USER MOD reduce.3.24.130724 H: found=0, std=0, add=793, rem=0, adj=37 USER MOD reduce.3.24.130724 removed 795 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 33 HIS : no HE2:sc= -0.0995 K(o=-0.18,f=-1.1) USER MOD Set 1.2: A 52 ASN : amide:sc= -0.0778 K(o=-0.18,f=-5.2!) USER MOD Set 2.1: A 17 SER OG : rot 180:sc= -0.0751 USER MOD Set 2.2: A 82 GLN : amide:sc= -2.69! C(o=-2.8!,f=-2.8!) USER MOD Single : A 3 GLN : amide:sc= 0.0171 X(o=0.017,f=0) USER MOD Single : A 5 GLN : amide:sc= 0 X(o=0,f=-0.44) USER MOD Single : A 7 SER OG : rot 180:sc=-0.000678 USER MOD Single : A 13 GLN : amide:sc= -0.139 X(o=-0.14,f=0) USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 25 SER OG : rot 40:sc= 0.0245 USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 SER OG : rot -43:sc= 0.663 USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 MET CE :methyl -141:sc= -6.07! (180deg=-11.9!) USER MOD Single : A 39 GLN :FLIP amide:sc= -0.726 F(o=-1.7!,f=-0.73) USER MOD Single : A 49 SER OG : rot -96:sc= 0.541 USER MOD Single : A 50 THR OG1 : rot 108:sc= -0.482! USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 TYR OH : rot 110:sc= 0.678 USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 SER OG : rot 180:sc= -0.102 USER MOD Single : A 74 ASN : amide:sc= -0.51 X(o=-0.51,f=-0.39) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 ASN : amide:sc= -0.585 X(o=-0.58,f=-0.81) USER MOD Single : A 78 THR OG1 : rot -140:sc= -1.24 USER MOD Single : A 80 TYR OH : rot 180:sc= 0 USER MOD Single : A 83 MET CE :methyl 151:sc= -7.21! (180deg=-7.89!) USER MOD Single : A 84 ASN : amide:sc= -0.965 K(o=-0.97,f=-3!) USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 87 LYS NZ :NH3+ -131:sc= -0.598 (180deg=-1.75!) USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 91 THR OG1 : rot 180:sc= 0.392 USER MOD Single : A 94 TYR OH : rot 155:sc= 1.41 USER MOD Single : A 95 TYR OH : rot 180:sc= 0 USER MOD Single : A 98 LYS NZ :NH3+ -162:sc= 0.322 (180deg=0.0494) USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 100 SER OG : rot -160:sc= -0.289 USER MOD Single : A 109 GLN :FLIP amide:sc= -0.226 F(o=-3.8!,f=-0.23) USER MOD Single : A 111 THR OG1 : rot 15:sc= -0.395 USER MOD Single : A 112 GLN :FLIP amide:sc= -0.0136 F(o=-1.6!,f=-0.014) USER MOD Single : A 114 THR OG1 : rot 180:sc= 0 USER MOD Single : A 116 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 15 N VAL A 2 -9.039 -9.409 5.933 1.00 0.00 N ATOM 16 CA VAL A 2 -8.150 -9.650 4.806 1.00 0.00 C ATOM 17 C VAL A 2 -6.696 -9.428 5.208 1.00 0.00 C ATOM 18 O VAL A 2 -6.270 -8.297 5.447 1.00 0.00 O ATOM 19 CB VAL A 2 -8.500 -8.739 3.605 1.00 0.00 C ATOM 20 CG1 VAL A 2 -8.995 -7.382 4.083 1.00 0.00 C ATOM 21 CG2 VAL A 2 -7.309 -8.577 2.671 1.00 0.00 C ATOM 0 HA VAL A 2 -8.285 -10.689 4.504 1.00 0.00 H new ATOM 0 HB VAL A 2 -9.302 -9.220 3.045 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -9.235 -6.758 3.222 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -9.887 -7.515 4.695 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -8.218 -6.899 4.675 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -7.586 -7.932 1.837 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -6.478 -8.129 3.216 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -7.010 -9.554 2.290 1.00 0.00 H new ATOM 31 N GLN A 3 -5.937 -10.516 5.276 1.00 0.00 N ATOM 32 CA GLN A 3 -4.529 -10.443 5.641 1.00 0.00 C ATOM 33 C GLN A 3 -3.654 -10.626 4.409 1.00 0.00 C ATOM 34 O GLN A 3 -3.942 -11.460 3.551 1.00 0.00 O ATOM 35 CB GLN A 3 -4.190 -11.502 6.690 1.00 0.00 C ATOM 36 CG GLN A 3 -3.483 -10.934 7.908 1.00 0.00 C ATOM 37 CD GLN A 3 -2.216 -11.691 8.253 1.00 0.00 C ATOM 38 OE1 GLN A 3 -2.172 -12.434 9.233 1.00 0.00 O ATOM 39 NE2 GLN A 3 -1.177 -11.503 7.448 1.00 0.00 N ATOM 0 H GLN A 3 -6.274 -11.459 5.083 1.00 0.00 H new ATOM 0 HA GLN A 3 -4.335 -9.459 6.067 1.00 0.00 H new ATOM 0 HB2 GLN A 3 -5.108 -11.995 7.008 1.00 0.00 H new ATOM 0 HB3 GLN A 3 -3.559 -12.266 6.235 1.00 0.00 H new ATOM 0 HG2 GLN A 3 -3.238 -9.887 7.726 1.00 0.00 H new ATOM 0 HG3 GLN A 3 -4.161 -10.959 8.761 1.00 0.00 H new ATOM 0 HE21 GLN A 3 -1.259 -10.877 6.647 1.00 0.00 H new ATOM 0 HE22 GLN A 3 -0.296 -11.984 7.631 1.00 0.00 H new ATOM 48 N LEU A 4 -2.593 -9.833 4.315 1.00 0.00 N ATOM 49 CA LEU A 4 -1.692 -9.908 3.172 1.00 0.00 C ATOM 50 C LEU A 4 -0.335 -10.480 3.567 1.00 0.00 C ATOM 51 O LEU A 4 0.032 -10.487 4.742 1.00 0.00 O ATOM 52 CB LEU A 4 -1.508 -8.521 2.545 1.00 0.00 C ATOM 53 CG LEU A 4 -2.462 -7.433 3.053 1.00 0.00 C ATOM 54 CD1 LEU A 4 -2.050 -6.075 2.514 1.00 0.00 C ATOM 55 CD2 LEU A 4 -3.895 -7.738 2.652 1.00 0.00 C ATOM 0 H LEU A 4 -2.337 -9.134 5.013 1.00 0.00 H new ATOM 0 HA LEU A 4 -2.144 -10.578 2.440 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -0.484 -8.194 2.724 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -1.630 -8.611 1.466 1.00 0.00 H new ATOM 0 HG LEU A 4 -2.405 -7.415 4.141 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -2.737 -5.313 2.883 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -1.038 -5.843 2.846 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -2.079 -6.092 1.425 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -4.552 -6.952 3.024 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -3.966 -7.787 1.565 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -4.196 -8.695 3.078 1.00 0.00 H new ATOM 67 N GLN A 5 0.407 -10.952 2.569 1.00 0.00 N ATOM 68 CA GLN A 5 1.731 -11.519 2.792 1.00 0.00 C ATOM 69 C GLN A 5 2.787 -10.692 2.069 1.00 0.00 C ATOM 70 O GLN A 5 2.869 -10.706 0.841 1.00 0.00 O ATOM 71 CB GLN A 5 1.782 -12.970 2.312 1.00 0.00 C ATOM 72 CG GLN A 5 3.063 -13.691 2.697 1.00 0.00 C ATOM 73 CD GLN A 5 3.234 -15.009 1.969 1.00 0.00 C ATOM 74 OE1 GLN A 5 2.265 -15.596 1.488 1.00 0.00 O ATOM 75 NE2 GLN A 5 4.472 -15.483 1.885 1.00 0.00 N ATOM 0 H GLN A 5 0.110 -10.952 1.593 1.00 0.00 H new ATOM 0 HA GLN A 5 1.938 -11.500 3.862 1.00 0.00 H new ATOM 0 HB2 GLN A 5 0.931 -13.511 2.726 1.00 0.00 H new ATOM 0 HB3 GLN A 5 1.675 -12.990 1.227 1.00 0.00 H new ATOM 0 HG2 GLN A 5 3.916 -13.048 2.481 1.00 0.00 H new ATOM 0 HG3 GLN A 5 3.064 -13.872 3.772 1.00 0.00 H new ATOM 0 HE21 GLN A 5 5.246 -14.963 2.298 1.00 0.00 H new ATOM 0 HE22 GLN A 5 4.648 -16.367 1.407 1.00 0.00 H new ATOM 84 N ALA A 6 3.583 -9.961 2.840 1.00 0.00 N ATOM 85 CA ALA A 6 4.623 -9.111 2.278 1.00 0.00 C ATOM 86 C ALA A 6 5.940 -9.864 2.114 1.00 0.00 C ATOM 87 O ALA A 6 6.373 -10.585 3.014 1.00 0.00 O ATOM 88 CB ALA A 6 4.815 -7.884 3.155 1.00 0.00 C ATOM 0 H ALA A 6 3.527 -9.941 3.858 1.00 0.00 H new ATOM 0 HA ALA A 6 4.303 -8.797 1.284 1.00 0.00 H new ATOM 0 HB1 ALA A 6 5.594 -7.251 2.730 1.00 0.00 H new ATOM 0 HB2 ALA A 6 3.881 -7.324 3.207 1.00 0.00 H new ATOM 0 HB3 ALA A 6 5.107 -8.196 4.158 1.00 0.00 H new ATOM 94 N SER A 7 6.572 -9.689 0.956 1.00 0.00 N ATOM 95 CA SER A 7 7.841 -10.347 0.665 1.00 0.00 C ATOM 96 C SER A 7 8.557 -9.662 -0.497 1.00 0.00 C ATOM 97 O SER A 7 8.012 -8.756 -1.128 1.00 0.00 O ATOM 98 CB SER A 7 7.613 -11.823 0.338 1.00 0.00 C ATOM 99 OG SER A 7 8.809 -12.570 0.486 1.00 0.00 O ATOM 0 H SER A 7 6.224 -9.095 0.203 1.00 0.00 H new ATOM 0 HA SER A 7 8.470 -10.272 1.552 1.00 0.00 H new ATOM 0 HB2 SER A 7 6.843 -12.229 0.994 1.00 0.00 H new ATOM 0 HB3 SER A 7 7.244 -11.920 -0.683 1.00 0.00 H new ATOM 0 HG SER A 7 8.636 -13.511 0.273 1.00 0.00 H new ATOM 105 N GLY A 8 9.781 -10.101 -0.772 1.00 0.00 N ATOM 106 CA GLY A 8 10.553 -9.520 -1.856 1.00 0.00 C ATOM 107 C GLY A 8 11.722 -8.695 -1.355 1.00 0.00 C ATOM 108 O GLY A 8 12.514 -8.183 -2.146 1.00 0.00 O ATOM 0 H GLY A 8 10.253 -10.849 -0.264 1.00 0.00 H new ATOM 0 HA2 GLY A 8 10.924 -10.316 -2.502 1.00 0.00 H new ATOM 0 HA3 GLY A 8 9.903 -8.892 -2.465 1.00 0.00 H new ATOM 112 N GLY A 9 11.827 -8.568 -0.035 1.00 0.00 N ATOM 113 CA GLY A 9 12.906 -7.799 0.558 1.00 0.00 C ATOM 114 C GLY A 9 14.274 -8.309 0.157 1.00 0.00 C ATOM 115 O GLY A 9 14.618 -9.462 0.420 1.00 0.00 O ATOM 0 H GLY A 9 11.182 -8.985 0.636 1.00 0.00 H new ATOM 0 HA2 GLY A 9 12.810 -6.755 0.259 1.00 0.00 H new ATOM 0 HA3 GLY A 9 12.815 -7.830 1.644 1.00 0.00 H new ATOM 119 N GLY A 10 15.052 -7.446 -0.483 1.00 0.00 N ATOM 120 CA GLY A 10 16.382 -7.825 -0.920 1.00 0.00 C ATOM 121 C GLY A 10 17.456 -6.879 -0.418 1.00 0.00 C ATOM 122 O GLY A 10 17.181 -5.969 0.370 1.00 0.00 O ATOM 0 H GLY A 10 14.785 -6.488 -0.708 1.00 0.00 H new ATOM 0 HA2 GLY A 10 16.601 -8.834 -0.571 1.00 0.00 H new ATOM 0 HA3 GLY A 10 16.408 -7.852 -2.009 1.00 0.00 H new ATOM 126 N LEU A 11 18.686 -7.099 -0.876 1.00 0.00 N ATOM 127 CA LEU A 11 19.813 -6.268 -0.478 1.00 0.00 C ATOM 128 C LEU A 11 20.360 -5.492 -1.664 1.00 0.00 C ATOM 129 O LEU A 11 20.645 -6.062 -2.717 1.00 0.00 O ATOM 130 CB LEU A 11 20.919 -7.128 0.140 1.00 0.00 C ATOM 131 CG LEU A 11 21.034 -7.051 1.664 1.00 0.00 C ATOM 132 CD1 LEU A 11 21.391 -5.638 2.102 1.00 0.00 C ATOM 133 CD2 LEU A 11 19.739 -7.506 2.324 1.00 0.00 C ATOM 0 H LEU A 11 18.925 -7.849 -1.525 1.00 0.00 H new ATOM 0 HA LEU A 11 19.460 -5.556 0.267 1.00 0.00 H new ATOM 0 HB2 LEU A 11 20.749 -8.167 -0.143 1.00 0.00 H new ATOM 0 HB3 LEU A 11 21.873 -6.831 -0.295 1.00 0.00 H new ATOM 0 HG LEU A 11 21.833 -7.721 1.982 1.00 0.00 H new ATOM 0 HD11 LEU A 11 21.468 -5.603 3.189 1.00 0.00 H new ATOM 0 HD12 LEU A 11 22.345 -5.350 1.661 1.00 0.00 H new ATOM 0 HD13 LEU A 11 20.615 -4.948 1.771 1.00 0.00 H new ATOM 0 HD21 LEU A 11 19.841 -7.444 3.407 1.00 0.00 H new ATOM 0 HD22 LEU A 11 18.920 -6.864 1.999 1.00 0.00 H new ATOM 0 HD23 LEU A 11 19.527 -8.536 2.038 1.00 0.00 H new ATOM 145 N VAL A 12 20.493 -4.184 -1.486 1.00 0.00 N ATOM 146 CA VAL A 12 20.996 -3.325 -2.541 1.00 0.00 C ATOM 147 C VAL A 12 22.008 -2.320 -2.013 1.00 0.00 C ATOM 148 O VAL A 12 22.413 -2.371 -0.852 1.00 0.00 O ATOM 149 CB VAL A 12 19.845 -2.597 -3.265 1.00 0.00 C ATOM 150 CG1 VAL A 12 19.615 -1.189 -2.727 1.00 0.00 C ATOM 151 CG2 VAL A 12 20.092 -2.588 -4.760 1.00 0.00 C ATOM 0 H VAL A 12 20.259 -3.698 -0.620 1.00 0.00 H new ATOM 0 HA VAL A 12 21.504 -3.967 -3.260 1.00 0.00 H new ATOM 0 HB VAL A 12 18.927 -3.150 -3.066 1.00 0.00 H new ATOM 0 HG11 VAL A 12 18.794 -0.721 -3.271 1.00 0.00 H new ATOM 0 HG12 VAL A 12 19.365 -1.241 -1.667 1.00 0.00 H new ATOM 0 HG13 VAL A 12 20.521 -0.597 -2.858 1.00 0.00 H new ATOM 0 HG21 VAL A 12 19.273 -2.072 -5.261 1.00 0.00 H new ATOM 0 HG22 VAL A 12 21.029 -2.073 -4.971 1.00 0.00 H new ATOM 0 HG23 VAL A 12 20.152 -3.613 -5.125 1.00 0.00 H new ATOM 161 N GLN A 13 22.410 -1.408 -2.883 1.00 0.00 N ATOM 162 CA GLN A 13 23.377 -0.373 -2.531 1.00 0.00 C ATOM 163 C GLN A 13 22.854 1.006 -2.927 1.00 0.00 C ATOM 164 O GLN A 13 22.002 1.117 -3.807 1.00 0.00 O ATOM 165 CB GLN A 13 24.717 -0.641 -3.224 1.00 0.00 C ATOM 166 CG GLN A 13 24.951 -2.107 -3.554 1.00 0.00 C ATOM 167 CD GLN A 13 26.103 -2.311 -4.518 1.00 0.00 C ATOM 168 OE1 GLN A 13 26.004 -3.093 -5.464 1.00 0.00 O ATOM 169 NE2 GLN A 13 27.204 -1.608 -4.283 1.00 0.00 N ATOM 0 H GLN A 13 22.080 -1.361 -3.847 1.00 0.00 H new ATOM 0 HA GLN A 13 23.525 -0.395 -1.451 1.00 0.00 H new ATOM 0 HB2 GLN A 13 24.763 -0.059 -4.144 1.00 0.00 H new ATOM 0 HB3 GLN A 13 25.525 -0.288 -2.583 1.00 0.00 H new ATOM 0 HG2 GLN A 13 25.151 -2.655 -2.633 1.00 0.00 H new ATOM 0 HG3 GLN A 13 24.043 -2.528 -3.985 1.00 0.00 H new ATOM 0 HE21 GLN A 13 27.242 -0.971 -3.487 1.00 0.00 H new ATOM 0 HE22 GLN A 13 28.012 -1.704 -4.898 1.00 0.00 H new ATOM 178 N PRO A 14 23.354 2.081 -2.282 1.00 0.00 N ATOM 179 CA PRO A 14 22.923 3.449 -2.585 1.00 0.00 C ATOM 180 C PRO A 14 22.950 3.743 -4.080 1.00 0.00 C ATOM 181 O PRO A 14 24.017 3.904 -4.673 1.00 0.00 O ATOM 182 CB PRO A 14 23.948 4.311 -1.846 1.00 0.00 C ATOM 183 CG PRO A 14 24.395 3.464 -0.707 1.00 0.00 C ATOM 184 CD PRO A 14 24.373 2.048 -1.215 1.00 0.00 C ATOM 0 HA PRO A 14 21.893 3.634 -2.280 1.00 0.00 H new ATOM 0 HB2 PRO A 14 24.783 4.578 -2.494 1.00 0.00 H new ATOM 0 HB3 PRO A 14 23.505 5.244 -1.497 1.00 0.00 H new ATOM 0 HG2 PRO A 14 25.395 3.746 -0.379 1.00 0.00 H new ATOM 0 HG3 PRO A 14 23.733 3.582 0.151 1.00 0.00 H new ATOM 0 HD2 PRO A 14 25.347 1.744 -1.599 1.00 0.00 H new ATOM 0 HD3 PRO A 14 24.107 1.343 -0.427 1.00 0.00 H new ATOM 192 N GLY A 15 21.768 3.802 -4.684 1.00 0.00 N ATOM 193 CA GLY A 15 21.669 4.065 -6.107 1.00 0.00 C ATOM 194 C GLY A 15 21.207 2.847 -6.882 1.00 0.00 C ATOM 195 O GLY A 15 21.177 2.857 -8.112 1.00 0.00 O ATOM 0 H GLY A 15 20.874 3.672 -4.211 1.00 0.00 H new ATOM 0 HA2 GLY A 15 20.973 4.887 -6.276 1.00 0.00 H new ATOM 0 HA3 GLY A 15 22.640 4.387 -6.484 1.00 0.00 H new ATOM 199 N GLY A 16 20.848 1.794 -6.153 1.00 0.00 N ATOM 200 CA GLY A 16 20.390 0.571 -6.781 1.00 0.00 C ATOM 201 C GLY A 16 18.924 0.624 -7.160 1.00 0.00 C ATOM 202 O GLY A 16 18.395 1.688 -7.481 1.00 0.00 O ATOM 0 H GLY A 16 20.867 1.768 -5.134 1.00 0.00 H new ATOM 0 HA2 GLY A 16 20.986 0.380 -7.674 1.00 0.00 H new ATOM 0 HA3 GLY A 16 20.556 -0.266 -6.102 1.00 0.00 H new ATOM 206 N SER A 17 18.271 -0.531 -7.121 1.00 0.00 N ATOM 207 CA SER A 17 16.857 -0.627 -7.459 1.00 0.00 C ATOM 208 C SER A 17 16.301 -1.986 -7.047 1.00 0.00 C ATOM 209 O SER A 17 16.677 -3.017 -7.606 1.00 0.00 O ATOM 210 CB SER A 17 16.652 -0.401 -8.960 1.00 0.00 C ATOM 211 OG SER A 17 15.876 -1.436 -9.537 1.00 0.00 O ATOM 0 H SER A 17 18.701 -1.418 -6.857 1.00 0.00 H new ATOM 0 HA SER A 17 16.318 0.147 -6.913 1.00 0.00 H new ATOM 0 HB2 SER A 17 16.160 0.558 -9.121 1.00 0.00 H new ATOM 0 HB3 SER A 17 17.621 -0.350 -9.457 1.00 0.00 H new ATOM 0 HG SER A 17 15.761 -1.264 -10.495 1.00 0.00 H new ATOM 217 N LEU A 18 15.412 -1.980 -6.060 1.00 0.00 N ATOM 218 CA LEU A 18 14.813 -3.216 -5.565 1.00 0.00 C ATOM 219 C LEU A 18 13.292 -3.165 -5.668 1.00 0.00 C ATOM 220 O LEU A 18 12.662 -2.210 -5.220 1.00 0.00 O ATOM 221 CB LEU A 18 15.236 -3.458 -4.113 1.00 0.00 C ATOM 222 CG LEU A 18 14.399 -4.485 -3.347 1.00 0.00 C ATOM 223 CD1 LEU A 18 14.720 -5.896 -3.816 1.00 0.00 C ATOM 224 CD2 LEU A 18 14.643 -4.348 -1.852 1.00 0.00 C ATOM 0 H LEU A 18 15.090 -1.136 -5.587 1.00 0.00 H new ATOM 0 HA LEU A 18 15.168 -4.041 -6.183 1.00 0.00 H new ATOM 0 HB2 LEU A 18 16.276 -3.784 -4.105 1.00 0.00 H new ATOM 0 HB3 LEU A 18 15.195 -2.509 -3.578 1.00 0.00 H new ATOM 0 HG LEU A 18 13.345 -4.294 -3.547 1.00 0.00 H new ATOM 0 HD11 LEU A 18 14.115 -6.611 -3.259 1.00 0.00 H new ATOM 0 HD12 LEU A 18 14.500 -5.985 -4.880 1.00 0.00 H new ATOM 0 HD13 LEU A 18 15.776 -6.105 -3.646 1.00 0.00 H new ATOM 0 HD21 LEU A 18 14.043 -5.083 -1.316 1.00 0.00 H new ATOM 0 HD22 LEU A 18 15.699 -4.517 -1.639 1.00 0.00 H new ATOM 0 HD23 LEU A 18 14.363 -3.346 -1.528 1.00 0.00 H new ATOM 236 N ARG A 19 12.711 -4.204 -6.257 1.00 0.00 N ATOM 237 CA ARG A 19 11.264 -4.281 -6.415 1.00 0.00 C ATOM 238 C ARG A 19 10.662 -5.263 -5.418 1.00 0.00 C ATOM 239 O ARG A 19 10.946 -6.460 -5.461 1.00 0.00 O ATOM 240 CB ARG A 19 10.904 -4.703 -7.841 1.00 0.00 C ATOM 241 CG ARG A 19 9.419 -4.969 -8.042 1.00 0.00 C ATOM 242 CD ARG A 19 9.134 -5.607 -9.394 1.00 0.00 C ATOM 243 NE ARG A 19 10.292 -5.570 -10.283 1.00 0.00 N ATOM 244 CZ ARG A 19 10.720 -6.618 -10.983 1.00 0.00 C ATOM 245 NH1 ARG A 19 10.090 -7.782 -10.892 1.00 0.00 N ATOM 246 NH2 ARG A 19 11.779 -6.503 -11.773 1.00 0.00 N ATOM 0 H ARG A 19 13.220 -5.004 -6.633 1.00 0.00 H new ATOM 0 HA ARG A 19 10.851 -3.291 -6.222 1.00 0.00 H new ATOM 0 HB2 ARG A 19 11.222 -3.923 -8.533 1.00 0.00 H new ATOM 0 HB3 ARG A 19 11.463 -5.603 -8.097 1.00 0.00 H new ATOM 0 HG2 ARG A 19 9.057 -5.623 -7.249 1.00 0.00 H new ATOM 0 HG3 ARG A 19 8.868 -4.032 -7.959 1.00 0.00 H new ATOM 0 HD2 ARG A 19 8.826 -6.642 -9.246 1.00 0.00 H new ATOM 0 HD3 ARG A 19 8.299 -5.090 -9.868 1.00 0.00 H new ATOM 0 HE ARG A 19 10.802 -4.691 -10.373 1.00 0.00 H new ATOM 0 HH11 ARG A 19 9.276 -7.875 -10.285 1.00 0.00 H new ATOM 0 HH12 ARG A 19 10.420 -8.584 -11.429 1.00 0.00 H new ATOM 0 HH21 ARG A 19 12.267 -5.610 -11.845 1.00 0.00 H new ATOM 0 HH22 ARG A 19 12.105 -7.307 -12.309 1.00 0.00 H new ATOM 260 N VAL A 20 9.823 -4.750 -4.525 1.00 0.00 N ATOM 261 CA VAL A 20 9.175 -5.584 -3.522 1.00 0.00 C ATOM 262 C VAL A 20 7.706 -5.800 -3.871 1.00 0.00 C ATOM 263 O VAL A 20 7.079 -4.944 -4.497 1.00 0.00 O ATOM 264 CB VAL A 20 9.288 -4.966 -2.116 1.00 0.00 C ATOM 265 CG1 VAL A 20 10.746 -4.870 -1.691 1.00 0.00 C ATOM 266 CG2 VAL A 20 8.621 -3.599 -2.073 1.00 0.00 C ATOM 0 H VAL A 20 9.576 -3.761 -4.476 1.00 0.00 H new ATOM 0 HA VAL A 20 9.689 -6.545 -3.517 1.00 0.00 H new ATOM 0 HB VAL A 20 8.769 -5.617 -1.412 1.00 0.00 H new ATOM 0 HG11 VAL A 20 10.807 -4.431 -0.695 1.00 0.00 H new ATOM 0 HG12 VAL A 20 11.187 -5.867 -1.676 1.00 0.00 H new ATOM 0 HG13 VAL A 20 11.290 -4.243 -2.397 1.00 0.00 H new ATOM 0 HG21 VAL A 20 8.713 -3.181 -1.071 1.00 0.00 H new ATOM 0 HG22 VAL A 20 9.106 -2.935 -2.789 1.00 0.00 H new ATOM 0 HG23 VAL A 20 7.566 -3.701 -2.329 1.00 0.00 H new ATOM 276 N SER A 21 7.164 -6.948 -3.478 1.00 0.00 N ATOM 277 CA SER A 21 5.771 -7.269 -3.771 1.00 0.00 C ATOM 278 C SER A 21 4.981 -7.548 -2.497 1.00 0.00 C ATOM 279 O SER A 21 5.553 -7.777 -1.432 1.00 0.00 O ATOM 280 CB SER A 21 5.690 -8.478 -4.702 1.00 0.00 C ATOM 281 OG SER A 21 6.216 -9.638 -4.081 1.00 0.00 O ATOM 0 H SER A 21 7.665 -7.669 -2.958 1.00 0.00 H new ATOM 0 HA SER A 21 5.330 -6.402 -4.262 1.00 0.00 H new ATOM 0 HB2 SER A 21 4.652 -8.653 -4.986 1.00 0.00 H new ATOM 0 HB3 SER A 21 6.241 -8.272 -5.619 1.00 0.00 H new ATOM 0 HG SER A 21 6.151 -10.397 -4.697 1.00 0.00 H new ATOM 287 N CYS A 22 3.657 -7.530 -2.623 1.00 0.00 N ATOM 288 CA CYS A 22 2.772 -7.786 -1.492 1.00 0.00 C ATOM 289 C CYS A 22 1.494 -8.466 -1.955 1.00 0.00 C ATOM 290 O CYS A 22 0.613 -7.830 -2.529 1.00 0.00 O ATOM 291 CB CYS A 22 2.433 -6.478 -0.775 1.00 0.00 C ATOM 292 SG CYS A 22 3.076 -6.376 0.925 1.00 0.00 S ATOM 0 H CYS A 22 3.173 -7.340 -3.500 1.00 0.00 H new ATOM 0 HA CYS A 22 3.290 -8.448 -0.798 1.00 0.00 H new ATOM 0 HB2 CYS A 22 2.832 -5.645 -1.354 1.00 0.00 H new ATOM 0 HB3 CYS A 22 1.350 -6.360 -0.750 1.00 0.00 H new ATOM 297 N ALA A 23 1.398 -9.765 -1.698 1.00 0.00 N ATOM 298 CA ALA A 23 0.226 -10.528 -2.090 1.00 0.00 C ATOM 299 C ALA A 23 -0.866 -10.436 -1.033 1.00 0.00 C ATOM 300 O ALA A 23 -0.617 -10.001 0.090 1.00 0.00 O ATOM 301 CB ALA A 23 0.598 -11.981 -2.347 1.00 0.00 C ATOM 0 H ALA A 23 2.117 -10.308 -1.221 1.00 0.00 H new ATOM 0 HA ALA A 23 -0.162 -10.099 -3.014 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -0.292 -12.538 -2.640 1.00 0.00 H new ATOM 0 HB2 ALA A 23 1.337 -12.031 -3.147 1.00 0.00 H new ATOM 0 HB3 ALA A 23 1.016 -12.416 -1.439 1.00 0.00 H new ATOM 307 N ALA A 24 -2.075 -10.845 -1.399 1.00 0.00 N ATOM 308 CA ALA A 24 -3.207 -10.808 -0.482 1.00 0.00 C ATOM 309 C ALA A 24 -4.378 -11.617 -1.030 1.00 0.00 C ATOM 310 O ALA A 24 -4.463 -11.860 -2.234 1.00 0.00 O ATOM 311 CB ALA A 24 -3.626 -9.368 -0.221 1.00 0.00 C ATOM 0 H ALA A 24 -2.297 -11.207 -2.327 1.00 0.00 H new ATOM 0 HA ALA A 24 -2.899 -11.259 0.462 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -4.473 -9.354 0.465 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -2.793 -8.821 0.219 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -3.913 -8.897 -1.161 1.00 0.00 H new ATOM 317 N SER A 25 -5.273 -12.037 -0.143 1.00 0.00 N ATOM 318 CA SER A 25 -6.432 -12.825 -0.547 1.00 0.00 C ATOM 319 C SER A 25 -7.581 -12.661 0.442 1.00 0.00 C ATOM 320 O SER A 25 -7.584 -13.276 1.510 1.00 0.00 O ATOM 321 CB SER A 25 -6.053 -14.302 -0.661 1.00 0.00 C ATOM 322 OG SER A 25 -5.872 -14.679 -2.015 1.00 0.00 O ATOM 0 H SER A 25 -5.219 -11.846 0.857 1.00 0.00 H new ATOM 0 HA SER A 25 -6.762 -12.461 -1.520 1.00 0.00 H new ATOM 0 HB2 SER A 25 -5.136 -14.490 -0.102 1.00 0.00 H new ATOM 0 HB3 SER A 25 -6.832 -14.916 -0.210 1.00 0.00 H new ATOM 0 HG SER A 25 -5.403 -13.964 -2.494 1.00 0.00 H new ATOM 328 N GLY A 26 -8.559 -11.835 0.080 1.00 0.00 N ATOM 329 CA GLY A 26 -9.698 -11.619 0.952 1.00 0.00 C ATOM 330 C GLY A 26 -10.491 -10.376 0.596 1.00 0.00 C ATOM 331 O GLY A 26 -11.418 -10.003 1.316 1.00 0.00 O ATOM 0 H GLY A 26 -8.583 -11.314 -0.797 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -10.355 -12.488 0.905 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -9.350 -11.538 1.982 1.00 0.00 H new ATOM 335 N PHE A 27 -10.132 -9.729 -0.511 1.00 0.00 N ATOM 336 CA PHE A 27 -10.832 -8.520 -0.938 1.00 0.00 C ATOM 337 C PHE A 27 -10.457 -8.121 -2.364 1.00 0.00 C ATOM 338 O PHE A 27 -11.126 -7.290 -2.977 1.00 0.00 O ATOM 339 CB PHE A 27 -10.538 -7.366 0.034 1.00 0.00 C ATOM 340 CG PHE A 27 -9.152 -6.771 -0.075 1.00 0.00 C ATOM 341 CD1 PHE A 27 -8.072 -7.522 -0.523 1.00 0.00 C ATOM 342 CD2 PHE A 27 -8.934 -5.450 0.281 1.00 0.00 C ATOM 343 CE1 PHE A 27 -6.810 -6.966 -0.613 1.00 0.00 C ATOM 344 CE2 PHE A 27 -7.673 -4.888 0.192 1.00 0.00 C ATOM 345 CZ PHE A 27 -6.611 -5.649 -0.256 1.00 0.00 C ATOM 0 H PHE A 27 -9.369 -10.018 -1.123 1.00 0.00 H new ATOM 0 HA PHE A 27 -11.901 -8.735 -0.928 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -11.270 -6.576 -0.133 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -10.683 -7.724 1.053 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -8.221 -8.554 -0.805 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -9.760 -4.850 0.633 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -5.980 -7.562 -0.963 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -7.519 -3.856 0.472 1.00 0.00 H new ATOM 0 HZ PHE A 27 -5.625 -5.213 -0.327 1.00 0.00 H new ATOM 355 N THR A 28 -9.383 -8.713 -2.882 1.00 0.00 N ATOM 356 CA THR A 28 -8.915 -8.416 -4.233 1.00 0.00 C ATOM 357 C THR A 28 -8.466 -6.961 -4.354 1.00 0.00 C ATOM 358 O THR A 28 -8.843 -6.115 -3.543 1.00 0.00 O ATOM 359 CB THR A 28 -10.003 -8.700 -5.288 1.00 0.00 C ATOM 360 OG1 THR A 28 -10.731 -9.883 -4.932 1.00 0.00 O ATOM 361 CG2 THR A 28 -9.392 -8.872 -6.670 1.00 0.00 C ATOM 0 H THR A 28 -8.820 -9.403 -2.385 1.00 0.00 H new ATOM 0 HA THR A 28 -8.065 -9.072 -4.421 1.00 0.00 H new ATOM 0 HB THR A 28 -10.681 -7.847 -5.315 1.00 0.00 H new ATOM 0 HG1 THR A 28 -11.422 -10.057 -5.605 1.00 0.00 H new ATOM 0 HG21 THR A 28 -10.181 -9.071 -7.395 1.00 0.00 H new ATOM 0 HG22 THR A 28 -8.864 -7.961 -6.950 1.00 0.00 H new ATOM 0 HG23 THR A 28 -8.692 -9.708 -6.657 1.00 0.00 H new ATOM 369 N PHE A 29 -7.656 -6.678 -5.368 1.00 0.00 N ATOM 370 CA PHE A 29 -7.151 -5.327 -5.593 1.00 0.00 C ATOM 371 C PHE A 29 -7.939 -4.624 -6.693 1.00 0.00 C ATOM 372 O PHE A 29 -9.022 -5.069 -7.074 1.00 0.00 O ATOM 373 CB PHE A 29 -5.667 -5.373 -5.965 1.00 0.00 C ATOM 374 CG PHE A 29 -4.749 -5.508 -4.783 1.00 0.00 C ATOM 375 CD1 PHE A 29 -4.948 -6.506 -3.841 1.00 0.00 C ATOM 376 CD2 PHE A 29 -3.683 -4.640 -4.617 1.00 0.00 C ATOM 377 CE1 PHE A 29 -4.100 -6.635 -2.757 1.00 0.00 C ATOM 378 CE2 PHE A 29 -2.834 -4.763 -3.535 1.00 0.00 C ATOM 379 CZ PHE A 29 -3.042 -5.761 -2.604 1.00 0.00 C ATOM 0 H PHE A 29 -7.334 -7.366 -6.048 1.00 0.00 H new ATOM 0 HA PHE A 29 -7.273 -4.763 -4.668 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -5.498 -6.210 -6.642 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -5.410 -4.465 -6.511 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -5.775 -7.191 -3.956 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -3.514 -3.858 -5.342 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -4.265 -7.418 -2.031 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -2.007 -4.078 -3.417 1.00 0.00 H new ATOM 0 HZ PHE A 29 -2.378 -5.858 -1.757 1.00 0.00 H new ATOM 389 N SER A 30 -7.385 -3.523 -7.197 1.00 0.00 N ATOM 390 CA SER A 30 -8.028 -2.749 -8.257 1.00 0.00 C ATOM 391 C SER A 30 -9.398 -2.245 -7.813 1.00 0.00 C ATOM 392 O SER A 30 -10.202 -1.801 -8.633 1.00 0.00 O ATOM 393 CB SER A 30 -8.168 -3.593 -9.525 1.00 0.00 C ATOM 394 OG SER A 30 -8.607 -2.804 -10.619 1.00 0.00 O ATOM 0 H SER A 30 -6.489 -3.146 -6.887 1.00 0.00 H new ATOM 0 HA SER A 30 -7.397 -1.887 -8.472 1.00 0.00 H new ATOM 0 HB2 SER A 30 -7.210 -4.054 -9.766 1.00 0.00 H new ATOM 0 HB3 SER A 30 -8.876 -4.403 -9.350 1.00 0.00 H new ATOM 0 HG SER A 30 -9.318 -2.199 -10.321 1.00 0.00 H new ATOM 400 N SER A 31 -9.655 -2.317 -6.512 1.00 0.00 N ATOM 401 CA SER A 31 -10.926 -1.869 -5.958 1.00 0.00 C ATOM 402 C SER A 31 -10.705 -1.058 -4.687 1.00 0.00 C ATOM 403 O SER A 31 -11.401 -0.073 -4.438 1.00 0.00 O ATOM 404 CB SER A 31 -11.829 -3.067 -5.663 1.00 0.00 C ATOM 405 OG SER A 31 -12.833 -3.204 -6.652 1.00 0.00 O ATOM 0 H SER A 31 -8.999 -2.682 -5.821 1.00 0.00 H new ATOM 0 HA SER A 31 -11.413 -1.231 -6.696 1.00 0.00 H new ATOM 0 HB2 SER A 31 -11.230 -3.976 -5.620 1.00 0.00 H new ATOM 0 HB3 SER A 31 -12.293 -2.945 -4.684 1.00 0.00 H new ATOM 0 HG SER A 31 -13.396 -3.978 -6.442 1.00 0.00 H new ATOM 411 N TYR A 32 -9.728 -1.476 -3.889 1.00 0.00 N ATOM 412 CA TYR A 32 -9.410 -0.787 -2.644 1.00 0.00 C ATOM 413 C TYR A 32 -8.110 -0.006 -2.774 1.00 0.00 C ATOM 414 O TYR A 32 -7.269 -0.314 -3.620 1.00 0.00 O ATOM 415 CB TYR A 32 -9.299 -1.789 -1.494 1.00 0.00 C ATOM 416 CG TYR A 32 -10.541 -2.630 -1.298 1.00 0.00 C ATOM 417 CD1 TYR A 32 -10.757 -3.774 -2.057 1.00 0.00 C ATOM 418 CD2 TYR A 32 -11.498 -2.282 -0.352 1.00 0.00 C ATOM 419 CE1 TYR A 32 -11.890 -4.545 -1.878 1.00 0.00 C ATOM 420 CE2 TYR A 32 -12.633 -3.049 -0.167 1.00 0.00 C ATOM 421 CZ TYR A 32 -12.824 -4.179 -0.933 1.00 0.00 C ATOM 422 OH TYR A 32 -13.952 -4.946 -0.753 1.00 0.00 O ATOM 0 H TYR A 32 -9.143 -2.289 -4.082 1.00 0.00 H new ATOM 0 HA TYR A 32 -10.217 -0.087 -2.431 1.00 0.00 H new ATOM 0 HB2 TYR A 32 -8.450 -2.448 -1.678 1.00 0.00 H new ATOM 0 HB3 TYR A 32 -9.088 -1.248 -0.572 1.00 0.00 H new ATOM 0 HD1 TYR A 32 -10.028 -4.065 -2.799 1.00 0.00 H new ATOM 0 HD2 TYR A 32 -11.352 -1.397 0.249 1.00 0.00 H new ATOM 0 HE1 TYR A 32 -12.043 -5.431 -2.476 1.00 0.00 H new ATOM 0 HE2 TYR A 32 -13.366 -2.765 0.573 1.00 0.00 H new ATOM 0 HH TYR A 32 -14.507 -4.551 -0.049 1.00 0.00 H new ATOM 432 N HIS A 33 -7.948 1.004 -1.929 1.00 0.00 N ATOM 433 CA HIS A 33 -6.746 1.829 -1.945 1.00 0.00 C ATOM 434 C HIS A 33 -5.707 1.280 -0.975 1.00 0.00 C ATOM 435 O HIS A 33 -5.735 1.584 0.214 1.00 0.00 O ATOM 436 CB HIS A 33 -7.088 3.277 -1.583 1.00 0.00 C ATOM 437 CG HIS A 33 -8.465 3.692 -2.000 1.00 0.00 C ATOM 438 ND1 HIS A 33 -8.749 4.214 -3.245 1.00 0.00 N ATOM 439 CD2 HIS A 33 -9.642 3.660 -1.330 1.00 0.00 C ATOM 440 CE1 HIS A 33 -10.041 4.484 -3.323 1.00 0.00 C ATOM 441 NE2 HIS A 33 -10.605 4.157 -2.173 1.00 0.00 N ATOM 0 H HIS A 33 -8.634 1.272 -1.223 1.00 0.00 H new ATOM 0 HA HIS A 33 -6.329 1.807 -2.952 1.00 0.00 H new ATOM 0 HB2 HIS A 33 -6.990 3.406 -0.505 1.00 0.00 H new ATOM 0 HB3 HIS A 33 -6.361 3.941 -2.051 1.00 0.00 H new ATOM 0 HD1 HIS A 33 -8.069 4.368 -3.989 1.00 0.00 H new ATOM 0 HD2 HIS A 33 -9.795 3.309 -0.320 1.00 0.00 H new ATOM 0 HE1 HIS A 33 -10.549 4.901 -4.180 1.00 0.00 H new ATOM 450 N MET A 34 -4.788 0.471 -1.488 1.00 0.00 N ATOM 451 CA MET A 34 -3.745 -0.114 -0.655 1.00 0.00 C ATOM 452 C MET A 34 -2.579 0.852 -0.495 1.00 0.00 C ATOM 453 O MET A 34 -2.539 1.903 -1.137 1.00 0.00 O ATOM 454 CB MET A 34 -3.252 -1.433 -1.251 1.00 0.00 C ATOM 455 CG MET A 34 -4.196 -2.599 -1.007 1.00 0.00 C ATOM 456 SD MET A 34 -3.694 -3.622 0.391 1.00 0.00 S ATOM 457 CE MET A 34 -1.964 -3.891 0.012 1.00 0.00 C ATOM 0 H MET A 34 -4.744 0.206 -2.472 1.00 0.00 H new ATOM 0 HA MET A 34 -4.173 -0.313 0.328 1.00 0.00 H new ATOM 0 HB2 MET A 34 -3.112 -1.308 -2.325 1.00 0.00 H new ATOM 0 HB3 MET A 34 -2.276 -1.671 -0.828 1.00 0.00 H new ATOM 0 HG2 MET A 34 -5.201 -2.216 -0.829 1.00 0.00 H new ATOM 0 HG3 MET A 34 -4.244 -3.216 -1.904 1.00 0.00 H new ATOM 0 HE1 MET A 34 -1.691 -4.916 0.265 1.00 0.00 H new ATOM 0 HE2 MET A 34 -1.794 -3.722 -1.051 1.00 0.00 H new ATOM 0 HE3 MET A 34 -1.353 -3.199 0.592 1.00 0.00 H new ATOM 467 N ALA A 35 -1.637 0.499 0.375 1.00 0.00 N ATOM 468 CA ALA A 35 -0.485 1.352 0.624 1.00 0.00 C ATOM 469 C ALA A 35 0.751 0.557 1.027 1.00 0.00 C ATOM 470 O ALA A 35 0.651 -0.537 1.590 1.00 0.00 O ATOM 471 CB ALA A 35 -0.822 2.366 1.705 1.00 0.00 C ATOM 0 H ALA A 35 -1.650 -0.366 0.915 1.00 0.00 H new ATOM 0 HA ALA A 35 -0.250 1.864 -0.309 1.00 0.00 H new ATOM 0 HB1 ALA A 35 0.043 3.003 1.889 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -1.662 2.980 1.379 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -1.089 1.843 2.623 1.00 0.00 H new ATOM 477 N TRP A 36 1.916 1.142 0.750 1.00 0.00 N ATOM 478 CA TRP A 36 3.200 0.539 1.085 1.00 0.00 C ATOM 479 C TRP A 36 3.788 1.247 2.302 1.00 0.00 C ATOM 480 O TRP A 36 4.202 2.401 2.216 1.00 0.00 O ATOM 481 CB TRP A 36 4.167 0.644 -0.096 1.00 0.00 C ATOM 482 CG TRP A 36 4.244 -0.599 -0.929 1.00 0.00 C ATOM 483 CD1 TRP A 36 3.862 -0.738 -2.232 1.00 0.00 C ATOM 484 CD2 TRP A 36 4.741 -1.879 -0.518 1.00 0.00 C ATOM 485 NE1 TRP A 36 4.090 -2.025 -2.656 1.00 0.00 N ATOM 486 CE2 TRP A 36 4.628 -2.745 -1.622 1.00 0.00 C ATOM 487 CE3 TRP A 36 5.268 -2.377 0.678 1.00 0.00 C ATOM 488 CZ2 TRP A 36 5.026 -4.079 -1.567 1.00 0.00 C ATOM 489 CZ3 TRP A 36 5.662 -3.701 0.730 1.00 0.00 C ATOM 490 CH2 TRP A 36 5.540 -4.538 -0.386 1.00 0.00 C ATOM 0 H TRP A 36 1.993 2.048 0.287 1.00 0.00 H new ATOM 0 HA TRP A 36 3.048 -0.516 1.313 1.00 0.00 H new ATOM 0 HB2 TRP A 36 3.862 1.476 -0.730 1.00 0.00 H new ATOM 0 HB3 TRP A 36 5.162 0.879 0.281 1.00 0.00 H new ATOM 0 HD1 TRP A 36 3.442 0.049 -2.841 1.00 0.00 H new ATOM 0 HE1 TRP A 36 3.891 -2.386 -3.589 1.00 0.00 H new ATOM 0 HE3 TRP A 36 5.365 -1.739 1.544 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 4.932 -4.727 -2.426 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 6.071 -4.097 1.648 1.00 0.00 H new ATOM 0 HH2 TRP A 36 5.858 -5.567 -0.312 1.00 0.00 H new ATOM 501 N VAL A 37 3.795 0.545 3.430 1.00 0.00 N ATOM 502 CA VAL A 37 4.287 1.082 4.698 1.00 0.00 C ATOM 503 C VAL A 37 5.696 0.592 5.001 1.00 0.00 C ATOM 504 O VAL A 37 6.194 -0.329 4.357 1.00 0.00 O ATOM 505 CB VAL A 37 3.353 0.654 5.851 1.00 0.00 C ATOM 506 CG1 VAL A 37 3.365 1.656 6.974 1.00 0.00 C ATOM 507 CG2 VAL A 37 1.936 0.449 5.334 1.00 0.00 C ATOM 0 H VAL A 37 3.459 -0.416 3.493 1.00 0.00 H new ATOM 0 HA VAL A 37 4.305 2.168 4.610 1.00 0.00 H new ATOM 0 HB VAL A 37 3.725 -0.290 6.248 1.00 0.00 H new ATOM 0 HG11 VAL A 37 2.696 1.322 7.767 1.00 0.00 H new ATOM 0 HG12 VAL A 37 4.377 1.749 7.368 1.00 0.00 H new ATOM 0 HG13 VAL A 37 3.030 2.624 6.601 1.00 0.00 H new ATOM 0 HG21 VAL A 37 1.288 0.148 6.157 1.00 0.00 H new ATOM 0 HG22 VAL A 37 1.567 1.380 4.904 1.00 0.00 H new ATOM 0 HG23 VAL A 37 1.936 -0.328 4.570 1.00 0.00 H new ATOM 517 N ARG A 38 6.350 1.232 5.970 1.00 0.00 N ATOM 518 CA ARG A 38 7.715 0.865 6.334 1.00 0.00 C ATOM 519 C ARG A 38 8.007 1.124 7.815 1.00 0.00 C ATOM 520 O ARG A 38 7.420 2.011 8.432 1.00 0.00 O ATOM 521 CB ARG A 38 8.701 1.640 5.458 1.00 0.00 C ATOM 522 CG ARG A 38 10.137 1.604 5.953 1.00 0.00 C ATOM 523 CD ARG A 38 10.829 2.932 5.714 1.00 0.00 C ATOM 524 NE ARG A 38 10.246 3.998 6.524 1.00 0.00 N ATOM 525 CZ ARG A 38 10.964 4.901 7.187 1.00 0.00 C ATOM 526 NH1 ARG A 38 12.290 4.868 7.136 1.00 0.00 N ATOM 527 NH2 ARG A 38 10.356 5.835 7.903 1.00 0.00 N ATOM 0 H ARG A 38 5.959 2.002 6.513 1.00 0.00 H new ATOM 0 HA ARG A 38 7.830 -0.206 6.167 1.00 0.00 H new ATOM 0 HB2 ARG A 38 8.667 1.235 4.447 1.00 0.00 H new ATOM 0 HB3 ARG A 38 8.376 2.679 5.396 1.00 0.00 H new ATOM 0 HG2 ARG A 38 10.153 1.368 7.017 1.00 0.00 H new ATOM 0 HG3 ARG A 38 10.681 0.809 5.443 1.00 0.00 H new ATOM 0 HD2 ARG A 38 11.890 2.837 5.947 1.00 0.00 H new ATOM 0 HD3 ARG A 38 10.756 3.196 4.659 1.00 0.00 H new ATOM 0 HE ARG A 38 9.229 4.054 6.585 1.00 0.00 H new ATOM 0 HH11 ARG A 38 12.762 4.149 6.587 1.00 0.00 H new ATOM 0 HH12 ARG A 38 12.837 5.562 7.645 1.00 0.00 H new ATOM 0 HH21 ARG A 38 9.337 5.862 7.946 1.00 0.00 H new ATOM 0 HH22 ARG A 38 10.907 6.527 8.411 1.00 0.00 H new ATOM 541 N GLN A 39 8.939 0.343 8.364 1.00 0.00 N ATOM 542 CA GLN A 39 9.350 0.467 9.759 1.00 0.00 C ATOM 543 C GLN A 39 10.866 0.333 9.865 1.00 0.00 C ATOM 544 O GLN A 39 11.449 -0.615 9.342 1.00 0.00 O ATOM 545 CB GLN A 39 8.672 -0.601 10.615 1.00 0.00 C ATOM 546 CG GLN A 39 9.059 -0.548 12.082 1.00 0.00 C ATOM 547 CD GLN A 39 7.863 -0.680 13.003 1.00 0.00 C ATOM 548 OE1 GLN A 39 7.073 0.382 13.102 1.00 0.00 O flip ATOM 549 NE2 GLN A 39 7.652 -1.727 13.618 1.00 0.00 N flip ATOM 0 H GLN A 39 9.428 -0.392 7.853 1.00 0.00 H new ATOM 0 HA GLN A 39 9.048 1.448 10.126 1.00 0.00 H new ATOM 0 HB2 GLN A 39 7.591 -0.489 10.530 1.00 0.00 H new ATOM 0 HB3 GLN A 39 8.923 -1.585 10.218 1.00 0.00 H new ATOM 0 HG2 GLN A 39 9.768 -1.347 12.296 1.00 0.00 H new ATOM 0 HG3 GLN A 39 9.569 0.394 12.286 1.00 0.00 H new ATOM 0 HE21 GLN A 39 8.287 -2.518 13.511 1.00 0.00 H new ATOM 0 HE22 GLN A 39 6.843 -1.802 14.234 1.00 0.00 H new ATOM 558 N ALA A 40 11.497 1.293 10.526 1.00 0.00 N ATOM 559 CA ALA A 40 12.950 1.294 10.676 1.00 0.00 C ATOM 560 C ALA A 40 13.353 1.460 12.144 1.00 0.00 C ATOM 561 O ALA A 40 12.487 1.576 13.001 1.00 0.00 O ATOM 562 CB ALA A 40 13.531 2.415 9.821 1.00 0.00 C ATOM 0 H ALA A 40 11.027 2.083 10.968 1.00 0.00 H new ATOM 0 HA ALA A 40 13.348 0.336 10.341 1.00 0.00 H new ATOM 0 HB1 ALA A 40 14.616 2.426 9.924 1.00 0.00 H new ATOM 0 HB2 ALA A 40 13.268 2.250 8.776 1.00 0.00 H new ATOM 0 HB3 ALA A 40 13.125 3.371 10.150 1.00 0.00 H new ATOM 618 N LEU A 45 6.265 3.451 11.797 1.00 0.00 N ATOM 619 CA LEU A 45 5.566 3.134 10.559 1.00 0.00 C ATOM 620 C LEU A 45 5.266 4.375 9.740 1.00 0.00 C ATOM 621 O LEU A 45 4.783 5.385 10.251 1.00 0.00 O ATOM 622 CB LEU A 45 4.267 2.373 10.823 1.00 0.00 C ATOM 623 CG LEU A 45 4.164 1.012 10.122 1.00 0.00 C ATOM 624 CD1 LEU A 45 5.423 0.208 10.356 1.00 0.00 C ATOM 625 CD2 LEU A 45 2.949 0.249 10.615 1.00 0.00 C ATOM 0 HA LEU A 45 6.239 2.496 9.987 1.00 0.00 H new ATOM 0 HB2 LEU A 45 4.163 2.221 11.897 1.00 0.00 H new ATOM 0 HB3 LEU A 45 3.428 2.993 10.506 1.00 0.00 H new ATOM 0 HG LEU A 45 4.051 1.181 9.051 1.00 0.00 H new ATOM 0 HD11 LEU A 45 5.338 -0.756 9.854 1.00 0.00 H new ATOM 0 HD12 LEU A 45 6.280 0.750 9.958 1.00 0.00 H new ATOM 0 HD13 LEU A 45 5.560 0.049 11.426 1.00 0.00 H new ATOM 0 HD21 LEU A 45 2.893 -0.713 10.106 1.00 0.00 H new ATOM 0 HD22 LEU A 45 3.032 0.087 11.690 1.00 0.00 H new ATOM 0 HD23 LEU A 45 2.048 0.824 10.403 1.00 0.00 H new ATOM 637 N GLU A 46 5.533 4.268 8.452 1.00 0.00 N ATOM 638 CA GLU A 46 5.278 5.346 7.518 1.00 0.00 C ATOM 639 C GLU A 46 4.496 4.805 6.337 1.00 0.00 C ATOM 640 O GLU A 46 4.943 3.876 5.664 1.00 0.00 O ATOM 641 CB GLU A 46 6.583 5.977 7.035 1.00 0.00 C ATOM 642 CG GLU A 46 6.379 7.006 5.938 1.00 0.00 C ATOM 643 CD GLU A 46 7.194 8.265 6.156 1.00 0.00 C ATOM 644 OE1 GLU A 46 6.891 9.011 7.111 1.00 0.00 O ATOM 645 OE2 GLU A 46 8.138 8.506 5.373 1.00 0.00 O ATOM 0 H GLU A 46 5.932 3.432 8.025 1.00 0.00 H new ATOM 0 HA GLU A 46 4.700 6.119 8.024 1.00 0.00 H new ATOM 0 HB2 GLU A 46 7.085 6.450 7.879 1.00 0.00 H new ATOM 0 HB3 GLU A 46 7.245 5.192 6.670 1.00 0.00 H new ATOM 0 HG2 GLU A 46 6.649 6.566 4.978 1.00 0.00 H new ATOM 0 HG3 GLU A 46 5.322 7.267 5.883 1.00 0.00 H new ATOM 652 N TRP A 47 3.325 5.379 6.097 1.00 0.00 N ATOM 653 CA TRP A 47 2.480 4.940 5.000 1.00 0.00 C ATOM 654 C TRP A 47 3.253 4.999 3.684 1.00 0.00 C ATOM 655 O TRP A 47 2.983 4.228 2.772 1.00 0.00 O ATOM 656 