USER MOD reduce.3.24.130724 H: found=0, std=0, add=937, rem=0, adj=42 USER MOD reduce.3.24.130724 removed 935 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 75 GLN :FLIP amide:sc= 0 F(o=-0.2,f=0.79) USER MOD Set 1.2: A 91 SER OG : rot -15:sc= 0.794 USER MOD Set 2.1: A 83 SER OG : rot 27:sc= 0.0456 USER MOD Set 2.2: A 86 SER OG : rot -14:sc= 0.758 USER MOD Set 3.1: A 79 LYS NZ :NH3+ -170:sc= -0.713 (180deg=-1.09) USER MOD Set 3.2: A 80 THR OG1 : rot 180:sc= 0 USER MOD Set 4.1: A 28 THR OG1 : rot 180:sc= -0.0296 USER MOD Set 4.2: A 47 THR OG1 : rot -78:sc= 0.00121 USER MOD Single : A 1 ASN :FLIP amide:sc= -9.75! C(o=-11!,f=-9.8!) USER MOD Single : A 1 ASN N :NH3+ 134:sc= 0.0309 (180deg=0) USER MOD Single : A 7 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 14 MET CE :methyl -115:sc= -1.99 (180deg=-5.11!) USER MOD Single : A 17 THR OG1 : rot 43:sc= 0.0318 USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ 165:sc= -0.0191 (180deg=-0.243) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.026) USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 SER OG : rot 46:sc= 0.446 USER MOD Single : A 41 HIS :FLIP no HE2:sc= -0.532 F(o=-1.2!,f=-0.53) USER MOD Single : A 42 SER OG : rot -24:sc= 0.177 USER MOD Single : A 43 THR OG1 : rot 180:sc= -0.825 USER MOD Single : A 44 GLN : amide:sc= 0.421 K(o=0.42,f=-0.39) USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 ASN :FLIP amide:sc= -8.93! C(o=-12!,f=-8.9!) USER MOD Single : A 50 SER OG : rot -62:sc= 0.129 USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 ASN :FLIP amide:sc=-0.00765 F(o=-1.3!,f=-0.0076) USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 TYR OH : rot 30:sc= 0.188 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 HIS : no HD1:sc= 0.0241 K(o=0.024,f=-0.87) USER MOD Single : A 73 ASN :FLIP amide:sc= -0.046 F(o=-1.3!,f=-0.046) USER MOD Single : A 87 GLN : amide:sc= -8.61! C(o=-8.6!,f=-15!) USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 101 SER OG : rot -83:sc= 1.26 USER MOD Single : A 102 THR OG1 : rot 180:sc= 0 USER MOD Single : A 103 THR OG1 : rot 180:sc= 0 USER MOD Single : A 104 SER OG : rot 143:sc= 0.123! USER MOD Single : A 109 GLN : amide:sc= 0 X(o=0,f=-0.24) USER MOD Single : A 116 SER OG : rot 180:sc= 0 USER MOD Single : A 117 HIS : no HD1:sc= 0 X(o=0,f=-0.084) USER MOD Single : A 121 GLN :FLIP amide:sc= 0 F(o=-0.85,f=0) USER MOD ----------------------------------------------------------------- ATOM 20 N ASN A 1 31.168 -1.420 -3.376 1.00 0.00 N ATOM 21 CA ASN A 1 29.934 -0.648 -3.438 1.00 0.00 C ATOM 22 C ASN A 1 28.809 -1.455 -4.072 1.00 0.00 C ATOM 23 O ASN A 1 29.043 -2.278 -4.958 1.00 0.00 O ATOM 24 CB ASN A 1 30.154 0.649 -4.213 1.00 0.00 C ATOM 25 CG ASN A 1 30.508 1.803 -3.300 1.00 0.00 C ATOM 26 OD1 ASN A 1 29.837 1.870 -2.155 1.00 0.00 O flip ATOM 27 ND2 ASN A 1 31.365 2.626 -3.619 1.00 0.00 N flip ATOM 0 H1 ASN A 1 31.961 -0.833 -3.704 1.00 0.00 H new ATOM 0 H2 ASN A 1 31.341 -1.719 -2.395 1.00 0.00 H new ATOM 0 H3 ASN A 1 31.083 -2.259 -3.984 1.00 0.00 H new ATOM 0 HA ASN A 1 29.642 -0.404 -2.417 1.00 0.00 H new ATOM 0 HB2 ASN A 1 30.952 0.505 -4.941 1.00 0.00 H new ATOM 0 HB3 ASN A 1 29.252 0.894 -4.773 1.00 0.00 H new ATOM 0 HD21 ASN A 1 31.855 2.534 -4.509 1.00 0.00 H new ATOM 0 HD22 ASN A 1 31.586 3.401 -2.993 1.00 0.00 H new ATOM 34 N CYS A 2 27.588 -1.212 -3.610 1.00 0.00 N ATOM 35 CA CYS A 2 26.425 -1.923 -4.119 1.00 0.00 C ATOM 36 C CYS A 2 25.801 -1.220 -5.320 1.00 0.00 C ATOM 37 O CYS A 2 24.849 -1.728 -5.911 1.00 0.00 O ATOM 38 CB CYS A 2 25.392 -2.089 -3.009 1.00 0.00 C ATOM 39 SG CYS A 2 25.892 -3.281 -1.728 1.00 0.00 S ATOM 0 H CYS A 2 27.379 -0.527 -2.883 1.00 0.00 H new ATOM 0 HA CYS A 2 26.760 -2.904 -4.457 1.00 0.00 H new ATOM 0 HB2 CYS A 2 25.212 -1.120 -2.543 1.00 0.00 H new ATOM 0 HB3 CYS A 2 24.448 -2.413 -3.447 1.00 0.00 H new ATOM 44 N GLY A 3 26.328 -0.055 -5.682 1.00 0.00 N ATOM 45 CA GLY A 3 25.795 0.686 -6.807 1.00 0.00 C ATOM 46 C GLY A 3 24.682 1.630 -6.387 1.00 0.00 C ATOM 47 O GLY A 3 23.984 1.361 -5.410 1.00 0.00 O ATOM 0 H GLY A 3 27.118 0.389 -5.213 1.00 0.00 H new ATOM 0 HA2 GLY A 3 26.596 1.256 -7.279 1.00 0.00 H new ATOM 0 HA3 GLY A 3 25.417 -0.011 -7.555 1.00 0.00 H new ATOM 51 N PRO A 4 24.496 2.752 -7.106 1.00 0.00 N ATOM 52 CA PRO A 4 23.451 3.732 -6.787 1.00 0.00 C ATOM 53 C PRO A 4 22.102 3.076 -6.504 1.00 0.00 C ATOM 54 O PRO A 4 21.620 2.266 -7.298 1.00 0.00 O ATOM 55 CB PRO A 4 23.386 4.585 -8.053 1.00 0.00 C ATOM 56 CG PRO A 4 24.772 4.536 -8.595 1.00 0.00 C ATOM 57 CD PRO A 4 25.288 3.155 -8.284 1.00 0.00 C ATOM 0 HA PRO A 4 23.676 4.298 -5.883 1.00 0.00 H new ATOM 0 HB2 PRO A 4 22.665 4.186 -8.766 1.00 0.00 H new ATOM 0 HB3 PRO A 4 23.081 5.607 -7.830 1.00 0.00 H new ATOM 0 HG2 PRO A 4 24.778 4.723 -9.669 1.00 0.00 H new ATOM 0 HG3 PRO A 4 25.399 5.300 -8.135 1.00 0.00 H new ATOM 0 HD2 PRO A 4 25.139 2.473 -9.121 1.00 0.00 H new ATOM 0 HD3 PRO A 4 26.356 3.165 -8.066 1.00 0.00 H new ATOM 65 N PRO A 5 21.475 3.417 -5.362 1.00 0.00 N ATOM 66 CA PRO A 5 20.180 2.853 -4.971 1.00 0.00 C ATOM 67 C PRO A 5 19.139 2.936 -6.084 1.00 0.00 C ATOM 68 O PRO A 5 19.038 3.947 -6.779 1.00 0.00 O ATOM 69 CB PRO A 5 19.756 3.721 -3.785 1.00 0.00 C ATOM 70 CG PRO A 5 21.035 4.212 -3.204 1.00 0.00 C ATOM 71 CD PRO A 5 21.977 4.382 -4.363 1.00 0.00 C ATOM 0 HA PRO A 5 20.260 1.791 -4.738 1.00 0.00 H new ATOM 0 HB2 PRO A 5 19.123 4.548 -4.105 1.00 0.00 H new ATOM 0 HB3 PRO A 5 19.185 3.146 -3.057 1.00 0.00 H new ATOM 0 HG2 PRO A 5 20.888 5.156 -2.679 1.00 0.00 H new ATOM 0 HG3 PRO A 5 21.432 3.502 -2.479 1.00 0.00 H new ATOM 0 HD2 PRO A 5 21.960 5.402 -4.747 1.00 0.00 H new ATOM 0 HD3 PRO A 5 23.007 4.165 -4.078 1.00 0.00 H new ATOM 79 N PRO A 6 18.349 1.864 -6.264 1.00 0.00 N ATOM 80 CA PRO A 6 17.300 1.810 -7.281 1.00 0.00 C ATOM 81 C PRO A 6 16.084 2.611 -6.846 1.00 0.00 C ATOM 82 O PRO A 6 16.077 3.260 -5.800 1.00 0.00 O ATOM 83 CB PRO A 6 16.939 0.316 -7.363 1.00 0.00 C ATOM 84 CG PRO A 6 17.884 -0.399 -6.449 1.00 0.00 C ATOM 85 CD PRO A 6 18.407 0.623 -5.485 1.00 0.00 C ATOM 0 HA PRO A 6 17.626 2.227 -8.234 1.00 0.00 H new ATOM 0 HB2 PRO A 6 15.905 0.149 -7.060 1.00 0.00 H new ATOM 0 HB3 PRO A 6 17.035 -0.051 -8.385 1.00 0.00 H new ATOM 0 HG2 PRO A 6 17.375 -1.205 -5.920 1.00 0.00 H new ATOM 0 HG3 PRO A 6 18.699 -0.852 -7.013 1.00 0.00 H new ATOM 0 HD2 PRO A 6 17.794 0.681 -4.585 1.00 0.00 H new ATOM 0 HD3 PRO A 6 19.423 0.394 -5.164 1.00 0.00 H new ATOM 93 N THR A 7 15.054 2.544 -7.684 1.00 0.00 N ATOM 94 CA THR A 7 13.796 3.222 -7.425 1.00 0.00 C ATOM 95 C THR A 7 12.815 2.226 -6.828 1.00 0.00 C ATOM 96 O THR A 7 12.627 1.136 -7.370 1.00 0.00 O ATOM 97 CB THR A 7 13.198 3.830 -8.709 1.00 0.00 C ATOM 98 OG1 THR A 7 14.139 4.728 -9.308 1.00 0.00 O ATOM 99 CG2 THR A 7 11.906 4.573 -8.405 1.00 0.00 C ATOM 0 H THR A 7 15.071 2.019 -8.558 1.00 0.00 H new ATOM 0 HA THR A 7 13.984 4.040 -6.730 1.00 0.00 H new ATOM 0 HB THR A 7 12.978 3.018 -9.401 1.00 0.00 H new ATOM 0 HG1 THR A 7 13.753 5.109 -10.124 1.00 0.00 H new ATOM 0 HG21 THR A 7 11.503 4.993 -9.326 1.00 0.00 H new ATOM 0 HG22 THR A 7 11.182 3.882 -7.974 1.00 0.00 H new ATOM 0 HG23 THR A 7 12.107 5.377 -7.697 1.00 0.00 H new ATOM 107 N LEU A 8 12.191 2.586 -5.719 1.00 0.00 N ATOM 108 CA LEU A 8 11.244 1.694 -5.074 1.00 0.00 C ATOM 109 C LEU A 8 9.834 2.275 -5.062 1.00 0.00 C ATOM 110 O LEU A 8 9.556 3.296 -5.692 1.00 0.00 O ATOM 111 CB LEU A 8 11.707 1.393 -3.648 1.00 0.00 C ATOM 112 CG LEU A 8 13.149 0.887 -3.538 1.00 0.00 C ATOM 113 CD1 LEU A 8 14.132 2.046 -3.556 1.00 0.00 C ATOM 114 CD2 LEU A 8 13.334 0.060 -2.275 1.00 0.00 C ATOM 0 H LEU A 8 12.322 3.482 -5.250 1.00 0.00 H new ATOM 0 HA LEU A 8 11.209 0.769 -5.649 1.00 0.00 H new ATOM 0 HB2 LEU A 8 11.607 2.298 -3.049 1.00 0.00 H new ATOM 0 HB3 LEU A 8 11.040 0.648 -3.213 1.00 0.00 H new ATOM 0 HG LEU A 8 13.349 0.252 -4.401 1.00 0.00 H new ATOM 0 HD11 LEU A 8 15.149 1.662 -3.477 1.00 0.00 H new ATOM 0 HD12 LEU A 8 14.025 2.599 -4.489 1.00 0.00 H new ATOM 0 HD13 LEU A 8 13.928 2.709 -2.715 1.00 0.00 H new ATOM 0 HD21 LEU A 8 14.365 -0.289 -2.217 1.00 0.00 H new ATOM 0 HD22 LEU A 8 13.109 0.673 -1.402 1.00 0.00 H new ATOM 0 HD23 LEU A 8 12.661 -0.797 -2.300 1.00 0.00 H new ATOM 126 N SER A 9 8.954 1.600 -4.336 1.00 0.00 N ATOM 127 CA SER A 9 7.567 2.033 -4.225 1.00 0.00 C ATOM 128 C SER A 9 7.112 2.043 -2.775 1.00 0.00 C ATOM 129 O SER A 9 6.731 3.086 -2.243 1.00 0.00 O ATOM 130 CB SER A 9 6.659 1.117 -5.047 1.00 0.00 C ATOM 131 OG SER A 9 7.074 1.070 -6.402 1.00 0.00 O ATOM 0 H SER A 9 9.175 0.751 -3.815 1.00 0.00 H new ATOM 0 HA SER A 9 7.500 3.049 -4.614 1.00 0.00 H new ATOM 0 HB2 SER A 9 6.672 0.112 -4.624 1.00 0.00 H new ATOM 0 HB3 SER A 9 5.630 1.473 -4.991 1.00 0.00 H new ATOM 0 HG SER A 9 6.479 0.477 -6.906 1.00 0.00 H new ATOM 137 N PHE A 10 7.164 0.878 -2.140 1.00 0.00 N ATOM 138 CA PHE A 10 6.756 0.743 -0.744 1.00 0.00 C ATOM 139 C PHE A 10 7.455 1.768 0.135 1.00 0.00 C ATOM 140 O PHE A 10 7.053 1.996 1.273 1.00 0.00 O ATOM 141 CB PHE A 10 7.056 -0.662 -0.232 1.00 0.00 C ATOM 142 CG PHE A 10 8.179 -1.343 -0.965 1.00 0.00 C ATOM 143 CD1 PHE A 10 9.491 -0.954 -0.758 1.00 0.00 C ATOM 144 CD2 PHE A 10 7.920 -2.367 -1.860 1.00 0.00 C ATOM 145 CE1 PHE A 10 10.526 -1.574 -1.428 1.00 0.00 C ATOM 146 CE2 PHE A 10 8.953 -2.993 -2.535 1.00 0.00 C ATOM 147 CZ PHE A 10 10.258 -2.596 -2.319 1.00 0.00 C ATOM 0 H PHE A 10 7.485 0.010 -2.570 1.00 0.00 H new ATOM 0 HA PHE A 10 5.682 0.921 -0.696 1.00 0.00 H new ATOM 0 HB2 PHE A 10 7.305 -0.608 0.828 1.00 0.00 H new ATOM 0 HB3 PHE A 10 6.156 -1.271 -0.317 1.00 0.00 H new ATOM 0 HD1 PHE A 10 9.707 -0.156 -0.064 1.00 0.00 H new ATOM 0 HD2 PHE A 10 6.901 -2.680 -2.033 1.00 0.00 H new ATOM 0 HE1 PHE A 10 11.545 -1.261 -1.256 1.00 0.00 H new ATOM 0 HE2 PHE A 10 8.739 -3.791 -3.230 1.00 0.00 H new ATOM 0 HZ PHE A 10 11.066 -3.083 -2.845 1.00 0.00 H new ATOM 157 N ALA A 11 8.506 2.378 -0.396 1.00 0.00 N ATOM 158 CA ALA A 11 9.241 3.385 0.351 1.00 0.00 C ATOM 159 C ALA A 11 9.882 4.410 -0.572 1.00 0.00 C ATOM 160 O ALA A 11 10.165 4.151 -1.743 1.00 0.00 O ATOM 161 CB ALA A 11 10.296 2.721 1.222 1.00 0.00 C ATOM 0 H ALA A 11 8.865 2.194 -1.333 1.00 0.00 H new ATOM 0 HA ALA A 11 8.533 3.915 0.988 1.00 0.00 H new ATOM 0 HB1 ALA A 11 10.842 3.484 1.778 1.00 0.00 H new ATOM 0 HB2 ALA A 11 9.813 2.038 1.921 1.00 0.00 H new ATOM 0 HB3 ALA A 11 10.990 2.165 0.592 1.00 0.00 H new ATOM 167 N ALA A 12 10.098 5.585 0.006 1.00 0.00 N ATOM 168 CA ALA A 12 10.753 6.675 -0.701 1.00 0.00 C ATOM 169 C ALA A 12 11.854 7.289 0.164 1.00 0.00 C ATOM 170 O ALA A 12 11.952 6.980 1.352 1.00 0.00 O ATOM 171 CB ALA A 12 9.734 7.729 -1.107 1.00 0.00 C ATOM 0 H ALA A 12 9.828 5.806 0.964 1.00 0.00 H new ATOM 0 HA ALA A 12 11.214 6.277 -1.605 1.00 0.00 H new ATOM 0 HB1 ALA A 12 10.238 8.538 -1.635 1.00 0.00 H new ATOM 0 HB2 ALA A 12 8.986 7.280 -1.761 1.00 0.00 H new ATOM 0 HB3 ALA A 12 9.246 8.125 -0.217 1.00 0.00 H new ATOM 177 N PRO A 13 12.697 8.168 -0.410 1.00 0.00 N ATOM 178 CA PRO A 13 13.785 8.801 0.340 1.00 0.00 C ATOM 179 C PRO A 13 13.261 9.695 1.457 1.00 0.00 C ATOM 180 O PRO A 13 12.200 10.308 1.335 1.00 0.00 O ATOM 181 CB PRO A 13 14.528 9.630 -0.714 1.00 0.00 C ATOM 182 CG PRO A 13 13.553 9.825 -1.823 1.00 0.00 C ATOM 183 CD PRO A 13 12.649 8.622 -1.812 1.00 0.00 C ATOM 0 HA PRO A 13 14.421 8.066 0.833 1.00 0.00 H new ATOM 0 HB2 PRO A 13 14.853 10.586 -0.304 1.00 0.00 H new ATOM 0 HB3 PRO A 13 15.422 9.112 -1.063 1.00 0.00 H new ATOM 0 HG2 PRO A 13 12.981 10.742 -1.680 1.00 0.00 H new ATOM 0 HG3 PRO A 13 14.067 9.916 -2.780 1.00 0.00 H new ATOM 0 HD2 PRO A 13 11.634 8.880 -2.116 1.00 0.00 H new ATOM 0 HD3 PRO A 13 13.000 7.850 -2.496 1.00 0.00 H new ATOM 191 N MET A 14 14.020 9.759 2.546 1.00 0.00 N ATOM 192 CA MET A 14 13.640 10.567 3.698 1.00 0.00 C ATOM 193 C MET A 14 14.848 11.302 4.266 1.00 0.00 C ATOM 194 O MET A 14 14.715 12.260 5.026 1.00 0.00 O ATOM 195 CB MET A 14 13.009 9.682 4.777 1.00 0.00 C ATOM 196 CG MET A 14 12.332 10.465 5.888 1.00 0.00 C ATOM 197 SD MET A 14 11.701 9.405 7.203 1.00 0.00 S ATOM 198 CE MET A 14 13.229 8.765 7.886 1.00 0.00 C ATOM 0 H MET A 14 14.903 9.260 2.654 1.00 0.00 H new ATOM 0 HA MET A 14 12.910 11.307 3.371 1.00 0.00 H new ATOM 0 HB2 MET A 14 12.277 9.022 4.311 1.00 0.00 H new ATOM 0 HB3 MET A 14 13.781 9.046 5.211 1.00 0.00 H new ATOM 0 HG2 MET A 14 13.042 11.177 6.310 1.00 0.00 H new ATOM 0 HG3 MET A 14 11.510 11.045 5.469 1.00 0.00 H new ATOM 0 HE1 MET A 14 13.279 7.689 7.721 1.00 0.00 H new ATOM 0 HE2 MET A 14 14.076 9.246 7.397 1.00 0.00 H new ATOM 0 HE3 MET A 14 13.263 8.970 8.956 1.00 0.00 H new ATOM 208 N ASP A 15 16.027 10.830 3.880 1.00 0.00 N ATOM 209 CA ASP A 15 17.286 11.418 4.316 1.00 0.00 C ATOM 210 C ASP A 15 18.378 11.102 3.297 1.00 0.00 C ATOM 211 O ASP A 15 18.347 11.616 2.179 1.00 0.00 O ATOM 212 CB ASP A 15 17.668 10.897 5.704 1.00 0.00 C ATOM 213 CG ASP A 15 18.876 11.612 6.280 1.00 0.00 C ATOM 214 OD1 ASP A 15 18.703 12.724 6.821 1.00 0.00 O ATOM 215 OD2 ASP A 15 19.993 11.061 6.189 1.00 0.00 O ATOM 0 H ASP A 15 16.137 10.030 3.257 1.00 0.00 H new ATOM 0 HA ASP A 15 17.172 12.500 4.385 1.00 0.00 H new ATOM 0 HB2 ASP A 15 16.821 11.018 6.380 1.00 0.00 H new ATOM 0 HB3 ASP A 15 17.877 9.829 5.643 1.00 0.00 H new ATOM 220 N ILE A 16 19.333 10.253 3.687 1.00 0.00 N ATOM 221 CA ILE A 16 20.428 9.847 2.808 1.00 0.00 C ATOM 222 C ILE A 16 20.848 10.967 1.875 1.00 0.00 C ATOM 223 O ILE A 16 20.369 11.059 0.745 1.00 0.00 O ATOM 224 CB ILE A 16 20.070 