.00 C ATOM 0 H ALA A 77 10.716 2.105 -1.400 1.00 0.00 H new ATOM 0 HA ALA A 77 11.301 4.861 -0.942 1.00 0.00 H new ATOM 0 HB1 ALA A 77 10.546 4.931 1.413 1.00 0.00 H new ATOM 0 HB2 ALA A 77 9.178 4.784 0.284 1.00 0.00 H new ATOM 0 HB3 ALA A 77 9.739 3.361 1.193 1.00 0.00 H new ATOM 1102 N GLU A 78 13.245 4.141 0.507 1.00 0.00 N ATOM 1103 CA GLU A 78 14.505 3.660 1.062 1.00 0.00 C ATOM 1104 C GLU A 78 14.339 3.287 2.532 1.00 0.00 C ATOM 1105 O GLU A 78 14.185 4.156 3.389 1.00 0.00 O ATOM 1106 CB GLU A 78 15.592 4.726 0.913 1.00 0.00 C ATOM 1107 CG GLU A 78 15.273 6.025 1.634 1.00 0.00 C ATOM 1108 CD GLU A 78 16.244 6.324 2.760 1.00 0.00 C ATOM 1109 OE1 GLU A 78 16.216 5.599 3.776 1.00 0.00 O ATOM 1110 OE2 GLU A 78 17.032 7.284 2.625 1.00 0.00 O ATOM 0 H GLU A 78 13.174 5.156 0.440 1.00 0.00 H new ATOM 0 HA GLU A 78 14.804 2.769 0.509 1.00 0.00 H new ATOM 0 HB2 GLU A 78 16.533 4.330 1.295 1.00 0.00 H new ATOM 0 HB3 GLU A 78 15.741 4.935 -0.146 1.00 0.00 H new ATOM 0 HG2 GLU A 78 15.290 6.847 0.918 1.00 0.00 H new ATOM 0 HG3 GLU A 78 14.261 5.973 2.036 1.00 0.00 H new ATOM 1117 N LEU A 79 14.365 1.989 2.815 1.00 0.00 N ATOM 1118 CA LEU A 79 14.210 1.501 4.181 1.00 0.00 C ATOM 1119 C LEU A 79 15.564 1.298 4.853 1.00 0.00 C ATOM 1120 O LEU A 79 16.565 1.025 4.191 1.00 0.00 O ATOM 1121 CB LEU A 79 13.429 0.186 4.187 1.00 0.00 C ATOM 1122 CG LEU A 79 11.920 0.326 3.988 1.00 0.00 C ATOM 1123 CD1 LEU A 79 11.317 -0.998 3.544 1.00 0.00 C ATOM 1124 CD2 LEU A 79 11.258 0.814 5.268 1.00 0.00 C ATOM 0 H LEU A 79 14.492 1.256 2.117 1.00 0.00 H new ATOM 0 HA LEU A 79 13.657 2.254 4.743 1.00 0.00 H new ATOM 0 HB2 LEU A 79 13.825 -0.457 3.401 1.00 0.00 H new ATOM 0 HB3 LEU A 79 13.609 -0.321 5.135 1.00 0.00 H new ATOM 0 HG LEU A 79 11.741 1.064 3.206 1.00 0.00 H new ATOM 0 HD11 LEU A 79 10.242 -0.880 3.407 1.00 0.00 H new ATOM 0 HD12 LEU A 79 11.771 -1.307 2.603 1.00 0.00 H new ATOM 0 HD13 LEU A 79 11.505 -1.756 4.304 1.00 0.00 H new ATOM 0 HD21 LEU A 79 10.184 0.908 5.109 1.00 0.00 H new ATOM 0 HD22 LEU A 79 11.445 0.099 6.070 1.00 0.00 H new ATOM 0 HD23 LEU A 79 11.670 1.785 5.544 1.00 0.00 H new ATOM 1136 N ASN A 80 15.582 1.425 6.177 1.00 0.00 N ATOM 1137 CA ASN A 80 16.806 1.249 6.949 1.00 0.00 C ATOM 1138 C ASN A 80 16.851 -0.148 7.568 1.00 0.00 C ATOM 1139 O ASN A 80 16.120 -0.436 8.516 1.00 0.00 O ATOM 1140 CB ASN A 80 16.894 2.308 8.050 1.00 0.00 C ATOM 1141 CG ASN A 80 17.530 3.596 7.566 1.00 0.00 C ATOM 1142 OD1 ASN A 80 18.686 3.885 7.874 1.00 0.00 O ATOM 1143 ND2 ASN A 80 16.775 4.378 6.804 1.00 0.00 N ATOM 0 H ASN A 80 14.760 1.650 6.738 1.00 0.00 H new ATOM 0 HA ASN A 80 17.656 1.363 6.277 1.00 0.00 H new ATOM 0 HB2 ASN A 80 15.893 2.520 8.427 1.00 0.00 H new ATOM 0 HB3 ASN A 80 17.472 1.912 8.885 1.00 0.00 H new ATOM 0 HD21 ASN A 80 17.148 5.258 6.449 1.00 0.00 H new ATOM 0 HD22 ASN A 80 15.821 4.099 6.574 1.00 0.00 H new ATOM 1150 N PRO A 81 17.708 -1.040 7.040 1.00 0.00 N ATOM 1151 CA PRO A 81 17.832 -2.407 7.551 1.00 0.00 C ATOM 1152 C PRO A 81 18.588 -2.467 8.873 1.00 0.00 C ATOM 1153 O PRO A 81 19.227 -1.497 9.280 1.00 0.00 O ATOM 1154 CB PRO A 81 18.619 -3.120 6.453 1.00 0.00 C ATOM 1155 CG PRO A 81 19.443 -2.049 5.829 