CB TRP A 47 1.196 5.784 4.948 1.00 0.00 C ATOM 657 CG TRP A 47 0.835 6.261 3.577 1.00 0.00 C ATOM 658 CD1 TRP A 47 0.559 5.490 2.490 1.00 0.00 C ATOM 659 CD2 TRP A 47 0.708 7.618 3.153 1.00 0.00 C ATOM 660 NE1 TRP A 47 0.308 6.287 1.403 1.00 0.00 N ATOM 661 CE2 TRP A 47 0.378 7.599 1.788 1.00 0.00 C ATOM 662 CE3 TRP A 47 0.850 8.845 3.796 1.00 0.00 C ATOM 663 CZ2 TRP A 47 0.188 8.765 1.053 1.00 0.00 C ATOM 664 CZ3 TRP A 47 0.658 10.004 3.069 1.00 0.00 C ATOM 665 CH2 TRP A 47 0.330 9.957 1.709 1.00 0.00 C ATOM 0 H TRP A 47 2.941 6.148 6.647 1.00 0.00 H new ATOM 0 HA TRP A 47 2.186 3.903 5.163 1.00 0.00 H new ATOM 0 HB2 TRP A 47 0.370 5.194 5.345 1.00 0.00 H new ATOM 0 HB3 TRP A 47 1.315 6.648 5.602 1.00 0.00 H new ATOM 0 HD1 TRP A 47 0.540 4.410 2.484 1.00 0.00 H new ATOM 0 HE1 TRP A 47 0.102 5.956 0.460 1.00 0.00 H new ATOM 0 HE3 TRP A 47 1.106 8.890 4.844 1.00 0.00 H new ATOM 0 HZ2 TRP A 47 -0.062 8.730 0.003 1.00 0.00 H new ATOM 0 HZ3 TRP A 47 0.763 10.961 3.558 1.00 0.00 H new ATOM 0 HH2 TRP A 47 0.186 10.880 1.167 1.00 0.00 H new ATOM 676 N VAL A 48 4.224 5.903 3.609 1.00 0.00 N ATOM 677 CA VAL A 48 5.061 6.055 2.419 1.00 0.00 C ATOM 678 C VAL A 48 4.247 6.291 1.142 1.00 0.00 C ATOM 679 O VAL A 48 4.185 7.416 0.649 1.00 0.00 O ATOM 680 CB VAL A 48 5.987 4.832 2.219 1.00 0.00 C ATOM 681 CG1 VAL A 48 6.591 4.819 0.819 1.00 0.00 C ATOM 682 CG2 VAL A 48 7.087 4.821 3.268 1.00 0.00 C ATOM 0 H VAL A 48 4.454 6.548 4.365 1.00 0.00 H new ATOM 0 HA VAL A 48 5.667 6.943 2.598 1.00 0.00 H new ATOM 0 HB VAL A 48 5.382 3.933 2.334 1.00 0.00 H new ATOM 0 HG11 VAL A 48 7.237 3.948 0.709 1.00 0.00 H new ATOM 0 HG12 VAL A 48 5.792 4.774 0.079 1.00 0.00 H new ATOM 0 HG13 VAL A 48 7.176 5.726 0.667 1.00 0.00 H new ATOM 0 HG21 VAL A 48 7.729 3.954 3.113 1.00 0.00 H new ATOM 0 HG22 VAL A 48 7.680 5.732 3.183 1.00 0.00 H new ATOM 0 HG23 VAL A 48 6.642 4.769 4.262 1.00 0.00 H new ATOM 692 N SER A 49 3.659 5.233 0.579 1.00 0.00 N ATOM 693 CA SER A 49 2.906 5.383 -0.671 1.00 0.00 C ATOM 694 C SER A 49 1.521 4.741 -0.630 1.00 0.00 C ATOM 695 O SER A 49 1.273 3.805 0.125 1.00 0.00 O ATOM 696 CB SER A 49 3.712 4.790 -1.827 1.00 0.00 C ATOM 697 OG SER A 49 4.997 5.381 -1.910 1.00 0.00 O ATOM 0 H SER A 49 3.686 4.286 0.956 1.00 0.00 H new ATOM 0 HA SER A 49 2.749 6.452 -0.815 1.00 0.00 H new ATOM 0 HB2 SER A 49 3.812 3.713 -1.690 1.00 0.00 H new ATOM 0 HB3 SER A 49 3.177 4.944 -2.764 1.00 0.00 H new ATOM 0 HG SER A 49 4.984 6.101 -2.575 1.00 0.00 H new ATOM 703 N THR A 50 0.628 5.263 -1.478 1.00 0.00 N ATOM 704 CA THR A 50 -0.743 4.766 -1.592 1.00 0.00 C ATOM 705 C THR A 50 -1.226 4.900 -3.035 1.00 0.00 C ATOM 706 O THR A 50 -1.003 5.928 -3.676 1.00 0.00 O ATOM 707 CB THR A 50 -1.712 5.530 -0.658 1.00 0.00 C ATOM 708 OG1 THR A 50 -1.726 4.921 0.634 1.00 0.00 O ATOM 709 CG2 THR A 50 -3.130 5.553 -1.210 1.00 0.00 C ATOM 0 H THR A 50 0.837 6.041 -2.103 1.00 0.00 H new ATOM 0 HA THR A 50 -0.737 3.718 -1.293 1.00 0.00 H new ATOM 0 HB THR A 50 -1.354 6.557 -0.588 1.00 0.00 H new ATOM 0 HG1 THR A 50 -1.255 5.496 1.272 1.00 0.00 H new ATOM 0 HG21 THR A 50 -3.778 6.099 -0.525 1.00 0.00 H new ATOM 0 HG22 THR A 50 -3.134 6.045 -2.183 1.00 0.00 H new ATOM 0 HG23 THR A 50 -3.495 4.532 -1.319 1.00 0.00 H new ATOM 717 N ILE A 51 -1.884 3.864 -3.543 1.00 0.00 N ATOM 718 CA ILE A 51 -2.388 3.889 -4.911 1.00 0.00 C ATOM 719 C ILE A 51 -3.911 3.809 -4.944 1.00 0.00 C ATOM 720 O ILE A 51 -4.523 3.075 -4.167 1.00 0.00 O ATOM 721 CB ILE A 51 -1.795 2.741 -5.755 1.00 0.00 C ATOM 722 CG1 ILE A 51 -2.264 2.846 -7.208 1.00 0.00 C ATOM 723 CG2 ILE A 51 -2.176 1.391 -5.164 1.00 0.00 C ATOM 724 CD1 ILE A 51 -1.158 2.624 -8.216 1.00 0.00 C ATOM 0 H ILE A 51 -2.080 3.003 -3.033 1.00 0.00 H new ATOM 0 HA ILE A 51 -2.074 4.839 -5.343 1.00 0.00 H new ATOM 0 HB ILE A 51 -0.709 2.827 -5.739 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -3.054 2.115 -7.380 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -2.701 3.831 -7.370 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -1.749 0.594 -5.773 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -1.791 1.317 -4.147 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -3.262 1.294 -5.149 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -1.562 2.713 -9.225 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -0.378 3.371 -8.070 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -0.737 1.628 -8.080 1.00 0.00 H new ATOM 736 N ASN A 52 -4.515 4.573 -5.848 1.00 0.00 N ATOM 737 CA ASN A 52 -5.966 4.598 -5.989 1.00 0.00 C ATOM 738 C ASN A 52 -6.386 4.093 -7.369 1.00 0.00 C ATOM 739 O ASN A 52 -6.057 4.703 -8.387 1.00 0.00 O ATOM 740 CB ASN A 52 -6.494 6.018 -5.771 1.00 0.00 C ATOM 741 CG ASN A 52 -7.966 6.155 -6.112 1.00 0.00 C ATOM 742 OD1 ASN A 52 -8.729 5.191 -6.027 1.00 0.00 O ATOM 743 ND2 ASN A 52 -8.372 7.357 -6.503 1.00 0.00 N ATOM 0 H ASN A 52 -4.020 5.185 -6.496 1.00 0.00 H new ATOM 0 HA ASN A 52 -6.393 3.938 -5.234 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -6.338 6.303 -4.731 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -5.918 6.713 -6.382 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -9.350 7.510 -6.747 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -7.706 8.127 -6.559 1.00 0.00 H new ATOM 750 N PRO A 53 -7.122 2.966 -7.423 1.00 0.00 N ATOM 751 CA PRO A 53 -7.585 2.385 -8.688 1.00 0.00 C ATOM 752 C PRO A 53 -8.635 3.254 -9.372 1.00 0.00 C ATOM 753 O PRO A 53 -9.194 4.166 -8.763 1.00 0.00 O ATOM 754 CB PRO A 53 -8.194 1.047 -8.265 1.00 0.00 C ATOM 755 CG PRO A 53 -8.587 1.243 -6.843 1.00 0.00 C ATOM 756 CD PRO A 53 -7.561 2.172 -6.259 1.00 0.00 C ATOM 0 HA PRO A 53 -6.776 2.289 -9.412 1.00 0.00 H new ATOM 0 HB2 PRO A 53 -9.055 0.791 -8.882 1.00 0.00 H new ATOM 0 HB3 PRO A 53 -7.475 0.234 -8.369 1.00 0.00 H new ATOM 0 HG2 PRO A 53 -9.587 1.669 -6.769 1.00 0.00 H new ATOM 0 HG3 PRO A 53 -8.605 0.294 -6.308 1.00 0.00 H new ATOM 0 HD2 PRO A 53 -7.987 2.803 -5.479 1.00 0.00 H new ATOM 0 HD3 PRO A 53 -6.732 1.625 -5.809 1.00 0.00 H new ATOM 764 N GLY A 54 -8.902 2.961 -10.641 1.00 0.00 N ATOM 765 CA GLY A 54 -9.887 3.723 -11.388 1.00 0.00 C ATOM 766 C GLY A 54 -9.270 4.861 -12.175 1.00 0.00 C ATOM 767 O GLY A 54 -9.101 4.763 -13.391 1.00 0.00 O ATOM 0 H GLY A 54 -8.454 2.210 -11.166 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -10.414 3.057 -12.072 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -10.630 4.124 -10.698 1.00 0.00 H new ATOM 771 N ASP A 55 -8.937 5.945 -11.482 1.00 0.00 N ATOM 772 CA ASP A 55 -8.338 7.111 -12.123 1.00 0.00 C ATOM 773 C ASP A 55 -6.838 6.918 -12.320 1.00 0.00 C ATOM 774 O ASP A 55 -6.358 6.820 -13.450 1.00 0.00 O ATOM 775 CB ASP A 55 -8.596 8.366 -11.289 1.00 0.00 C ATOM 776 CG ASP A 55 -10.026 8.854 -11.402 1.00 0.00 C ATOM 777 OD1 ASP A 55 -10.949 8.064 -11.108 1.00 0.00 O ATOM 778 OD2 ASP A 55 -10.225 10.027 -11.783 1.00 0.00 O ATOM 0 H ASP A 55 -9.072 6.041 -10.475 1.00 0.00 H new ATOM 0 HA ASP A 55 -8.801 7.231 -13.103 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -8.368 8.157 -10.244 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -7.919 9.157 -11.610 1.00 0.00 H new ATOM 783 N GLY A 56 -6.101 6.868 -11.214 1.00 0.00 N ATOM 784 CA GLY A 56 -4.664 6.692 -11.285 1.00 0.00 C ATOM 785 C GLY A 56 -3.927 7.622 -10.343 1.00 0.00 C ATOM 786 O GLY A 56 -2.714 7.507 -10.171 1.00 0.00 O ATOM 0 H GLY A 56 -6.476 6.947 -10.269 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -4.414 5.659 -11.043 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -4.328 6.871 -12.306 1.00 0.00 H new ATOM 790 N SER A 57 -4.667 8.541 -9.729 1.00 0.00 N ATOM 791 CA SER A 57 -4.082 9.494 -8.791 1.00 0.00 C ATOM 792 C SER A 57 -3.333 8.762 -7.686 1.00 0.00 C ATOM 793 O SER A 57 -3.816 7.762 -7.153 1.00 0.00 O ATOM 794 CB SER A 57 -5.169 10.381 -8.185 1.00 0.00 C ATOM 795 OG SER A 57 -5.100 11.699 -8.703 1.00 0.00 O ATOM 0 H SER A 57 -5.673 8.646 -9.864 1.00 0.00 H new ATOM 0 HA SER A 57 -3.378 10.123 -9.336 1.00 0.00 H new ATOM 0 HB2 SER A 57 -6.150 9.955 -8.396 1.00 0.00 H new ATOM 0 HB3 SER A 57 -5.059 10.407 -7.101 1.00 0.00 H new ATOM 0 HG SER A 57 -5.807 12.246 -8.301 1.00 0.00 H new ATOM 801 N THR A 58 -2.149 9.257 -7.352 1.00 0.00 N ATOM 802 CA THR A 58 -1.332 8.640 -6.318 1.00 0.00 C ATOM 803 C THR A 58 -1.108 9.583 -5.141 1.00 0.00 C ATOM 804 O THR A 58 -1.199 10.802 -5.280 1.00 0.00 O ATOM 805 CB THR A 58 0.035 8.207 -6.872 1.00 0.00 C ATOM 806 OG1 THR A 58 0.227 8.749 -8.183 1.00 0.00 O ATOM 807 CG2 THR A 58 0.143 6.692 -6.925 1.00 0.00 C ATOM 0 H THR A 58 -1.734 10.083 -7.782 1.00 0.00 H new ATOM 0 HA THR A 58 -1.879 7.763 -5.973 1.00 0.00 H new ATOM 0 HB THR A 58 0.808 8.587 -6.205 1.00 0.00 H new ATOM 0 HG1 THR A 58 1.101 8.470 -8.528 1.00 0.00 H new ATOM 0 HG21 THR A 58 1.119 6.410 -7.320 1.00 0.00 H new ATOM 0 HG22 THR A 58 0.027 6.284 -5.921 1.00 0.00 H new ATOM 0 HG23 THR A 58 -0.639 6.294 -7.572 1.00 0.00 H new ATOM 815 N TYR A 59 -0.804 9.003 -3.986 1.00 0.00 N ATOM 816 CA TYR A 59 -0.552 9.776 -2.776 1.00 0.00 C ATOM 817 C TYR A 59 0.734 9.305 -2.106 1.00 0.00 C ATOM 818 O TYR A 59 0.927 8.108 -1.893 1.00 0.00 O ATOM 819 CB TYR A 59 -1.724 9.643 -1.801 1.00 0.00 C ATOM 820 CG TYR A 59 -3.078 9.874 -2.434 1.00 0.00 C ATOM 821 CD1 TYR A 59 -3.627 11.149 -2.504 1.00 0.00 C ATOM 822 CD2 TYR A 59 -3.808 8.815 -2.959 1.00 0.00 C ATOM 823 CE1 TYR A 59 -4.866 11.361 -3.079 1.00 0.00 C ATOM 824 CE2 TYR A 59 -5.047 9.020 -3.536 1.00 0.00 C ATOM 825 CZ TYR A 59 -5.571 10.294 -3.594 1.00 0.00 C ATOM 826 OH TYR A 59 -6.805 10.501 -4.168 1.00 0.00 O ATOM 0 H TYR A 59 -0.726 7.994 -3.862 1.00 0.00 H new ATOM 0 HA TYR A 59 -0.444 10.824 -3.055 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -1.705 8.646 -1.360 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -1.589 10.355 -0.986 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -3.077 11.987 -2.103 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -3.401 7.816 -2.916 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -5.280 12.358 -3.125 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -5.602 8.186 -3.940 1.00 0.00 H new ATOM 0 HH TYR A 59 -7.167 9.646 -4.482 1.00 0.00 H new ATOM 836 N TYR A 60 1.614 10.246 -1.780 1.00 0.00 N ATOM 837 CA TYR A 60 2.881 9.913 -1.139 1.00 0.00 C ATOM 838 C TYR A 60 3.079 10.712 0.145 1.00 0.00 C ATOM 839 O TYR A 60 2.469 11.764 0.334 1.00 0.00 O ATOM 840 CB TYR A 60 4.050 10.179 -2.092 1.00 0.00 C ATOM 841 CG TYR A 60 4.170 9.171 -3.213 1.00 0.00 C ATOM 842 CD1 TYR A 60 3.218 9.105 -4.223 1.00 0.00 C ATOM 843 CD2 TYR A 60 5.243 8.290 -3.266 1.00 0.00 C ATOM 844 CE1 TYR A 60 3.331 8.188 -5.251 1.00 0.00 C ATOM 845 CE2 TYR A 60 5.363 7.372 -4.291 1.00 0.00 C ATOM 846 CZ TYR A 60 4.404 7.326 -5.281 1.00 0.00 C ATOM 847 OH TYR A 60 4.520 6.416 -6.305 1.00 0.00 O ATOM 0 H TYR A 60 1.474 11.242 -1.948 1.00 0.00 H new ATOM 0 HA TYR A 60 2.853 8.853 -0.887 1.00 0.00 H new ATOM 0 HB2 TYR A 60 3.936 11.174 -2.522 1.00 0.00 H new ATOM 0 HB3 TYR A 60 4.978 10.184 -1.520 1.00 0.00 H new ATOM 0 HD1 TYR A 60 2.376 9.781 -4.204 1.00 0.00 H new ATOM 0 HD2 TYR A 60 5.996 8.324 -2.493 1.00 0.00 H new ATOM 0 HE1 TYR A 60 2.581 8.148 -6.027 1.00 0.00 H new ATOM 0 HE2 TYR A 60 6.203 6.694 -4.317 1.00 0.00 H new ATOM 0 HH TYR A 60 5.267 6.670 -6.886 1.00 0.00 H new ATOM 857 N ALA A 61 3.943 10.205 1.019 1.00 0.00 N ATOM 858 CA ALA A 61 4.238 10.866 2.285 1.00 0.00 C ATOM 859 C ALA A 61 5.166 12.061 2.075 1.00 0.00 C ATOM 860 O ALA A 61 5.824 12.512 3.012 1.00 0.00 O ATOM 861 CB ALA A 61 4.857 9.878 3.265 1.00 0.00 C ATOM 0 H ALA A 61 4.453 9.334 0.872 1.00 0.00 H new ATOM 0 HA ALA A 61 3.301 11.235 2.703 1.00 0.00 H new ATOM 0 HB1 ALA A 61 5.072 10.385 4.206 1.00 