8.595 1.968 1.00 0.00 C ATOM 225 CG1 ILE A 16 21.116 8.356 0.872 1.00 0.00 C ATOM 226 CG2 ILE A 16 18.678 8.725 1.364 1.00 0.00 C ATOM 227 CD1 ILE A 16 20.820 7.153 0.000 1.00 0.00 C ATOM 0 H ILE A 16 19.367 9.831 4.615 1.00 0.00 H new ATOM 0 HA ILE A 16 21.261 9.600 3.466 1.00 0.00 H new ATOM 0 HB ILE A 16 20.071 7.732 2.634 1.00 0.00 H new ATOM 0 HG12 ILE A 16 21.179 9.243 0.242 1.00 0.00 H new ATOM 0 HG13 ILE A 16 22.093 8.225 1.337 1.00 0.00 H new ATOM 0 HG21 ILE A 16 18.450 7.834 0.779 1.00 0.00 H new ATOM 0 HG22 ILE A 16 17.944 8.833 2.162 1.00 0.00 H new ATOM 0 HG23 ILE A 16 18.642 9.602 0.718 1.00 0.00 H new ATOM 0 HD11 ILE A 16 21.602 7.047 -0.752 1.00 0.00 H new ATOM 0 HD12 ILE A 16 20.786 6.255 0.618 1.00 0.00 H new ATOM 0 HD13 ILE A 16 19.858 7.290 -0.494 1.00 0.00 H new ATOM 239 N THR A 17 21.717 11.840 2.356 1.00 0.00 N ATOM 240 CA THR A 17 22.207 12.925 1.523 1.00 0.00 C ATOM 241 C THR A 17 22.660 12.359 0.187 1.00 0.00 C ATOM 242 O THR A 17 23.597 11.562 0.127 1.00 0.00 O ATOM 243 CB THR A 17 23.376 13.681 2.178 1.00 0.00 C ATOM 244 OG1 THR A 17 24.258 12.756 2.827 1.00 0.00 O ATOM 245 CG2 THR A 17 22.867 14.702 3.184 1.00 0.00 C ATOM 0 H THR A 17 22.093 11.821 3.304 1.00 0.00 H new ATOM 0 HA THR A 17 21.392 13.635 1.387 1.00 0.00 H new ATOM 0 HB THR A 17 23.920 14.210 1.396 1.00 0.00 H new ATOM 0 HG1 THR A 17 24.403 11.980 2.246 1.00 0.00 H new ATOM 0 HG21 THR A 17 23.713 15.223 3.633 1.00 0.00 H new ATOM 0 HG22 THR A 17 22.224 15.422 2.678 1.00 0.00 H new ATOM 0 HG23 THR A 17 22.299 14.193 3.963 1.00 0.00 H new ATOM 253 N LEU A 18 21.983 12.760 -0.881 1.00 0.00 N ATOM 254 CA LEU A 18 22.299 12.268 -2.208 1.00 0.00 C ATOM 255 C LEU A 18 23.579 12.899 -2.748 1.00 0.00 C ATOM 256 O LEU A 18 23.699 13.160 -3.944 1.00 0.00 O ATOM 257 CB LEU A 18 21.137 12.553 -3.160 1.00 0.00 C ATOM 258 CG LEU A 18 20.069 11.458 -3.246 1.00 0.00 C ATOM 259 CD1 LEU A 18 20.699 10.124 -3.615 1.00 0.00 C ATOM 260 CD2 LEU A 18 19.309 11.345 -1.935 1.00 0.00 C ATOM 0 H LEU A 18 21.211 13.426 -0.850 1.00 0.00 H new ATOM 0 HA LEU A 18 22.458 11.192 -2.138 1.00 0.00 H new ATOM 0 HB2 LEU A 18 20.656 13.481 -2.851 1.00 0.00 H new ATOM 0 HB3 LEU A 18 21.541 12.721 -4.158 1.00 0.00 H new ATOM 0 HG LEU A 18 19.362 11.732 -4.029 1.00 0.00 H new ATOM 0 HD11 LEU A 18 19.925 9.359 -3.671 1.00 0.00 H new ATOM 0 HD12 LEU A 18 21.194 10.211 -4.582 1.00 0.00 H new ATOM 0 HD13 LEU A 18 21.430 9.845 -2.857 1.00 0.00 H new ATOM 0 HD21 LEU A 18 18.555 10.562 -2.018 1.00 0.00 H new ATOM 0 HD22 LEU A 18 20.003 11.097 -1.132 1.00 0.00 H new ATOM 0 HD23 LEU A 18 18.822 12.295 -1.714 1.00 0.00 H new ATOM 272 N THR A 19 24.535 13.131 -1.859 1.00 0.00 N ATOM 273 CA THR A 19 25.807 13.732 -2.237 1.00 0.00 C ATOM 274 C THR A 19 26.821 12.662 -2.630 1.00 0.00 C ATOM 275 O THR A 19 27.966 12.968 -2.963 1.00 0.00 O ATOM 276 CB THR A 19 26.380 14.578 -1.086 1.00 0.00 C ATOM 277 OG1 THR A 19 26.881 13.724 -0.050 1.00 0.00 O ATOM 278 CG2 THR A 19 25.311 15.498 -0.516 1.00 0.00 C ATOM 0 H THR A 19 24.453 12.911 -0.866 1.00 0.00 H new ATOM 0 HA THR A 19 25.620 14.378 -3.095 1.00 0.00 H new ATOM 0 HB THR A 19 27.195 15.186 -1.479 1.00 0.00 H new ATOM 0 HG1 THR A 19 27.245 14.271 0.677 1.00 0.00 H new ATOM 0 HG21 THR A 19 25.735 16.088 0.297 1.00 0.00 H new ATOM 0 HG22 THR A 19 24.950 16.165 -1.299 1.00 0.00 H new ATOM 0 HG23 THR A 19 24.482 14.901 -0.137 1.00 0.00 H new ATOM 286 N GLU A 20 26.385 11.408 -2.590 1.00 0.00 N ATOM 287 CA GLU A 20 27.244 10.282 -2.942 1.00 0.00 C ATOM 288 C GLU A 20 26.507 9.308 -3.855 1.00 0.00 C ATOM 289 O GLU A 20 25.396 8.877 -3.548 1.00 0.00 O ATOM 290 CB GLU A 20 27.713 9.556 -1.679 1.00 0.00 C ATOM 291 CG GLU A 20 28.725 10.343 -0.861 1.00 0.00 C ATOM 292 CD GLU A 20 30.081 10.425 -1.534 1.00 0.00 C ATOM 293 OE1 GLU A 20 30.272 11.325 -2.378 1.00 0.00 O ATOM 294 OE2 GLU A 20 30.952 9.588 -1.217 1.00 0.00 O ATOM 0 H GLU A 20 25.438 11.144 -2.316 1.00 0.00 H new ATOM 0 HA GLU A 20 28.113 10.670 -3.473 1.00 0.00 H new ATOM 0 HB2 GLU A 20 26.847 9.336 -1.055 1.00 0.00 H new ATOM 0 HB3 GLU A 20 28.153 8.600 -1.963 1.00 0.00 H new ATOM 0 HG2 GLU A 20 28.346 11.351 -0.693 1.00 0.00 H new ATOM 0 HG3 GLU A 20 28.837 9.877 0.118 1.00 0.00 H new ATOM 301 N THR A 21 27.130 8.964 -4.977 1.00 0.00 N ATOM 302 CA THR A 21 26.526 8.039 -5.929 1.00 0.00 C ATOM 303 C THR A 21 26.770 6.594 -5.507 1.00 0.00 C ATOM 304 O THR A 21 26.166 5.667 -6.046 1.00 0.00 O ATOM 305 CB THR A 21 27.088 8.245 -7.347 1.00 0.00 C ATOM 306 OG1 THR A 21 27.174 9.645 -7.643 1.00 0.00 O ATOM 307 CG2 THR A 21 26.206 7.564 -8.382 1.00 0.00 C ATOM 0 H THR A 21 28.050 9.310 -5.249 1.00 0.00 H new ATOM 0 HA THR A 21 25.455 8.243 -5.938 1.00 0.00 H new ATOM 0 HB THR A 21 28.083 7.801 -7.385 1.00 0.00 H new ATOM 0 HG1 THR A 21 27.534 9.767 -8.546 1.00 0.00 H new ATOM 0 HG21 THR A 21 26.623 7.723 -9.377 1.00 0.00 H new ATOM 0 HG22 THR A 21 26.160 6.495 -8.174 1.00 0.00 H new ATOM 0 HG23 THR A 21 25.202 7.985 -8.338 1.00 0.00 H new ATOM 315 N ARG A 22 27.657 6.412 -4.535 1.00 0.00 N ATOM 316 CA ARG A 22 27.993 5.082 -4.039 1.00 0.00 C ATOM 317 C ARG A 22 27.777 5.000 -2.531 1.00 0.00 C ATOM 318 O ARG A 22 27.747 6.024 -1.848 1.00 0.00 O ATOM 319 CB ARG A 22 29.438 4.751 -4.374 1.00 0.00 C ATOM 320 CG ARG A 22 29.735 4.754 -5.866 1.00 0.00 C ATOM 321 CD ARG A 22 31.193 4.431 -6.147 1.00 0.00 C ATOM 322 NE ARG A 22 32.095 5.413 -5.552 1.00 0.00 N ATOM 323 CZ ARG A 22 33.421 5.326 -5.612 1.00 0.00 C ATOM 324 NH1 ARG A 22 33.994 4.307 -6.239 1.00 0.00 N ATOM 325 NH2 ARG A 22 34.175 6.259 -5.047 1.00 0.00 N ATOM 0 H ARG A 22 28.158 7.171 -4.073 1.00 0.00 H new ATOM 0 HA ARG A 22 27.338 4.358 -4.523 1.00 0.00 H new ATOM 0 HB2 ARG A 22 30.090 5.472 -3.881 1.00 0.00 H new ATOM 0 HB3 ARG A 22 29.681 3.770 -3.966 1.00 0.00 H new ATOM 0 HG2 ARG A 22 29.097 4.025 -6.366 1.00 0.00 H new ATOM 0 HG3 ARG A 22 29.491 5.731 -6.284 1.00 0.00 H new ATOM 0 HD2 ARG A 22 31.427 3.441 -5.756 1.00 0.00 H new ATOM 0 HD3 ARG A 22 31.355 4.395 -7.224 1.00 0.00 H new ATOM 0 HE ARG A 22 31.686 6.209 -5.064 1.00 0.00 H new ATOM 0 HH11 ARG A 22 33.418 3.588 -6.676 1.00 0.00 H new ATOM 0 HH12 ARG A 22 35.011 4.242 -6.284 1.00 0.00 H new ATOM 0 HH21 ARG A 22 33.738 7.045 -4.565 1.00 0.00 H new ATOM 0 HH22 ARG A 22 35.192 6.191 -5.094 1.00 0.00 H new ATOM 339 N PHE A 23 27.631 3.780 -2.008 1.00 0.00 N ATOM 340 CA PHE A 23 27.400 3.559 -0.581 1.00 0.00 C ATOM 341 C PHE A 23 28.024 2.241 -0.139 1.00 0.00 C ATOM 342 O PHE A 23 27.444 1.173 -0.338 1.00 0.00 O ATOM 343 CB PHE A 23 25.895 3.546 -0.289 1.00 0.00 C ATOM 344 CG PHE A 23 25.190 4.788 -0.748 1.00 0.00 C ATOM 345 CD1 PHE A 23 24.848 4.948 -2.080 1.00 0.00 C ATOM 346 CD2 PHE A 23 24.887 5.802 0.145 1.00 0.00 C ATOM 347 CE1 PHE A 23 24.218 6.094 -2.515 1.00 0.00 C ATOM 348 CE2 PHE A 23 24.251 6.951 -0.284 1.00 0.00 C ATOM 349 CZ PHE A 23 23.917 7.099 -1.616 1.00 0.00 C ATOM 0 H PHE A 23 27.670 2.923 -2.560 1.00 0.00 H new ATOM 0 HA PHE A 23 27.866 4.372 -0.024 1.00 0.00 H new ATOM 0 HB2 PHE A 23 25.445 2.681 -0.776 1.00 0.00 H new ATOM 0 HB3 PHE A 23 25.741 3.425 0.783 1.00 0.00 H new ATOM 0 HD1 PHE A 23 25.078 4.165 -2.787 1.00 0.00 H new ATOM 0 HD2 PHE A 23 25.150 5.694 1.187 1.00 0.00 H new ATOM 0 HE1 PHE A 23 23.960 6.206 -3.558 1.00 0.00 H new ATOM 0 HE2 PHE A 23 24.015 7.733 0.422 1.00 0.00 H new ATOM 0 HZ PHE A 23 23.422 7.998 -1.954 1.00 0.00 H new ATOM 359 N LYS A 24 29.225 2.323 0.439 1.00 0.00 N ATOM 360 CA LYS A 24 29.938 1.143 0.927 1.00 0.00 C ATOM 361 C LYS A 24 29.016 0.216 1.693 1.00 0.00 C ATOM 362 O LYS A 24 27.888 0.574 2.031 1.00 0.00 O ATOM 363 CB LYS A 24 31.091 1.548 1.844 1.00 0.00 C ATOM 364 CG LYS A 24 30.741 2.649 2.831 1.00 0.00 C ATOM 365 CD LYS A 24 31.946 3.043 3.667 1.00 0.00 C ATOM 366 CE LYS A 24 31.579 4.066 4.731 1.00 0.00 C ATOM 367 NZ LYS A 24 30.631 3.507 5.734 1.00 0.00 N ATOM 0 H LYS A 24 29.725 3.201 0.580 1.00 0.00 H new ATOM 0 HA LYS A 24 30.325 0.621 0.052 1.00 0.00 H new ATOM 0 HB2 LYS A 24 31.426 0.671 2.398 1.00 0.00 H new ATOM 0 HB3 LYS A 24 31.930 1.877 1.231 1.00 0.00 H new ATOM 0 HG2 LYS A 24 30.370 3.520 2.291 1.00 0.00 H new ATOM 0 HG3 LYS A 24 29.936 2.312 3.485 1.00 0.00 H new ATOM 0 HD2 LYS A 24 32.365 2.156 4.143 1.00 0.00 H new ATOM 0 HD3 LYS A 24 32.721 3.453 3.019 1.00 0.00 H new ATOM 0 HE2 LYS A 24 32.483 4.405 5.236 1.00 0.00 H new ATOM 0 HE3 LYS A 24 31.132 4.939 4.256 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 30.601 4.128 6.568 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 29.681 3.443 5.316 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 30.948 2.559 6.020 1.00 0.00 H new ATOM 381 N THR A 25 29.514 -0.975 1.983 1.00 0.00 N ATOM 382 CA THR A 25 28.750 -1.937 2.739 1.00 0.00 C ATOM 383 C THR A 25 28.494 -1.387 4.132 1.00 0.00 C ATOM 384 O THR A 25 29.089 -0.383 4.524 1.00 0.00 O ATOM 385 CB THR A 25 29.478 -3.285 2.840 1.00 0.00 C ATOM 386 OG1 THR A 25 30.845 -3.081 3.217 1.00 0.00 O ATOM 387 CG2 THR A 25 29.412 -4.044 1.519 1.00 0.00 C ATOM 0 H THR A 25 30.442 -1.292 1.704 1.00 0.00 H new ATOM 0 HA THR A 25 27.806 -2.108 2.221 1.00 0.00 H new ATOM 0 HB THR A 25 28.979 -3.882 3.604 1.00 0.00 H new ATOM 0 HG1 THR A 25 31.300 -3.947 3.280 1.00 0.00 H new ATOM 0 HG21 THR A 25 29.935 -4.995 1.619 1.00 0.00 H new ATOM 0 HG22 THR A 25 28.370 -4.229 1.257 1.00 0.00 H new ATOM 0 HG23 THR A 25 29.883 -3.451 0.735 1.00 0.00 H new ATOM 395 N GLY A 26 27.620 -2.036 4.883 1.00 0.00 N ATOM 396 CA GLY A 26 27.315 -1.567 6.219 1.00 0.00 C ATOM 397 C GLY A 26 26.504 -0.282 6.211 1.00 0.00 C ATOM 398 O GLY A 26 25.850 0.044 7.202 1.00 0.00 O ATOM 0 H GLY A 26 27.118 -2.875 4.594 1.00 0.00 H new ATOM 0 HA2 GLY A 26 26.762 -2.339 6.755 1.00 0.00 H new ATOM 0 HA3 GLY A 26 28.244 -1.404 6.765 1.00 0.00 H new ATOM 402 N THR A 27 26.543 0.456 5.096 1.00 0.00 N ATOM 403 CA THR A 27 25.805 1.708 4.969 1.00 0.00 C ATOM 404 C THR A 27 24.310 1.451 5.125 1.00 0.00 C ATOM 405 O THR A 27 23.838 0.351 4.849 1.00 0.00 O ATOM 406 CB THR A 27 26.069 2.371 3.602 1.00 0.00 C ATOM 407 OG1 THR A 27 25.967 3.796 3.723 1.00 0.00 O ATOM 408 CG2 THR A 27 25.083 1.884 2.549 1.00 0.00 C ATOM 0 H THR A 27 27.082 0.202 4.268 1.00 0.00 H new ATOM 0 HA THR A 27 26.147 2.381 5.755 1.00 0.00 H new ATOM 0 HB THR A 27 27.075 2.095 3.286 1.00 0.00 H new ATOM 0 HG1 THR A 27 26.137 4.211 2.852 1.00 0.00 H new ATOM 0 HG21 THR A 27 25.297 2.371 1.597 1.00 0.00 H new ATOM 0 HG22 THR A 27 25.178 0.804 2.434 1.00 0.00 H new ATOM 0 HG23 THR A 27 24.067 2.128 2.861 1.00 0.00 H new ATOM 416 N THR A 28 23.564 2.457 5.561 1.00 0.00 N ATOM 417 CA THR A 28 22.126 2.289 5.741 1.00 0.00 C ATOM 418 C THR A 28 21.368 3.591 5.519 1.00 0.00 C ATOM 419 O THR A 28 21.661 4.608 6.148 1.00 0.00 O ATOM 420 CB THR A 28 21.798 1.751 7.146 1.00 0.00 C ATOM 421 OG1 THR A 28 22.470 0.504 7.362 1.00 0.00 O ATOM 422 CG2 THR A 28 20.298 1.557 7.317 1.00 0.00 C ATOM 0 H THR A 28 23.921 3.384 5.794 1.00 0.00 H new ATOM 0 HA THR A 28 21.806 1.566 4.991 1.00 0.00 H new ATOM 0 HB THR A 28 22.140 2.482 7.878 1.00 0.00 H new ATOM 0 HG1 THR A 28 22.258 0.169 8.258 1.00 0.00 H new ATOM 0 HG21 THR A 28 20.092 1.176 8.317 1.00 0.00 H new ATOM 0 HG22 THR A 28 19.790 2.511 7.180 1.00 0.00 H new ATOM 0 HG23 THR A 28 19.937 0.844 6.576 1.00 0.00 H new ATOM 430 N LEU A 29 20.390 3.552 4.619 1.00 0.00 N ATOM 431 CA LEU A 29 19.602 4.737 4.310 1.00 0.00 C ATOM 432 C LEU A 29 18.225 4.671 4.955 1.00 0.00 C ATOM 433 O LEU A 29 17.738 3.596 5.307 1.00 0.00 O ATOM 434 CB LEU A 29 19.455 4.940 2.798 1.00 0.00 C ATOM 435 CG LEU A 29 19.302 3.669 1.959 1.00 0.00 C ATOM 436 CD1 LEU A 29 18.697 3.998 0.604 1.00 0.00 C ATOM 437 CD2 LEU A 29 20.646 2.986 1.777 1.00 0.00 C ATOM 0 H LEU A 29 20.127 2.718 4.095 1.00 0.00 H new ATOM 0 HA LEU A 29 20.142 5.589 4.722 1.00 0.00 H new ATOM 0 HB2 LEU A 29 18.587 5.575 2.620 1.00 0.00 H new ATOM 0 HB3 LEU A 29 20.328 5.485 2.439 1.00 0.00 H new ATOM 0 HG LEU A 29 18.633 2.989 2.487 1.00 0.00 H new ATOM 0 HD11 LEU A 29 18.595 3.084 0.019 1.00 0.00 H new ATOM 0 HD12 LEU A 29 17.715 4.451 0.744 1.00 0.00 H new ATOM 0 HD13 LEU A 29 19.346 4.696 0.075 1.00 0.00 H new ATOM 0 HD21 LEU A 29 20.518 2.084 1.178 1.00 0.00 H new ATOM 0 HD22 LEU A 29 21.333 3.664 1.270 1.00 0.00 H new ATOM 0 HD23 LEU A 29 21.053 2.719 2.752 1.00 0.00 H new ATOM 449 N LYS A 30 17.606 5.834 5.102 1.00 0.00 N ATOM 450 CA LYS A 30 16.286 5.937 5.701 1.00 0.00 C ATOM 451 C LYS A 30 15.214 6.111 4.632 1.00 0.00 C ATOM 452 O LYS A 30 15.323 6.975 3.762 1.00 0.00 O ATOM 453 CB LYS A 30 16.243 7.113 6.673 1.00 0.00 C ATOM 454 CG LYS A 30 16.673 6.757 8.086 1.00 0.00 C ATOM 455 CD LYS A 30 16.431 7.911 9.047 1.00 0.00 C ATOM 456 CE LYS A 30 16.887 7.570 10.456 1.00 0.00 C ATOM 457 NZ LYS A 30 16.016 6.543 11.093 1.00 0.00 N ATOM 0 H LYS A 30 18.003 6.727 4.811 1.00 0.00 H new ATOM 0 HA LYS A 30 16.085 5.013 6.243 1.00 0.00 H new ATOM 0 HB2 LYS A 30 16.888 7.907 6.296 1.00 0.00 H new ATOM 0 HB3 LYS A 30 15.229 7.512 6.701 1.00 0.00 H new ATOM 0 HG2 LYS A 30 16.124 5.878 8.425 1.00 0.00 H new ATOM 0 HG3 LYS A 30 17.731 6.493 8.091 1.00 0.00 H new ATOM 0 HD2 LYS A 30 16.963 8.795 8.696 1.00 0.00 H new ATOM 0 HD3 LYS A 30 15.370 8.160 9.058 1.00 0.00 H new ATOM 0 HE2 LYS A 30 17.914 7.206 10.426 1.00 0.00 H new ATOM 0 HE3 LYS A 30 16.887 8.474 11.065 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 16.300 6.414 12.085 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 15.025 6.856 11.054 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 