1.00 0.00 C ATOM 1156 CD PRO A 81 18.620 -0.791 5.907 1.00 0.00 C ATOM 0 HA PRO A 81 16.861 -2.855 7.761 1.00 0.00 H new ATOM 0 HB2 PRO A 81 19.244 -3.913 6.864 1.00 0.00 H new ATOM 0 HB3 PRO A 81 17.953 -3.584 5.725 1.00 0.00 H new ATOM 0 HG2 PRO A 81 20.390 -1.929 6.356 1.00 0.00 H new ATOM 0 HG3 PRO A 81 19.683 -2.294 4.794 1.00 0.00 H new ATOM 0 HD2 PRO A 81 19.244 0.086 6.080 1.00 0.00 H new ATOM 0 HD3 PRO A 81 18.071 -0.614 4.982 1.00 0.00 H new ATOM 1164 N MET A 82 18.512 -3.614 9.537 1.00 0.00 N ATOM 1165 CA MET A 82 19.189 -3.807 10.814 1.00 0.00 C ATOM 1166 C MET A 82 20.681 -4.056 10.610 1.00 0.00 C ATOM 1167 O MET A 82 21.484 -3.846 11.519 1.00 0.00 O ATOM 1168 CB MET A 82 18.564 -4.979 11.574 1.00 0.00 C ATOM 1169 CG MET A 82 18.451 -6.249 10.747 1.00 0.00 C ATOM 1170 SD MET A 82 18.479 -7.741 11.759 1.00 0.00 S ATOM 1171 CE MET A 82 20.031 -7.531 12.629 1.00 0.00 C ATOM 0 H MET A 82 17.987 -4.426 9.212 1.00 0.00 H new ATOM 0 HA MET A 82 19.069 -2.896 11.400 1.00 0.00 H new ATOM 0 HB2 MET A 82 19.162 -5.185 12.462 1.00 0.00 H new ATOM 0 HB3 MET A 82 17.571 -4.690 11.918 1.00 0.00 H new ATOM 0 HG2 MET A 82 17.526 -6.222 10.172 1.00 0.00 H new ATOM 0 HG3 MET A 82 19.271 -6.285 10.030 1.00 0.00 H new ATOM 0 HE1 MET A 82 20.550 -8.488 12.683 1.00 0.00 H new ATOM 0 HE2 MET A 82 20.652 -6.811 12.096 1.00 0.00 H new ATOM 0 HE3 MET A 82 19.836 -7.166 13.638 1.00 0.00 H new ATOM 1181 N ASP A 83 21.047 -4.505 9.412 1.00 0.00 N ATOM 1182 CA ASP A 83 22.443 -4.781 9.094 1.00 0.00 C ATOM 1183 C ASP A 83 23.204 -3.488 8.822 1.00 0.00 C ATOM 1184 O ASP A 83 24.404 -3.396 9.081 1.00 0.00 O ATOM 1185 CB ASP A 83 22.538 -5.708 7.881 1.00 0.00 C ATOM 1186 CG ASP A 83 22.247 -7.154 8.235 1.00 0.00 C ATOM 1187 OD1 ASP A 83 22.767 -7.628 9.267 1.00 0.00 O ATOM 1188 OD2 ASP A 83 21.502 -7.812 7.479 1.00 0.00 O ATOM 0 H ASP A 83 20.396 -4.685 8.647 1.00 0.00 H new ATOM 0 HA ASP A 83 22.896 -5.274 9.955 1.00 0.00 H new ATOM 0 HB2 ASP A 83 21.836 -5.375 7.117 1.00 0.00 H new ATOM 0 HB3 ASP A 83 23.536 -5.636 7.449 1.00 0.00 H new ATOM 1193 N GLY A 84 22.498 -2.491 8.297 1.00 0.00 N ATOM 1194 CA GLY A 84 23.123 -1.216 7.998 1.00 0.00 C ATOM 1195 C GLY A 84 23.015 -0.846 6.532 1.00 0.00 C ATOM 1196 O GLY A 84 22.742 -1.699 5.688 1.00 0.00 O ATOM 0 H GLY A 84 21.504 -2.544 8.073 1.00 0.00 H new ATOM 0 HA2 GLY A 84 22.658 -0.437 8.601 1.00 0.00 H new ATOM 0 HA3 GLY A 84 24.174 -1.255 8.283 1.00 0.00 H new ATOM 1200 N ASP A 85 23.231 0.430 6.229 1.00 0.00 N ATOM 1201 CA ASP A 85 23.158 0.914 4.855 1.00 0.00 C ATOM 1202 C ASP A 85 21.749 0.739 4.291 1.00 0.00 C ATOM 1203 O ASP A 85 21.378 -0.349 3.853 1.00 0.00 O ATOM 1204 CB ASP A 85 24.168 0.173 3.975 1.00 0.00 C ATOM 1205 CG ASP A 85 24.866 1.095 2.995 1.00 0.00 C ATOM 1206 OD1 ASP A 85 24.165 1.796 2.236 1.00 0.00 O ATOM 1207 OD2 ASP A 85 26.115 1.116 2.987 1.00 0.00 O ATOM 0 H ASP A 85 23.458 1.148 6.917 1.00 0.00 H new ATOM 0 HA ASP A 85 23.401 1.977 4.857 1.00 0.00 H new ATOM 0 HB2 ASP A 85 24.912 -0.310 4.608 1.00 0.00 H new ATOM 0 HB3 ASP A 85 23.656 -0.617 3.425 1.00 0.00 H new ATOM 1212 N PRO A 86 20.942 1.815 4.294 1.00 0.00 N ATOM 1213 CA PRO A 86 19.569 1.773 3.780 1.00 0.00 C ATOM 