0.00 H new ATOM 0 HB2 ALA A 61 4.160 9.059 3.445 1.00 0.00 H new ATOM 0 HB3 ALA A 61 5.782 9.482 2.847 1.00 0.00 H new ATOM 867 N ASP A 62 5.204 12.562 0.835 1.00 0.00 N ATOM 868 CA ASP A 62 6.040 13.708 0.467 1.00 0.00 C ATOM 869 C ASP A 62 7.509 13.312 0.338 1.00 0.00 C ATOM 870 O ASP A 62 8.121 13.511 -0.711 1.00 0.00 O ATOM 871 CB ASP A 62 5.892 14.843 1.482 1.00 0.00 C ATOM 872 CG ASP A 62 6.398 16.168 0.948 1.00 0.00 C ATOM 873 OD1 ASP A 62 7.633 16.339 0.858 1.00 0.00 O ATOM 874 OD2 ASP A 62 5.562 17.035 0.617 1.00 0.00 O ATOM 0 H ASP A 62 4.657 12.185 0.061 1.00 0.00 H new ATOM 0 HA ASP A 62 5.695 14.059 -0.505 1.00 0.00 H new ATOM 0 HB2 ASP A 62 4.843 14.944 1.759 1.00 0.00 H new ATOM 0 HB3 ASP A 62 6.439 14.588 2.390 1.00 0.00 H new ATOM 879 N SER A 63 8.072 12.756 1.405 1.00 0.00 N ATOM 880 CA SER A 63 9.471 12.341 1.405 1.00 0.00 C ATOM 881 C SER A 63 9.644 10.983 0.733 1.00 0.00 C ATOM 882 O SER A 63 10.538 10.215 1.087 1.00 0.00 O ATOM 883 CB SER A 63 10.005 12.283 2.835 1.00 0.00 C ATOM 884 OG SER A 63 10.814 13.410 3.125 1.00 0.00 O ATOM 0 H SER A 63 7.581 12.582 2.282 1.00 0.00 H new ATOM 0 HA SER A 63 10.039 13.079 0.838 1.00 0.00 H new ATOM 0 HB2 SER A 63 9.171 12.240 3.536 1.00 0.00 H new ATOM 0 HB3 SER A 63 10.585 11.370 2.973 1.00 0.00 H new ATOM 0 HG SER A 63 11.142 13.349 4.047 1.00 0.00 H new ATOM 890 N VAL A 64 8.785 10.693 -0.237 1.00 0.00 N ATOM 891 CA VAL A 64 8.847 9.429 -0.956 1.00 0.00 C ATOM 892 C VAL A 64 8.379 9.596 -2.395 1.00 0.00 C ATOM 893 O VAL A 64 8.548 8.699 -3.220 1.00 0.00 O ATOM 894 CB VAL A 64 7.991 8.346 -0.275 1.00 0.00 C ATOM 895 CG1 VAL A 64 8.774 7.661 0.833 1.00 0.00 C ATOM 896 CG2 VAL A 64 6.704 8.945 0.264 1.00 0.00 C ATOM 0 H VAL A 64 8.038 11.317 -0.543 1.00 0.00 H new ATOM 0 HA VAL A 64 9.890 9.113 -0.946 1.00 0.00 H new ATOM 0 HB VAL A 64 7.731 7.594 -1.020 1.00 0.00 H new ATOM 0 HG11 VAL A 64 8.151 6.899 1.301 1.00 0.00 H new ATOM 0 HG12 VAL A 64 9.665 7.194 0.414 1.00 0.00 H new ATOM 0 HG13 VAL A 64 9.069 8.398 1.580 1.00 0.00 H new ATOM 0 HG21 VAL A 64 6.112 8.165 0.742 1.00 0.00 H new ATOM 0 HG22 VAL A 64 6.941 9.719 0.994 1.00 0.00 H new ATOM 0 HG23 VAL A 64 6.134 9.382 -0.556 1.00 0.00 H new ATOM 906 N LYS A 65 7.790 10.753 -2.691 1.00 0.00 N ATOM 907 CA LYS A 65 7.301 11.032 -4.038 1.00 0.00 C ATOM 908 C LYS A 65 8.416 10.839 -5.062 1.00 0.00 C ATOM 909 O LYS A 65 8.170 10.424 -6.194 1.00 0.00 O ATOM 910 CB LYS A 65 6.746 12.456 -4.128 1.00 0.00 C ATOM 911 CG LYS A 65 5.906 12.700 -5.372 1.00 0.00 C ATOM 912 CD LYS A 65 4.561 11.996 -5.285 1.00 0.00 C ATOM 913 CE LYS A 65 3.483 12.755 -6.041 1.00 0.00 C ATOM 914 NZ LYS A 65 2.603 11.838 -6.817 1.00 0.00 N ATOM 0 H LYS A 65 7.641 11.507 -2.021 1.00 0.00 H new ATOM 0 HA LYS A 65 6.496 10.331 -4.259 1.00 0.00 H new ATOM 0 HB2 LYS A 65 6.141 12.658 -3.245 1.00 0.00 H new ATOM 0 HB3 LYS A 65 7.576 13.163 -4.115 1.00 0.00 H new ATOM 0 HG2 LYS A 65 5.749 13.771 -5.502 1.00 0.00 H new ATOM 0 HG3 LYS A 65 6.446 12.348 -6.251 1.00 0.00 H new ATOM 0 HD2 LYS A 65 4.650 10.988 -5.691 1.00 0.00 H new ATOM 0 HD3 LYS A 65 4.270 11.894 -4.240 1.00 0.00 H new ATOM 0 HE2 LYS A 65 2.880 13.328 -5.337 1.00 0.00 H new ATOM 0 HE3 LYS A 65 3.949 13.471 -6.718 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 1.880 12.392 -7.319 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 3.175 11.309 -7.506 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 2.139 11.171 -6.168 1.00 0.00 H new ATOM 928 N GLY A 66 9.644 11.130 -4.645 1.00 0.00 N ATOM 929 CA GLY A 66 10.789 10.971 -5.523 1.00 0.00 C ATOM 930 C GLY A 66 11.736 9.901 -5.023 1.00 0.00 C ATOM 931 O GLY A 66 12.800 9.677 -5.603 1.00 0.00 O ATOM 0 H GLY A 66 9.867 11.474 -3.711 1.00 0.00 H new ATOM 0 HA2 GLY A 66 10.446 10.713 -6.525 1.00 0.00 H new ATOM 0 HA3 GLY A 66 11.321 11.919 -5.602 1.00 0.00 H new ATOM 935 N ARG A 67 11.342 9.244 -3.938 1.00 0.00 N ATOM 936 CA ARG A 67 12.149 8.190 -3.336 1.00 0.00 C ATOM 937 C ARG A 67 11.696 6.816 -3.813 1.00 0.00 C ATOM 938 O ARG A 67 12.436 6.107 -4.496 1.00 0.00 O ATOM 939 CB ARG A 67 12.047 8.261 -1.812 1.00 0.00 C ATOM 940 CG ARG A 67 13.082 7.416 -1.094 1.00 0.00 C ATOM 941 CD ARG A 67 14.387 8.174 -0.927 1.00 0.00 C ATOM 942 NE ARG A 67 14.169 9.531 -0.437 1.00 0.00 N ATOM 943 CZ ARG A 67 14.645 10.617 -1.040 1.00 0.00 C ATOM 944 NH1 ARG A 67 15.367 10.502 -2.147 1.00 0.00 N ATOM 945 NH2 ARG A 67 14.397 11.820 -0.538 1.00 0.00 N ATOM 0 H ARG A 67 10.462 9.425 -3.455 1.00 0.00 H new ATOM 0 HA ARG A 67 13.185 8.339 -3.641 1.00 0.00 H new ATOM 0 HB2 ARG A 67 12.156 9.299 -1.497 1.00 0.00 H new ATOM 0 HB3 ARG A 67 11.052 7.938 -1.507 1.00 0.00 H new ATOM 0 HG2 ARG A 67 12.701 7.122 -0.116 1.00 0.00 H new ATOM 0 HG3 ARG A 67 13.260 6.499 -1.655 1.00 0.00 H new ATOM 0 HD2 ARG A 67 15.033 7.637 -0.232 1.00 0.00 H new ATOM 0 HD3 ARG A 67 14.909 8.213 -1.883 1.00 0.00 H new ATOM 0 HE ARG A 67 13.621 9.654 0.415 1.00 0.00 H new ATOM 0 HH11 ARG A 67 15.558 9.579 -2.538 1.00 0.00 H new ATOM 0 HH12 ARG A 67 15.731 11.336 -2.608 1.00 0.00 H new ATOM 0 HH21 ARG A 67 13.841 11.913 0.312 1.00 0.00 H new ATOM 0 HH22 ARG A 67 14.763 12.652 -1.002 1.00 0.00 H new ATOM 959 N PHE A 68 10.478 6.445 -3.439 1.00 0.00 N ATOM 960 CA PHE A 68 9.921 5.154 -3.817 1.00 0.00 C ATOM 961 C PHE A 68 8.811 5.313 -4.846 1.00 0.00 C ATOM 962 O PHE A 68 8.233 6.390 -4.993 1.00 0.00 O ATOM 963 CB PHE A 68 9.368 4.440 -2.584 1.00 0.00 C ATOM 964 CG PHE A 68 10.396 4.162 -1.528 1.00 0.00 C ATOM 965 CD1 PHE A 68 11.424 3.268 -1.764 1.00 0.00 C ATOM 966 CD2 PHE A 68 10.332 4.796 -0.298 1.00 0.00 C ATOM 967 CE1 PHE A 68 12.369 3.007 -0.792 1.00 0.00 C ATOM 968 CE2 PHE A 68 11.275 4.541 0.677 1.00 0.00 C ATOM 969 CZ PHE A 68 12.295 3.645 0.429 1.00 0.00 C ATOM 0 H PHE A 68 9.856 7.022 -2.873 1.00 0.00 H new ATOM 0 HA PHE A 68 10.722 4.561 -4.258 1.00 0.00 H new ATOM 0 HB2 PHE A 68 8.573 5.047 -2.151 1.00 0.00 H new ATOM 0 HB3 PHE A 68 8.917 3.498 -2.894 1.00 0.00 H new ATOM 0 HD1 PHE A 68 11.488 2.768 -2.719 1.00 0.00 H new ATOM 0 HD2 PHE A 68 9.535 5.498 -0.100 1.00 0.00 H new ATOM 0 HE1 PHE A 68 13.165 2.304 -0.987 1.00 0.00 H new ATOM 0 HE2 PHE A 68 11.215 5.042 1.632 1.00 0.00 H new ATOM 0 HZ PHE A 68 13.034 3.444 1.190 1.00 0.00 H new ATOM 979 N THR A 69 8.506 4.225 -5.542 1.00 0.00 N ATOM 980 CA THR A 69 7.450 4.230 -6.544 1.00 0.00 C ATOM 981 C THR A 69 6.415 3.165 -6.225 1.00 0.00 C ATOM 982 O THR A 69 6.750 2.003 -6.020 1.00 0.00 O ATOM 983 CB THR A 69 7.999 3.990 -7.966 1.00 0.00 C ATOM 984 OG1 THR A 69 8.727 5.142 -8.411 1.00 0.00 O ATOM 985 CG2 THR A 69 6.868 3.689 -8.946 1.00 0.00 C ATOM 0 H THR A 69 8.976 3.327 -5.430 1.00 0.00 H new ATOM 0 HA THR A 69 6.991 5.218 -6.517 1.00 0.00 H new ATOM 0 HB THR A 69 8.665 3.128 -7.931 1.00 0.00 H new ATOM 0 HG1 THR A 69 9.074 4.981 -9.313 1.00 0.00 H new ATOM 0 HG21 THR A 69 7.283 3.524 -9.940 1.00 0.00 H new ATOM 0 HG22 THR A 69 6.334 2.795 -8.622 1.00 0.00 H new ATOM 0 HG23 THR A 69 6.178 4.533 -8.976 1.00 0.00 H new ATOM 993 N ILE A 70 5.160 3.568 -6.187 1.00 0.00 N ATOM 994 CA ILE A 70 4.076 2.649 -5.887 1.00 0.00 C ATOM 995 C ILE A 70 3.359 2.229 -7.167 1.00 0.00 C ATOM 996 O ILE A 70 3.093 3.049 -8.047 1.00 0.00 O ATOM 997 CB ILE A 70 3.073 3.285 -4.893 1.00 0.00 C ATOM 998 CG1 ILE A 70 2.579 2.234 -3.888 1.00 0.00 C ATOM 999 CG2 ILE A 70 1.906 3.941 -5.627 1.00 0.00 C ATOM 1000 CD1 ILE A 70 1.235 2.554 -3.270 1.00 0.00 C ATOM 0 H ILE A 70 4.864 4.528 -6.360 1.00 0.00 H new ATOM 0 HA ILE A 70 4.505 1.762 -5.421 1.00 0.00 H new ATOM 0 HB ILE A 70 3.590 4.070 -4.341 1.00 0.00 H new ATOM 0 HG12 ILE A 70 2.515 1.269 -4.390 1.00 0.00 H new ATOM 0 HG13 ILE A 70 3.317 2.132 -3.093 1.00 0.00 H new ATOM 0 HG21 ILE A 70 1.220 4.378 -4.902 1.00 0.00 H new ATOM 0 HG22 ILE A 70 2.284 4.723 -6.286 1.00 0.00 H new ATOM 0 HG23 ILE A 70 1.380 3.191 -6.218 1.00 0.00 H new ATOM 0 HD11 ILE A 70 0.958 1.764 -2.573 1.00 0.00 H new ATOM 0 HD12 ILE A 70 1.296 3.503 -2.737 1.00 0.00 H new ATOM 0 HD13 ILE A 70 0.482 2.626 -4.055 1.00 0.00 H new ATOM 1012 N SER A 71 3.070 0.938 -7.268 1.00 0.00 N ATOM 1013 CA SER A 71 2.400 0.393 -8.439 1.00 0.00 C ATOM 1014 C SER A 71 1.504 -0.773 -8.047 1.00 0.00 C ATOM 1015 O SER A 71 1.656 -1.351 -6.971 1.00 0.00 O ATOM 1016 CB SER A 71 3.429 -0.063 -9.476 1.00 0.00 C ATOM 1017 OG SER A 71 4.532 0.826 -9.526 1.00 0.00 O ATOM 0 H SER A 71 3.290 0.248 -6.550 1.00 0.00 H new ATOM 0 HA SER A 71 1.782 1.177 -8.876 1.00 0.00 H new ATOM 0 HB2 SER A 71 3.777 -1.066 -9.230 1.00 0.00 H new ATOM 0 HB3 SER A 71 2.959 -0.120 -10.458 1.00 0.00 H new ATOM 0 HG SER A 71 5.176 0.512 -10.195 1.00 0.00 H new ATOM 1023 N ARG A 72 0.570 -1.112 -8.925 1.00 0.00 N ATOM 1024 CA ARG A 72 -0.355 -2.210 -8.667 1.00 0.00 C ATOM 1025 C ARG A 72 -1.092 -2.621 -9.937 1.00 0.00 C ATOM 1026 O ARG A 72 -1.462 -1.779 -10.754 1.00 0.00 O ATOM 1027 CB ARG A 72 -1.362 -1.808 -7.585 1.00 0.00 C ATOM 1028 CG ARG A 72 -2.516 -2.786 -7.424 1.00 0.00 C ATOM 1029 CD ARG A 72 -3.812 -2.065 -7.099 1.00 0.00 C ATOM 1030 NE ARG A 72 -4.590 -1.767 -8.298 1.00 0.00 N ATOM 1031 CZ ARG A 72 -4.499 -0.625 -8.973 1.00 0.00 C ATOM 1032 NH1 ARG A 72 -3.665 0.325 -8.569 1.00 0.00 N ATOM 1033 NH2 ARG A 72 -5.243 -0.429 -10.055 1.00 0.00 N ATOM 0 H ARG A 72 0.432 -0.644 -9.821 1.00 0.00 H new ATOM 0 HA ARG A 72 0.226 -3.064 -8.319 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -0.840 -1.717 -6.632 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -1.764 -0.823 -7.824 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -2.638 -3.361 -8.342 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -2.285 -3.497 -6.631 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -4.408 -2.679 -6.424 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -3.588 -1.137 -6.573 1.00 0.00 H new ATOM 0 HE ARG A 72 -5.241 -2.475 -8.637 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -3.091 0.180 -7.738 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -3.598 1.200 -9.089 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -5.886 -1.155 -10.370 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -5.171 0.448 -10.571 1.00 0.00 H new ATOM 1047 N ASP A 73 -1.308 -3.924 -10.088 1.00 0.00 N ATOM 1048 CA ASP A 73 -2.007 -4.455 -11.251 1.00 0.00 C ATOM 1049 C ASP A 73 -3.513 -4.461 -11.014 1.00 0.00 C ATOM 1050 O ASP A 73 -3.975 -4.744 -9.908 1.00 0.00 O ATOM 1051 CB ASP A 73 -1.528 -5.874 -11.560 1.00 0.00 C ATOM 1052 CG ASP A 73 -0.919 -5.990 -12.944 1.00 0.00 C ATOM 1053 OD1 ASP A 73 -1.442 -5.347 -13.879 1.00 0.00 O ATOM 1054 OD2 ASP A 73 0.080 -6.724 -13.093 1.00 0.00 O ATOM 0 H ASP A 73 -1.008 -4.632 -9.418 1.00 0.00 H new ATOM 0 HA ASP A 73 -1.786 -3.812 -12.103 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -0.791 -6.176 -10.815 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -2.367 -6.564 -11.476 1.00 0.00 H new ATOM 1059 N ASN A 74 -4.274 -4.153 -12.059 1.00 0.00 N ATOM 1060 CA ASN A 74 -5.730 -4.129 -11.960 1.00 0.00 C ATOM 1061 C ASN A 74 -6.313 -5.505 -12.262 1.00 0.00 C ATOM 1062 O ASN A 74 -7.270 -5.631 -13.028 1.00 0.00 O ATOM 1063 CB ASN A 74 -6.315 -3.088 -12.918 1.00 0.00 C ATOM 1064 CG ASN A 74 -5.423 -2.836 -14.118 1.00 0.00 C ATOM 1065 OD1 ASN A 74 -4.942 -1.722 -14.325 1.00 0.00 O ATOM 1066 ND2 ASN A 74 -5.200 -3.872 -14.919 1.00 0.00 N ATOM 0 H ASN A 74 -3.909 -3.917 -12.982 1.00 0.00 H new ATOM 0 HA ASN A 74 -5.997 -3.855 -10.939 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -7.293 -3.424 -13.261 1.00 0.00 H new ATOM 0 HB3 ASN A 74 -6.470 -2.152 -12.382 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -4.610 -3.761 -15.744 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -5.619 -4.778 -14.710 1.00 0.00 H new