16.114 5.641 10.585 1.00 0.00 H new ATOM 471 N TYR A 31 14.177 5.287 4.710 1.00 0.00 N ATOM 472 CA TYR A 31 13.077 5.341 3.754 1.00 0.00 C ATOM 473 C TYR A 31 11.733 5.309 4.478 1.00 0.00 C ATOM 474 O TYR A 31 11.608 4.706 5.543 1.00 0.00 O ATOM 475 CB TYR A 31 13.178 4.171 2.770 1.00 0.00 C ATOM 476 CG TYR A 31 13.815 4.533 1.447 1.00 0.00 C ATOM 477 CD1 TYR A 31 15.073 5.120 1.393 1.00 0.00 C ATOM 478 CD2 TYR A 31 13.157 4.284 0.249 1.00 0.00 C ATOM 479 CE1 TYR A 31 15.655 5.449 0.184 1.00 0.00 C ATOM 480 CE2 TYR A 31 13.734 4.609 -0.963 1.00 0.00 C ATOM 481 CZ TYR A 31 14.982 5.191 -0.990 1.00 0.00 C ATOM 482 OH TYR A 31 15.560 5.517 -2.197 1.00 0.00 O ATOM 0 H TYR A 31 14.074 4.570 5.428 1.00 0.00 H new ATOM 0 HA TYR A 31 13.145 6.277 3.199 1.00 0.00 H new ATOM 0 HB2 TYR A 31 13.755 3.370 3.232 1.00 0.00 H new ATOM 0 HB3 TYR A 31 12.178 3.778 2.585 1.00 0.00 H new ATOM 0 HD1 TYR A 31 15.605 5.322 2.311 1.00 0.00 H new ATOM 0 HD2 TYR A 31 12.178 3.829 0.266 1.00 0.00 H new ATOM 0 HE1 TYR A 31 16.633 5.906 0.159 1.00 0.00 H new ATOM 0 HE2 TYR A 31 13.209 4.408 -1.885 1.00 0.00 H new ATOM 0 HH TYR A 31 14.955 5.269 -2.927 1.00 0.00 H new ATOM 492 N THR A 32 10.732 5.968 3.900 1.00 0.00 N ATOM 493 CA THR A 32 9.397 6.014 4.493 1.00 0.00 C ATOM 494 C THR A 32 8.441 5.074 3.766 1.00 0.00 C ATOM 495 O THR A 32 8.258 5.178 2.554 1.00 0.00 O ATOM 496 CB THR A 32 8.814 7.444 4.467 1.00 0.00 C ATOM 497 OG1 THR A 32 7.504 7.434 3.886 1.00 0.00 O ATOM 498 CG2 THR A 32 9.712 8.391 3.682 1.00 0.00 C ATOM 0 H THR A 32 10.820 6.478 3.021 1.00 0.00 H new ATOM 0 HA THR A 32 9.502 5.693 5.530 1.00 0.00 H new ATOM 0 HB THR A 32 8.754 7.798 5.496 1.00 0.00 H new ATOM 0 HG1 THR A 32 7.144 8.345 3.876 1.00 0.00 H new ATOM 0 HG21 THR A 32 9.275 9.390 3.681 1.00 0.00 H new ATOM 0 HG22 THR A 32 10.698 8.426 4.146 1.00 0.00 H new ATOM 0 HG23 THR A 32 9.807 8.036 2.656 1.00 0.00 H new ATOM 506 N CYS A 33 7.828 4.157 4.513 1.00 0.00 N ATOM 507 CA CYS A 33 6.895 3.197 3.929 1.00 0.00 C ATOM 508 C CYS A 33 5.526 3.821 3.685 1.00 0.00 C ATOM 509 O CYS A 33 4.880 4.349 4.590 1.00 0.00 O ATOM 510 CB CYS A 33 6.743 1.967 4.828 1.00 0.00 C ATOM 511 SG CYS A 33 8.091 0.750 4.672 1.00 0.00 S ATOM 0 H CYS A 33 7.960 4.059 5.520 1.00 0.00 H new ATOM 0 HA CYS A 33 7.311 2.891 2.969 1.00 0.00 H new ATOM 0 HB2 CYS A 33 6.685 2.295 5.866 1.00 0.00 H new ATOM 0 HB3 CYS A 33 5.798 1.476 4.595 1.00 0.00 H new ATOM 516 N LEU A 34 5.127 3.746 2.417 1.00 0.00 N ATOM 517 CA LEU A 34 3.854 4.285 1.945 1.00 0.00 C ATOM 518 C LEU A 34 2.718 4.019 2.934 1.00 0.00 C ATOM 519 O LEU A 34 2.791 3.102 3.750 1.00 0.00 O ATOM 520 CB LEU A 34 3.507 3.690 0.580 1.00 0.00 C ATOM 521 CG LEU A 34 4.480 4.033 -0.555 1.00 0.00 C ATOM 522 CD1 LEU A 34 3.873 3.659 -1.900 1.00 0.00 C ATOM 523 CD2 LEU A 34 4.857 5.508 -0.530 1.00 0.00 C ATOM 0 H LEU A 34 5.682 3.306 1.683 1.00 0.00 H new ATOM 0 HA LEU A 34 3.968 5.365 1.856 1.00 0.00 H new ATOM 0 HB2 LEU A 34 3.457 2.606 0.678 1.00 0.00 H new ATOM 0 HB3 LEU A 34 2.511 4.031 0.297 1.00 0.00 H new ATOM 0 HG LEU A 34 5.391 3.454 -0.407 1.00 0.00 H new ATOM 0 HD11 LEU A 34 4.574 3.908 -2.697 1.00 0.00 H new ATOM 0 HD12 LEU A 34 3.665 2.589 -1.920 1.00 0.00 H new ATOM 0 HD13 LEU A 34 2.945 4.212 -2.047 1.00 0.00 H new ATOM 0 HD21 LEU A 34 5.548 5.721 -1.346 1.00 0.00 H new ATOM 0 HD22 LEU A 34 3.959 6.115 -0.647 1.00 0.00 H new ATOM 0 HD23 LEU A 34 5.335 5.745 0.421 1.00 0.00 H new ATOM 535 N PRO A 35 1.642 4.826 2.857 1.00 0.00 N ATOM 536 CA PRO A 35 0.485 4.704 3.753 1.00 0.00 C ATOM 537 C PRO A 35 -0.239 3.365 3.655 1.00 0.00 C ATOM 538 O PRO A 35 -0.212 2.566 4.589 1.00 0.00 O ATOM 539 CB PRO A 35 -0.448 5.838 3.306 1.00 0.00 C ATOM 540 CG PRO A 35 0.418 6.778 2.541 1.00 0.00 C ATOM 541 CD PRO A 35 1.471 5.929 1.896 1.00 0.00 C ATOM 0 HA PRO A 35 0.803 4.764 4.794 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -1.260 5.458 2.686 1.00 0.00 H new ATOM 0 HB3 PRO A 35 -0.905 6.333 4.163 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -0.159 7.321 1.793 1.00 0.00 H new ATOM 0 HG3 PRO A 35 0.865 7.522 3.200 1.00 0.00 H new ATOM 0 HD2 PRO A 35 1.154 5.567 0.918 1.00 0.00 H new ATOM 0 HD3 PRO A 35 2.399 6.481 1.746 1.00 0.00 H new ATOM 549 N GLY A 36 -0.900 3.135 2.529 1.00 0.00 N ATOM 550 CA GLY A 36 -1.666 1.915 2.331 1.00 0.00 C ATOM 551 C GLY A 36 -0.814 0.690 2.048 1.00 0.00 C ATOM 552 O GLY A 36 -1.316 -0.304 1.521 1.00 0.00 O ATOM 0 H GLY A 36 -0.920 3.779 1.738 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -2.269 1.728 3.220 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -2.358 2.063 1.502 1.00 0.00 H new ATOM 556 N TYR A 37 0.474 0.765 2.380 1.00 0.00 N ATOM 557 CA TYR A 37 1.349 -0.385 2.176 1.00 0.00 C ATOM 558 C TYR A 37 0.650 -1.663 2.627 1.00 0.00 C ATOM 559 O TYR A 37 0.037 -1.721 3.694 1.00 0.00 O ATOM 560 CB TYR A 37 2.694 -0.193 2.879 1.00 0.00 C ATOM 561 CG TYR A 37 2.621 -0.313 4.370 1.00 0.00 C ATOM 562 CD1 TYR A 37 1.867 0.576 5.119 1.00 0.00 C ATOM 563 CD2 TYR A 37 3.308 -1.318 5.025 1.00 0.00 C ATOM 564 CE1 TYR A 37 1.799 0.464 6.495 1.00 0.00 C ATOM 565 CE2 TYR A 37 3.248 -1.443 6.400 1.00 0.00 C ATOM 566 CZ TYR A 37 2.492 -0.548 7.132 1.00 0.00 C ATOM 567 OH TYR A 37 2.428 -0.666 8.501 1.00 0.00 O ATOM 0 H TYR A 37 0.925 1.588 2.781 1.00 0.00 H new ATOM 0 HA TYR A 37 1.562 -0.475 1.111 1.00 0.00 H new ATOM 0 HB2 TYR A 37 3.400 -0.931 2.499 1.00 0.00 H new ATOM 0 HB3 TYR A 37 3.090 0.789 2.622 1.00 0.00 H new ATOM 0 HD1 TYR A 37 1.325 1.367 4.621 1.00 0.00 H new ATOM 0 HD2 TYR A 37 3.901 -2.016 4.453 1.00 0.00 H new ATOM 0 HE1 TYR A 37 1.208 1.163 7.069 1.00 0.00 H new ATOM 0 HE2 TYR A 37 3.788 -2.234 6.898 1.00 0.00 H new ATOM 0 HH TYR A 37 2.971 -1.429 8.789 1.00 0.00 H new ATOM 577 N VAL A 38 0.752 -2.674 1.783 1.00 0.00 N ATOM 578 CA VAL A 38 0.065 -3.936 2.027 1.00 0.00 C ATOM 579 C VAL A 38 0.998 -4.992 2.632 1.00 0.00 C ATOM 580 O VAL A 38 2.218 -4.832 2.655 1.00 0.00 O ATOM 581 CB VAL A 38 -0.546 -4.452 0.715 1.00 0.00 C ATOM 582 CG1 VAL A 38 -1.208 -5.798 0.908 1.00 0.00 C ATOM 583 CG2 VAL A 38 -1.546 -3.445 0.175 1.00 0.00 C ATOM 0 H VAL A 38 1.302 -2.649 0.924 1.00 0.00 H new ATOM 0 HA VAL A 38 -0.726 -3.752 2.754 1.00 0.00 H new ATOM 0 HB VAL A 38 0.260 -4.578 -0.007 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -1.630 -6.135 -0.039 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -0.469 -6.521 1.253 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -2.003 -5.710 1.649 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -1.974 -3.820 -0.755 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -2.341 -3.294 0.905 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -1.042 -2.497 -0.013 1.00 0.00 H new ATOM 593 N ARG A 39 0.381 -6.058 3.154 1.00 0.00 N ATOM 594 CA ARG A 39 1.086 -7.163 3.805 1.00 0.00 C ATOM 595 C ARG A 39 2.391 -7.542 3.116 1.00 0.00 C ATOM 596 O ARG A 39 2.395 -7.946 1.955 1.00 0.00 O ATOM 597 CB ARG A 39 0.180 -8.392 3.887 1.00 0.00 C ATOM 598 CG ARG A 39 -1.057 -8.184 4.745 1.00 0.00 C ATOM 599 CD ARG A 39 -0.703 -7.987 6.210 1.00 0.00 C ATOM 600 NE ARG A 39 -1.895 -7.874 7.048 1.00 0.00 N ATOM 601 CZ ARG A 39 -2.051 -6.948 7.990 1.00 0.00 C ATOM 602 NH1 ARG A 39 -1.089 -6.066 8.225 1.00 0.00 N ATOM 603 NH2 ARG A 39 -3.171 -6.907 8.699 1.00 0.00 N ATOM 0 H ARG A 39 -0.632 -6.177 3.135 1.00 0.00 H new ATOM 0 HA ARG A 39 1.344 -6.811 4.804 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -0.130 -8.671 2.880 1.00 0.00 H new ATOM 0 HB3 ARG A 39 0.753 -9.228 4.288 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -1.607 -7.315 4.384 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -1.718 -9.045 4.644 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -0.096 -8.825 6.553 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -0.096 -7.088 6.319 1.00 0.00 H new ATOM 0 HE ARG A 39 -2.651 -8.544 6.902 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -0.226 -6.096 7.683 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -1.212 -5.357 8.948 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -3.912 -7.585 8.522 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -3.291 -6.197 9.422 1.00 0.00 H new ATOM 617 N SER A 40 3.486 -7.425 3.875 1.00 0.00 N ATOM 618 CA SER A 40 4.835 -7.756 3.408 1.00 0.00 C ATOM 619 C SER A 40 5.883 -7.054 4.264 1.00 0.00 C ATOM 620 O SER A 40 7.069 -7.382 4.204 1.00 0.00 O ATOM 621 CB SER A 40 5.036 -7.369 1.942 1.00 0.00 C ATOM 622 OG SER A 40 4.664 -8.429 1.076 1.00 0.00 O ATOM 0 H SER A 40 3.460 -7.095 4.840 1.00 0.00 H new ATOM 0 HA SER A 40 4.952 -8.836 3.498 1.00 0.00 H new ATOM 0 HB2 SER A 40 4.443 -6.483 1.712 1.00 0.00 H new ATOM 0 HB3 SER A 40 6.080 -7.107 1.772 1.00 0.00 H new ATOM 0 HG SER A 40 3.805 -8.802 1.366 1.00 0.00 H new ATOM 628 N HIS A 41 5.435 -6.087 5.061 1.00 0.00 N ATOM 629 CA HIS A 41 6.330 -5.321 5.925 1.00 0.00 C ATOM 630 C HIS A 41 7.212 -6.230 6.775 1.00 0.00 C ATOM 631 O HIS A 41 6.791 -7.306 7.201 1.00 0.00 O ATOM 632 CB HIS A 41 5.525 -4.382 6.822 1.00 0.00 C ATOM 633 CG HIS A 41 4.421 -5.064 7.568 1.00 0.00 C ATOM 634 ND1 HIS A 41 4.413 -5.677 8.775 1.00 0.00 N flip ATOM 635 CD2 HIS A 41 3.136 -5.170 7.078 1.00 0.00 C flip ATOM 636 CE1 HIS A 41 3.137 -6.137 8.990 1.00 0.00 C flip ATOM 637 NE2 HIS A 41 2.386 -5.819 7.952 1.00 0.00 N flip ATOM 0 H HIS A 41 4.454 -5.815 5.126 1.00 0.00 H new ATOM 0 HA HIS A 41 6.983 -4.732 5.281 1.00 0.00 H new ATOM 0 HB2 HIS A 41 6.199 -3.911 7.538 1.00 0.00 H new ATOM 0 HB3 HIS A 41 5.101 -3.585 6.211 1.00 0.00 H new ATOM 0 HD1 HIS A 41 5.207 -5.778 9.407 1.00 0.00 H new ATOM 0 HD2 HIS A 41 2.796 -4.783 6.129 1.00 0.00 H new ATOM 0 HE1 HIS A 41 2.802 -6.672 9.866 1.00 0.00 H new ATOM 646 N SER A 42 8.441 -5.779 7.014 1.00 0.00 N ATOM 647 CA SER A 42 9.401 -6.535 7.811 1.00 0.00 C ATOM 648 C SER A 42 10.627 -5.683 8.130 1.00 0.00 C ATOM 649 O SER A 42 11.439 -6.038 8.985 1.00 0.00 O ATOM 650 CB SER A 42 9.827 -7.802 7.065 1.00 0.00 C ATOM 651 OG SER A 42 10.758 -8.554 7.825 1.00 0.00 O ATOM 0 H SER A 42 8.796 -4.889 6.665 1.00 0.00 H new ATOM 0 HA SER A 42 8.920 -6.817 8.748 1.00 0.00 H new ATOM 0 HB2 SER A 42 8.950 -8.413 6.850 1.00 0.00 H new ATOM 0 HB3 SER A 42 10.270 -7.532 6.106 1.00 0.00 H new ATOM 0 HG SER A 42 11.218 -7.963 8.457 1.00 0.00 H new ATOM 657 N THR A 43 10.749 -4.554 7.435 1.00 0.00 N ATOM 658 CA THR A 43 11.872 -3.641 7.630 1.00 0.00 C ATOM 659 C THR A 43 11.576 -2.281 7.001 1.00 0.00 C ATOM 660 O THR A 43 10.425 -1.969 6.695 1.00 0.00 O ATOM 661 CB THR A 43 13.170 -4.197 7.014 1.00 0.00 C ATOM 662 OG1 THR A 43 13.105 -5.625 6.922 1.00 0.00 O ATOM 663 CG2 THR A 43 14.377 -3.798 7.850 1.00 0.00 C ATOM 0 H THR A 43 10.080 -4.249 6.728 1.00 0.00 H new ATOM 0 HA THR A 43 12.009 -3.532 8.706 1.00 0.00 H new ATOM 0 HB THR A 43 13.277 -3.775 6.015 1.00 0.00 H new ATOM 0 HG1 THR A 43 13.935 -5.966 6.528 1.00 0.00 H new ATOM 0 HG21 THR A 43 15.283 -4.201 7.397 1.00 0.00 H new ATOM 0 HG22 THR A 43 14.446 -2.711 7.894 1.00 0.00 H new ATOM 0 HG23 THR A 43 14.268 -4.196 8.859 1.00 0.00 H new ATOM 671 N GLN A 44 12.622 -1.476 6.803 1.00 0.00 N ATOM 672 CA GLN A 44 12.466 -0.150 6.211 1.00 0.00 C ATOM 673 C GLN A 44 13.821 0.537 6.029 1.00 0.00 C ATOM 674 O GLN A 44 13.934 1.753 6.190 1.00 0.00 O ATOM 675 CB GLN A 44 11.560 0.712 7.096 1.00 0.00 C ATOM 676 CG GLN A 44 11.025 1.950 6.398 1.00 0.00 C ATOM 677 CD GLN A 44 10.163 2.807 7.306 1.00 0.00 C ATOM 678 OE1 GLN A 44 10.660 3.705 7.986 1.00 0.00 O ATOM 679 NE2 GLN A 44 8.865 2.530 7.323 1.00 0.00 N ATOM 0 H GLN A 44 13.583 -1.720 7.044 1.00 0.00 H new ATOM 0 HA GLN A 44 12.010 -0.268 5.228 1.00 0.00 H new ATOM 0 HB2 GLN A 44 10.720 0.108 7.439 1.00 0.00 H new ATOM 0 HB3 GLN A 44 12.116 1.017 7.982 1.00 0.00 H new ATOM 0 HG2 GLN A 44 11.861 2.545 6.030 1.00 0.00 H new ATOM 0 HG3 GLN A 44 10.441 1.648 5.528 1.00 0.00 H new ATOM 0 HE21 GLN A 44 8.497 1.776 6.743 1.00 0.00 H new ATOM 0 HE22 GLN A 44 8.236 3.071 7.916 1.00 0.00 H new ATOM 688 N THR A 45 14.845 -0.241 5.680 1.00 0.00 N ATOM 689 CA THR A 45 16.187 0.306 5.487 1.00 0.00 C ATOM 690 C THR A 45 16.963 -0.474 4.431 1.00 0.00 C ATOM 691 O THR A 45 16.769 -1.677 4.262 1.00 0.00 O ATOM 692 CB THR A 45 16.993 0.299 6.800 1.00 0.00 C ATOM 693 OG1 THR A 45 17.063 -1.030 7.327 1.00 0.00 O ATOM 694 CG2 THR A 45 16.363 1.226 7.829 1.00 0.00 C ATOM 0 H THR A 45 14.772 -1.247 5.526 1.00 0.00 H new ATOM 0 HA THR A 45 16.055 1.334 5.150 1.00 0.00 H new ATOM 0 HB THR A 45 18.000 0.656 6.582 1.00 0.00 H new ATOM 0 HG1 THR A 45 17.579 -1.025 8.160 1.00 0.00 H new ATOM 0 HG21 THR A 45 16.950 1.203 8.747 1.00 0.00 H new ATOM 0 HG22 THR A 45 16.341 2.243 7.437 1.00 0.00 H new ATOM 0 HG23 THR A 45 15.346 0.897 8.041 1.00 0.00 H new ATOM 702 N LEU A 46 17.845 0.227 3.723 1.00 0.00 N ATOM 703 CA LEU A 46 18.657 -0.387 2.679 1.00 0.00 C ATOM 704 C LEU A 46 20.125 -0.403 3.104 1.00 0.00 C ATOM 705 O LEU A 46 20.694 0.634 3.439 1.00 0.00 O ATOM 706 CB LEU A 46 18.486 0.368 1.355 1.00 0.00 C ATOM 707 CG LEU A 46 17.414 -0.197 0.415 1.00 0.00 C ATOM 708 CD1 LEU A 46 16.104 -0.419 1.158 1.00 0.00 C ATOM 709 CD2 LEU A 46 17.205 0.727 -0.777 1.00 0.00 C ATOM 0 H LEU A 46 18.015 1.224 3.855 1.00 0.00 H new ATOM 0 HA LEU A 46 18.325 -1.414 2.530 1.00 0.00 H new ATOM 0 HB2 LEU A 46 18.241 1.407 1.577 1.00 0.00 H new ATOM 0 HB3 LEU A 46 19.442 0.371 0.831 1.00 0.00 H new ATOM 0 HG LEU A 46 17.761 -1.162 0.045 1.00 0.00 H new ATOM 0 HD11 LEU A 46 15.359 -0.820 0.471 1.00 0.00 H new ATOM 0 HD12 LEU A 46 16.263 -1.125 1.973 1.00 0.00 H