1214 C PRO A 86 19.498 1.207 2.367 1.00 0.00 C ATOM 1215 O PRO A 86 20.440 1.343 1.585 1.00 0.00 O ATOM 1216 CB PRO A 86 19.140 3.242 3.790 1.00 0.00 C ATOM 1217 CG PRO A 86 19.988 3.879 4.835 1.00 0.00 C ATOM 1218 CD PRO A 86 21.303 3.154 4.798 1.00 0.00 C ATOM 0 HA PRO A 86 18.929 1.125 4.379 1.00 0.00 H new ATOM 0 HB2 PRO A 86 19.297 3.706 2.816 1.00 0.00 H new ATOM 0 HB3 PRO A 86 18.080 3.343 4.025 1.00 0.00 H new ATOM 0 HG2 PRO A 86 20.122 4.942 4.634 1.00 0.00 H new ATOM 0 HG3 PRO A 86 19.524 3.796 5.818 1.00 0.00 H new ATOM 0 HD2 PRO A 86 22.017 3.651 4.142 1.00 0.00 H new ATOM 0 HD3 PRO A 86 21.761 3.101 5.786 1.00 0.00 H new ATOM 1226 N VAL A 87 18.377 0.571 2.044 1.00 0.00 N ATOM 1227 CA VAL A 87 18.185 -0.016 0.724 1.00 0.00 C ATOM 1228 C VAL A 87 16.806 0.320 0.169 1.00 0.00 C ATOM 1229 O VAL A 87 15.821 0.354 0.907 1.00 0.00 O ATOM 1230 CB VAL A 87 18.354 -1.547 0.758 1.00 0.00 C ATOM 1231 CG1 VAL A 87 19.805 -1.919 1.019 1.00 0.00 C ATOM 1232 CG2 VAL A 87 17.441 -2.161 1.809 1.00 0.00 C ATOM 0 H VAL A 87 17.588 0.449 2.679 1.00 0.00 H new ATOM 0 HA VAL A 87 18.949 0.411 0.075 1.00 0.00 H new ATOM 0 HB VAL A 87 18.071 -1.947 -0.215 1.00 0.00 H new ATOM 0 HG11 VAL A 87 19.904 -3.004 1.039 1.00 0.00 H new ATOM 0 HG12 VAL A 87 20.433 -1.512 0.227 1.00 0.00 H new ATOM 0 HG13 VAL A 87 20.119 -1.508 1.978 1.00 0.00 H new ATOM 0 HG21 VAL A 87 17.574 -3.243 1.819 1.00 0.00 H new ATOM 0 HG22 VAL A 87 17.691 -1.756 2.790 1.00 0.00 H new ATOM 0 HG23 VAL A 87 16.404 -1.925 1.572 1.00 0.00 H new ATOM 1242 N GLU A 88 16.742 0.568 -1.134 1.00 0.00 N ATOM 1243 CA GLU A 88 15.481 0.902 -1.786 1.00 0.00 C ATOM 1244 C GLU A 88 14.517 -0.279 -1.742 1.00 0.00 C ATOM 1245 O GLU A 88 14.787 -1.337 -2.310 1.00 0.00 O ATOM 1246 CB GLU A 88 15.727 1.324 -3.237 1.00 0.00 C ATOM 1247 CG GLU A 88 15.205 2.714 -3.563 1.00 0.00 C ATOM 1248 CD GLU A 88 15.957 3.366 -4.706 1.00 0.00 C ATOM 1249 OE1 GLU A 88 17.047 3.923 -4.459 1.00 0.00 O ATOM 1250 OE2 GLU A 88 15.456 3.319 -5.849 1.00 0.00 O ATOM 0 H GLU A 88 17.547 0.544 -1.759 1.00 0.00 H new ATOM 0 HA GLU A 88 15.031 1.735 -1.246 1.00 0.00 H new ATOM 0 HB2 GLU A 88 16.797 1.290 -3.440 1.00 0.00 H new ATOM 0 HB3 GLU A 88 15.253 0.602 -3.902 1.00 0.00 H new ATOM 0 HG2 GLU A 88 14.147 2.650 -3.819 1.00 0.00 H new ATOM 0 HG3 GLU A 88 15.281 3.344 -2.677 1.00 0.00 H new ATOM 1257 N ALA A 89 13.392 -0.088 -1.062 1.00 0.00 N ATOM 1258 CA ALA A 89 12.385 -1.134 -0.942 1.00 0.00 C ATOM 1259 C ALA A 89 11.156 -0.807 -1.781 1.00 0.00 C ATOM 1260 O ALA A 89 10.755 0.352 -1.886 1.00 0.00 O ATOM 1261 CB ALA A 89 11.998 -1.325 0.516 1.00 0.00 C ATOM 0 H ALA A 89 13.155 0.782 -0.585 1.00 0.00 H new ATOM 0 HA ALA A 89 12.811 -2.064 -1.318 1.00 0.00 H new ATOM 0 HB1 ALA A 89 11.245 -2.109 0.593 1.00 0.00 H new ATOM 0 HB2 ALA A 89 12.879 -1.610 1.092 1.00 0.00 H new ATOM 0 HB3 ALA A 89 11.593 -0.393 0.910 1.00 0.00 H new ATOM 1267 N ASN A 90 10.559 -1.835 -2.375 1.00 0.00 N ATOM 1268 CA ASN A 90 9.373 -1.654 -3.203 1.00 0.00 C ATOM 1269 C ASN A 90 8.350 -2.754 -2.936 1.00 0.00 C ATOM 1270 O ASN A 90 8.647 -3.940 -3.086 1.00 0.00 O ATOM 1271 CB ASN A 90 9.756 -1.632 -4.689 1.00 0.00 C ATOM 1272 CG ASN A 90 