ATOM 1073 N ALA A 75 -5.732 -6.536 -11.655 1.00 0.00 N ATOM 1074 CA ALA A 75 -6.192 -7.904 -11.860 1.00 0.00 C ATOM 1075 C ALA A 75 -5.824 -8.796 -10.678 1.00 0.00 C ATOM 1076 O ALA A 75 -6.693 -9.228 -9.920 1.00 0.00 O ATOM 1077 CB ALA A 75 -5.612 -8.468 -13.148 1.00 0.00 C ATOM 0 H ALA A 75 -4.941 -6.449 -11.017 1.00 0.00 H new ATOM 0 HA ALA A 75 -7.279 -7.884 -11.939 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -5.964 -9.490 -13.289 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -5.932 -7.855 -13.990 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -4.524 -8.464 -13.089 1.00 0.00 H new ATOM 1083 N LYS A 76 -4.532 -9.069 -10.530 1.00 0.00 N ATOM 1084 CA LYS A 76 -4.046 -9.912 -9.443 1.00 0.00 C ATOM 1085 C LYS A 76 -3.956 -9.130 -8.136 1.00 0.00 C ATOM 1086 O LYS A 76 -3.654 -7.937 -8.133 1.00 0.00 O ATOM 1087 CB LYS A 76 -2.675 -10.493 -9.801 1.00 0.00 C ATOM 1088 CG LYS A 76 -2.076 -11.369 -8.714 1.00 0.00 C ATOM 1089 CD LYS A 76 -0.734 -11.944 -9.140 1.00 0.00 C ATOM 1090 CE LYS A 76 -0.875 -13.371 -9.644 1.00 0.00 C ATOM 1091 NZ LYS A 76 0.033 -13.647 -10.791 1.00 0.00 N ATOM 0 H LYS A 76 -3.802 -8.718 -11.150 1.00 0.00 H new ATOM 0 HA LYS A 76 -4.757 -10.726 -9.303 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -2.767 -11.078 -10.716 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -1.988 -9.674 -10.014 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -1.950 -10.785 -7.802 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -2.764 -12.182 -8.480 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -0.302 -11.321 -9.923 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -0.043 -11.921 -8.297 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -0.657 -14.066 -8.833 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -1.907 -13.549 -9.947 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -0.094 -14.630 -11.105 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -0.192 -13.001 -11.575 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 1.020 -13.502 -10.495 1.00 0.00 H new ATOM 1105 N ASN A 77 -4.216 -9.817 -7.026 1.00 0.00 N ATOM 1106 CA ASN A 77 -4.163 -9.193 -5.706 1.00 0.00 C ATOM 1107 C ASN A 77 -2.720 -9.061 -5.230 1.00 0.00 C ATOM 1108 O ASN A 77 -2.218 -9.915 -4.498 1.00 0.00 O ATOM 1109 CB ASN A 77 -4.970 -10.008 -4.691 1.00 0.00 C ATOM 1110 CG ASN A 77 -5.456 -11.330 -5.252 1.00 0.00 C ATOM 1111 OD1 ASN A 77 -6.486 -11.389 -5.926 1.00 0.00 O ATOM 1112 ND2 ASN A 77 -4.717 -12.397 -4.978 1.00 0.00 N ATOM 0 H ASN A 77 -4.465 -10.806 -7.014 1.00 0.00 H new ATOM 0 HA ASN A 77 -4.600 -8.198 -5.787 1.00 0.00 H new ATOM 0 HB2 ASN A 77 -4.354 -10.196 -3.811 1.00 0.00 H new ATOM 0 HB3 ASN A 77 -5.827 -9.422 -4.361 1.00 0.00 H new ATOM 0 HD21 ASN A 77 -4.994 -13.313 -5.330 1.00 0.00 H new ATOM 0 HD22 ASN A 77 -3.871 -12.301 -4.416 1.00 0.00 H new ATOM 1119 N THR A 78 -2.053 -7.989 -5.650 1.00 0.00 N ATOM 1120 CA THR A 78 -0.667 -7.759 -5.262 1.00 0.00 C ATOM 1121 C THR A 78 -0.301 -6.279 -5.322 1.00 0.00 C ATOM 1122 O THR A 78 -0.921 -5.500 -6.046 1.00 0.00 O ATOM 1123 CB THR A 78 0.308 -8.548 -6.155 1.00 0.00 C ATOM 1124 OG1 THR A 78 -0.333 -9.720 -6.670 1.00 0.00 O ATOM 1125 CG2 THR A 78 1.554 -8.947 -5.378 1.00 0.00 C ATOM 0 H THR A 78 -2.449 -7.270 -6.256 1.00 0.00 H new ATOM 0 HA THR A 78 -0.577 -8.107 -4.233 1.00 0.00 H new ATOM 0 HB THR A 78 0.605 -7.904 -6.983 1.00 0.00 H new ATOM 0 HG1 THR A 78 0.298 -10.469 -6.660 1.00 0.00 H new ATOM 0 HG21 THR A 78 2.227 -9.503 -6.030 1.00 0.00 H new ATOM 0 HG22 THR A 78 2.058 -8.052 -5.015 1.00 0.00 H new ATOM 0 HG23 THR A 78 1.270 -9.572 -4.532 1.00 0.00 H new ATOM 1133 N LEU A 79 0.721 -5.908 -4.557 1.00 0.00 N ATOM 1134 CA LEU A 79 1.199 -4.530 -4.511 1.00 0.00 C ATOM 1135 C LEU A 79 2.715 -4.497 -4.678 1.00 0.00 C ATOM 1136 O LEU A 79 3.440 -5.182 -3.956 1.00 0.00 O ATOM 1137 CB LEU A 79 0.800 -3.872 -3.185 1.00 0.00 C ATOM 1138 CG LEU A 79 0.925 -2.347 -3.147 1.00 0.00 C ATOM 1139 CD1 LEU A 79 -0.036 -1.700 -4.132 1.00 0.00 C ATOM 1140 CD2 LEU A 79 0.674 -1.828 -1.739 1.00 0.00 C ATOM 0 H LEU A 79 1.238 -6.549 -3.955 1.00 0.00 H new ATOM 0 HA LEU A 79 0.741 -3.973 -5.328 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -0.232 -4.141 -2.961 1.00 0.00 H new ATOM 0 HB3 LEU A 79 1.418 -4.290 -2.390 1.00 0.00 H new ATOM 0 HG LEU A 79 1.941 -2.081 -3.439 1.00 0.00 H new ATOM 0 HD11 LEU A 79 0.071 -0.616 -4.087 1.00 0.00 H new ATOM 0 HD12 LEU A 79 0.190 -2.045 -5.141 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -1.059 -1.974 -3.875 1.00 0.00 H new ATOM 0 HD21 LEU A 79 0.767 -0.742 -1.730 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -0.330 -2.109 -1.421 1.00 0.00 H new ATOM 0 HD23 LEU A 79 1.405 -2.260 -1.056 1.00 0.00 H new ATOM 1152 N TYR A 80 3.191 -3.717 -5.642 1.00 0.00 N ATOM 1153 CA TYR A 80 4.624 -3.622 -5.905 1.00 0.00 C ATOM 1154 C TYR A 80 5.135 -2.196 -5.742 1.00 0.00 C ATOM 1155 O TYR A 80 4.413 -1.231 -5.990 1.00 0.00 O ATOM 1156 CB TYR A 80 4.940 -4.110 -7.321 1.00 0.00 C ATOM 1157 CG TYR A 80 4.356 -5.465 -7.649 1.00 0.00 C ATOM 1158 CD1 TYR A 80 3.015 -5.604 -7.984 1.00 0.00 C ATOM 1159 CD2 TYR A 80 5.149 -6.604 -7.631 1.00 0.00 C ATOM 1160 CE1 TYR A 80 2.480 -6.841 -8.288 1.00 0.00 C ATOM 1161 CE2 TYR A 80 4.622 -7.845 -7.935 1.00 0.00 C ATOM 1162 CZ TYR A 80 3.288 -7.958 -8.262 1.00 0.00 C ATOM 1163 OH TYR A 80 2.758 -9.191 -8.564 1.00 0.00 O ATOM 0 H TYR A 80 2.609 -3.143 -6.253 1.00 0.00 H new ATOM 0 HA TYR A 80 5.128 -4.255 -5.174 1.00 0.00 H new ATOM 0 HB2 TYR A 80 4.564 -3.380 -8.038 1.00 0.00 H new ATOM 0 HB3 TYR A 80 6.022 -4.152 -7.447 1.00 0.00 H new ATOM 0 HD1 TYR A 80 2.380 -4.731 -8.007 1.00 0.00 H new ATOM 0 HD2 TYR A 80 6.195 -6.519 -7.375 1.00 0.00 H new ATOM 0 HE1 TYR A 80 1.435 -6.933 -8.545 1.00 0.00 H new ATOM 0 HE2 TYR A 80 5.252 -8.722 -7.916 1.00 0.00 H new ATOM 0 HH TYR A 80 3.459 -9.873 -8.501 1.00 0.00 H new ATOM 1173 N LEU A 81 6.399 -2.079 -5.348 1.00 0.00 N ATOM 1174 CA LEU A 81 7.036 -0.781 -5.176 1.00 0.00 C ATOM 1175 C LEU A 81 8.472 -0.828 -5.680 1.00 0.00 C ATOM 1176 O LEU A 81 9.168 -1.831 -5.505 1.00 0.00 O ATOM 1177 CB LEU A 81 7.019 -0.336 -3.708 1.00 0.00 C ATOM 1178 CG LEU A 81 7.617 1.054 -3.453 1.00 0.00 C ATOM 1179 CD1 LEU A 81 6.543 2.043 -3.032 1.00 0.00 C ATOM 1180 CD2 LEU A 81 8.709 0.991 -2.402 1.00 0.00 C ATOM 0 H LEU A 81 7.004 -2.873 -5.141 1.00 0.00 H new ATOM 0 HA LEU A 81 6.468 -0.055 -5.759 1.00 0.00 H new ATOM 0 HB2 LEU A 81 5.989 -0.344 -3.352 1.00 0.00 H new ATOM 0 HB3 LEU A 81 7.568 -1.067 -3.114 1.00 0.00 H new ATOM 0 HG LEU A 81 8.056 1.399 -4.389 1.00 0.00 H new ATOM 0 HD11 LEU A 81 6.995 3.019 -2.858 1.00 0.00 H new ATOM 0 HD12 LEU A 81 5.795 2.125 -3.820 1.00 0.00 H new ATOM 0 HD13 LEU A 81 6.067 1.695 -2.115 1.00 0.00 H new ATOM 0 HD21 LEU A 81 9.116 1.989 -2.240 1.00 0.00 H new ATOM 0 HD22 LEU A 81 8.294 0.613 -1.468 1.00 0.00 H new ATOM 0 HD23 LEU A 81 9.503 0.326 -2.742 1.00 0.00 H new ATOM 1192 N GLN A 82 8.910 0.261 -6.297 1.00 0.00 N ATOM 1193 CA GLN A 82 10.264 0.347 -6.820 1.00 0.00 C ATOM 1194 C GLN A 82 11.119 1.208 -5.902 1.00 0.00 C ATOM 1195 O GLN A 82 10.953 2.427 -5.840 1.00 0.00 O ATOM 1196 CB GLN A 82 10.259 0.927 -8.236 1.00 0.00 C ATOM 1197 CG GLN A 82 11.305 0.309 -9.151 1.00 0.00 C ATOM 1198 CD GLN A 82 11.292 -1.207 -9.119 1.00 0.00 C ATOM 1199 OE1 GLN A 82 10.284 -1.837 -9.443 1.00 0.00 O ATOM 1200 NE2 GLN A 82 12.413 -1.801 -8.727 1.00 0.00 N ATOM 0 H GLN A 82 8.346 1.097 -6.447 1.00 0.00 H new ATOM 0 HA GLN A 82 10.686 -0.657 -6.863 1.00 0.00 H new ATOM 0 HB2 GLN A 82 9.272 0.782 -8.676 1.00 0.00 H new ATOM 0 HB3 GLN A 82 10.427 2.002 -8.180 1.00 0.00 H new ATOM 0 HG2 GLN A 82 11.133 0.648 -10.173 1.00 0.00 H new ATOM 0 HG3 GLN A 82 12.293 0.666 -8.859 1.00 0.00 H new ATOM 0 HE21 GLN A 82 13.224 -1.239 -8.468 1.00 0.00 H new ATOM 0 HE22 GLN A 82 12.463 -2.819 -8.685 1.00 0.00 H new ATOM 1209 N MET A 83 12.021 0.558 -5.180 1.00 0.00 N ATOM 1210 CA MET A 83 12.897 1.244 -4.246 1.00 0.00 C ATOM 1211 C MET A 83 14.134 1.787 -4.950 1.00 0.00 C ATOM 1212 O MET A 83 15.086 1.052 -5.215 1.00 0.00 O ATOM 1213 CB MET A 83 13.302 0.294 -3.119 1.00 0.00 C ATOM 1214 CG MET A 83 12.146 -0.084 -2.209 1.00 0.00 C ATOM 1215 SD MET A 83 12.308 -1.742 -1.523 1.00 0.00 S ATOM 1216 CE MET A 83 11.008 -1.717 -0.291 1.00 0.00 C ATOM 0 H MET A 83 12.164 -0.451 -5.225 1.00 0.00 H new ATOM 0 HA MET A 83 12.353 2.089 -3.824 1.00 0.00 H new ATOM 0 HB2 MET A 83 13.726 -0.612 -3.552 1.00 0.00 H new ATOM 0 HB3 MET A 83 14.087 0.761 -2.524 1.00 0.00 H new ATOM 0 HG2 MET A 83 12.081 0.636 -1.394 1.00 0.00 H new ATOM 0 HG3 MET A 83 11.213 -0.017 -2.768 1.00 0.00 H new ATOM 0 HE1 MET A 83 10.625 -2.727 -0.146 1.00 0.00 H new ATOM 0 HE2 MET A 83 11.407 -1.342 0.651 1.00 0.00 H new ATOM 0 HE3 MET A 83 10.200 -1.067 -0.628 1.00 0.00 H new ATOM 1226 N ASN A 84 14.107 3.082 -5.251 1.00 0.00 N ATOM 1227 CA ASN A 84 15.225 3.735 -5.925 1.00 0.00 C ATOM 1228 C ASN A 84 15.755 4.899 -5.094 1.00 0.00 C ATOM 1229 O ASN A 84 15.141 5.300 -4.106 1.00 0.00 O ATOM 1230 CB ASN A 84 14.798 4.236 -7.306 1.00 0.00 C ATOM 1231 CG ASN A 84 13.810 3.304 -7.980 1.00 0.00 C ATOM 1232 OD1 ASN A 84 12.612 3.346 -7.703 1.00 0.00 O ATOM 1233 ND2 ASN A 84 14.310 2.455 -8.871 1.00 0.00 N ATOM 0 H ASN A 84 13.324 3.700 -5.039 1.00 0.00 H new ATOM 0 HA ASN A 84 16.022 3.000 -6.044 1.00 0.00 H new ATOM 0 HB2 ASN A 84 14.351 5.225 -7.208 1.00 0.00 H new ATOM 0 HB3 ASN A 84 15.679 4.345 -7.938 1.00 0.00 H new ATOM 0 HD21 ASN A 84 13.693 1.803 -9.356 1.00 0.00 H new ATOM 0 HD22 ASN A 84 15.310 2.455 -9.070 1.00 0.00 H new ATOM 1240 N SER A 85 16.901 5.438 -5.509 1.00 0.00 N ATOM 1241 CA SER A 85 17.521 6.560 -4.812 1.00 0.00 C ATOM 1242 C SER A 85 17.772 6.227 -3.343 1.00 0.00 C ATOM 1243 O SER A 85 17.706 7.102 -2.480 1.00 0.00 O ATOM 1244 CB SER A 85 16.641 7.808 -4.920 1.00 0.00 C ATOM 1245 OG SER A 85 17.201 8.753 -5.815 1.00 0.00 O ATOM 0 H SER A 85 17.418 5.114 -6.326 1.00 0.00 H new ATOM 0 HA SER A 85 18.482 6.758 -5.288 1.00 0.00 H new ATOM 0 HB2 SER A 85 15.645 7.526 -5.261 1.00 0.00 H new ATOM 0 HB3 SER A 85 16.524 8.260 -3.935 1.00 0.00 H new ATOM 0 HG SER A 85 16.619 9.539 -5.867 1.00 0.00 H new ATOM 1251 N LEU A 86 18.064 4.958 -3.067 1.00 0.00 N ATOM 1252 CA LEU A 86 18.327 4.516 -1.703 1.00 0.00 C ATOM 1253 C LEU A 86 19.550 5.227 -1.134 1.00 0.00 C ATOM 1254 O LEU A 86 20.621 5.220 -1.739 1.00 0.00 O ATOM 1255 CB LEU A 86 18.537 3.000 -1.656 1.00 0.00 C ATOM 1256 CG LEU A 86 17.455 2.172 -2.348 1.00 0.00 C ATOM 1257 CD1 LEU A 86 17.868 1.838 -3.773 1.00 0.00 C ATOM 1258 CD2 LEU A 86 17.170 0.901 -1.561 1.00 0.00 C ATOM 0 H LEU A 86 18.124 4.221 -3.769 1.00 0.00 H new ATOM 0 HA LEU A 86 17.459 4.768 -1.094 1.00 0.00 H new ATOM 0 HB2 LEU A 86 19.498 2.768 -2.114 1.00 0.00 H new ATOM 0 HB3 LEU A 86 18.598 2.690 -0.613 1.00 0.00 H new ATOM 0 HG LEU A 86 16.541 2.764 -2.386 1.00 0.00 H new ATOM 0 HD11 LEU A 86 17.085 1.248 -4.250 1.00 0.00 H new ATOM 0 HD12 LEU A 86 18.020 2.760 -4.334 1.00 0.00 H new ATOM 0 HD13 LEU A 86 18.796 1.266 -3.758 1.00 0.00 H new ATOM 0 HD21 LEU A 86 16.397 0.324 -2.069 1.00 0.00 H new ATOM 0 HD22 LEU A 86 18.080 0.305 -1.490 1.00 0.00 H new ATOM 0 HD23 LEU A 86 16.829 1.162 -0.559 1.00 0.00 H new ATOM 1270 N LYS A 87 19.383 5.836 0.033 1.00 0.00 N ATOM 1271 CA LYS A 87 20.474 6.549 0.685 1.00 0.00 C ATOM 1272 C LYS A 87 20.829 5.887 2.012 1.00 0.00 C ATOM 1273 O LYS A 87 22.004 5.684 2.321 1.00 0.00 O ATOM 1274 CB LYS A 87 20.099 8.018 0.909 1.00 0.00 C ATOM 1275 CG LYS A 87 18.894 8.217 1.815 1.00 0.00 C ATOM 1276 CD LYS A 87 17.602 8.298 1.017 1.00 0.00 C ATOM 1277 CE LYS A 87 16.848 9.588 1.300 1.00 0.00 C ATOM 1278 NZ LYS A 