new ATOM 0 HD13 LEU A 46 15.750 0.529 1.563 1.00 0.00 H new ATOM 0 HD21 LEU A 46 16.441 0.309 -1.432 1.00 0.00 H new ATOM 0 HD22 LEU A 46 16.884 1.708 -0.425 1.00 0.00 H new ATOM 0 HD23 LEU A 46 18.140 0.827 -1.328 1.00 0.00 H new ATOM 721 N THR A 47 20.731 -1.589 3.101 1.00 0.00 N ATOM 722 CA THR A 47 22.131 -1.736 3.490 1.00 0.00 C ATOM 723 C THR A 47 22.941 -2.369 2.372 1.00 0.00 C ATOM 724 O THR A 47 22.425 -3.198 1.622 1.00 0.00 O ATOM 725 CB THR A 47 22.282 -2.621 4.742 1.00 0.00 C ATOM 726 OG1 THR A 47 21.339 -2.224 5.745 1.00 0.00 O ATOM 727 CG2 THR A 47 23.693 -2.531 5.304 1.00 0.00 C ATOM 0 H THR A 47 20.274 -2.461 2.834 1.00 0.00 H new ATOM 0 HA THR A 47 22.500 -0.733 3.704 1.00 0.00 H new ATOM 0 HB THR A 47 22.088 -3.653 4.451 1.00 0.00 H new ATOM 0 HG1 THR A 47 21.659 -1.412 6.192 1.00 0.00 H new ATOM 0 HG21 THR A 47 23.774 -3.165 6.187 1.00 0.00 H new ATOM 0 HG22 THR A 47 24.407 -2.865 4.551 1.00 0.00 H new ATOM 0 HG23 THR A 47 23.911 -1.498 5.577 1.00 0.00 H new ATOM 735 N CYS A 48 24.208 -1.984 2.255 1.00 0.00 N ATOM 736 CA CYS A 48 25.056 -2.565 1.232 1.00 0.00 C ATOM 737 C CYS A 48 25.679 -3.831 1.795 1.00 0.00 C ATOM 738 O CYS A 48 26.405 -3.803 2.788 1.00 0.00 O ATOM 739 CB CYS A 48 26.125 -1.580 0.766 1.00 0.00 C ATOM 740 SG CYS A 48 27.180 -2.227 -0.566 1.00 0.00 S ATOM 0 H CYS A 48 24.659 -1.286 2.846 1.00 0.00 H new ATOM 0 HA CYS A 48 24.457 -2.807 0.354 1.00 0.00 H new ATOM 0 HB2 CYS A 48 25.640 -0.666 0.423 1.00 0.00 H new ATOM 0 HB3 CYS A 48 26.752 -1.308 1.615 1.00 0.00 H new ATOM 745 N ASN A 49 25.372 -4.939 1.144 1.00 0.00 N ATOM 746 CA ASN A 49 25.920 -6.227 1.533 1.00 0.00 C ATOM 747 C ASN A 49 27.083 -6.593 0.612 1.00 0.00 C ATOM 748 O ASN A 49 27.432 -5.826 -0.286 1.00 0.00 O ATOM 749 CB ASN A 49 24.829 -7.294 1.471 1.00 0.00 C ATOM 750 CG ASN A 49 24.039 -7.220 0.185 1.00 0.00 C ATOM 751 OD1 ASN A 49 23.162 -6.230 0.091 1.00 0.00 O flip ATOM 752 ND2 ASN A 49 24.221 -8.033 -0.718 1.00 0.00 N flip ATOM 0 H ASN A 49 24.744 -4.973 0.341 1.00 0.00 H new ATOM 0 HA ASN A 49 26.291 -6.169 2.556 1.00 0.00 H new ATOM 0 HB2 ASN A 49 25.282 -8.281 1.562 1.00 0.00 H new ATOM 0 HB3 ASN A 49 24.154 -7.173 2.319 1.00 0.00 H new ATOM 0 HD21 ASN A 49 24.907 -8.779 -0.602 1.00 0.00 H new ATOM 0 HD22 ASN A 49 23.686 -7.962 -1.584 1.00 0.00 H new ATOM 759 N SER A 50 27.682 -7.759 0.830 1.00 0.00 N ATOM 760 CA SER A 50 28.795 -8.205 -0.006 1.00 0.00 C ATOM 761 C SER A 50 28.249 -8.960 -1.213 1.00 0.00 C ATOM 762 O SER A 50 28.486 -10.156 -1.391 1.00 0.00 O ATOM 763 CB SER A 50 29.751 -9.092 0.796 1.00 0.00 C ATOM 764 OG SER A 50 30.860 -9.490 0.009 1.00 0.00 O ATOM 0 H SER A 50 27.420 -8.409 1.571 1.00 0.00 H new ATOM 0 HA SER A 50 29.355 -7.335 -0.350 1.00 0.00 H new ATOM 0 HB2 SER A 50 30.101 -8.552 1.676 1.00 0.00 H new ATOM 0 HB3 SER A 50 29.220 -9.974 1.154 1.00 0.00 H new ATOM 0 HG SER A 50 30.547 -10.024 -0.751 1.00 0.00 H new ATOM 770 N ASP A 51 27.510 -8.225 -2.034 1.00 0.00 N ATOM 771 CA ASP A 51 26.884 -8.753 -3.240 1.00 0.00 C ATOM 772 C ASP A 51 26.759 -7.657 -4.290 1.00 0.00 C ATOM 773 O ASP A 51 26.227 -7.877 -5.378 1.00 0.00 O ATOM 774 CB ASP A 51 25.493 -9.287 -2.913 1.00 0.00 C ATOM 775 CG ASP A 51 24.946 -10.187 -4.003 1.00 0.00 C ATOM 776 OD1 ASP A 51 24.349 -9.660 -4.964 1.00 0.00 O ATOM 777 OD2 ASP A 51 25.115 -11.420 -3.895 1.00 0.00 O ATOM 0 H ASP A 51 27.326 -7.234 -1.880 1.00 0.00 H new ATOM 0 HA ASP A 51 27.506 -9.559 -3.628 1.00 0.00 H new ATOM 0 HB2 ASP A 51 25.531 -9.840 -1.975 1.00 0.00 H new ATOM 0 HB3 ASP A 51 24.812 -8.449 -2.762 1.00 0.00 H new ATOM 782 N GLY A 52 27.263 -6.476 -3.950 1.00 0.00 N ATOM 783 CA GLY A 52 27.173 -5.349 -4.860 1.00 0.00 C ATOM 784 C GLY A 52 25.736 -4.999 -5.191 1.00 0.00 C ATOM 785 O GLY A 52 25.444 -4.306 -6.165 1.00 0.00 O ATOM 0 H GLY A 52 27.730 -6.279 -3.065 1.00 0.00 H new ATOM 0 HA2 GLY A 52 27.663 -4.483 -4.415 1.00 0.00 H new ATOM 0 HA3 GLY A 52 27.710 -5.582 -5.779 1.00 0.00 H new ATOM 789 N GLU A 53 24.853 -5.510 -4.343 1.00 0.00 N ATOM 790 CA GLU A 53 23.426 -5.245 -4.472 1.00 0.00 C ATOM 791 C GLU A 53 22.849 -4.810 -3.133 1.00 0.00 C ATOM 792 O GLU A 53 23.490 -4.962 -2.095 1.00 0.00 O ATOM 793 CB GLU A 53 22.685 -6.488 -4.979 1.00 0.00 C ATOM 794 CG GLU A 53 22.242 -7.433 -3.872 1.00 0.00 C ATOM 795 CD GLU A 53 21.338 -8.541 -4.377 1.00 0.00 C ATOM 796 OE1 GLU A 53 20.155 -8.259 -4.660 1.00 0.00 O ATOM 797 OE2 GLU A 53 21.812 -9.690 -4.489 1.00 0.00 O ATOM 0 H GLU A 53 25.100 -6.111 -3.557 1.00 0.00 H new ATOM 0 HA GLU A 53 23.293 -4.442 -5.197 1.00 0.00 H new ATOM 0 HB2 GLU A 53 21.809 -6.172 -5.546 1.00 0.00 H new ATOM 0 HB3 GLU A 53 23.333 -7.029 -5.669 1.00 0.00 H new ATOM 0 HG2 GLU A 53 23.121 -7.873 -3.402 1.00 0.00 H new ATOM 0 HG3 GLU A 53 21.719 -6.865 -3.102 1.00 0.00 H new ATOM 804 N TRP A 54 21.642 -4.261 -3.160 1.00 0.00 N ATOM 805 CA TRP A 54 20.983 -3.821 -1.947 1.00 0.00 C ATOM 806 C TRP A 54 20.111 -4.927 -1.390 1.00 0.00 C ATOM 807 O TRP A 54 19.100 -5.312 -1.978 1.00 0.00 O ATOM 808 CB TRP A 54 20.137 -2.587 -2.236 1.00 0.00 C ATOM 809 CG TRP A 54 20.953 -1.377 -2.570 1.00 0.00 C ATOM 810 CD1 TRP A 54 21.068 -0.774 -3.790 1.00 0.00 C ATOM 811 CD2 TRP A 54 21.779 -0.630 -1.674 1.00 0.00 C ATOM 812 NE1 TRP A 54 21.913 0.306 -3.704 1.00 0.00 N ATOM 813 CE2 TRP A 54 22.363 0.415 -2.415 1.00 0.00 C ATOM 814 CE3 TRP A 54 22.079 -0.744 -0.317 1.00 0.00 C ATOM 815 CZ2 TRP A 54 23.230 1.340 -1.838 1.00 0.00 C ATOM 816 CZ3 TRP A 54 22.940 0.173 0.254 1.00 0.00 C ATOM 817 CH2 TRP A 54 23.506 1.203 -0.506 1.00 0.00 C ATOM 0 H TRP A 54 21.102 -4.111 -4.012 1.00 0.00 H new ATOM 0 HA TRP A 54 21.742 -3.569 -1.207 1.00 0.00 H new ATOM 0 HB2 TRP A 54 19.463 -2.803 -3.065 1.00 0.00 H new ATOM 0 HB3 TRP A 54 19.515 -2.369 -1.368 1.00 0.00 H new ATOM 0 HD1 TRP A 54 20.568 -1.099 -4.691 1.00 0.00 H new ATOM 0 HE1 TRP A 54 22.164 0.926 -4.474 1.00 0.00 H new ATOM 0 HE3 TRP A 54 21.646 -1.535 0.277 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 23.668 2.136 -2.421 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 23.180 0.094 1.304 1.00 0.00 H new ATOM 0 HH2 TRP A 54 24.175 1.905 -0.030 1.00 0.00 H new ATOM 828 N VAL A 55 20.531 -5.429 -0.237 1.00 0.00 N ATOM 829 CA VAL A 55 19.828 -6.496 0.447 1.00 0.00 C ATOM 830 C VAL A 55 18.949 -5.879 1.521 1.00 0.00 C ATOM 831 O VAL A 55 19.362 -4.916 2.168 1.00 0.00 O ATOM 832 CB VAL A 55 20.815 -7.494 1.088 1.00 0.00 C ATOM 833 CG1 VAL A 55 20.255 -8.072 2.375 1.00 0.00 C ATOM 834 CG2 VAL A 55 21.161 -8.603 0.110 1.00 0.00 C ATOM 0 H VAL A 55 21.369 -5.106 0.247 1.00 0.00 H new ATOM 0 HA VAL A 55 19.223 -7.045 -0.274 1.00 0.00 H new ATOM 0 HB VAL A 55 21.727 -6.951 1.335 1.00 0.00 H new ATOM 0 HG11 VAL A 55 20.973 -8.771 2.803 1.00 0.00 H new ATOM 0 HG12 VAL A 55 20.067 -7.266 3.084 1.00 0.00 H new ATOM 0 HG13 VAL A 55 19.322 -8.594 2.164 1.00 0.00 H new ATOM 0 HG21 VAL A 55 21.858 -9.297 0.579 1.00 0.00 H new ATOM 0 HG22 VAL A 55 20.253 -9.136 -0.172 1.00 0.00 H new ATOM 0 HG23 VAL A 55 21.621 -8.173 -0.780 1.00 0.00 H new ATOM 844 N TYR A 56 17.759 -6.427 1.733 1.00 0.00 N ATOM 845 CA TYR A 56 16.883 -5.897 2.777 1.00 0.00 C ATOM 846 C TYR A 56 15.511 -6.556 2.767 1.00 0.00 C ATOM 847 O TYR A 56 14.580 -6.094 3.427 1.00 0.00 O ATOM 848 CB TYR A 56 16.717 -4.382 2.620 1.00 0.00 C ATOM 849 CG TYR A 56 16.282 -3.963 1.228 1.00 0.00 C ATOM 850 CD1 TYR A 56 14.939 -3.947 0.877 1.00 0.00 C ATOM 851 CD2 TYR A 56 17.212 -3.589 0.266 1.00 0.00 C ATOM 852 CE1 TYR A 56 14.534 -3.571 -0.390 1.00 0.00 C ATOM 853 CE2 TYR A 56 16.816 -3.212 -1.004 1.00 0.00 C ATOM 854 CZ TYR A 56 15.476 -3.205 -1.325 1.00 0.00 C ATOM 855 OH TYR A 56 15.076 -2.829 -2.588 1.00 0.00 O ATOM 0 H TYR A 56 17.382 -7.219 1.212 1.00 0.00 H new ATOM 0 HA TYR A 56 17.359 -6.121 3.731 1.00 0.00 H new ATOM 0 HB2 TYR A 56 15.983 -4.028 3.344 1.00 0.00 H new ATOM 0 HB3 TYR A 56 17.662 -3.894 2.859 1.00 0.00 H new ATOM 0 HD1 TYR A 56 14.197 -4.234 1.607 1.00 0.00 H new ATOM 0 HD2 TYR A 56 18.263 -3.593 0.515 1.00 0.00 H new ATOM 0 HE1 TYR A 56 13.485 -3.564 -0.645 1.00 0.00 H new ATOM 0 HE2 TYR A 56 17.552 -2.925 -1.740 1.00 0.00 H new ATOM 0 HH TYR A 56 15.863 -2.600 -3.126 1.00 0.00 H new ATOM 865 N ASN A 57 15.405 -7.643 2.012 1.00 0.00 N ATOM 866 CA ASN A 57 14.157 -8.387 1.897 1.00 0.00 C ATOM 867 C ASN A 57 13.043 -7.483 1.389 1.00 0.00 C ATOM 868 O ASN A 57 13.266 -6.306 1.115 1.00 0.00 O ATOM 869 CB ASN A 57 13.767 -8.991 3.249 1.00 0.00 C ATOM 870 CG ASN A 57 14.755 -10.038 3.727 1.00 0.00 C ATOM 871 OD1 ASN A 57 15.354 -10.760 2.787 1.00 0.00 O flip ATOM 872 ND2 ASN A 57 14.975 -10.197 4.928 1.00 0.00 N flip ATOM 0 H ASN A 57 16.175 -8.031 1.467 1.00 0.00 H new ATOM 0 HA ASN A 57 14.306 -9.196 1.182 1.00 0.00 H new ATOM 0 HB2 ASN A 57 13.698 -8.196 3.992 1.00 0.00 H new ATOM 0 HB3 ASN A 57 12.777 -9.440 3.170 1.00 0.00 H new ATOM 0 HD21 ASN A 57 14.492 -9.619 5.616 1.00 0.00 H new ATOM 0 HD22 ASN A 57 15.641 -10.906 5.235 1.00 0.00 H new ATOM 879 N THR A 58 11.844 -8.033 1.254 1.00 0.00 N ATOM 880 CA THR A 58 10.711 -7.252 0.789 1.00 0.00 C ATOM 881 C THR A 58 9.812 -6.876 1.953 1.00 0.00 C ATOM 882 O THR A 58 8.865 -7.592 2.276 1.00 0.00 O ATOM 883 CB THR A 58 9.873 -8.002 -0.260 1.00 0.00 C ATOM 884 OG1 THR A 58 10.704 -8.411 -1.354 1.00 0.00 O ATOM 885 CG2 THR A 58 8.748 -7.114 -0.773 1.00 0.00 C ATOM 0 H THR A 58 11.634 -9.010 1.459 1.00 0.00 H new ATOM 0 HA THR A 58 11.122 -6.357 0.323 1.00 0.00 H new ATOM 0 HB THR A 58 9.440 -8.885 0.210 1.00 0.00 H new ATOM 0 HG1 THR A 58 10.162 -8.889 -2.016 1.00 0.00 H new ATOM 0 HG21 THR A 58 8.164 -7.659 -1.515 1.00 0.00 H new ATOM 0 HG22 THR A 58 8.103 -6.827 0.058 1.00 0.00 H new ATOM 0 HG23 THR A 58 9.170 -6.219 -1.230 1.00 0.00 H new ATOM 893 N PHE A 59 10.123 -5.757 2.589 1.00 0.00 N ATOM 894 CA PHE A 59 9.336 -5.289 3.715 1.00 0.00 C ATOM 895 C PHE A 59 7.990 -4.746 3.234 1.00 0.00 C ATOM 896 O PHE A 59 7.317 -5.387 2.427 1.00 0.00 O ATOM 897 CB PHE A 59 10.121 -4.240 4.509 1.00 0.00 C ATOM 898 CG PHE A 59 10.845 -3.232 3.664 1.00 0.00 C ATOM 899 CD1 PHE A 59 10.152 -2.249 2.980 1.00 0.00 C ATOM 900 CD2 PHE A 59 12.226 -3.263 3.566 1.00 0.00 C ATOM 901 CE1 PHE A 59 10.822 -1.316 2.213 1.00 0.00 C ATOM 902 CE2 PHE A 59 12.900 -2.334 2.799 1.00 0.00 C ATOM 903 CZ PHE A 59 12.198 -1.359 2.121 1.00 0.00 C ATOM 0 H PHE A 59 10.912 -5.159 2.344 1.00 0.00 H new ATOM 0 HA PHE A 59 9.133 -6.126 4.383 1.00 0.00 H new ATOM 0 HB2 PHE A 59 9.433 -3.714 5.170 1.00 0.00 H new ATOM 0 HB3 PHE A 59 10.845 -4.750 5.144 1.00 0.00 H new ATOM 0 HD1 PHE A 59 9.075 -2.211 3.047 1.00 0.00 H new ATOM 0 HD2 PHE A 59 12.782 -4.023 4.096 1.00 0.00 H new ATOM 0 HE1 PHE A 59 10.269 -0.553 1.685 1.00 0.00 H new ATOM 0 HE2 PHE A 59 13.977 -2.370 2.730 1.00 0.00 H new ATOM 0 HZ PHE A 59 12.724 -0.632 1.520 1.00 0.00 H new ATOM 913 N CYS A 60 7.596 -3.575 3.728 1.00 0.00 N ATOM 914 CA CYS A 60 6.324 -2.967 3.336 1.00 0.00 C ATOM 915 C CYS A 60 6.151 -3.014 1.821 1.00 0.00 C ATOM 916 O CYS A 60 7.133 -3.127 1.090 1.00 0.00 O ATOM 917 CB CYS A 60 6.253 -1.516 3.826 1.00 0.00 C ATOM 918 SG CYS A 60 7.516 -0.413 3.109 1.00 0.00 S ATOM 0 H CYS A 60 8.136 -3.028 4.399 1.00 0.00 H new ATOM 0 HA CYS A 60 5.517 -3.536 3.797 1.00 0.00 H new ATOM 0 HB2 CYS A 60 5.266 -1.116 3.595 1.00 0.00 H new ATOM 0 HB3 CYS A 60 6.355 -1.507 4.911 1.00 0.00 H new ATOM 923 N ILE A 61 4.905 -2.952 1.351 1.00 0.00 N ATOM 924 CA ILE A 61 4.640 -2.975 -0.086 1.00 0.00 C ATOM 925 C ILE A 61 3.431 -2.116 -0.458 1.00 0.00 C ATOM 926 O ILE A 61 3.249 -1.027 0.083 1.00 0.00 O ATOM 927 CB ILE A 61 4.443 -4.407 -0.628 1.00 0.00 C ATOM 928 CG1 ILE A 61 3.265 -5.092 0.059 1.00 0.00 C ATOM 929 CG2 ILE A 61 5.712 -5.226 -0.457 1.00 0.00 C ATOM 930 CD1 ILE A 61 2.886 -6.411 -0.575 1.00 0.00 C ATOM 0 H ILE A 61 4.073 -2.886 1.937 1.00 0.00 H new ATOM 0 HA ILE A 61 5.529 -2.553 -0.555 1.00 0.00 H new ATOM 0 HB ILE A 61 4.221 -4.337 -1.693 1.00 0.00 H new ATOM 0 HG12 ILE A 61 3.512 -5.259 1.107 1.00 0.00 H new ATOM 0 HG13 ILE A 61 2.403 -4.425 0.037 1.00 0.00 H new ATOM 0 HG21 ILE A 61 5.551 -6.232 -0.845 1.00 0.00 H new ATOM 0 HG22 ILE A 61 6.527 -4.752 -1.004 1.00 0.00 H new ATOM 0 HG23 ILE A 61 5.969 -5.282 0.601 1.00 0.00 H new ATOM 0 HD11 ILE A 61 2.042 -6.844 -0.038 1.00 0.00 H new ATOM 0 HD12 ILE A 61 2.608 -6.248 -1.616 1.00 0.00 H new ATOM 0 HD13 ILE A 61 3.734 -7.094 -0.529 1.00 0.00 H new ATOM 942 N TYR A 62 2.614 -2.610 -1.392 1.00 0.00 N ATOM 943 CA TYR A 62 1.436 -1.882 -1.865 1.00 0.00 C ATOM 944 C TYR A 62 0.738 -2.638 -2.994 1.00 0.00 C ATOM 945 O TYR A 62 1.325 -2.932 -4.035 1.00 0.00 O ATOM 946 CB TYR A 62 1.833 -0.477 -2.325 1.00 0.00 C ATOM 947 CG TYR A 62 0.930 0.607 -1.792 1.00 0.00 C ATOM 948 CD1 TYR A 62 -0.343 0.811 -2.310 1.00 0.00 C ATOM 949 CD2 TYR A 62 1.355 1.421 -0.755 1.00 0.00 C ATOM 950 CE1 TYR A 62 -1.164 1.803 -1.805 1.00 0.00 C ATOM 951 CE2 TYR A 62 0.543 2.408 -0.244 1.00 0.00 C ATOM 952 CZ TYR A 62 -0.714 2.596 -0.769 1.00 0.00 C ATOM 953 OH TYR A 62 -1.522 3.576 -0.248 1.00 0.00 O ATOM 0 H TYR A 62 2.749 -3.518 -1.838 1.00 0.00 H new ATOM 0 HA TYR A 62 0.733 -1.796 -1.036 1.00 0.00 H new ATOM 0 HB2 TYR A 62 2.856 -0.275 -2.008 1.00 0.00 H new ATOM 0 HB3 TYR A 62 1.824 -0.444 -3.414 1.00 0.00 H new ATOM 0 HD1 TYR A 62 -0.696 0.187 -3.118 1.00 0.00 H new ATOM 0 HD2 TYR A 62 2.342 1.279 -0.340 1.00 0.00 H new ATOM 0 HE1 TYR A 62 -2.150 1.956 -2.218 1.00 0.00 H new ATOM 0 HE2 TYR A 62 0.892 3.032 0.566 1.00 0.00 H new ATOM 0 HH TYR A 62 -2.460 3.308 -0.338 1.00 0.00 H