10.078 -3.011 -5.237 1.00 0.00 C ATOM 1273 OD1 ASN A 90 9.392 -3.512 -6.128 1.00 0.00 O ATOM 1274 ND2 ASN A 90 11.125 -3.631 -4.707 1.00 0.00 N ATOM 0 H ASN A 90 10.877 -2.801 -2.298 1.00 0.00 H new ATOM 0 HA ASN A 90 8.921 -0.697 -2.944 1.00 0.00 H new ATOM 0 HB2 ASN A 90 8.937 -1.200 -5.264 1.00 0.00 H new ATOM 0 HB3 ASN A 90 10.619 -0.981 -4.827 1.00 0.00 H new ATOM 0 HD21 ASN A 90 11.388 -4.560 -5.037 1.00 0.00 H new ATOM 0 HD22 ASN A 90 11.666 -3.179 -3.970 1.00 0.00 H new ATOM 1281 N VAL A 91 7.147 -2.355 -2.539 1.00 0.00 N ATOM 1282 CA VAL A 91 6.085 -3.311 -2.252 1.00 0.00 C ATOM 1283 C VAL A 91 4.801 -2.947 -2.990 1.00 0.00 C ATOM 1284 O VAL A 91 4.391 -1.787 -3.009 1.00 0.00 O ATOM 1285 CB VAL A 91 5.793 -3.394 -0.740 1.00 0.00 C ATOM 1286 CG1 VAL A 91 5.268 -2.065 -0.218 1.00 0.00 C ATOM 1287 CG2 VAL A 91 4.809 -4.517 -0.448 1.00 0.00 C ATOM 0 H VAL A 91 6.883 -1.378 -2.409 1.00 0.00 H new ATOM 0 HA VAL A 91 6.435 -4.283 -2.598 1.00 0.00 H new ATOM 0 HB VAL A 91 6.726 -3.614 -0.222 1.00 0.00 H new ATOM 0 HG11 VAL A 91 5.069 -2.147 0.851 1.00 0.00 H new ATOM 0 HG12 VAL A 91 6.012 -1.287 -0.390 1.00 0.00 H new ATOM 0 HG13 VAL A 91 4.346 -1.807 -0.740 1.00 0.00 H new ATOM 0 HG21 VAL A 91 4.615 -4.561 0.624 1.00 0.00 H new ATOM 0 HG22 VAL A 91 3.876 -4.330 -0.979 1.00 0.00 H new ATOM 0 HG23 VAL A 91 5.231 -5.466 -0.779 1.00 0.00 H new ATOM 1297 N ASN A 92 4.170 -3.949 -3.591 1.00 0.00 N ATOM 1298 CA ASN A 92 2.931 -3.741 -4.326 1.00 0.00 C ATOM 1299 C ASN A 92 1.727 -3.919 -3.402 1.00 0.00 C ATOM 1300 O ASN A 92 1.407 -5.034 -2.995 1.00 0.00 O ATOM 1301 CB ASN A 92 2.862 -4.717 -5.510 1.00 0.00 C ATOM 1302 CG ASN A 92 1.444 -5.027 -5.952 1.00 0.00 C ATOM 1303 OD1 ASN A 92 0.559 -4.175 -5.888 1.00 0.00 O ATOM 1304 ND2 ASN A 92 1.225 -6.257 -6.402 1.00 0.00 N ATOM 0 H ASN A 92 4.498 -4.915 -3.583 1.00 0.00 H new ATOM 0 HA ASN A 92 2.910 -2.722 -4.712 1.00 0.00 H new ATOM 0 HB2 ASN A 92 3.413 -4.296 -6.351 1.00 0.00 H new ATOM 0 HB3 ASN A 92 3.361 -5.646 -5.235 1.00 0.00 H new ATOM 0 HD21 ASN A 92 0.292 -6.528 -6.713 1.00 0.00 H new ATOM 0 HD22 ASN A 92 1.990 -6.931 -6.437 1.00 0.00 H new ATOM 1311 N LEU A 93 1.067 -2.812 -3.073 1.00 0.00 N ATOM 1312 CA LEU A 93 -0.100 -2.846 -2.194 1.00 0.00 C ATOM 1313 C LEU A 93 -1.094 -3.912 -2.644 1.00 0.00 C ATOM 1314 O LEU A 93 -1.699 -4.600 -1.823 1.00 0.00 O ATOM 1315 CB LEU A 93 -0.783 -1.478 -2.162 1.00 0.00 C ATOM 1316 CG LEU A 93 0.123 -0.309 -1.769 1.00 0.00 C ATOM 1317 CD1 LEU A 93 -0.609 1.012 -1.941 1.00 0.00 C ATOM 1318 CD2 LEU A 93 0.608 -0.470 -0.336 1.00 0.00 C ATOM 0 H LEU A 93 1.320 -1.880 -3.401 1.00 0.00 H new ATOM 0 HA LEU A 93 0.243 -3.097 -1.190 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -1.204 -1.276 -3.147 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -1.617 -1.522 -1.462 1.00 0.00 H new ATOM 0 HG LEU A 93 0.992 -0.308 -2.427 1.00 0.00 H new ATOM 0 HD11 LEU A 93 0.050 1.833 -1.657 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -0.907 1.130 -2.983 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -1.495 1.022 -1.307 1.00 0.00 H new ATOM 0 HD21 LEU A 93 1.251 0.370 -0.073 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -0.249 -0.496 