87 16.721 9.853 2.760 1.00 0.00 N ATOM 0 H LYS A 87 18.502 5.851 0.548 1.00 0.00 H new ATOM 0 HA LYS A 87 21.346 6.509 0.032 1.00 0.00 H new ATOM 0 HB2 LYS A 87 20.954 8.539 1.339 1.00 0.00 H new ATOM 0 HB3 LYS A 87 19.896 8.482 -0.056 1.00 0.00 H new ATOM 0 HG2 LYS A 87 18.832 7.393 2.526 1.00 0.00 H new ATOM 0 HG3 LYS A 87 19.022 9.130 2.396 1.00 0.00 H new ATOM 0 HD2 LYS A 87 17.827 8.234 -0.048 1.00 0.00 H new ATOM 0 HD3 LYS A 87 16.969 7.445 1.261 1.00 0.00 H new ATOM 0 HE2 LYS A 87 17.365 10.421 0.824 1.00 0.00 H new ATOM 0 HE3 LYS A 87 15.855 9.532 0.854 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 15.732 10.082 2.987 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 17.012 9.009 3.293 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 17.330 10.654 3.022 1.00 0.00 H new ATOM 1292 N SER A 88 19.801 5.547 2.785 1.00 0.00 N ATOM 1293 CA SER A 88 19.979 4.903 4.081 1.00 0.00 C ATOM 1294 C SER A 88 18.630 4.683 4.752 1.00 0.00 C ATOM 1295 O SER A 88 18.428 3.699 5.464 1.00 0.00 O ATOM 1296 CB SER A 88 20.867 5.757 4.989 1.00 0.00 C ATOM 1297 OG SER A 88 21.514 4.962 5.968 1.00 0.00 O ATOM 0 H SER A 88 18.826 5.710 2.532 1.00 0.00 H new ATOM 0 HA SER A 88 20.461 3.939 3.917 1.00 0.00 H new ATOM 0 HB2 SER A 88 21.613 6.277 4.388 1.00 0.00 H new ATOM 0 HB3 SER A 88 20.263 6.521 5.478 1.00 0.00 H new ATOM 0 HG SER A 88 22.076 5.532 6.533 1.00 0.00 H new ATOM 1303 N GLU A 89 17.711 5.617 4.522 1.00 0.00 N ATOM 1304 CA GLU A 89 16.377 5.543 5.103 1.00 0.00 C ATOM 1305 C GLU A 89 15.610 4.339 4.561 1.00 0.00 C ATOM 1306 O GLU A 89 14.676 3.851 5.197 1.00 0.00 O ATOM 1307 CB GLU A 89 15.612 6.845 4.829 1.00 0.00 C ATOM 1308 CG GLU A 89 14.482 6.709 3.816 1.00 0.00 C ATOM 1309 CD GLU A 89 13.902 8.050 3.409 1.00 0.00 C ATOM 1310 OE1 GLU A 89 13.694 8.902 4.297 1.00 0.00 O ATOM 1311 OE2 GLU A 89 13.656 8.247 2.200 1.00 0.00 O ATOM 0 H GLU A 89 17.868 6.436 3.935 1.00 0.00 H new ATOM 0 HA GLU A 89 16.475 5.415 6.181 1.00 0.00 H new ATOM 0 HB2 GLU A 89 15.200 7.214 5.768 1.00 0.00 H new ATOM 0 HB3 GLU A 89 16.315 7.597 4.472 1.00 0.00 H new ATOM 0 HG2 GLU A 89 14.853 6.193 2.930 1.00 0.00 H new ATOM 0 HG3 GLU A 89 13.692 6.088 4.239 1.00 0.00 H new ATOM 1318 N ASP A 90 16.014 3.864 3.387 1.00 0.00 N ATOM 1319 CA ASP A 90 15.367 2.714 2.767 1.00 0.00 C ATOM 1320 C ASP A 90 15.474 1.493 3.676 1.00 0.00 C ATOM 1321 O ASP A 90 14.493 0.780 3.889 1.00 0.00 O ATOM 1322 CB ASP A 90 15.996 2.419 1.406 1.00 0.00 C ATOM 1323 CG ASP A 90 15.906 3.600 0.458 1.00 0.00 C ATOM 1324 OD1 ASP A 90 16.423 4.682 0.806 1.00 0.00 O ATOM 1325 OD2 ASP A 90 15.321 3.443 -0.634 1.00 0.00 O ATOM 0 H ASP A 90 16.785 4.257 2.847 1.00 0.00 H new ATOM 0 HA ASP A 90 14.313 2.947 2.619 1.00 0.00 H new ATOM 0 HB2 ASP A 90 17.042 2.147 1.544 1.00 0.00 H new ATOM 0 HB3 ASP A 90 15.499 1.559 0.958 1.00 0.00 H new ATOM 1330 N THR A 91 16.674 1.267 4.215 1.00 0.00 N ATOM 1331 CA THR A 91 16.924 0.142 5.116 1.00 0.00 C ATOM 1332 C THR A 91 15.831 0.037 6.178 1.00 0.00 C ATOM 1333 O THR A 91 15.853 0.758 7.178 1.00 0.00 O ATOM 1334 CB THR A 91 18.291 0.284 5.818 1.00 0.00 C ATOM 1335 OG1 THR A 91 19.350 0.015 4.894 1.00 0.00 O ATOM 1336 CG2 THR A 91 18.407 -0.658 7.010 1.00 0.00 C ATOM 0 H THR A 91 17.491 1.852 4.041 1.00 0.00 H new ATOM 0 HA THR A 91 16.925 -0.762 4.507 1.00 0.00 H new ATOM 0 HB THR A 91 18.370 1.309 6.181 1.00 0.00 H new ATOM 0 HG1 THR A 91 20.213 0.109 5.349 1.00 0.00 H new ATOM 0 HG21 THR A 91 19.382 -0.531 7.480 1.00 0.00 H new ATOM 0 HG22 THR A 91 17.623 -0.429 7.732 1.00 0.00 H new ATOM 0 HG23 THR A 91 18.299 -1.688 6.671 1.00 0.00 H new ATOM 1344 N ALA A 92 14.878 -0.863 5.951 1.00 0.00 N ATOM 1345 CA ALA A 92 13.774 -1.067 6.879 1.00 0.00 C ATOM 1346 C ALA A 92 12.822 -2.149 6.379 1.00 0.00 C ATOM 1347 O ALA A 92 12.956 -2.647 5.258 1.00 0.00 O ATOM 1348 CB ALA A 92 13.020 0.238 7.078 1.00 0.00 C ATOM 0 H ALA A 92 14.850 -1.464 5.128 1.00 0.00 H new ATOM 0 HA ALA A 92 14.188 -1.397 7.832 1.00 0.00 H new ATOM 0 HB1 ALA A 92 12.195 0.079 7.773 1.00 0.00 H new ATOM 0 HB2 ALA A 92 13.696 0.991 7.483 1.00 0.00 H new ATOM 0 HB3 ALA A 92 12.627 0.581 6.121 1.00 0.00 H new ATOM 1354 N VAL A 93 11.847 -2.495 7.213 1.00 0.00 N ATOM 1355 CA VAL A 93 10.850 -3.498 6.856 1.00 0.00 C ATOM 1356 C VAL A 93 9.640 -2.812 6.235 1.00 0.00 C ATOM 1357 O VAL A 93 9.249 -1.733 6.669 1.00 0.00 O ATOM 1358 CB VAL A 93 10.405 -4.316 8.084 1.00 0.00 C ATOM 1359 CG1 VAL A 93 9.497 -5.460 7.665 1.00 0.00 C ATOM 1360 CG2 VAL A 93 11.616 -4.838 8.841 1.00 0.00 C ATOM 0 H VAL A 93 11.726 -2.094 8.143 1.00 0.00 H new ATOM 0 HA VAL A 93 11.302 -4.184 6.140 1.00 0.00 H new ATOM 0 HB VAL A 93 9.841 -3.662 8.749 1.00 0.00 H new ATOM 0 HG11 VAL A 93 9.194 -6.025 8.546 1.00 0.00 H new ATOM 0 HG12 VAL A 93 8.613 -5.060 7.169 1.00 0.00 H new ATOM 0 HG13 VAL A 93 10.032 -6.117 6.979 1.00 0.00 H new ATOM 0 HG21 VAL A 93 11.285 -5.413 9.705 1.00 0.00 H new ATOM 0 HG22 VAL A 93 12.208 -5.477 8.185 1.00 0.00 H new ATOM 0 HG23 VAL A 93 12.225 -3.999 9.176 1.00 0.00 H new ATOM 1370 N TYR A 94 9.060 -3.412 5.201 1.00 0.00 N ATOM 1371 CA TYR A 94 7.919 -2.795 4.535 1.00 0.00 C ATOM 1372 C TYR A 94 6.642 -3.623 4.667 1.00 0.00 C ATOM 1373 O TYR A 94 6.652 -4.849 4.534 1.00 0.00 O ATOM 1374 CB TYR A 94 8.254 -2.527 3.067 1.00 0.00 C ATOM 1375 CG TYR A 94 9.308 -1.454 2.900 1.00 0.00 C ATOM 1376 CD1 TYR A 94 10.641 -1.711 3.199 1.00 0.00 C ATOM 1377 CD2 TYR A 94 8.970 -0.178 2.466 1.00 0.00 C ATOM 1378 CE1 TYR A 94 11.605 -0.731 3.069 1.00 0.00 C ATOM 1379 CE2 TYR A 94 9.931 0.808 2.331 1.00 0.00 C ATOM 1380 CZ TYR A 94 11.246 0.526 2.636 1.00 0.00 C ATOM 1381 OH TYR A 94 12.203 1.505 2.507 1.00 0.00 O ATOM 0 H TYR A 94 9.354 -4.308 4.812 1.00 0.00 H new ATOM 0 HA TYR A 94 7.720 -1.847 5.035 1.00 0.00 H new ATOM 0 HB2 TYR A 94 8.603 -3.450 2.603 1.00 0.00 H new ATOM 0 HB3 TYR A 94 7.348 -2.227 2.540 1.00 0.00 H new ATOM 0 HD1 TYR A 94 10.928 -2.695 3.539 1.00 0.00 H new ATOM 0 HD2 TYR A 94 7.940 0.048 2.230 1.00 0.00 H new ATOM 0 HE1 TYR A 94 12.636 -0.949 3.306 1.00 0.00 H new ATOM 0 HE2 TYR A 94 9.653 1.794 1.988 1.00 0.00 H new ATOM 0 HH TYR A 94 11.909 2.165 1.845 1.00 0.00 H new ATOM 1391 N TYR A 95 5.547 -2.916 4.950 1.00 0.00 N ATOM 1392 CA TYR A 95 4.230 -3.514 5.133 1.00 0.00 C ATOM 1393 C TYR A 95 3.265 -3.039 4.056 1.00 0.00 C ATOM 1394 O TYR A 95 3.559 -2.107 3.319 1.00 0.00 O ATOM 1395 CB TYR A 95 3.680 -3.135 6.508 1.00 0.00 C ATOM 1396 CG TYR A 95 4.637 -3.438 7.631 1.00 0.00 C ATOM 1397 CD1 TYR A 95 4.860 -4.741 8.057 1.00 0.00 C ATOM 1398 CD2 TYR A 95 5.324 -2.416 8.258 1.00 0.00 C ATOM 1399 CE1 TYR A 95 5.744 -5.012 9.083 1.00 0.00 C ATOM 1400 CE2 TYR A 95 6.207 -2.676 9.282 1.00 0.00 C ATOM 1401 CZ TYR A 95 6.415 -3.975 9.693 1.00 0.00 C ATOM 1402 OH TYR A 95 7.297 -4.235 10.716 1.00 0.00 O ATOM 0 H TYR A 95 5.553 -1.902 5.059 1.00 0.00 H new ATOM 0 HA TYR A 95 4.331 -4.597 5.059 1.00 0.00 H new ATOM 0 HB2 TYR A 95 3.443 -2.071 6.517 1.00 0.00 H new ATOM 0 HB3 TYR A 95 2.746 -3.671 6.680 1.00 0.00 H new ATOM 0 HD1 TYR A 95 4.334 -5.554 7.579 1.00 0.00 H new ATOM 0 HD2 TYR A 95 5.166 -1.396 7.940 1.00 0.00 H new ATOM 0 HE1 TYR A 95 5.908 -6.030 9.405 1.00 0.00 H new ATOM 0 HE2 TYR A 95 6.735 -1.865 9.761 1.00 0.00 H new ATOM 0 HH TYR A 95 7.686 -3.394 11.035 1.00 0.00 H new ATOM 1412 N CYS A 96 2.108 -3.679 3.978 1.00 0.00 N ATOM 1413 CA CYS A 96 1.091 -3.300 3.006 1.00 0.00 C ATOM 1414 C CYS A 96 -0.290 -3.435 3.630 1.00 0.00 C ATOM 1415 O CYS A 96 -0.533 -4.355 4.411 1.00 0.00 O ATOM 1416 CB CYS A 96 1.192 -4.151 1.738 1.00 0.00 C ATOM 1417 SG CYS A 96 1.445 -5.928 2.045 1.00 0.00 S ATOM 0 H CYS A 96 1.849 -4.464 4.576 1.00 0.00 H new ATOM 0 HA CYS A 96 1.256 -2.261 2.720 1.00 0.00 H new ATOM 0 HB2 CYS A 96 0.281 -4.021 1.154 1.00 0.00 H new ATOM 0 HB3 CYS A 96 2.016 -3.779 1.129 1.00 0.00 H new ATOM 1422 N ALA A 97 -1.187 -2.507 3.309 1.00 0.00 N ATOM 1423 CA ALA A 97 -2.531 -2.545 3.882 1.00 0.00 C ATOM 1424 C ALA A 97 -3.530 -1.689 3.113 1.00 0.00 C ATOM 1425 O ALA A 97 -3.158 -0.859 2.285 1.00 0.00 O ATOM 1426 CB ALA A 97 -2.486 -2.104 5.331 1.00 0.00 C ATOM 0 H ALA A 97 -1.014 -1.733 2.668 1.00 0.00 H new ATOM 0 HA ALA A 97 -2.876 -3.577 3.812 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -3.491 -2.135 5.752 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -1.836 -2.773 5.895 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -2.099 -1.087 5.390 1.00 0.00 H new ATOM 1432 N LYS A 98 -4.808 -1.905 3.416 1.00 0.00 N ATOM 1433 CA LYS A 98 -5.897 -1.170 2.783 1.00 0.00 C ATOM 1434 C LYS A 98 -6.142 0.159 3.496 1.00 0.00 C ATOM 1435 O LYS A 98 -5.952 0.269 4.707 1.00 0.00 O ATOM 1436 CB LYS A 98 -7.174 -2.018 2.808 1.00 0.00 C ATOM 1437 CG LYS A 98 -8.428 -1.265 2.388 1.00 0.00 C ATOM 1438 CD LYS A 98 -9.661 -1.790 3.107 1.00 0.00 C ATOM 1439 CE LYS A 98 -10.702 -0.699 3.291 1.00 0.00 C ATOM 1440 NZ LYS A 98 -12.057 -1.141 2.857 1.00 0.00 N ATOM 0 H LYS A 98 -5.116 -2.592 4.105 1.00 0.00 H new ATOM 0 HA LYS A 98 -5.619 -0.959 1.750 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -7.041 -2.876 2.149 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -7.318 -2.409 3.815 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -8.305 -0.203 2.602 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -8.566 -1.359 1.311 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -10.092 -2.614 2.539 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -9.374 -2.189 4.080 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -10.736 -0.403 4.340 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -10.408 0.182 2.721 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -12.662 -0.309 2.708 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -11.980 -1.677 1.969 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -12.476 -1.747 3.591 1.00 0.00 H new ATOM 1454 N TYR A 99 -6.570 1.163 2.736 1.00 0.00 N ATOM 1455 CA TYR A 99 -6.849 2.485 3.291 1.00 0.00 C ATOM 1456 C TYR A 99 -8.290 2.567 3.787 1.00 0.00 C ATOM 1457 O TYR A 99 -9.216 2.142 3.095 1.00 0.00 O ATOM 1458 CB TYR A 99 -6.602 3.567 2.237 1.00 0.00 C ATOM 1459 CG TYR A 99 -5.667 4.666 2.690 1.00 0.00 C ATOM 1460 CD1 TYR A 99 -4.318 4.414 2.912 1.00 0.00 C ATOM 1461 CD2 TYR A 99 -6.132 5.960 2.890 1.00 0.00 C ATOM 1462 CE1 TYR A 99 -3.462 5.417 3.322 1.00 0.00 C ATOM 1463 CE2 TYR A 99 -5.282 6.969 3.301 1.00 0.00 C ATOM 1464 CZ TYR A 99 -3.949 6.692 3.516 1.00 0.00 C ATOM 1465 OH TYR A 99 -3.099 7.695 3.924 1.00 0.00 O ATOM 0 H TYR A 99 -6.732 1.086 1.732 1.00 0.00 H new ATOM 0 HA TYR A 99 -6.178 2.649 4.134 1.00 0.00 H new ATOM 0 HB2 TYR A 99 -6.191 3.100 1.342 1.00 0.00 H new ATOM 0 HB3 TYR A 99 -7.557 4.010 1.955 1.00 0.00 H new ATOM 0 HD1 TYR A 99 -3.933 3.416 2.761 1.00 0.00 H new ATOM 0 HD2 TYR A 99 -7.176 6.181 2.721 1.00 0.00 H new ATOM 0 HE1 TYR A 99 -2.417 5.204 3.490 1.00 0.00 H new ATOM 0 HE2 TYR A 99 -5.660 7.969 3.453 1.00 0.00 H new ATOM 0 HH TYR A 99 -3.600 8.533 4.013 1.00 0.00 H new ATOM 1475 N SER A 100 -8.474 3.116 4.985 1.00 0.00 N ATOM 1476 CA SER A 100 -9.806 3.252 5.566 1.00 0.00 C ATOM 1477 C SER A 100 -9.766 4.104 6.833 1.00 0.00 C ATOM 1478 O SER A 100 -8.886 3.938 7.676 1.00 0.00 O ATOM 1479 CB SER A 100 -10.391 1.874 5.885 1.00 0.00 C ATOM 1480 OG SER A 100 -11.602 1.660 5.182 1.00 0.00 O ATOM 0 H SER A 100 -7.719 3.473 5.571 1.00 0.00 H new ATOM 0 HA SER A 100 -10.442 3.750 4.834 1.00 0.00 H new ATOM 0 HB2 SER A 100 -9.671 1.100 5.620 1.00 0.00 H new ATOM 0 HB3 SER A 100 -10.569 1.790 6.957 1.00 0.00 H new ATOM 0 HG SER A 100 -12.113 0.947 5.619 1.00 0.00 H new ATOM 1486 N GLY A 101 -10.728 5.014 6.957 1.00 0.00 N ATOM 1487 CA GLY A 101 -10.788 5.877 8.123 1.00 0.00 