new ATOM 963 N LYS A 63 -0.535 -2.939 -2.748 1.00 0.00 N ATOM 964 CA LYS A 63 -1.397 -3.662 -3.682 1.00 0.00 C ATOM 965 C LYS A 63 -2.844 -3.440 -3.262 1.00 0.00 C ATOM 966 O LYS A 63 -3.266 -3.916 -2.209 1.00 0.00 O ATOM 967 CB LYS A 63 -1.069 -5.161 -3.702 1.00 0.00 C ATOM 968 CG LYS A 63 -0.564 -5.709 -2.377 1.00 0.00 C ATOM 969 CD LYS A 63 -0.948 -7.168 -2.191 1.00 0.00 C ATOM 970 CE LYS A 63 0.053 -7.901 -1.320 1.00 0.00 C ATOM 971 NZ LYS A 63 -0.310 -9.334 -1.138 1.00 0.00 N ATOM 0 H LYS A 63 -1.005 -2.683 -1.880 1.00 0.00 H new ATOM 0 HA LYS A 63 -1.233 -3.285 -4.691 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -1.963 -5.713 -3.993 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -0.317 -5.346 -4.469 1.00 0.00 H new ATOM 0 HG2 LYS A 63 0.520 -5.609 -2.331 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -0.974 -5.117 -1.558 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -1.938 -7.230 -1.739 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -1.010 -7.655 -3.164 1.00 0.00 H new ATOM 0 HE2 LYS A 63 1.044 -7.832 -1.770 1.00 0.00 H new ATOM 0 HE3 LYS A 63 0.110 -7.415 -0.346 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 0.400 -9.798 -0.536 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -1.244 -9.401 -0.686 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -0.340 -9.805 -2.065 1.00 0.00 H new ATOM 985 N ARG A 64 -3.615 -2.729 -4.083 1.00 0.00 N ATOM 986 CA ARG A 64 -4.999 -2.410 -3.754 1.00 0.00 C ATOM 987 C ARG A 64 -5.967 -3.361 -4.447 1.00 0.00 C ATOM 988 O ARG A 64 -5.582 -4.446 -4.872 1.00 0.00 O ATOM 989 CB ARG A 64 -5.308 -0.966 -4.154 1.00 0.00 C ATOM 990 CG ARG A 64 -4.789 -0.590 -5.531 1.00 0.00 C ATOM 991 CD ARG A 64 -3.358 -0.077 -5.468 1.00 0.00 C ATOM 992 NE ARG A 64 -3.286 1.278 -4.931 1.00 0.00 N ATOM 993 CZ ARG A 64 -2.247 2.089 -5.109 1.00 0.00 C ATOM 994 NH1 ARG A 64 -1.193 1.678 -5.802 1.00 0.00 N ATOM 995 NH2 ARG A 64 -2.261 3.311 -4.594 1.00 0.00 N ATOM 0 H ARG A 64 -3.302 -2.363 -4.982 1.00 0.00 H new ATOM 0 HA ARG A 64 -5.127 -2.525 -2.678 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -6.387 -0.814 -4.128 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -4.873 -0.293 -3.415 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -4.836 -1.458 -6.188 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -5.432 0.175 -5.967 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -2.760 -0.745 -4.848 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -2.922 -0.095 -6.467 1.00 0.00 H new ATOM 0 HE ARG A 64 -4.078 1.623 -4.388 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -1.179 0.739 -6.199 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -0.397 2.301 -5.938 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -3.069 3.630 -4.060 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -1.463 3.932 -4.732 1.00 0.00 H new ATOM 1009 N CYS A 65 -7.223 -2.937 -4.576 1.00 0.00 N ATOM 1010 CA CYS A 65 -8.247 -3.761 -5.200 1.00 0.00 C ATOM 1011 C CYS A 65 -8.993 -2.974 -6.260 1.00 0.00 C ATOM 1012 O CYS A 65 -8.964 -1.743 -6.267 1.00 0.00 O ATOM 1013 CB CYS A 65 -9.248 -4.240 -4.149 1.00 0.00 C ATOM 1014 SG CYS A 65 -8.500 -4.716 -2.563 1.00 0.00 S ATOM 0 H CYS A 65 -7.552 -2.026 -4.255 1.00 0.00 H new ATOM 0 HA CYS A 65 -7.756 -4.617 -5.663 1.00 0.00 H new ATOM 0 HB2 CYS A 65 -9.976 -3.449 -3.971 1.00 0.00 H new ATOM 0 HB3 CYS A 65 -9.796 -5.093 -4.549 1.00 0.00 H new ATOM 1019 N ARG A 66 -9.658 -3.686 -7.157 1.00 0.00 N ATOM 1020 CA ARG A 66 -10.433 -3.033 -8.195 1.00 0.00 C ATOM 1021 C ARG A 66 -11.531 -2.196 -7.550 1.00 0.00 C ATOM 1022 O ARG A 66 -12.077 -2.562 -6.510 1.00 0.00 O ATOM 1023 CB ARG A 66 -11.041 -4.064 -9.151 1.00 0.00 C ATOM 1024 CG ARG A 66 -11.900 -3.452 -10.246 1.00 0.00 C ATOM 1025 CD ARG A 66 -11.053 -2.707 -11.263 1.00 0.00 C ATOM 1026 NE ARG A 66 -10.149 -3.601 -11.982 1.00 0.00 N ATOM 1027 CZ ARG A 66 -9.267 -3.186 -12.888 1.00 0.00 C ATOM 1028 NH1 ARG A 66 -9.175 -1.897 -13.188 1.00 0.00 N ATOM 1029 NH2 ARG A 66 -8.477 -4.062 -13.495 1.00 0.00 N ATOM 0 H ARG A 66 -9.676 -4.705 -7.186 1.00 0.00 H new ATOM 0 HA ARG A 66 -9.775 -2.386 -8.775 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -10.237 -4.638 -9.611 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -11.646 -4.766 -8.577 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -12.467 -4.237 -10.747 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -12.625 -2.769 -9.803 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -11.704 -2.200 -11.975 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -10.473 -1.936 -10.756 1.00 0.00 H new ATOM 0 HE ARG A 66 -10.196 -4.599 -11.778 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -9.781 -1.221 -12.724 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -8.498 -1.582 -13.883 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -8.546 -5.054 -13.267 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -7.801 -3.744 -14.189 1.00 0.00 H new ATOM 1043 N HIS A 67 -11.841 -1.073 -8.172 1.00 0.00 N ATOM 1044 CA HIS A 67 -12.883 -0.201 -7.660 1.00 0.00 C ATOM 1045 C HIS A 67 -14.237 -0.904 -7.749 1.00 0.00 C ATOM 1046 O HIS A 67 -14.630 -1.352 -8.826 1.00 0.00 O ATOM 1047 CB HIS A 67 -12.918 1.098 -8.463 1.00 0.00 C ATOM 1048 CG HIS A 67 -11.571 1.713 -8.677 1.00 0.00 C ATOM 1049 ND1 HIS A 67 -10.773 1.418 -9.762 1.00 0.00 N ATOM 1050 CD2 HIS A 67 -10.884 2.621 -7.943 1.00 0.00 C ATOM 1051 CE1 HIS A 67 -9.654 2.116 -9.686 1.00 0.00 C ATOM 1052 NE2 HIS A 67 -9.696 2.855 -8.593 1.00 0.00 N ATOM 0 H HIS A 67 -11.390 -0.745 -9.026 1.00 0.00 H new ATOM 0 HA HIS A 67 -12.670 0.033 -6.617 1.00 0.00 H new ATOM 0 HB2 HIS A 67 -13.376 0.902 -9.433 1.00 0.00 H new ATOM 0 HB3 HIS A 67 -13.557 1.815 -7.948 1.00 0.00 H new ATOM 0 HD2 HIS A 67 -11.209 3.076 -7.019 1.00 0.00 H new ATOM 0 HE1 HIS A 67 -8.842 2.087 -10.398 1.00 0.00 H new ATOM 0 HE2 HIS A 67 -8.966 3.495 -8.282 1.00 0.00 H new ATOM 1061 N PRO A 68 -14.974 -1.017 -6.626 1.00 0.00 N ATOM 1062 CA PRO A 68 -16.279 -1.678 -6.623 1.00 0.00 C ATOM 1063 C PRO A 68 -17.251 -0.991 -7.570 1.00 0.00 C ATOM 1064 O PRO A 68 -18.290 -1.552 -7.917 1.00 0.00 O ATOM 1065 CB PRO A 68 -16.753 -1.584 -5.169 1.00 0.00 C ATOM 1066 CG PRO A 68 -15.920 -0.515 -4.544 1.00 0.00 C ATOM 1067 CD PRO A 68 -14.612 -0.497 -5.295 1.00 0.00 C ATOM 0 HA PRO A 68 -16.219 -2.710 -6.970 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -17.813 -1.335 -5.118 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -16.623 -2.535 -4.652 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -16.418 0.452 -4.609 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -15.757 -0.719 -3.486 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -14.198 0.509 -5.356 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -13.862 -1.122 -4.810 1.00 0.00 H new ATOM 1075 N GLY A 69 -16.908 0.214 -7.999 1.00 0.00 N ATOM 1076 CA GLY A 69 -17.773 0.947 -8.898 1.00 0.00 C ATOM 1077 C GLY A 69 -18.792 1.765 -8.140 1.00 0.00 C ATOM 1078 O GLY A 69 -19.110 1.470 -6.989 1.00 0.00 O ATOM 0 H GLY A 69 -16.047 0.697 -7.741 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -17.173 1.604 -9.528 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -18.285 0.250 -9.561 1.00 0.00 H new ATOM 1082 N GLU A 70 -19.284 2.800 -8.799 1.00 0.00 N ATOM 1083 CA GLU A 70 -20.287 3.694 -8.234 1.00 0.00 C ATOM 1084 C GLU A 70 -21.284 2.955 -7.353 1.00 0.00 C ATOM 1085 O GLU A 70 -21.727 1.849 -7.668 1.00 0.00 O ATOM 1086 CB GLU A 70 -21.024 4.434 -9.353 1.00 0.00 C ATOM 1087 CG GLU A 70 -22.051 5.435 -8.851 1.00 0.00 C ATOM 1088 CD GLU A 70 -21.425 6.575 -8.072 1.00 0.00 C ATOM 1089 OE1 GLU A 70 -21.072 7.598 -8.697 1.00 0.00 O ATOM 1090 OE2 GLU A 70 -21.287 6.447 -6.838 1.00 0.00 O ATOM 0 H GLU A 70 -18.999 3.047 -9.747 1.00 0.00 H new ATOM 0 HA GLU A 70 -19.763 4.413 -7.604 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -20.295 4.955 -9.973 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -21.523 3.705 -9.992 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -22.602 5.840 -9.700 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -22.774 4.921 -8.217 1.00 0.00 H new ATOM 1097 N LEU A 71 -21.628 3.594 -6.247 1.00 0.00 N ATOM 1098 CA LEU A 71 -22.606 3.063 -5.314 1.00 0.00 C ATOM 1099 C LEU A 71 -23.930 3.763 -5.590 1.00 0.00 C ATOM 1100 O LEU A 71 -24.118 4.912 -5.191 1.00 0.00 O ATOM 1101 CB LEU A 71 -22.139 3.293 -3.869 1.00 0.00 C ATOM 1102 CG LEU A 71 -23.233 3.204 -2.804 1.00 0.00 C ATOM 1103 CD1 LEU A 71 -23.758 1.783 -2.675 1.00 0.00 C ATOM 1104 CD2 LEU A 71 -22.724 3.710 -1.463 1.00 0.00 C ATOM 0 H LEU A 71 -21.237 4.495 -5.971 1.00 0.00 H new ATOM 0 HA LEU A 71 -22.725 1.987 -5.443 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -21.366 2.561 -3.634 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -21.675 4.277 -3.807 1.00 0.00 H new ATOM 0 HG LEU A 71 -24.059 3.841 -3.121 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -24.534 1.750 -1.911 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -24.174 1.461 -3.629 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -22.942 1.118 -2.392 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -23.519 3.637 -0.721 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -21.874 3.106 -1.145 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -22.413 4.750 -1.561 1.00 0.00 H new ATOM 1116 N ARG A 72 -24.850 3.084 -6.278 1.00 0.00 N ATOM 1117 CA ARG A 72 -26.139 3.688 -6.598 1.00 0.00 C ATOM 1118 C ARG A 72 -26.900 4.030 -5.327 1.00 0.00 C ATOM 1119 O ARG A 72 -27.129 3.190 -4.457 1.00 0.00 O ATOM 1120 CB ARG A 72 -26.968 2.799 -7.525 1.00 0.00 C ATOM 1121 CG ARG A 72 -28.240 3.460 -8.025 1.00 0.00 C ATOM 1122 CD ARG A 72 -28.963 2.582 -9.034 1.00 0.00 C ATOM 1123 NE ARG A 72 -30.019 3.308 -9.734 1.00 0.00 N ATOM 1124 CZ ARG A 72 -30.537 2.916 -10.894 1.00 0.00 C ATOM 1125 NH1 ARG A 72 -30.108 1.803 -11.473 1.00 0.00 N ATOM 1126 NH2 ARG A 72 -31.485 3.638 -11.476 1.00 0.00 N ATOM 0 H ARG A 72 -24.727 2.130 -6.619 1.00 0.00 H new ATOM 0 HA ARG A 72 -25.947 4.615 -7.138 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -26.357 2.512 -8.381 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -27.229 1.882 -6.997 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -28.900 3.667 -7.182 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -27.998 4.419 -8.483 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -28.246 2.197 -9.759 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -29.393 1.721 -8.523 1.00 0.00 H new ATOM 0 HE ARG A 72 -30.379 4.163 -9.310 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -29.379 1.245 -11.028 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -30.507 1.505 -12.363 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -31.817 4.495 -11.034 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -31.882 3.336 -12.366 1.00 0.00 H new ATOM 1140 N ASN A 73 -27.266 5.309 -5.263 1.00 0.00 N ATOM 1141 CA ASN A 73 -27.969 5.897 -4.131 1.00 0.00 C ATOM 1142 C ASN A 73 -26.970 6.180 -3.020 1.00 0.00 C ATOM 1143 O ASN A 73 -27.362 6.346 -1.867 1.00 0.00 O ATOM 1144 CB ASN A 73 -29.110 5.001 -3.638 1.00 0.00 C ATOM 1145 CG ASN A 73 -30.198 4.817 -4.679 1.00 0.00 C ATOM 1146 OD1 ASN A 73 -30.440 5.853 -5.475 1.00 0.00 O flip ATOM 1147 ND2 ASN A 73 -30.818 3.757 -4.764 1.00 0.00 N flip ATOM 0 H ASN A 73 -27.077 5.975 -6.012 1.00 0.00 H new ATOM 0 HA ASN A 73 -28.429 6.832 -4.452 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -28.708 4.026 -3.361 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -29.544 5.434 -2.737 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -30.600 2.986 -4.132 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -31.550 3.649 -5.466 1.00 0.00 H new ATOM 1154 N GLY A 74 -25.682 6.233 -3.350 1.00 0.00 N ATOM 1155 CA GLY A 74 -24.708 6.516 -2.316 1.00 0.00 C ATOM 1156 C GLY A 74 -23.409 7.112 -2.823 1.00 0.00 C ATOM 1157 O GLY A 74 -23.331 7.616 -3.943 1.00 0.00 O ATOM 0 H GLY A 74 -25.305 6.089 -4.287 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -25.151 7.203 -1.595 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -24.485 5.593 -1.781 1.00 0.00 H new ATOM 1161 N GLN A 75 -22.390 7.045 -1.970 1.00 0.00 N ATOM 1162 CA GLN A 75 -21.077 7.588 -2.302 1.00 0.00 C ATOM 1163 C GLN A 75 -19.958 6.771 -1.656 1.00 0.00 C ATOM 1164 O GLN A 75 -19.455 7.124 -0.589 1.00 0.00 O ATOM 1165 CB GLN A 75 -20.977 9.055 -1.867 1.00 0.00 C ATOM 1166 CG GLN A 75 -21.321 9.285 -0.403 1.00 0.00 C ATOM 1167 CD GLN A 75 -21.014 10.698 0.058 1.00 0.00 C ATOM 1168 OE1 GLN A 75 -21.152 11.662 -0.845 1.00 0.00 O flip ATOM 1169 NE2 GLN A 75 -20.662 10.919 1.217 1.00 0.00 N flip ATOM 0 H GLN A 75 -22.449 6.620 -1.045 1.00 0.00 H new ATOM 0 HA GLN A 75 -20.958 7.530 -3.384 1.00 0.00 H new ATOM 0 HB2 GLN A 75 -19.964 9.411 -2.053 1.00 0.00 H new ATOM 0 HB3 GLN A 75 -21.644 9.654 -2.486 1.00 0.00 H new ATOM 0 HG2 GLN A 75 -22.380 9.079 -0.246 1.00 0.00 H new ATOM 0 HG3 GLN A 75 -20.764 8.578 0.212 1.00 0.00 H new ATOM 0 HE21 GLN A 75 -20.569 10.147 1.878 1.00 0.00 H new ATOM 0 HE22 GLN A 75 -20.463 11.874 1.516 1.00 0.00 H new ATOM 1178 N VAL A 76 -19.586 5.666 -2.303 1.00 0.00 N ATOM 1179 CA VAL A 76 -18.516 4.813 -1.789 1.00 0.00 C ATOM 1180 C VAL A 76 -17.320 5.659 -1.352 1.00 0.00 C ATOM 1181 O VAL A 76 -16.759 6.408 -2.154 1.00 0.00 O ATOM 1182 CB VAL A 76 -18.070 3.756 -2.831 1.00 0.00 C ATOM 1183 CG1 VAL A 76 -18.517 4.153 -4.224 1.00 0.00 C ATOM 1184 CG2 VAL A 76 -16.565 3.526 -2.787 1.00 0.00 C