0.337 1.00 0.00 H new ATOM 0 HD23 LEU A 93 1.170 -1.400 -0.244 1.00 0.00 H new ATOM 1330 N SER A 94 -1.250 -4.049 -3.956 1.00 0.00 N ATOM 1331 CA SER A 94 -2.163 -5.035 -4.523 1.00 0.00 C ATOM 1332 C SER A 94 -1.778 -6.455 -4.105 1.00 0.00 C ATOM 1333 O SER A 94 -2.554 -7.392 -4.279 1.00 0.00 O ATOM 1334 CB SER A 94 -2.179 -4.927 -6.049 1.00 0.00 C ATOM 1335 OG SER A 94 -2.207 -3.573 -6.464 1.00 0.00 O ATOM 0 H SER A 94 -0.754 -3.488 -4.649 1.00 0.00 H new ATOM 0 HA SER A 94 -3.161 -4.826 -4.137 1.00 0.00 H new ATOM 0 HB2 SER A 94 -1.298 -5.419 -6.461 1.00 0.00 H new ATOM 0 HB3 SER A 94 -3.050 -5.450 -6.445 1.00 0.00 H new ATOM 0 HG SER A 94 -2.660 -3.032 -5.784 1.00 0.00 H new ATOM 1341 N GLU A 95 -0.574 -6.612 -3.563 1.00 0.00 N ATOM 1342 CA GLU A 95 -0.097 -7.920 -3.133 1.00 0.00 C ATOM 1343 C GLU A 95 -0.999 -8.512 -2.055 1.00 0.00 C ATOM 1344 O GLU A 95 -1.374 -9.682 -2.121 1.00 0.00 O ATOM 1345 CB GLU A 95 1.333 -7.818 -2.603 1.00 0.00 C ATOM 1346 CG GLU A 95 2.382 -7.690 -3.697 1.00 0.00 C ATOM 1347 CD GLU A 95 3.473 -8.738 -3.587 1.00 0.00 C ATOM 1348 OE1 GLU A 95 3.869 -9.065 -2.448 1.00 0.00 O ATOM 1349 OE2 GLU A 95 3.931 -9.230 -4.639 1.00 0.00 O ATOM 0 H GLU A 95 0.087 -5.850 -3.412 1.00 0.00 H new ATOM 0 HA GLU A 95 -0.116 -8.579 -4.001 1.00 0.00 H new ATOM 0 HB2 GLU A 95 1.405 -6.956 -1.940 1.00 0.00 H new ATOM 0 HB3 GLU A 95 1.553 -8.701 -2.003 1.00 0.00 H new ATOM 0 HG2 GLU A 95 1.898 -7.775 -4.670 1.00 0.00 H new ATOM 0 HG3 GLU A 95 2.831 -6.698 -3.650 1.00 0.00 H new ATOM 1356 N ARG A 96 -1.334 -7.702 -1.054 1.00 0.00 N ATOM 1357 CA ARG A 96 -2.180 -8.160 0.043 1.00 0.00 C ATOM 1358 C ARG A 96 -3.169 -7.082 0.473 1.00 0.00 C ATOM 1359 O ARG A 96 -3.430 -6.910 1.664 1.00 0.00 O ATOM 1360 CB ARG A 96 -1.316 -8.568 1.238 1.00 0.00 C ATOM 1361 CG ARG A 96 -0.387 -9.736 0.951 1.00 0.00 C ATOM 1362 CD ARG A 96 -0.943 -11.035 1.506 1.00 0.00 C ATOM 1363 NE ARG A 96 -0.479 -11.288 2.868 1.00 0.00 N ATOM 1364 CZ ARG A 96 -0.810 -12.364 3.578 1.00 0.00 C ATOM 1365 NH1 ARG A 96 -1.611 -13.288 3.061 1.00 0.00 N ATOM 1366 NH2 ARG A 96 -0.340 -12.517 4.808 1.00 0.00 N ATOM 0 H ARG A 96 -1.034 -6.730 -0.980 1.00 0.00 H new ATOM 0 HA ARG A 96 -2.746 -9.021 -0.312 1.00 0.00 H new ATOM 0 HB2 ARG A 96 -0.721 -7.711 1.554 1.00 0.00 H new ATOM 0 HB3 ARG A 96 -1.966 -8.829 2.073 1.00 0.00 H new ATOM 0 HG2 ARG A 96 -0.241 -9.831 -0.125 1.00 0.00 H new ATOM 0 HG3 ARG A 96 0.592 -9.541 1.389 1.00 0.00 H new ATOM 0 HD2 ARG A 96 -2.032 -10.998 1.495 1.00 0.00 H new ATOM 0 HD3 ARG A 96 -0.645 -11.862 0.861 1.00 0.00 H new ATOM 0 HE ARG A 96 0.136 -10.599 3.301 1.00 0.00 H new ATOM 0 HH11 ARG A 96 -1.976 -13.175 2.115 1.00 0.00 H new ATOM 0 HH12 ARG A 96 -1.861 -14.111 3.610 1.00 0.00 H new ATOM 0 HH21 ARG A 96 0.275 -11.810 5.210 1.00 0.00 H new ATOM 0 HH22 ARG A 96 -0.594 -13.342 5.352 1.00 0.00 H new ATOM 1380 N ILE A 97 -3.727 -6.363 -0.494 1.00 0.00 N ATOM 1381 CA ILE A 97 -4.692 -5.316 -0.190 1.00 0.00 C ATOM 1382 C ILE A 97 -5.990 -5.551 -0.953 1.00 0.00 C ATOM 1383 O ILE A 97 -6.007 -5.541 -2.181 1.00 0.00 O ATOM 1384 CB ILE A 97 -4.126 -3.921 -0.536 1.00 0.00 C ATOM 1385 CG1 ILE A 97 -2.945 -3.591 0.380 1.00 0.00 C ATOM 1386 