C ATOM 1488 C GLY A 101 -9.817 7.038 8.039 1.00 0.00 C ATOM 1489 O GLY A 101 -9.837 7.935 8.884 1.00 0.00 O ATOM 0 H GLY A 101 -11.467 5.169 6.271 1.00 0.00 H new ATOM 0 HA2 GLY A 101 -11.801 6.263 8.233 1.00 0.00 H new ATOM 0 HA3 GLY A 101 -10.571 5.291 9.016 1.00 0.00 H new ATOM 1493 N GLY A 102 -8.963 7.024 7.020 1.00 0.00 N ATOM 1494 CA GLY A 102 -7.992 8.088 6.849 1.00 0.00 C ATOM 1495 C GLY A 102 -6.637 7.733 7.431 1.00 0.00 C ATOM 1496 O GLY A 102 -5.682 8.502 7.313 1.00 0.00 O ATOM 0 H GLY A 102 -8.927 6.293 6.309 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -7.882 8.309 5.787 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -8.363 8.995 7.326 1.00 0.00 H new ATOM 1500 N ALA A 103 -6.555 6.566 8.059 1.00 0.00 N ATOM 1501 CA ALA A 103 -5.309 6.106 8.661 1.00 0.00 C ATOM 1502 C ALA A 103 -5.019 4.659 8.275 1.00 0.00 C ATOM 1503 O ALA A 103 -5.873 3.784 8.421 1.00 0.00 O ATOM 1504 CB ALA A 103 -5.367 6.251 10.174 1.00 0.00 C ATOM 0 H ALA A 103 -7.337 5.920 8.165 1.00 0.00 H new ATOM 0 HA ALA A 103 -4.498 6.727 8.281 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -4.430 5.904 10.609 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -5.521 7.298 10.433 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -6.192 5.655 10.565 1.00 0.00 H new ATOM 1510 N LEU A 104 -3.810 4.414 7.780 1.00 0.00 N ATOM 1511 CA LEU A 104 -3.409 3.073 7.370 1.00 0.00 C ATOM 1512 C LEU A 104 -3.325 2.140 8.574 1.00 0.00 C ATOM 1513 O LEU A 104 -3.020 2.569 9.687 1.00 0.00 O ATOM 1514 CB LEU A 104 -2.059 3.121 6.641 1.00 0.00 C ATOM 1515 CG LEU A 104 -1.950 2.303 5.341 1.00 0.00 C ATOM 1516 CD1 LEU A 104 -1.137 1.047 5.562 1.00 0.00 C ATOM 1517 CD2 LEU A 104 -3.313 1.931 4.789 1.00 0.00 C ATOM 0 H LEU A 104 -3.091 5.126 7.653 1.00 0.00 H new ATOM 0 HA LEU A 104 -4.165 2.684 6.688 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -1.834 4.162 6.409 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -1.288 2.773 7.328 1.00 0.00 H new ATOM 0 HG LEU A 104 -1.447 2.937 4.611 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -1.074 0.486 4.630 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -0.134 1.316 5.892 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -1.617 0.432 6.324 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -3.189 1.355 3.872 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -3.852 1.333 5.524 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -3.878 2.838 4.574 1.00 0.00 H new ATOM 1529 N ASP A 105 -3.601 0.863 8.338 1.00 0.00 N ATOM 1530 CA ASP A 105 -3.564 -0.141 9.396 1.00 0.00 C ATOM 1531 C ASP A 105 -2.255 -0.919 9.358 1.00 0.00 C ATOM 1532 O ASP A 105 -1.711 -1.295 10.397 1.00 0.00 O ATOM 1533 CB ASP A 105 -4.745 -1.102 9.250 1.00 0.00 C ATOM 1534 CG ASP A 105 -5.784 -0.908 10.336 1.00 0.00 C ATOM 1535 OD1 ASP A 105 -6.406 0.175 10.378 1.00 0.00 O ATOM 1536 OD2 ASP A 105 -5.977 -1.839 11.147 1.00 0.00 O ATOM 0 H ASP A 105 -3.854 0.497 7.420 1.00 0.00 H new ATOM 0 HA ASP A 105 -3.634 0.371 10.356 1.00 0.00 H new ATOM 0 HB2 ASP A 105 -5.210 -0.956 8.275 1.00 0.00 H new ATOM 0 HB3 ASP A 105 -4.380 -2.129 9.279 1.00 0.00 H new ATOM 1541 N ALA A 106 -1.761 -1.154 8.145 1.00 0.00 N ATOM 1542 CA ALA A 106 -0.514 -1.885 7.934 1.00 0.00 C ATOM 1543 C ALA A 106 -0.632 -3.338 8.371 1.00 0.00 C ATOM 1544 O ALA A 106 -0.822 -3.635 9.550 1.00 0.00 O ATOM 1545 CB ALA A 106 0.633 -1.213 8.658 1.00 0.00 C ATOM 0 H ALA A 106 -2.212 -0.845 7.284 1.00 0.00 H new ATOM 0 HA ALA A 106 -0.310 -1.873 6.863 1.00 0.00 H new ATOM 0 HB1 ALA A 106 1.551 -1.775 8.486 1.00 0.00 H new ATOM 0 HB2 ALA A 106 0.754 -0.197 8.283 1.00 0.00 H new ATOM 0 HB3 ALA A 106 0.421 -1.183 9.727 1.00 0.00 H new ATOM 1551 N TRP A 107 -0.506 -4.238 7.405 1.00 0.00 N ATOM 1552 CA TRP A 107 -0.585 -5.666 7.669 1.00 0.00 C ATOM 1553 C TRP A 107 0.674 -6.363 7.157 1.00 0.00 C ATOM 1554 O TRP A 107 1.791 -5.930 7.443 1.00 0.00 O ATOM 1555 CB TRP A 107 -1.839 -6.256 7.013 1.00 0.00 C ATOM 1556 CG TRP A 107 -3.105 -5.544 7.389 1.00 0.00 C ATOM 1557 CD1 TRP A 107 -3.429 -5.035 8.613 1.00 0.00 C ATOM 1558 CD2 TRP A 107 -4.218 -5.268 6.535 1.00 0.00 C ATOM 1559 NE1 TRP A 107 -4.672 -4.454 8.569 1.00 0.00 N ATOM 1560 CE2 TRP A 107 -5.178 -4.585 7.304 1.00 0.00 C ATOM 1561 CE3 TRP A 107 -4.492 -5.530 5.192 1.00 0.00 C ATOM 1562 CZ2 TRP A 107 -6.395 -4.162 6.771 1.00 0.00 C ATOM 1563 CZ3 TRP A 107 -5.699 -5.111 4.664 1.00 0.00 C ATOM 1564 CH2 TRP A 107 -6.637 -4.433 5.452 1.00 0.00 C ATOM 0 H TRP A 107 -0.348 -4.001 6.426 1.00 0.00 H new ATOM 0 HA TRP A 107 -0.654 -5.826 8.745 1.00 0.00 H new ATOM 0 HB2 TRP A 107 -1.722 -6.224 5.930 1.00 0.00 H new ATOM 0 HB3 TRP A 107 -1.926 -7.306 7.293 1.00 0.00 H new ATOM 0 HD1 TRP A 107 -2.799 -5.082 9.489 1.00 0.00 H new ATOM 0 HE1 TRP A 107 -5.142 -3.999 9.352 1.00 0.00 H new ATOM 0 HE3 TRP A 107 -3.774 -6.051 4.576 1.00 0.00 H new ATOM 0 HZ2 TRP A 107 -7.120 -3.639 7.377 1.00 0.00 H new ATOM 0 HZ3 TRP A 107 -5.922 -5.310 3.626 1.00 0.00 H new ATOM 0 HH2 TRP A 107 -7.570 -4.118 5.010 1.00 0.00 H new ATOM 1575 N GLY A 108 0.490 -7.433 6.397 1.00 0.00 N ATOM 1576 CA GLY A 108 1.619 -8.163 5.852 1.00 0.00 C ATOM 1577 C GLY A 108 2.420 -8.884 6.918 1.00 0.00 C ATOM 1578 O GLY A 108 2.138 -8.760 8.109 1.00 0.00 O ATOM 0 H GLY A 108 -0.424 -7.811 6.147 1.00 0.00 H new ATOM 0 HA2 GLY A 108 1.259 -8.888 5.122 1.00 0.00 H new ATOM 0 HA3 GLY A 108 2.271 -7.471 5.320 1.00 0.00 H new ATOM 1582 N GLN A 109 3.427 -9.636 6.484 1.00 0.00 N ATOM 1583 CA GLN A 109 4.280 -10.379 7.404 1.00 0.00 C ATOM 1584 C GLN A 109 5.543 -9.589 7.720 1.00 0.00 C ATOM 1585 O GLN A 109 6.227 -9.859 8.709 1.00 0.00 O ATOM 1586 CB GLN A 109 4.652 -11.736 6.802 1.00 0.00 C ATOM 1587 CG GLN A 109 3.663 -12.841 7.130 1.00 0.00 C ATOM 1588 CD GLN A 109 4.255 -14.225 6.947 1.00 0.00 C ATOM 1589 OE1 GLN A 109 4.054 -14.803 5.769 1.00 0.00 O flip ATOM 1590 NE2 GLN A 109 4.887 -14.768 7.853 1.00 0.00 N flip ATOM 0 H GLN A 109 3.672 -9.747 5.500 1.00 0.00 H new ATOM 0 HA GLN A 109 3.728 -10.540 8.330 1.00 0.00 H new ATOM 0 HB2 GLN A 109 4.725 -11.635 5.719 1.00 0.00 H new ATOM 0 HB3 GLN A 109 5.639 -12.025 7.163 1.00 0.00 H new ATOM 0 HG2 GLN A 109 3.325 -12.727 8.160 1.00 0.00 H new ATOM 0 HG3 GLN A 109 2.784 -12.738 6.493 1.00 0.00 H new ATOM 0 HE21 GLN A 109 5.018 -14.287 8.743 1.00 0.00 H new ATOM 0 HE22 GLN A 109 5.280 -15.699 7.714 1.00 0.00 H new ATOM 1599 N GLY A 110 5.848 -8.612 6.871 1.00 0.00 N ATOM 1600 CA GLY A 110 7.029 -7.794 7.070 1.00 0.00 C ATOM 1601 C GLY A 110 8.185 -8.227 6.192 1.00 0.00 C ATOM 1602 O GLY A 110 8.813 -9.257 6.443 1.00 0.00 O ATOM 0 H GLY A 110 5.296 -8.373 6.047 1.00 0.00 H new ATOM 0 HA2 GLY A 110 6.786 -6.753 6.859 1.00 0.00 H new ATOM 0 HA3 GLY A 110 7.331 -7.845 8.116 1.00 0.00 H new ATOM 1606 N THR A 111 8.471 -7.439 5.159 1.00 0.00 N ATOM 1607 CA THR A 111 9.561 -7.749 4.243 1.00 0.00 C ATOM 1608 C THR A 111 10.848 -7.041 4.663 1.00 0.00 C ATOM 1609 O THR A 111 10.843 -5.846 4.957 1.00 0.00 O ATOM 1610 CB THR A 111 9.206 -7.359 2.797 1.00 0.00 C ATOM 1611 OG1 THR A 111 10.252 -7.767 1.912 1.00 0.00 O ATOM 1612 CG2 THR A 111 8.986 -5.859 2.668 1.00 0.00 C ATOM 0 H THR A 111 7.963 -6.583 4.937 1.00 0.00 H new ATOM 0 HA THR A 111 9.719 -8.827 4.285 1.00 0.00 H new ATOM 0 HB THR A 111 8.279 -7.866 2.530 1.00 0.00 H new ATOM 0 HG1 THR A 111 10.840 -8.403 2.371 1.00 0.00 H new ATOM 0 HG21 THR A 111 8.737 -5.615 1.635 1.00 0.00 H new ATOM 0 HG22 THR A 111 8.168 -5.554 3.320 1.00 0.00 H new ATOM 0 HG23 THR A 111 9.896 -5.332 2.956 1.00 0.00 H new ATOM 1620 N GLN A 112 11.949 -7.788 4.698 1.00 0.00 N ATOM 1621 CA GLN A 112 13.239 -7.230 5.093 1.00 0.00 C ATOM 1622 C GLN A 112 13.945 -6.569 3.917 1.00 0.00 C ATOM 1623 O GLN A 112 14.507 -7.247 3.057 1.00 0.00 O ATOM 1624 CB GLN A 112 14.138 -8.320 5.677 1.00 0.00 C ATOM 1625 CG GLN A 112 14.254 -8.269 7.192 1.00 0.00 C ATOM 1626 CD GLN A 112 15.250 -7.228 7.667 1.00 0.00 C ATOM 1627 OE1 GLN A 112 14.918 -5.957 7.473 1.00 0.00 O flip ATOM 1628 NE2 GLN A 112 16.307 -7.563 8.204 1.00 0.00 N flip ATOM 0 H GLN A 112 11.973 -8.779 4.458 1.00 0.00 H new ATOM 0 HA GLN A 112 13.046 -6.471 5.852 1.00 0.00 H new ATOM 0 HB2 GLN A 112 13.749 -9.295 5.384 1.00 0.00 H new ATOM 0 HB3 GLN A 112 15.133 -8.230 5.242 1.00 0.00 H new ATOM 0 HG2 GLN A 112 13.275 -8.052 7.620 1.00 0.00 H new ATOM 0 HG3 GLN A 112 14.554 -9.249 7.563 1.00 0.00 H new ATOM 0 HE21 GLN A 112 16.522 -8.552 8.333 1.00 0.00 H new ATOM 0 HE22 GLN A 112 16.967 -6.852 8.519 1.00 0.00 H new ATOM 1637 N VAL A 113 13.927 -5.241 3.892 1.00 0.00 N ATOM 1638 CA VAL A 113 14.578 -4.488 2.830 1.00 0.00 C ATOM 1639 C VAL A 113 15.747 -3.685 3.387 1.00 0.00 C ATOM 1640 O VAL A 113 15.556 -2.807 4.221 1.00 0.00 O ATOM 1641 CB VAL A 113 13.588 -3.531 2.141 1.00 0.00 C ATOM 1642 CG1 VAL A 113 14.306 -2.649 1.132 1.00 0.00 C ATOM 1643 CG2 VAL A 113 12.467 -4.316 1.476 1.00 0.00 C ATOM 0 H VAL A 113 13.468 -4.664 4.597 1.00 0.00 H new ATOM 0 HA VAL A 113 14.945 -5.204 2.095 1.00 0.00 H new ATOM 0 HB VAL A 113 13.148 -2.884 2.900 1.00 0.00 H new ATOM 0 HG11 VAL A 113 13.588 -1.981 0.657 1.00 0.00 H new ATOM 0 HG12 VAL A 113 15.068 -2.060 1.641 1.00 0.00 H new ATOM 0 HG13 VAL A 113 14.777 -3.274 0.373 1.00 0.00 H new ATOM 0 HG21 VAL A 113 11.776 -3.625 0.993 1.00 0.00 H new ATOM 0 HG22 VAL A 113 12.888 -4.989 0.729 1.00 0.00 H new ATOM 0 HG23 VAL A 113 11.933 -4.897 2.228 1.00 0.00 H new ATOM 1653 N THR A 114 16.959 -3.993 2.938 1.00 0.00 N ATOM 1654 CA THR A 114 18.138 -3.281 3.428 1.00 0.00 C ATOM 1655 C THR A 114 19.018 -2.771 2.293 1.00 0.00 C ATOM 1656 O THR A 114 19.159 -3.422 1.256 1.00 0.00 O ATOM 1657 CB THR A 114 18.989 -4.171 4.349 1.00 0.00 C ATOM 1658 OG1 THR A 114 18.144 -5.011 5.145 1.00 0.00 O ATOM 1659 CG2 THR A 114 19.872 -3.325 5.256 1.00 0.00 C ATOM 0 H THR A 114 17.152 -4.718 2.247 1.00 0.00 H new ATOM 0 HA THR A 114 17.759 -2.427 3.990 1.00 0.00 H new ATOM 0 HB THR A 114 19.628 -4.793 3.722 1.00 0.00 H new ATOM 0 HG1 THR A 114 18.697 -5.574 5.726 1.00 0.00 H new ATOM 0 HG21 THR A 114 20.464 -3.977 5.898 1.00 0.00 H new ATOM 0 HG22 THR A 114 20.538 -2.713 4.648 1.00 0.00 H new ATOM 0 HG23 THR A 114 19.247 -2.679 5.873 1.00 0.00 H new ATOM 1667 N VAL A 115 19.623 -1.607 2.512 1.00 0.00 N ATOM 1668 CA VAL A 115 20.512 -1.002 1.529 1.00 0.00 C ATOM 1669 C VAL A 115 21.905 -0.809 2.117 1.00 0.00 C ATOM 1670 O VAL A 115 22.136 0.092 2.925 1.00 0.00 O ATOM 1671 CB VAL A 115 19.971 0.352 1.020 1.00 0.00 C ATOM 1672 CG1 VAL A 115 19.475 1.212 2.169 1.00 0.00 C ATOM 1673 CG2 VAL A 115 21.026 1.093 0.211 1.00 0.00 C ATOM 0 H VAL A 115 19.512 -1.062 3.367 1.00 0.00 H new ATOM 0 HA VAL A 115 20.566 -1.684 0.681 1.00 0.00 H new ATOM 0 HB VAL A 115 19.125 0.144 0.365 1.00 0.00 H new ATOM 0 HG11 VAL A 115 19.100 2.159 1.780 1.00 0.00 H new ATOM 0 HG12 VAL A 115 18.673 0.692 2.693 1.00 0.00 H new ATOM 0 HG13 VAL A 115 20.295 1.404 2.861 1.00 0.00 H new ATOM 0 HG21 VAL A 115 20.618 2.043 -0.135 1.00 0.00 H new ATOM 0 HG22 VAL A 115 21.899 1.279 0.836 1.00 0.00 H new ATOM 0 HG23 VAL A 115 21.317 0.488 -0.648 1.00 0.00 H new ATOM 1683 N SER A 116 22.825 -1.672 1.710 1.00 0.00 N ATOM 1684 CA SER A 116 24.200 -1.618 2.197 1.00 0.00 C ATOM 1685 C SER A 116 25.183 -1.394 1.045 1.00 0.00 C ATOM 1686 O SER A 116 25.142 -0.358 0.382 1.00 0.00 O ATOM 1687 CB SER A 116 24.538 -2.905 2.952 1.00 0.00 C ATOM 1688 OG SER A 116 25.418 -2.648 4.032 1.00 0.00 O ATOM 0 H SER A 116 22.645 -2.421 1.041 1.00 0.00 H new ATOM 0 HA SER A 116 24.291 -0.774 2.881 1.00 0.00 H new ATOM 0 HB2 SER A 116 23.622 -3.362 3.326 1.00 0.00 H new ATOM 0 HB3 SER A 116 24.995 -3.621 2.269 1.00 0.00 H new ATOM 0 HG SER A 116 25.617 -3.486 4.499 1.00 0.00 H new