ATOM 0 H VAL A 76 -20.005 5.344 -3.175 1.00 0.00 H new ATOM 0 HA VAL A 76 -18.912 4.280 -0.924 1.00 0.00 H new ATOM 0 HB VAL A 76 -18.552 2.813 -2.572 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -18.193 3.397 -4.939 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -19.604 4.234 -4.248 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -18.076 5.114 -4.488 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -16.289 2.779 -3.531 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -16.048 4.461 -3.002 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -16.280 3.173 -1.796 1.00 0.00 H new ATOM 1194 N GLU A 77 -16.937 5.551 -0.086 1.00 0.00 N ATOM 1195 CA GLU A 77 -15.815 6.325 0.432 1.00 0.00 C ATOM 1196 C GLU A 77 -14.481 5.764 -0.051 1.00 0.00 C ATOM 1197 O GLU A 77 -14.143 4.614 0.221 1.00 0.00 O ATOM 1198 CB GLU A 77 -15.846 6.346 1.962 1.00 0.00 C ATOM 1199 CG GLU A 77 -14.739 7.184 2.579 1.00 0.00 C ATOM 1200 CD GLU A 77 -14.804 8.639 2.157 1.00 0.00 C ATOM 1201 OE1 GLU A 77 -15.481 9.428 2.849 1.00 0.00 O ATOM 1202 OE2 GLU A 77 -14.177 8.990 1.135 1.00 0.00 O ATOM 0 H GLU A 77 -17.383 4.939 0.598 1.00 0.00 H new ATOM 0 HA GLU A 77 -15.912 7.343 0.055 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -16.810 6.732 2.293 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -15.767 5.324 2.333 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -14.804 7.122 3.665 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -13.772 6.770 2.293 1.00 0.00 H new ATOM 1209 N ILE A 78 -13.728 6.590 -0.770 1.00 0.00 N ATOM 1210 CA ILE A 78 -12.422 6.195 -1.283 1.00 0.00 C ATOM 1211 C ILE A 78 -11.345 7.142 -0.766 1.00 0.00 C ATOM 1212 O ILE A 78 -11.185 8.251 -1.275 1.00 0.00 O ATOM 1213 CB ILE A 78 -12.399 6.186 -2.826 1.00 0.00 C ATOM 1214 CG1 ILE A 78 -13.405 5.166 -3.371 1.00 0.00 C ATOM 1215 CG2 ILE A 78 -10.996 5.887 -3.342 1.00 0.00 C ATOM 1216 CD1 ILE A 78 -13.061 3.727 -3.045 1.00 0.00 C ATOM 0 H ILE A 78 -14.002 7.542 -1.011 1.00 0.00 H new ATOM 0 HA ILE A 78 -12.223 5.183 -0.930 1.00 0.00 H new ATOM 0 HB ILE A 78 -12.687 7.176 -3.180 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -14.392 5.393 -2.968 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -13.469 5.277 -4.453 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -11.002 5.885 -4.432 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -10.306 6.651 -2.984 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -10.675 4.910 -2.979 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -13.820 3.067 -3.465 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -12.089 3.480 -3.472 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -13.026 3.597 -1.963 1.00 0.00 H new ATOM 1228 N LYS A 79 -10.613 6.701 0.252 1.00 0.00 N ATOM 1229 CA LYS A 79 -9.565 7.523 0.850 1.00 0.00 C ATOM 1230 C LYS A 79 -8.269 6.749 1.004 1.00 0.00 C ATOM 1231 O LYS A 79 -7.344 7.194 1.684 1.00 0.00 O ATOM 1232 CB LYS A 79 -10.011 8.041 2.218 1.00 0.00 C ATOM 1233 CG LYS A 79 -10.196 6.950 3.267 1.00 0.00 C ATOM 1234 CD LYS A 79 -11.363 6.038 2.948 1.00 0.00 C ATOM 1235 CE LYS A 79 -11.430 4.881 3.926 1.00 0.00 C ATOM 1236 NZ LYS A 79 -10.096 4.255 4.141 1.00 0.00 N ATOM 0 H LYS A 79 -10.725 5.782 0.680 1.00 0.00 H new ATOM 0 HA LYS A 79 -9.387 8.363 0.179 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -9.274 8.758 2.581 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -10.951 8.581 2.101 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -9.284 6.358 3.337 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -10.353 7.410 4.243 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -12.293 6.605 2.985 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -11.263 5.655 1.932 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -11.823 5.234 4.879 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -12.127 4.131 3.553 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -10.210 3.371 4.677 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -9.657 4.048 3.221 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -9.488 4.908 4.675 1.00 0.00 H new ATOM 1250 N THR A 80 -8.204 5.597 0.366 1.00 0.00 N ATOM 1251 CA THR A 80 -7.017 4.766 0.437 1.00 0.00 C ATOM 1252 C THR A 80 -6.805 4.028 -0.864 1.00 0.00 C ATOM 1253 O THR A 80 -6.004 3.095 -0.938 1.00 0.00 O ATOM 1254 CB THR A 80 -7.115 3.746 1.583 1.00 0.00 C ATOM 1255 OG1 THR A 80 -8.309 2.967 1.445 1.00 0.00 O ATOM 1256 CG2 THR A 80 -7.112 4.449 2.932 1.00 0.00 C ATOM 0 H THR A 80 -8.957 5.215 -0.206 1.00 0.00 H new ATOM 0 HA THR A 80 -6.171 5.427 0.625 1.00 0.00 H new ATOM 0 HB THR A 80 -6.247 3.088 1.532 1.00 0.00 H new ATOM 0 HG1 THR A 80 -8.363 2.319 2.178 1.00 0.00 H new ATOM 0 HG21 THR A 80 -7.182 3.708 3.728 1.00 0.00 H new ATOM 0 HG22 THR A 80 -6.188 5.016 3.045 1.00 0.00 H new ATOM 0 HG23 THR A 80 -7.964 5.127 2.991 1.00 0.00 H new ATOM 1264 N ASP A 81 -7.531 4.450 -1.893 1.00 0.00 N ATOM 1265 CA ASP A 81 -7.423 3.811 -3.201 1.00 0.00 C ATOM 1266 C ASP A 81 -7.803 2.344 -3.101 1.00 0.00 C ATOM 1267 O ASP A 81 -7.616 1.572 -4.043 1.00 0.00 O ATOM 1268 CB ASP A 81 -5.995 3.908 -3.708 1.00 0.00 C ATOM 1269 CG ASP A 81 -5.559 5.336 -3.972 1.00 0.00 C ATOM 1270 OD1 ASP A 81 -5.129 6.011 -3.014 1.00 0.00 O ATOM 1271 OD2 ASP A 81 -5.648 5.778 -5.137 1.00 0.00 O ATOM 0 H ASP A 81 -8.194 5.224 -1.849 1.00 0.00 H new ATOM 0 HA ASP A 81 -8.098 4.320 -3.889 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -5.324 3.458 -2.977 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -5.901 3.329 -4.627 1.00 0.00 H new ATOM 1276 N LEU A 82 -8.324 1.976 -1.939 1.00 0.00 N ATOM 1277 CA LEU A 82 -8.730 0.608 -1.669 1.00 0.00 C ATOM 1278 C LEU A 82 -7.506 -0.293 -1.607 1.00 0.00 C ATOM 1279 O LEU A 82 -7.435 -1.310 -2.296 1.00 0.00 O ATOM 1280 CB LEU A 82 -9.677 0.150 -2.764 1.00 0.00 C ATOM 1281 CG LEU A 82 -10.763 1.163 -3.119 1.00 0.00 C ATOM 1282 CD1 LEU A 82 -10.661 1.569 -4.580 1.00 0.00 C ATOM 1283 CD2 LEU A 82 -12.130 0.599 -2.812 1.00 0.00 C ATOM 0 H LEU A 82 -8.476 2.617 -1.160 1.00 0.00 H new ATOM 0 HA LEU A 82 -9.241 0.555 -0.708 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -9.097 -0.073 -3.660 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -10.152 -0.780 -2.452 1.00 0.00 H new ATOM 0 HG LEU A 82 -10.616 2.055 -2.510 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -11.444 2.291 -4.812 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -9.686 2.019 -4.765 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -10.781 0.689 -5.211 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -12.893 1.333 -3.071 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -12.288 -0.309 -3.394 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -12.197 0.365 -1.749 1.00 0.00 H new ATOM 1295 N SER A 83 -6.556 0.077 -0.763 1.00 0.00 N ATOM 1296 CA SER A 83 -5.341 -0.711 -0.587 1.00 0.00 C ATOM 1297 C SER A 83 -5.575 -1.819 0.437 1.00 0.00 C ATOM 1298 O SER A 83 -6.087 -1.560 1.527 1.00 0.00 O ATOM 1299 CB SER A 83 -4.182 0.184 -0.142 1.00 0.00 C ATOM 1300 OG SER A 83 -4.489 0.853 1.068 1.00 0.00 O ATOM 0 H SER A 83 -6.601 0.918 -0.188 1.00 0.00 H new ATOM 0 HA SER A 83 -5.081 -1.165 -1.543 1.00 0.00 H new ATOM 0 HB2 SER A 83 -3.283 -0.419 -0.010 1.00 0.00 H new ATOM 0 HB3 SER A 83 -3.964 0.915 -0.920 1.00 0.00 H new ATOM 0 HG SER A 83 -5.135 0.323 1.580 1.00 0.00 H new ATOM 1306 N PHE A 84 -5.207 -3.051 0.079 1.00 0.00 N ATOM 1307 CA PHE A 84 -5.385 -4.201 0.968 1.00 0.00 C ATOM 1308 C PHE A 84 -5.045 -3.843 2.412 1.00 0.00 C ATOM 1309 O PHE A 84 -4.126 -3.064 2.668 1.00 0.00 O ATOM 1310 CB PHE A 84 -4.519 -5.377 0.508 1.00 0.00 C ATOM 1311 CG PHE A 84 -4.631 -6.590 1.392 1.00 0.00 C ATOM 1312 CD1 PHE A 84 -3.912 -6.674 2.575 1.00 0.00 C ATOM 1313 CD2 PHE A 84 -5.458 -7.645 1.045 1.00 0.00 C ATOM 1314 CE1 PHE A 84 -4.016 -7.781 3.390 1.00 0.00 C ATOM 1315 CE2 PHE A 84 -5.565 -8.757 1.859 1.00 0.00 C ATOM 1316 CZ PHE A 84 -4.844 -8.825 3.033 1.00 0.00 C ATOM 0 H PHE A 84 -4.784 -3.278 -0.821 1.00 0.00 H new ATOM 0 HA PHE A 84 -6.435 -4.492 0.923 1.00 0.00 H new ATOM 0 HB2 PHE A 84 -4.803 -5.651 -0.508 1.00 0.00 H new ATOM 0 HB3 PHE A 84 -3.477 -5.058 0.473 1.00 0.00 H new ATOM 0 HD1 PHE A 84 -3.262 -5.861 2.862 1.00 0.00 H new ATOM 0 HD2 PHE A 84 -6.026 -7.598 0.128 1.00 0.00 H new ATOM 0 HE1 PHE A 84 -3.449 -7.831 4.308 1.00 0.00 H new ATOM 0 HE2 PHE A 84 -6.213 -9.573 1.576 1.00 0.00 H new ATOM 0 HZ PHE A 84 -4.927 -9.693 3.671 1.00 0.00 H new ATOM 1326 N GLY A 85 -5.793 -4.416 3.350 1.00 0.00 N ATOM 1327 CA GLY A 85 -5.556 -4.148 4.756 1.00 0.00 C ATOM 1328 C GLY A 85 -6.160 -2.830 5.190 1.00 0.00 C ATOM 1329 O GLY A 85 -5.508 -2.031 5.862 1.00 0.00 O ATOM 0 H GLY A 85 -6.560 -5.062 3.161 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -5.977 -4.955 5.355 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -4.483 -4.136 4.947 1.00 0.00 H new ATOM 1333 N SER A 86 -7.414 -2.604 4.808 1.00 0.00 N ATOM 1334 CA SER A 86 -8.103 -1.367 5.148 1.00 0.00 C ATOM 1335 C SER A 86 -9.614 -1.530 5.077 1.00 0.00 C ATOM 1336 O SER A 86 -10.166 -2.538 5.519 1.00 0.00 O ATOM 1337 CB SER A 86 -7.646 -0.245 4.210 1.00 0.00 C ATOM 1338 OG SER A 86 -6.254 -0.007 4.335 1.00 0.00 O ATOM 0 H SER A 86 -7.972 -3.262 4.263 1.00 0.00 H new ATOM 0 HA SER A 86 -7.848 -1.109 6.176 1.00 0.00 H new ATOM 0 HB2 SER A 86 -7.881 -0.511 3.179 1.00 0.00 H new ATOM 0 HB3 SER A 86 -8.196 0.669 4.437 1.00 0.00 H new ATOM 0 HG SER A 86 -5.919 -0.445 5.145 1.00 0.00 H new ATOM 1344 N GLN A 87 -10.263 -0.526 4.504 1.00 0.00 N ATOM 1345 CA GLN A 87 -11.717 -0.538 4.377 1.00 0.00 C ATOM 1346 C GLN A 87 -12.234 0.763 3.768 1.00 0.00 C ATOM 1347 O GLN A 87 -11.655 1.830 3.973 1.00 0.00 O ATOM 1348 CB GLN A 87 -12.347 -0.765 5.758 1.00 0.00 C ATOM 1349 CG GLN A 87 -13.868 -0.741 5.773 1.00 0.00 C ATOM 1350 CD GLN A 87 -14.435 0.665 5.746 1.00 0.00 C ATOM 1351 OE1 GLN A 87 -15.565 0.881 5.313 1.00 0.00 O ATOM 1352 NE2 GLN A 87 -13.646 1.632 6.203 1.00 0.00 N ATOM 0 H GLN A 87 -9.810 0.304 4.121 1.00 0.00 H new ATOM 0 HA GLN A 87 -11.999 -1.350 3.707 1.00 0.00 H new ATOM 0 HB2 GLN A 87 -12.008 -1.727 6.143 1.00 0.00 H new ATOM 0 HB3 GLN A 87 -11.978 0.000 6.441 1.00 0.00 H new ATOM 0 HG2 GLN A 87 -14.244 -1.296 4.913 1.00 0.00 H new ATOM 0 HG3 GLN A 87 -14.226 -1.255 6.665 1.00 0.00 H new ATOM 0 HE21 GLN A 87 -12.715 1.408 6.553 1.00 0.00 H new ATOM 0 HE22 GLN A 87 -13.972 2.599 6.203 1.00 0.00 H new ATOM 1361 N ILE A 88 -13.329 0.662 3.020 1.00 0.00 N ATOM 1362 CA ILE A 88 -13.941 1.825 2.388 1.00 0.00 C ATOM 1363 C ILE A 88 -15.410 1.942 2.769 1.00 0.00 C ATOM 1364 O ILE A 88 -16.229 1.097 2.407 1.00 0.00 O ATOM 1365 CB ILE A 88 -13.822 1.772 0.853 1.00 0.00 C ATOM 1366 CG1 ILE A 88 -14.318 0.427 0.320 1.00 0.00 C ATOM 1367 CG2 ILE A 88 -12.384 2.024 0.430 1.00 0.00 C ATOM 1368 CD1 ILE A 88 -15.047 0.533 -1.003 1.00 0.00 C ATOM 0 H ILE A 88 -13.812 -0.218 2.837 1.00 0.00 H new ATOM 0 HA ILE A 88 -13.399 2.699 2.750 1.00 0.00 H new ATOM 0 HB ILE A 88 -14.450 2.555 0.427 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -13.468 -0.245 0.204 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -14.983 -0.024 1.057 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -12.312 1.984 -0.657 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -12.069 3.008 0.779 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -11.738 1.261 0.865 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -15.370 -0.458 -1.321 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -15.917 1.179 -0.888 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -14.379 0.955 -1.754 1.00 0.00 H new ATOM 1380 N GLU A 89 -15.735 2.992 3.511 1.00 0.00 N ATOM 1381 CA GLU A 89 -17.098 3.224 3.952 1.00 0.00 C ATOM 1382 C GLU A 89 -18.016 3.519 2.772 1.00 0.00 C ATOM 1383 O GLU A 89 -17.597 3.491 1.617 1.00 0.00 O ATOM 1384 CB GLU A 89 -17.128 4.391 4.936 1.00 0.00 C ATOM 1385 CG GLU A 89 -16.822 3.993 6.370 1.00 0.00 C ATOM 1386 CD GLU A 89 -16.769 5.185 7.306 1.00 0.00 C ATOM 1387 OE1 GLU A 89 -17.838 5.595 7.806 1.00 0.00 O ATOM 1388 OE2 GLU A 89 -15.659 5.708 7.539 1.00 0.00 O ATOM 0 H GLU A 89 -15.067 3.698 3.820 1.00 0.00 H new ATOM 0 HA GLU A 89 -17.457 2.320 4.443 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -16.406 5.143 4.616 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -18.112 4.858 4.901 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -17.582 3.294 6.720 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -15.867 3.468 6.402 1.00 0.00 H new ATOM 1395 N PHE A 90 -19.278 3.789 3.084 1.00 0.00 N ATOM 1396 CA PHE A 90 -20.282 4.115 2.078 1.00 0.00 C ATOM 1397 C PHE A 90 -21.283 5.098 2.675 1.00 0.00 C ATOM 1398 O PHE A 90 -21.156 5.482 3.837 1.00 0.00 O ATOM 1399 CB PHE A 90 -20.998 2.851 1.588 1.00 0.00 C ATOM 1400 CG PHE A 90 -20.080 1.833 0.964 1.00 0.00 C ATOM 1401 CD1 PHE A 90 -19.727 1.913 -0.379 1.00 0.00 C ATOM 1402 CD2 PHE A 90 -19.569 0.791 1.722 1.00 0.00 C ATOM 1403 CE1 PHE A 90 -18.887 0.974 -0.946 1.00 0.00 C ATOM 1404 CE2 PHE A 90 -18.728 -0.148 1.159 1.00 0.00 C ATOM 1405 CZ PHE A 90 -18.387 -0.057 -0.177 1.00 0.00 C ATOM 0 H PHE A 90 -19.634 3.788 4.040 1.00 0.00 H new ATOM 0 HA PHE A 90 -19.791 4.570 1.218 1.00 0.00 H new ATOM 0 HB2 PHE A 90 -21.517 2.391 2.428 1.00 0.00 H new ATOM 0 HB3 PHE A 90 -21.758 3.135 0.860 1.00 0.00 H new ATOM 0 HD1 PHE A 90 -20.114 2.718 -0.986 1.00 0.00 H new ATOM 0 HD2 PHE A 90 -19.832 0.713 2.767 1.00 0.00 H new ATOM 0 HE1 PHE A 90 -18.622 1.047 -1.990 1.00 0.00 H new ATOM 0 