CG2 ILE A 97 -5.205 -2.851 -0.418 1.00 0.00 C ATOM 1387 CD1 ILE A 97 -3.336 -3.410 1.831 1.00 0.00 C ATOM 0 H ILE A 97 -3.529 -6.485 -1.487 1.00 0.00 H new ATOM 0 HA ILE A 97 -4.895 -5.350 0.880 1.00 0.00 H new ATOM 0 HB ILE A 97 -3.778 -3.938 -1.569 1.00 0.00 H new ATOM 0 HG12 ILE A 97 -2.206 -4.389 0.308 1.00 0.00 H new ATOM 0 HG13 ILE A 97 -2.465 -2.679 0.025 1.00 0.00 H new ATOM 0 HG21 ILE A 97 -4.781 -1.878 -0.667 1.00 0.00 H new ATOM 0 HG22 ILE A 97 -6.020 -3.078 -1.106 1.00 0.00 H new ATOM 0 HG23 ILE A 97 -5.587 -2.830 0.603 1.00 0.00 H new ATOM 0 HD11 ILE A 97 -2.449 -3.178 2.421 1.00 0.00 H new ATOM 0 HD12 ILE A 97 -4.052 -2.592 1.916 1.00 0.00 H new ATOM 0 HD13 ILE A 97 -3.789 -4.329 2.203 1.00 0.00 H new ATOM 1399 N GLY A 98 -7.075 -5.757 -0.219 1.00 0.00 N ATOM 1400 CA GLY A 98 -8.357 -5.995 -0.853 1.00 0.00 C ATOM 1401 C GLY A 98 -9.392 -4.945 -0.501 1.00 0.00 C ATOM 1402 O GLY A 98 -9.087 -3.965 0.179 1.00 0.00 O ATOM 0 H GLY A 98 -7.091 -5.764 0.801 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -8.223 -6.018 -1.935 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -8.727 -6.977 -0.556 1.00 0.00 H new ATOM 1406 N ASN A 99 -10.620 -5.154 -0.963 1.00 0.00 N ATOM 1407 CA ASN A 99 -11.710 -4.224 -0.694 1.00 0.00 C ATOM 1408 C ASN A 99 -12.968 -4.975 -0.269 1.00 0.00 C ATOM 1409 O ASN A 99 -13.635 -5.603 -1.091 1.00 0.00 O ATOM 1410 CB ASN A 99 -12.002 -3.374 -1.931 1.00 0.00 C ATOM 1411 CG ASN A 99 -12.262 -4.216 -3.164 1.00 0.00 C ATOM 1412 OD1 ASN A 99 -11.467 -5.088 -3.514 1.00 0.00 O ATOM 1413 ND2 ASN A 99 -13.381 -3.958 -3.831 1.00 0.00 N ATOM 0 H ASN A 99 -10.886 -5.961 -1.527 1.00 0.00 H new ATOM 0 HA ASN A 99 -11.404 -3.569 0.122 1.00 0.00 H new ATOM 0 HB2 ASN A 99 -12.868 -2.742 -1.737 1.00 0.00 H new ATOM 0 HB3 ASN A 99 -11.158 -2.710 -2.119 1.00 0.00 H new ATOM 0 HD21 ASN A 99 -13.610 -4.492 -4.669 1.00 0.00 H new ATOM 0 HD22 ASN A 99 -14.012 -3.226 -3.505 1.00 0.00 H new ATOM 1420 N ASP A 100 -13.285 -4.908 1.020 1.00 0.00 N ATOM 1421 CA ASP A 100 -14.462 -5.585 1.553 1.00 0.00 C ATOM 1422 C ASP A 100 -15.648 -4.631 1.639 1.00 0.00 C ATOM 1423 O ASP A 100 -15.611 -3.643 2.373 1.00 0.00 O ATOM 1424 CB ASP A 100 -14.159 -6.165 2.935 1.00 0.00 C ATOM 1425 CG ASP A 100 -15.262 -7.077 3.434 1.00 0.00 C ATOM 1426 OD1 ASP A 100 -16.444 -6.685 3.340 1.00 0.00 O ATOM 1427 OD2 ASP A 100 -14.945 -8.184 3.918 1.00 0.00 O ATOM 0 H ASP A 100 -12.744 -4.392 1.714 1.00 0.00 H new ATOM 0 HA ASP A 100 -14.721 -6.397 0.873 1.00 0.00 H new ATOM 0 HB2 ASP A 100 -13.222 -6.721 2.895 1.00 0.00 H new ATOM 0 HB3 ASP A 100 -14.016 -5.350 3.645 1.00 0.00 H new ATOM 1432 N CYS A 101 -16.700 -4.934 0.884 1.00 0.00 N ATOM 1433 CA CYS A 101 -17.900 -4.104 0.874 1.00 0.00 C ATOM 1434 C CYS A 101 -17.564 -2.662 0.510 1.00 0.00 C ATOM 1435 O CYS A 101 -18.233 -1.727 0.950 1.00 0.00 O ATOM 1436 CB CYS A 101 -18.589 -4.150 2.239 1.00 0.00 C ATOM 1437 SG CYS A 101 -20.365 -3.821 2.181 1.00 0.00 S ATOM 0 H CYS A 101 -16.746 -5.748 0.271 1.00 0.00 H new ATOM 0 HA CYS A 101 -18.578 -4.501 0.118 1.00 0.00 H new ATOM 0 HB2 CYS A 101 -18.427 -5.132 2.683 1.00 0.00 H new ATOM 0 HB3 CYS A 101 -18.117 -3.421 2.897 1.00 0.00 H new ATOM 0 HG CYS A 101 -20.858 -3.884 3.382 1.00 0.00 H new ATOM 1443 N GLY A 102 -16.520 -2.489 -0.294 1.00 0.00 N ATOM 1444 CA GLY A 102 -16.111 -1.158 -0.701 1.00 0.00 C ATOM 1445 C GLY A 102 -15.073 -0.556 0.228 1.00 0.00 C ATOM 1446 O GLY A 102 -14.418 0.427 -0.119 1.00 0.00 O ATOM 0 H GLY A 102 -15.950 -3.247 -0.671 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -15.707 -1.200 -1.713 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -16.985 -0.507 -0.733 1.00 0.00 H new ATOM 1450 N THR A 103 -14.922 -1.143 1.412 1.00 0.00 N ATOM 1451 CA THR A 103 -13.957 -0.655 2.390 1.00 0.00 C ATOM 1452 C THR A 103 -12.585 -1.281 2.159 1.00 0.00 C ATOM 1453 O THR A 103 -12.479 -2.397 1.652 1.00 0.00 O ATOM 1454 CB THR A 103 -14.437 -0.961 3.809 1.00 0.00 C ATOM 1455 OG1 THR A 103 -15.778 -0.539 3.986 1.00 0.00 O ATOM 1456 CG2 THR A 103 -13.601 -0.296 4.881 1.00 0.00 C ATOM 0 H THR A 103 -15.456 -1.957 1.716 1.00 0.00 H new ATOM 0 HA THR A 103 -13.870 0.425 2.269 1.00 0.00 H new ATOM 0 HB THR A 103 -14.345 -2.042 3.918 1.00 0.00 H new ATOM 0 HG1 THR A 103 -16.068 -0.745 4.899 1.00 0.00 H new ATOM 0 HG21 THR A 103 -13.996 -0.555 5.863 1.00 0.00 H new ATOM 0 HG22 THR A 103 -12.569 -0.639 4.803 1.00 0.00 H new ATOM 0 HG23 THR A 103 -13.635 0.786 4.750 1.00 0.00 H new ATOM 1464 N LEU A 104 -11.538 -0.553 2.533 1.00 0.00 N ATOM 1465 CA LEU A 104 -10.172 -1.035 2.367 1.00 0.00 C ATOM 1466 C LEU A 104 -9.831 -2.083 3.422 1.00 0.00 C ATOM 1467 O LEU A 104 -10.057 -1.875 4.614 1.00 0.00 O ATOM 1468 CB LEU A 104 -9.187 0.135 2.446 1.00 0.00 C ATOM 1469 CG LEU A 104 -8.523 0.519 1.121 1.00 0.00 C ATOM 1470 CD1 LEU A 104 -7.455 -0.497 0.746 1.00 0.00 C ATOM 1471 CD2 LEU A 104 -9.561 0.641 0.013 1.00 0.00 C ATOM 0 H LEU A 104 -11.610 0.374 2.953 1.00 0.00 H new ATOM 0 HA LEU A 104 -10.092 -1.502 1.385 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -9.713 1.006 2.836 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -8.407 -0.115 3.166 1.00 0.00 H new ATOM 0 HG LEU A 104 -8.045 1.490 1.247 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -6.994 -0.208 -0.198 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -6.695 -0.530 1.526 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -7.910 -1.482 0.641 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -9.067 0.915 -0.920 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -10.072 -0.313 -0.113 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -10.287 1.409 0.278 1.00 0.00 H new ATOM 1483 N ILE A 105 -9.285 -3.210 2.975 1.00 0.00 N ATOM 1484 CA ILE A 105 -8.911 -4.290 3.881 1.00 0.00 C ATOM 1485 C ILE A 105 -7.543 -4.861 3.524 1.00 0.00 C ATOM 1486 O ILE A 105 -6.986 -4.551 2.471 1.00 0.00 O ATOM 1487 CB ILE A 105 -9.949 -5.429 3.860 1.00 0.00 C ATOM 1488 CG1 ILE A 105 -10.095 -5.991 2.444 1.00 0.00 C ATOM 1489 CG2 ILE A 105 -11.290 -4.934 4.380 1.00 0.00 C ATOM 1490 CD1 ILE A 105 -10.234 -7.498 2.405 1.00 0.00 C ATOM 0 H ILE A 105 -9.092 -3.399 1.991 1.00 0.00 H new ATOM 0 HA ILE A 105 -8.873 -3.860 4.882 1.00 0.00 H new ATOM 0 HB ILE A 105 -9.601 -6.229 4.514 1.00 0.00 H new ATOM 0 HG12 ILE A 105 -10.968 -5.541 1.971 1.00 0.00 H new ATOM 0 HG13 ILE A 105 -9.226 -5.699 1.854 1.00 