HE2 PHE A 90 -18.337 -0.954 1.763 1.00 0.00 H new ATOM 0 HZ PHE A 90 -17.730 -0.792 -0.619 1.00 0.00 H new ATOM 1415 N SER A 91 -22.276 5.502 1.892 1.00 0.00 N ATOM 1416 CA SER A 91 -23.269 6.449 2.388 1.00 0.00 C ATOM 1417 C SER A 91 -24.542 6.428 1.557 1.00 0.00 C ATOM 1418 O SER A 91 -24.552 6.853 0.407 1.00 0.00 O ATOM 1419 CB SER A 91 -22.703 7.868 2.405 1.00 0.00 C ATOM 1420 OG SER A 91 -21.560 7.957 3.238 1.00 0.00 O ATOM 0 H SER A 91 -22.415 5.196 0.929 1.00 0.00 H new ATOM 0 HA SER A 91 -23.517 6.140 3.404 1.00 0.00 H new ATOM 0 HB2 SER A 91 -22.441 8.169 1.391 1.00 0.00 H new ATOM 0 HB3 SER A 91 -23.466 8.562 2.756 1.00 0.00 H new ATOM 0 HG SER A 91 -21.507 7.161 3.807 1.00 0.00 H new ATOM 1426 N CYS A 92 -25.617 5.946 2.163 1.00 0.00 N ATOM 1427 CA CYS A 92 -26.895 5.899 1.467 1.00 0.00 C ATOM 1428 C CYS A 92 -27.569 7.263 1.565 1.00 0.00 C ATOM 1429 O CYS A 92 -27.723 7.816 2.654 1.00 0.00 O ATOM 1430 CB CYS A 92 -27.793 4.794 2.019 1.00 0.00 C ATOM 1431 SG CYS A 92 -29.078 4.254 0.857 1.00 0.00 S ATOM 0 H CYS A 92 -25.632 5.588 3.118 1.00 0.00 H new ATOM 0 HA CYS A 92 -26.718 5.663 0.418 1.00 0.00 H new ATOM 0 HB2 CYS A 92 -27.176 3.937 2.289 1.00 0.00 H new ATOM 0 HB3 CYS A 92 -28.268 5.147 2.935 1.00 0.00 H new ATOM 1436 N SER A 93 -27.955 7.799 0.411 1.00 0.00 N ATOM 1437 CA SER A 93 -28.577 9.119 0.321 1.00 0.00 C ATOM 1438 C SER A 93 -29.709 9.348 1.318 1.00 0.00 C ATOM 1439 O SER A 93 -30.083 8.474 2.099 1.00 0.00 O ATOM 1440 CB SER A 93 -29.104 9.358 -1.093 1.00 0.00 C ATOM 1441 OG SER A 93 -28.042 9.583 -2.005 1.00 0.00 O ATOM 0 H SER A 93 -27.846 7.332 -0.489 1.00 0.00 H new ATOM 0 HA SER A 93 -27.789 9.829 0.572 1.00 0.00 H new ATOM 0 HB2 SER A 93 -29.688 8.497 -1.417 1.00 0.00 H new ATOM 0 HB3 SER A 93 -29.775 10.217 -1.093 1.00 0.00 H new ATOM 0 HG SER A 93 -28.407 9.731 -2.902 1.00 0.00 H new ATOM 1447 N GLU A 94 -30.242 10.560 1.240 1.00 0.00 N ATOM 1448 CA GLU A 94 -31.329 11.033 2.089 1.00 0.00 C ATOM 1449 C GLU A 94 -32.446 10.014 2.298 1.00 0.00 C ATOM 1450 O GLU A 94 -32.520 9.378 3.349 1.00 0.00 O ATOM 1451 CB GLU A 94 -31.903 12.317 1.493 1.00 0.00 C ATOM 1452 CG GLU A 94 -33.068 12.884 2.278 1.00 0.00 C ATOM 1453 CD GLU A 94 -32.696 13.227 3.706 1.00 0.00 C ATOM 1454 OE1 GLU A 94 -32.220 14.358 3.940 1.00 0.00 O ATOM 1455 OE2 GLU A 94 -32.879 12.365 4.591 1.00 0.00 O ATOM 0 H GLU A 94 -29.923 11.259 0.569 1.00 0.00 H new ATOM 0 HA GLU A 94 -30.901 11.212 3.076 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -31.114 13.067 1.439 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -32.226 12.120 0.471 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -33.437 13.779 1.778 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -33.884 12.162 2.283 1.00 0.00 H new ATOM 1462 N GLY A 95 -33.319 9.872 1.310 1.00 0.00 N ATOM 1463 CA GLY A 95 -34.470 8.989 1.432 1.00 0.00 C ATOM 1464 C GLY A 95 -34.151 7.511 1.543 1.00 0.00 C ATOM 1465 O GLY A 95 -35.007 6.685 1.251 1.00 0.00 O ATOM 0 H GLY A 95 -33.252 10.357 0.415 1.00 0.00 H new ATOM 0 HA2 GLY A 95 -35.042 9.286 2.311 1.00 0.00 H new ATOM 0 HA3 GLY A 95 -35.115 9.140 0.566 1.00 0.00 H new ATOM 1469 N PHE A 96 -32.955 7.158 1.985 1.00 0.00 N ATOM 1470 CA PHE A 96 -32.593 5.745 2.134 1.00 0.00 C ATOM 1471 C PHE A 96 -31.491 5.569 3.168 1.00 0.00 C ATOM 1472 O PHE A 96 -30.919 6.540 3.663 1.00 0.00 O ATOM 1473 CB PHE A 96 -32.122 5.131 0.806 1.00 0.00 C ATOM 1474 CG PHE A 96 -32.508 5.898 -0.422 1.00 0.00 C ATOM 1475 CD1 PHE A 96 -33.740 5.699 -1.022 1.00 0.00 C ATOM 1476 CD2 PHE A 96 -31.634 6.817 -0.976 1.00 0.00 C ATOM 1477 CE1 PHE A 96 -34.099 6.403 -2.151 1.00 0.00 C ATOM 1478 CE2 PHE A 96 -31.985 7.526 -2.110 1.00 0.00 C ATOM 1479 CZ PHE A 96 -33.220 7.321 -2.698 1.00 0.00 C ATOM 0 H PHE A 96 -32.221 7.817 2.246 1.00 0.00 H new ATOM 0 HA PHE A 96 -33.495 5.229 2.463 1.00 0.00 H new ATOM 0 HB2 PHE A 96 -31.036 5.039 0.831 1.00 0.00 H new ATOM 0 HB3 PHE A 96 -32.526 4.122 0.727 1.00 0.00 H new ATOM 0 HD1 PHE A 96 -34.429 4.982 -0.600 1.00 0.00 H new ATOM 0 HD2 PHE A 96 -30.670 6.982 -0.519 1.00 0.00 H new ATOM 0 HE1 PHE A 96 -35.064 6.239 -2.608 1.00 0.00 H new ATOM 0 HE2 PHE A 96 -31.295 8.239 -2.536 1.00 0.00 H new ATOM 0 HZ PHE A 96 -33.498 7.876 -3.582 1.00 0.00 H new ATOM 1489 N PHE A 97 -31.208 4.312 3.488 1.00 0.00 N ATOM 1490 CA PHE A 97 -30.170 3.973 4.448 1.00 0.00 C ATOM 1491 C PHE A 97 -29.353 2.802 3.932 1.00 0.00 C ATOM 1492 O PHE A 97 -29.701 2.172 2.932 1.00 0.00 O ATOM 1493 CB PHE A 97 -30.781 3.665 5.820 1.00 0.00 C ATOM 1494 CG PHE A 97 -31.581 2.393 5.881 1.00 0.00 C ATOM 1495 CD1 PHE A 97 -32.753 2.256 5.155 1.00 0.00 C ATOM 1496 CD2 PHE A 97 -31.167 1.341 6.684 1.00 0.00 C ATOM 1497 CE1 PHE A 97 -33.495 1.092 5.224 1.00 0.00 C ATOM 1498 CE2 PHE A 97 -31.908 0.177 6.760 1.00 0.00 C ATOM 1499 CZ PHE A 97 -33.073 0.053 6.029 1.00 0.00 C ATOM 0 H PHE A 97 -31.689 3.505 3.091 1.00 0.00 H new ATOM 0 HA PHE A 97 -29.505 4.828 4.570 1.00 0.00 H new ATOM 0 HB2 PHE A 97 -29.979 3.609 6.556 1.00 0.00 H new ATOM 0 HB3 PHE A 97 -31.423 4.496 6.111 1.00 0.00 H new ATOM 0 HD1 PHE A 97 -33.091 3.068 4.528 1.00 0.00 H new ATOM 0 HD2 PHE A 97 -30.256 1.432 7.256 1.00 0.00 H new ATOM 0 HE1 PHE A 97 -34.404 0.995 4.649 1.00 0.00 H new ATOM 0 HE2 PHE A 97 -31.576 -0.635 7.390 1.00 0.00 H new ATOM 0 HZ PHE A 97 -33.653 -0.856 6.087 1.00 0.00 H new ATOM 1509 N LEU A 98 -28.265 2.516 4.630 1.00 0.00 N ATOM 1510 CA LEU A 98 -27.380 1.438 4.229 1.00 0.00 C ATOM 1511 C LEU A 98 -27.813 0.109 4.825 1.00 0.00 C ATOM 1512 O LEU A 98 -28.235 0.035 5.979 1.00 0.00 O ATOM 1513 CB LEU A 98 -25.944 1.747 4.632 1.00 0.00 C ATOM 1514 CG LEU A 98 -24.900 0.848 3.974 1.00 0.00 C ATOM 1515 CD1 LEU A 98 -23.577 1.579 3.847 1.00 0.00 C ATOM 1516 CD2 LEU A 98 -24.735 -0.440 4.761 1.00 0.00 C ATOM 0 H LEU A 98 -27.976 3.013 5.472 1.00 0.00 H new ATOM 0 HA LEU A 98 -27.436 1.355 3.144 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -25.724 2.784 4.381 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -25.855 1.656 5.715 1.00 0.00 H new ATOM 0 HG LEU A 98 -25.244 0.591 2.972 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -22.843 0.925 3.376 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -23.712 2.472 3.236 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -23.224 1.867 4.837 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -23.987 -1.069 4.278 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -24.412 -0.207 5.776 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -25.687 -0.970 4.795 1.00 0.00 H new ATOM 1528 N ILE A 99 -27.701 -0.940 4.019 1.00 0.00 N ATOM 1529 CA ILE A 99 -28.056 -2.297 4.415 1.00 0.00 C ATOM 1530 C ILE A 99 -27.273 -3.283 3.571 1.00 0.00 C ATOM 1531 O ILE A 99 -27.578 -3.527 2.404 1.00 0.00 O ATOM 1532 CB ILE A 99 -29.555 -2.585 4.192 1.00 0.00 C ATOM 1533 CG1 ILE A 99 -30.357 -1.288 4.196 1.00 0.00 C ATOM 1534 CG2 ILE A 99 -30.074 -3.542 5.253 1.00 0.00 C ATOM 1535 CD1 ILE A 99 -31.645 -1.365 3.404 1.00 0.00 C ATOM 0 H ILE A 99 -27.357 -0.871 3.061 1.00 0.00 H new ATOM 0 HA ILE A 99 -27.825 -2.399 5.475 1.00 0.00 H new ATOM 0 HB ILE A 99 -29.676 -3.056 3.216 1.00 0.00 H new ATOM 0 HG12 ILE A 99 -30.590 -1.019 5.226 1.00 0.00 H new ATOM 0 HG13 ILE A 99 -29.739 -0.488 3.790 1.00 0.00 H new ATOM 0 HG21 ILE A 99 -31.133 -3.735 5.082 1.00 0.00 H new ATOM 0 HG22 ILE A 99 -29.521 -4.480 5.199 1.00 0.00 H new ATOM 0 HG23 ILE A 99 -29.941 -3.098 6.240 1.00 0.00 H new ATOM 0 HD11 ILE A 99 -32.160 -0.406 3.453 1.00 0.00 H new ATOM 0 HD12 ILE A 99 -31.419 -1.603 2.364 1.00 0.00 H new ATOM 0 HD13 ILE A 99 -32.284 -2.142 3.823 1.00 0.00 H new ATOM 1547 N GLY A 100 -26.249 -3.839 4.202 1.00 0.00 N ATOM 1548 CA GLY A 100 -25.371 -4.787 3.553 1.00 0.00 C ATOM 1549 C GLY A 100 -24.083 -4.956 4.324 1.00 0.00 C ATOM 1550 O GLY A 100 -23.727 -6.057 4.745 1.00 0.00 O ATOM 0 H GLY A 100 -26.009 -3.643 5.174 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -25.874 -5.750 3.464 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -25.150 -4.448 2.541 1.00 0.00 H new ATOM 1554 N SER A 101 -23.401 -3.834 4.508 1.00 0.00 N ATOM 1555 CA SER A 101 -22.134 -3.767 5.222 1.00 0.00 C ATOM 1556 C SER A 101 -21.547 -2.384 5.006 1.00 0.00 C ATOM 1557 O SER A 101 -20.989 -2.104 3.944 1.00 0.00 O ATOM 1558 CB SER A 101 -21.162 -4.835 4.713 1.00 0.00 C ATOM 1559 OG SER A 101 -19.964 -4.837 5.469 1.00 0.00 O ATOM 0 H SER A 101 -23.718 -2.930 4.159 1.00 0.00 H new ATOM 0 HA SER A 101 -22.300 -3.951 6.283 1.00 0.00 H new ATOM 0 HB2 SER A 101 -21.633 -5.816 4.770 1.00 0.00 H new ATOM 0 HB3 SER A 101 -20.933 -4.652 3.663 1.00 0.00 H new ATOM 0 HG SER A 101 -19.362 -4.141 5.130 1.00 0.00 H new ATOM 1565 N THR A 102 -21.668 -1.511 6.002 1.00 0.00 N ATOM 1566 CA THR A 102 -21.178 -0.148 5.863 1.00 0.00 C ATOM 1567 C THR A 102 -19.680 -0.128 5.648 1.00 0.00 C ATOM 1568 O THR A 102 -19.114 0.894 5.257 1.00 0.00 O ATOM 1569 CB THR A 102 -21.521 0.717 7.092 1.00 0.00 C ATOM 1570 OG1 THR A 102 -20.778 0.264 8.231 1.00 0.00 O ATOM 1571 CG2 THR A 102 -23.008 0.662 7.404 1.00 0.00 C ATOM 0 H THR A 102 -22.096 -1.722 6.903 1.00 0.00 H new ATOM 0 HA THR A 102 -21.678 0.273 4.991 1.00 0.00 H new ATOM 0 HB THR A 102 -21.253 1.749 6.863 1.00 0.00 H new ATOM 0 HG1 THR A 102 -20.999 0.819 9.008 1.00 0.00 H new ATOM 0 HG21 THR A 102 -23.220 1.281 8.275 1.00 0.00 H new ATOM 0 HG22 THR A 102 -23.573 1.033 6.549 1.00 0.00 H new ATOM 0 HG23 THR A 102 -23.298 -0.368 7.612 1.00 0.00 H new ATOM 1579 N THR A 103 -19.038 -1.253 5.902 1.00 0.00 N ATOM 1580 CA THR A 103 -17.610 -1.356 5.719 1.00 0.00 C ATOM 1581 C THR A 103 -17.293 -2.386 4.651 1.00 0.00 C ATOM 1582 O THR A 103 -18.086 -3.288 4.386 1.00 0.00 O ATOM 1583 CB THR A 103 -16.899 -1.714 7.022 1.00 0.00 C ATOM 1584 OG1 THR A 103 -17.469 -2.896 7.595 1.00 0.00 O ATOM 1585 CG2 THR A 103 -16.988 -0.562 8.010 1.00 0.00 C ATOM 0 H THR A 103 -19.487 -2.106 6.236 1.00 0.00 H new ATOM 0 HA THR A 103 -17.245 -0.380 5.399 1.00 0.00 H new ATOM 0 HB THR A 103 -15.849 -1.904 6.798 1.00 0.00 H new ATOM 0 HG1 THR A 103 -17.002 -3.114 8.428 1.00 0.00 H new ATOM 0 HG21 THR A 103 -16.476 -0.834 8.933 1.00 0.00 H new ATOM 0 HG22 THR A 103 -16.517 0.322 7.581 1.00 0.00 H new ATOM 0 HG23 THR A 103 -18.035 -0.347 8.225 1.00 0.00 H new ATOM 1593 N SER A 104 -16.128 -2.244 4.040 1.00 0.00 N ATOM 1594 CA SER A 104 -15.660 -3.184 3.039 1.00 0.00 C ATOM 1595 C SER A 104 -14.146 -3.296 3.144 1.00 0.00 C ATOM 1596 O SER A 104 -13.429 -2.327 2.906 1.00 0.00 O ATOM 1597 CB SER A 104 -16.076 -2.738 1.635 1.00 0.00 C ATOM 1598 OG SER A 104 -17.479 -2.832 1.467 1.00 0.00 O ATOM 0 H SER A 104 -15.483 -1.476 4.224 1.00 0.00 H new ATOM 0 HA SER A 104 -16.112 -4.160 3.217 1.00 0.00 H new ATOM 0 HB2 SER A 104 -15.754 -1.710 1.466 1.00 0.00 H new ATOM 0 HB3 SER A 104 -15.575 -3.356 0.890 1.00 0.00 H new ATOM 0 HG SER A 104 -17.794 -2.082 0.921 1.00 0.00 H new ATOM 1604 N ARG A 105 -13.659 -4.484 3.488 1.00 0.00 N ATOM 1605 CA ARG A 105 -12.227 -4.721 3.657 1.00 0.00 C ATOM 1606 C ARG A 105 -11.606 -5.236 2.369 1.00 0.00 C ATOM 1607 O ARG A 105 -12.190 -6.070 1.676 1.00 0.00 O ATOM 1608 CB ARG A 105 -11.990 -5.726 4.784 1.00 0.00 C ATOM 1609 CG ARG A 105 -12.604 -5.308 6.110 1.00 0.00 C ATOM 1610 CD ARG A 105 -12.328 -6.333 7.199 1.00 0.00 C ATOM 1611 NE ARG A 105 -12.868 -7.648 6.864 1.00 0.00 N ATOM 1612 CZ ARG A 105 -12.631 -8.745 7.575 1.00 0.00 C ATOM 1613 NH1 ARG A 105 -11.867 -8.686 8.658 1.00 0.00 N ATOM 1614 NH2 ARG A 105 -13.158 -9.905 7.205 1.00 0.00 N ATOM 0 H ARG A 105 -14.240 -5.305 3.657 1.00 0.00 H new ATOM 0 HA ARG A 105 -11.754 -3.773 3.914 1.00 0.00 H new ATOM 0 HB2 ARG A 105 -12.401 -6.692 4.491 1.00 0.00 H new ATOM 0 HB3 ARG A 105 -10.917 -5.864 4.917 1.00 0.00 H new ATOM 0 HG2 ARG A 105 -12.202 -4.340 6.409 1.00 0.00 H new ATOM 0 HG3 ARG A 105 -13.680 -5.183 5.991 1.00 0.00 H new ATOM 0 HD2 ARG A 105 -11.253 -6.413 7.357 1.00 0.00 H new ATOM 0 HD3 ARG A 105 -12.764 -5.991 8.138 1.00 0.00 H new ATOM 0 HE ARG A 105 -13.460 -7.729 6.038 1.00 0.00 H new ATOM 0 HH11 ARG A 105 -11.460 -7.797 8.947 1.00 0.00 H new ATOM 0 HH12 ARG A 105 -11.687 -9.530 9.202 1.00 0.00 H new ATOM 0 HH21 ARG A 105 -13.746 -9.956 6.373 1.00 0.00 H new ATOM 0 HH22 ARG A 105 -12.975 -10.746 7.752 1.00 0.00 H new ATOM 1628 N CYS A 106 -10.409 -4.754 2.066 1.00 0.00 N ATOM 1629 CA CYS A 106 -9.717 -5.157 0.855 1.00 0.00 C ATOM 1630 C CYS A 106 -8.922 -6.424 1.109 1.00 0.00 C ATOM 1631 O CYS A 106 -7.959 -6.420 1.875 1.00 0.00 O ATOM 1632 CB CYS A 106 -8.797 -4.038 0.371 1.00 0.00 C ATOM 1633 SG CYS A 106 -9.247 -3.359 -1.253 1.00 0.00 S ATOM 0 H CYS A 106 -9.899 -4.084 2.643 1.00 0.00 H new ATOM 0 HA CYS A 106 -10.455 -5.356 0.078 1.00 0.00 H new ATOM 0 HB2 CYS A 106 -8.805 -3.232 1.105 1.00 0.00 H new ATOM 0 HB3 CYS A 106 -7.776 -4.416 0.325 1.00 0.00 H new ATOM 1638 N GLU A 107 -9.337 -7.511 0.474 1.00 0.00 N ATOM 1639 CA GLU A 107 -8.689 -8.796 0.660 1.00 0.00 C ATOM 1640 C GLU A 107 -8.140 -9.332 -0.663 1.00 0.00 C ATOM 1641 O GLU A 107 -8.448 -8.801 -1.726 1.00 0.00 O ATOM 1642 CB GLU A 107 -9.697 -9.772 1.273 1.00 0.00 C ATOM 1643 CG GLU A 107 -9.141 -11.158 1.551 1.00 0.00 C ATOM 1644 CD GLU A 107 -10.103 -12.027 2.338 1.00 0.00 C ATOM 1645 OE1 GLU A 107 -11.025 -12.600 1.720 1.00 0.00 O ATOM 1646 OE2 GLU A 107 -9.935 -12.133 3.571 1.00 0.00 O ATOM 0 H GLU A 107 -10.123 -7.526 -0.176 1.00 0.00 H new ATOM 0 HA GLU A 107 -7.841 -8.680 1.334 1.00 0.00 H new ATOM 0 HB2 GLU A 107 -10.071 -9.350 2.206 1.00 0.00 H new ATOM 0 