0.00 H new ATOM 0 HG21 ILE A 105 -12.012 -5.750 4.359 1.00 0.00 H new ATOM 0 HG22 ILE A 105 -11.174 -4.578 5.404 1.00 0.00 H new ATOM 0 HG23 ILE A 105 -11.646 -4.118 3.751 1.00 0.00 H new ATOM 0 HD11 ILE A 105 -10.333 -7.828 1.371 1.00 0.00 H new ATOM 0 HD12 ILE A 105 -9.350 -7.957 2.849 1.00 0.00 H new ATOM 0 HD13 ILE A 105 -11.119 -7.796 2.967 1.00 0.00 H new ATOM 1502 N PHE A 106 -7.007 -5.695 4.408 1.00 0.00 N ATOM 1503 CA PHE A 106 -5.705 -6.310 4.191 1.00 0.00 C ATOM 1504 C PHE A 106 -5.819 -7.834 4.212 1.00 0.00 C ATOM 1505 O PHE A 106 -6.530 -8.401 5.041 1.00 0.00 O ATOM 1506 CB PHE A 106 -4.713 -5.829 5.256 1.00 0.00 C ATOM 1507 CG PHE A 106 -3.570 -6.774 5.499 1.00 0.00 C ATOM 1508 CD1 PHE A 106 -3.684 -7.786 6.436 1.00 0.00 C ATOM 1509 CD2 PHE A 106 -2.387 -6.650 4.789 1.00 0.00 C ATOM 1510 CE1 PHE A 106 -2.638 -8.660 6.663 1.00 0.00 C ATOM 1511 CE2 PHE A 106 -1.337 -7.520 5.011 1.00 0.00 C ATOM 1512 CZ PHE A 106 -1.462 -8.526 5.949 1.00 0.00 C ATOM 0 H PHE A 106 -7.457 -5.961 5.284 1.00 0.00 H new ATOM 0 HA PHE A 106 -5.337 -6.011 3.209 1.00 0.00 H new ATOM 0 HB2 PHE A 106 -4.313 -4.861 4.954 1.00 0.00 H new ATOM 0 HB3 PHE A 106 -5.248 -5.674 6.193 1.00 0.00 H new ATOM 0 HD1 PHE A 106 -4.601 -7.894 6.996 1.00 0.00 H new ATOM 0 HD2 PHE A 106 -2.284 -5.865 4.054 1.00 0.00 H new ATOM 0 HE1 PHE A 106 -2.739 -9.446 7.397 1.00 0.00 H new ATOM 0 HE2 PHE A 106 -0.419 -7.414 4.452 1.00 0.00 H new ATOM 0 HZ PHE A 106 -0.642 -9.207 6.124 1.00 0.00 H new ATOM 1522 N LEU A 107 -5.114 -8.488 3.294 1.00 0.00 N ATOM 1523 CA LEU A 107 -5.137 -9.943 3.208 1.00 0.00 C ATOM 1524 C LEU A 107 -4.459 -10.570 4.422 1.00 0.00 C ATOM 1525 O LEU A 107 -3.233 -10.565 4.533 1.00 0.00 O ATOM 1526 CB LEU A 107 -4.446 -10.405 1.924 1.00 0.00 C ATOM 1527 CG LEU A 107 -5.385 -10.701 0.754 1.00 0.00 C ATOM 1528 CD1 LEU A 107 -5.738 -9.419 0.014 1.00 0.00 C ATOM 1529 CD2 LEU A 107 -4.752 -11.710 -0.192 1.00 0.00 C ATOM 0 H LEU A 107 -4.520 -8.033 2.600 1.00 0.00 H new ATOM 0 HA LEU A 107 -6.177 -10.268 3.190 1.00 0.00 H new ATOM 0 HB2 LEU A 107 -3.736 -9.638 1.615 1.00 0.00 H new ATOM 0 HB3 LEU A 107 -3.869 -11.303 2.143 1.00 0.00 H new ATOM 0 HG LEU A 107 -6.305 -11.131 1.150 1.00 0.00 H new ATOM 0 HD11 LEU A 107 -6.407 -9.650 -0.815 1.00 0.00 H new ATOM 0 HD12 LEU A 107 -6.232 -8.729 0.698 1.00 0.00 H new ATOM 0 HD13 LEU A 107 -4.828 -8.959 -0.371 1.00 0.00 H new ATOM 0 HD21 LEU A 107 -5.433 -11.910 -1.019 1.00 0.00 H new ATOM 0 HD22 LEU A 107 -3.817 -11.307 -0.581 1.00 0.00 H new ATOM 0 HD23 LEU A 107 -4.552 -12.637 0.345 1.00 0.00 H new ATOM 1541 N ALA A 108 -5.265 -11.110 5.330 1.00 0.00 N ATOM 1542 CA ALA A 108 -4.744 -11.742 6.536 1.00 0.00 C ATOM 1543 C ALA A 108 -5.164 -13.205 6.614 1.00 0.00 C ATOM 1544 O ALA A 108 -6.380 -13.466 6.733 1.00 0.00 O ATOM 1545 CB ALA A 108 -5.214 -10.989 7.772 1.00 0.00 C ATOM 1546 OXT ALA A 108 -4.274 -14.080 6.555 1.00 0.00 O ATOM 0 H ALA A 108 -6.282 -11.122 5.253 1.00 0.00 H new ATOM 0 HA ALA A 108 -3.655 -11.706 6.494 1.00 0.00 H new ATOM 0 HB1 ALA A 108 -4.817 -11.472 8.665 1.00 0.00 H new ATOM 0 HB2 ALA A 108 -4.858 -9.960 7.728 1.00 0.00 H new ATOM 0 HB3 ALA A 108 -6.303 -10.995 7.810 1.00 0.00 H new