HB3 GLU A 107 -10.550 -9.864 0.600 1.00 0.00 H new ATOM 0 HG2 GLU A 107 -8.906 -11.647 0.606 1.00 0.00 H new ATOM 0 HG3 GLU A 107 -8.206 -11.066 2.103 1.00 0.00 H new ATOM 1653 N VAL A 108 -7.314 -10.372 -0.573 1.00 0.00 N ATOM 1654 CA VAL A 108 -6.726 -10.978 -1.760 1.00 0.00 C ATOM 1655 C VAL A 108 -6.519 -12.480 -1.658 1.00 0.00 C ATOM 1656 O VAL A 108 -6.154 -13.023 -0.614 1.00 0.00 O ATOM 1657 CB VAL A 108 -5.392 -10.324 -2.134 1.00 0.00 C ATOM 1658 CG1 VAL A 108 -4.470 -10.244 -0.953 1.00 0.00 C ATOM 1659 CG2 VAL A 108 -4.715 -11.079 -3.268 1.00 0.00 C ATOM 0 H VAL A 108 -7.039 -10.809 0.306 1.00 0.00 H new ATOM 0 HA VAL A 108 -7.465 -10.800 -2.541 1.00 0.00 H new ATOM 0 HB VAL A 108 -5.612 -9.310 -2.467 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -3.533 -9.775 -1.254 1.00 0.00 H new ATOM 0 HG12 VAL A 108 -4.937 -9.651 -0.167 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -4.269 -11.248 -0.579 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -3.770 -10.595 -3.515 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -4.526 -12.107 -2.959 1.00 0.00 H new ATOM 0 HG23 VAL A 108 -5.363 -11.077 -4.144 1.00 0.00 H new ATOM 1669 N GLN A 109 -6.769 -13.123 -2.788 1.00 0.00 N ATOM 1670 CA GLN A 109 -6.616 -14.561 -2.912 1.00 0.00 C ATOM 1671 C GLN A 109 -5.486 -14.905 -3.880 1.00 0.00 C ATOM 1672 O GLN A 109 -5.401 -14.346 -4.975 1.00 0.00 O ATOM 1673 CB GLN A 109 -7.943 -15.159 -3.373 1.00 0.00 C ATOM 1674 CG GLN A 109 -9.127 -14.578 -2.613 1.00 0.00 C ATOM 1675 CD GLN A 109 -10.456 -14.775 -3.318 1.00 0.00 C ATOM 1676 OE1 GLN A 109 -10.642 -15.732 -4.069 1.00 0.00 O ATOM 1677 NE2 GLN A 109 -11.393 -13.862 -3.068 1.00 0.00 N ATOM 0 H GLN A 109 -7.083 -12.662 -3.642 1.00 0.00 H new ATOM 0 HA GLN A 109 -6.349 -14.986 -1.945 1.00 0.00 H new ATOM 0 HB2 GLN A 109 -8.072 -14.975 -4.440 1.00 0.00 H new ATOM 0 HB3 GLN A 109 -7.920 -16.240 -3.236 1.00 0.00 H new ATOM 0 HG2 GLN A 109 -9.177 -15.039 -1.626 1.00 0.00 H new ATOM 0 HG3 GLN A 109 -8.961 -13.512 -2.459 1.00 0.00 H new ATOM 0 HE21 GLN A 109 -11.193 -13.085 -2.438 1.00 0.00 H new ATOM 0 HE22 GLN A 109 -12.311 -13.940 -3.507 1.00 0.00 H new ATOM 1686 N ASP A 110 -4.616 -15.824 -3.460 1.00 0.00 N ATOM 1687 CA ASP A 110 -3.477 -16.247 -4.270 1.00 0.00 C ATOM 1688 C ASP A 110 -2.479 -15.106 -4.458 1.00 0.00 C ATOM 1689 O ASP A 110 -1.623 -14.870 -3.605 1.00 0.00 O ATOM 1690 CB ASP A 110 -3.952 -16.772 -5.624 1.00 0.00 C ATOM 1691 CG ASP A 110 -4.612 -18.132 -5.520 1.00 0.00 C ATOM 1692 OD1 ASP A 110 -3.881 -19.144 -5.463 1.00 0.00 O ATOM 1693 OD2 ASP A 110 -5.859 -18.186 -5.498 1.00 0.00 O ATOM 0 H ASP A 110 -4.681 -16.292 -2.556 1.00 0.00 H new ATOM 0 HA ASP A 110 -2.968 -17.053 -3.741 1.00 0.00 H new ATOM 0 HB2 ASP A 110 -4.656 -16.062 -6.059 1.00 0.00 H new ATOM 0 HB3 ASP A 110 -3.102 -16.835 -6.304 1.00 0.00 H new ATOM 1698 N ARG A 111 -2.597 -14.403 -5.577 1.00 0.00 N ATOM 1699 CA ARG A 111 -1.713 -13.286 -5.882 1.00 0.00 C ATOM 1700 C ARG A 111 -2.481 -12.156 -6.543 1.00 0.00 C ATOM 1701 O ARG A 111 -1.907 -11.130 -6.911 1.00 0.00 O ATOM 1702 CB ARG A 111 -0.569 -13.742 -6.786 1.00 0.00 C ATOM 1703 CG ARG A 111 -1.040 -14.382 -8.081 1.00 0.00 C ATOM 1704 CD ARG A 111 0.104 -14.564 -9.063 1.00 0.00 C ATOM 1705 NE ARG A 111 0.664 -13.284 -9.489 1.00 0.00 N ATOM 1706 CZ ARG A 111 1.915 -13.129 -9.912 1.00 0.00 C ATOM 1707 NH1 ARG A 111 2.738 -14.169 -9.957 1.00 0.00 N ATOM 1708 NH2 ARG A 111 2.344 -11.933 -10.288 1.00 0.00 N ATOM 0 H ARG A 111 -3.301 -14.588 -6.292 1.00 0.00 H new ATOM 0 HA ARG A 111 -1.296 -12.918 -4.945 1.00 0.00 H new ATOM 0 HB2 ARG A 111 0.061 -12.885 -7.022 1.00 0.00 H new ATOM 0 HB3 ARG A 111 0.052 -14.454 -6.242 1.00 0.00 H new ATOM 0 HG2 ARG A 111 -1.493 -15.350 -7.866 1.00 0.00 H new ATOM 0 HG3 ARG A 111 -1.814 -13.762 -8.534 1.00 0.00 H new ATOM 0 HD2 ARG A 111 0.886 -15.167 -8.602 1.00 0.00 H new ATOM 0 HD3 ARG A 111 -0.250 -15.114 -9.935 1.00 0.00 H new ATOM 0 HE ARG A 111 0.061 -12.462 -9.460 1.00 0.00 H new ATOM 0 HH11 ARG A 111 2.412 -15.091 -9.667 1.00 0.00 H new ATOM 0 HH12 ARG A 111 3.697 -14.047 -10.282 1.00 0.00 H new ATOM 0 HH21 ARG A 111 1.715 -11.131 -10.253 1.00 0.00 H new ATOM 0 HH22 ARG A 111 3.304 -11.814 -10.612 1.00 0.00 H new ATOM 1722 N GLY A 112 -3.783 -12.349 -6.688 1.00 0.00 N ATOM 1723 CA GLY A 112 -4.616 -11.334 -7.286 1.00 0.00 C ATOM 1724 C GLY A 112 -5.606 -10.812 -6.288 1.00 0.00 C ATOM 1725 O GLY A 112 -6.481 -11.545 -5.827 1.00 0.00 O ATOM 0 H GLY A 112 -4.276 -13.194 -6.400 1.00 0.00 H new ATOM 0 HA2 GLY A 112 -3.996 -10.516 -7.654 1.00 0.00 H new ATOM 0 HA3 GLY A 112 -5.142 -11.747 -8.147 1.00 0.00 H new ATOM 1729 N VAL A 113 -5.460 -9.544 -5.951 1.00 0.00 N ATOM 1730 CA VAL A 113 -6.308 -8.924 -4.957 1.00 0.00 C ATOM 1731 C VAL A 113 -7.774 -9.274 -5.180 1.00 0.00 C ATOM 1732 O VAL A 113 -8.296 -9.195 -6.292 1.00 0.00 O ATOM 1733 CB VAL A 113 -6.061 -7.415 -4.881 1.00 0.00 C ATOM 1734 CG1 VAL A 113 -6.444 -6.892 -3.514 1.00 0.00 C ATOM 1735 CG2 VAL A 113 -4.589 -7.130 -5.163 1.00 0.00 C ATOM 0 H VAL A 113 -4.758 -8.923 -6.354 1.00 0.00 H new ATOM 0 HA VAL A 113 -6.041 -9.331 -3.982 1.00 0.00 H new ATOM 0 HB VAL A 113 -6.675 -6.910 -5.627 1.00 0.00 H new ATOM 0 HG11 VAL A 113 -6.264 -5.818 -3.472 1.00 0.00 H new ATOM 0 HG12 VAL A 113 -7.500 -7.090 -3.331 1.00 0.00 H new ATOM 0 HG13 VAL A 113 -5.844 -7.391 -2.753 1.00 0.00 H new ATOM 0 HG21 VAL A 113 -4.410 -6.056 -5.110 1.00 0.00 H new ATOM 0 HG22 VAL A 113 -3.972 -7.638 -4.422 1.00 0.00 H new ATOM 0 HG23 VAL A 113 -4.333 -7.492 -6.159 1.00 0.00 H new ATOM 1745 N GLY A 114 -8.415 -9.664 -4.087 1.00 0.00 N ATOM 1746 CA GLY A 114 -9.785 -10.116 -4.215 1.00 0.00 C ATOM 1747 C GLY A 114 -10.808 -9.527 -3.260 1.00 0.00 C ATOM 1748 O GLY A 114 -10.954 -10.035 -2.147 1.00 0.00 O ATOM 0 H GLY A 114 -8.027 -9.677 -3.144 1.00 0.00 H new ATOM 0 HA2 GLY A 114 -10.115 -9.907 -5.233 1.00 0.00 H new ATOM 0 HA3 GLY A 114 -9.795 -11.199 -4.093 1.00 0.00 H new ATOM 1752 N TRP A 115 -11.512 -8.465 -3.652 1.00 0.00 N ATOM 1753 CA TRP A 115 -12.558 -7.865 -2.816 1.00 0.00 C ATOM 1754 C TRP A 115 -13.470 -8.930 -2.212 1.00 0.00 C ATOM 1755 O TRP A 115 -13.500 -10.073 -2.672 1.00 0.00 O ATOM 1756 CB TRP A 115 -13.410 -6.886 -3.635 1.00 0.00 C ATOM 1757 CG TRP A 115 -13.011 -5.454 -3.467 1.00 0.00 C ATOM 1758 CD1 TRP A 115 -12.551 -4.609 -4.435 1.00 0.00 C ATOM 1759 CD2 TRP A 115 -13.045 -4.696 -2.254 1.00 0.00 C ATOM 1760 NE1 TRP A 115 -12.293 -3.370 -3.894 1.00 0.00 N ATOM 1761 CE2 TRP A 115 -12.586 -3.403 -2.558 1.00 0.00 C ATOM 1762 CE3 TRP A 115 -13.416 -4.987 -0.940 1.00 0.00 C ATOM 1763 CZ2 TRP A 115 -12.489 -2.405 -1.597 1.00 0.00 C ATOM 1764 CZ3 TRP A 115 -13.320 -3.993 0.013 1.00 0.00 C ATOM 1765 CH2 TRP A 115 -12.859 -2.715 -0.320 1.00 0.00 C ATOM 0 H TRP A 115 -11.377 -7.998 -4.549 1.00 0.00 H new ATOM 0 HA TRP A 115 -12.057 -7.331 -2.009 1.00 0.00 H new ATOM 0 HB2 TRP A 115 -13.340 -7.152 -4.690 1.00 0.00 H new ATOM 0 HB3 TRP A 115 -14.455 -6.999 -3.347 1.00 0.00 H new ATOM 0 HD1 TRP A 115 -12.410 -4.874 -5.473 1.00 0.00 H new ATOM 0 HE1 TRP A 115 -11.941 -2.560 -4.405 1.00 0.00 H new ATOM 0 HE3 TRP A 115 -13.772 -5.972 -0.674 1.00 0.00 H new ATOM 0 HZ2 TRP A 115 -12.133 -1.418 -1.851 1.00 0.00 H new ATOM 0 HZ3 TRP A 115 -13.606 -4.206 1.033 1.00 0.00 H new ATOM 0 HH2 TRP A 115 -12.795 -1.959 0.448 1.00 0.00 H new ATOM 1776 N SER A 116 -14.222 -8.545 -1.183 1.00 0.00 N ATOM 1777 CA SER A 116 -15.136 -9.466 -0.522 1.00 0.00 C ATOM 1778 C SER A 116 -16.587 -8.992 -0.647 1.00 0.00 C ATOM 1779 O SER A 116 -17.510 -9.806 -0.700 1.00 0.00 O ATOM 1780 CB SER A 116 -14.764 -9.613 0.954 1.00 0.00 C ATOM 1781 OG SER A 116 -14.863 -8.372 1.631 1.00 0.00 O ATOM 0 H SER A 116 -14.215 -7.603 -0.792 1.00 0.00 H new ATOM 0 HA SER A 116 -15.048 -10.435 -1.014 1.00 0.00 H new ATOM 0 HB2 SER A 116 -15.422 -10.342 1.427 1.00 0.00 H new ATOM 0 HB3 SER A 116 -13.748 -9.997 1.040 1.00 0.00 H new ATOM 0 HG SER A 116 -14.622 -8.493 2.573 1.00 0.00 H new ATOM 1787 N HIS A 117 -16.782 -7.673 -0.694 1.00 0.00 N ATOM 1788 CA HIS A 117 -18.125 -7.099 -0.803 1.00 0.00 C ATOM 1789 C HIS A 117 -18.078 -5.672 -1.355 1.00 0.00 C ATOM 1790 O HIS A 117 -17.304 -4.842 -0.876 1.00 0.00 O ATOM 1791 CB HIS A 117 -18.808 -7.098 0.565 1.00 0.00 C ATOM 1792 CG HIS A 117 -20.241 -6.663 0.526 1.00 0.00 C ATOM 1793 ND1 HIS A 117 -20.652 -5.396 0.887 1.00 0.00 N ATOM 1794 CD2 HIS A 117 -21.363 -7.335 0.176 1.00 0.00 C ATOM 1795 CE1 HIS A 117 -21.964 -5.310 0.762 1.00 0.00 C ATOM 1796 NE2 HIS A 117 -22.420 -6.472 0.331 1.00 0.00 N ATOM 0 H HIS A 117 -16.031 -6.984 -0.658 1.00 0.00 H new ATOM 0 HA HIS A 117 -18.696 -7.716 -1.497 1.00 0.00 H new ATOM 0 HB2 HIS A 117 -18.754 -8.101 0.988 1.00 0.00 H new ATOM 0 HB3 HIS A 117 -18.256 -6.439 1.235 1.00 0.00 H new ATOM 0 HD2 HIS A 117 -21.417 -8.359 -0.162 1.00 0.00 H new ATOM 0 HE1 HIS A 117 -22.563 -4.437 0.976 1.00 0.00 H new ATOM 0 HE2 HIS A 117 -23.398 -6.693 0.144 1.00 0.00 H new ATOM 1805 N PRO A 118 -18.907 -5.369 -2.372 1.00 0.00 N ATOM 1806 CA PRO A 118 -18.970 -4.055 -2.992 1.00 0.00 C ATOM 1807 C PRO A 118 -20.115 -3.188 -2.459 1.00 0.00 C ATOM 1808 O PRO A 118 -20.548 -3.340 -1.316 1.00 0.00 O ATOM 1809 CB PRO A 118 -19.210 -4.413 -4.458 1.00 0.00 C ATOM 1810 CG PRO A 118 -19.940 -5.728 -4.438 1.00 0.00 C ATOM 1811 CD PRO A 118 -19.836 -6.289 -3.035 1.00 0.00 C ATOM 0 HA PRO A 118 -18.076 -3.461 -2.800 1.00 0.00 H new ATOM 0 HB2 PRO A 118 -19.800 -3.645 -4.958 1.00 0.00 H new ATOM 0 HB3 PRO A 118 -18.268 -4.495 -5.001 1.00 0.00 H new ATOM 0 HG2 PRO A 118 -20.984 -5.590 -4.719 1.00 0.00 H new ATOM 0 HG3 PRO A 118 -19.504 -6.419 -5.160 1.00 0.00 H new ATOM 0 HD2 PRO A 118 -20.805 -6.310 -2.537 1.00 0.00 H new ATOM 0 HD3 PRO A 118 -19.457 -7.311 -3.037 1.00 0.00 H new ATOM 1819 N LEU A 119 -20.590 -2.277 -3.310 1.00 0.00 N ATOM 1820 CA LEU A 119 -21.678 -1.362 -2.978 1.00 0.00 C ATOM 1821 C LEU A 119 -22.850 -2.084 -2.305 1.00 0.00 C ATOM 1822 O LEU A 119 -23.444 -2.992 -2.886 1.00 0.00 O ATOM 1823 CB LEU A 119 -22.149 -0.670 -4.259 1.00 0.00 C ATOM 1824 CG LEU A 119 -21.031 -0.194 -5.201 1.00 0.00 C ATOM 1825 CD1 LEU A 119 -19.821 0.289 -4.408 1.00 0.00 C ATOM 1826 CD2 LEU A 119 -20.639 -1.298 -6.171 1.00 0.00 C ATOM 0 H LEU A 119 -20.226 -2.154 -4.255 1.00 0.00 H new ATOM 0 HA LEU A 119 -21.305 -0.626 -2.266 1.00 0.00 H new ATOM 0 HB2 LEU A 119 -22.794 -1.357 -4.807 1.00 0.00 H new ATOM 0 HB3 LEU A 119 -22.760 0.190 -3.984 1.00 0.00 H new ATOM 0 HG LEU A 119 -21.410 0.648 -5.780 1.00 0.00 H new ATOM 0 HD11 LEU A 119 -19.044 0.621 -5.096 1.00 0.00 H new ATOM 0 HD12 LEU A 119 -20.115 1.119 -3.765 1.00 0.00 H new ATOM 0 HD13 LEU A 119 -19.439 -0.527 -3.795 1.00 0.00 H new ATOM 0 HD21 LEU A 119 -19.847 -0.940 -6.828 1.00 0.00 H new ATOM 0 HD22 LEU A 119 -20.284 -2.164 -5.612 1.00 0.00 H new ATOM 0 HD23 LEU A 119 -21.505 -1.582 -6.768 1.00 0.00 H new ATOM 1838 N PRO A 120 -23.194 -1.681 -1.063 1.00 0.00 N ATOM 1839 CA PRO A 120 -24.299 -2.285 -0.300 1.00 0.00 C ATOM 1840 C PRO A 120 -25.657 -2.071 -0.967 1.00 0.00 C ATOM 1841 O PRO A 120 -25.733 -1.692 -2.135 1.00 0.00 O ATOM 1842 CB PRO A 120 -24.253 -1.557 1.050 1.00 0.00 C ATOM 1843 CG PRO A 120 -22.900 -0.936 1.117 1.00 0.00 C ATOM 1844 CD PRO A 120 -22.525 -0.616 -0.299 1.00 0.00 C ATOM 0 HA PRO A 120 -24.185 -3.366 -0.221 1.00 0.00 H new ATOM 0 HB2 PRO A 120 -25.036 -0.802 1.116 1.00 0.00 H new ATOM 0 HB3 PRO A 120 -24.409 -2.251 1.876 1.00 0.00 H new ATOM 0 HG2 PRO A 120 -22.913 -0.035 1.731 1.00 0.00 H new ATOM 0 HG3 PRO A 120 -22.179 -1.618 1.568 1.00 0.00 H new ATOM 0 HD2 PRO A 120 -22.873 0.374 -0.595 1.00 0.00 H new ATOM 0 HD3 PRO A 120 -21.445 -0.631 -0.445 1.00 0.00 H new ATOM 1852 N GLN A 121 -26.730 -2.316 -0.213 1.00 0.00 N ATOM 1853 CA GLN A 121 -28.080 -2.156 -0.728 1.00 0.00 C ATOM 1854 C GLN A 121 -28.744 -0.895 -0.178 1.00 0.00 C ATOM 1855 O GLN A 121 -28.890 -0.734 1.034 1.00 0.00 O ATOM 1856 CB GLN A 121 -28.916 -3.382 -0.368 1.00 0.00 C ATOM 1857 CG GLN A 121 -28.751 -4.537 -1.342 1.00 0.00 C ATOM 1858 CD GLN A 121 -29.670 -5.705 -1.036 1.00 0.00 C ATOM 1859 OE1 GLN A 121 -29.990 -5.894 0.239 1.00 0.00 O flip ATOM 1860 NE2 GLN A 121 -30.087 -6.432 -1.938 1.00 0.00 N flip ATOM 0 H GLN A 121 -26.684 -2.626 0.758 1.00 0.00 H new ATOM 0 HA GLN A 121 -28.019 -2.056 -1.812 1.00 0.00 H new ATOM 0 HB2 GLN A 121 -28.641 -3.718 0.632 1.00 0.00 H new ATOM 0 HB3 GLN A 121 -29.967 -3.097 -0.330 1.00 0.00 H new ATOM 0 HG2 GLN A 121 -28.947 -4.183 -2.354 1.00 0.00 H new ATOM 0 HG3 GLN A 121 -27.717 -4.880 -1.319 1.00 0.00 H new ATOM 0 HE21 GLN A 121 -29.817 -6.251 -2.905 1.00 0.00 H new ATOM 0 HE22 GLN A 121 -30.703 -7.215 -1.718 1.00 0.00 H new ATOM 1869 N CYS A 122 -29.144 -0.006 -1.083 1.00 0.00 N ATOM 1870 CA CYS A 122 -29.799 1.236 -0.693 1.00 0.00 C ATOM 1871 C CYS A 122 -31.312 1.140 -0.864 1.00 0.00 C ATOM 1872 O CYS A 122 -31.814 1.027 -1.983 1.00 0.00 O ATOM 1873 CB CYS A 122 -29.262 2.397 -1.528 1.00 0.00 C ATOM 1874 SG CYS A 122 -28.030 3.421 -0.667 1.00 0.00 S ATOM 0 H CYS A 122 -29.026 -0.123 -2.089 1.00 0.00 H new ATOM 0 HA CYS A 122 -29.582 1.412 0.361 1.00 0.00 H new ATOM 0 HB2 CYS A 122 -28.816 1.999 -2.439 1.00 0.00 H new ATOM 0 HB3 CYS A 122 -30.097 3.029 -1.831 1.00 0.00 H new ATOM 1879 N GLU A 123 -32.035 1.182 0.251 1.00 0.00 N ATOM 1880 CA GLU A 123 -33.493 1.110 0.230 1.00 0.00 C ATOM 1881 C GLU A 123 -34.089 2.274 1.007 1.00 0.00 C ATOM 1882 O GLU A 123 -33.573 2.686 2.047 1.00 0.00 O ATOM 1883 CB GLU A 123 -33.971 -0.216 0.825 1.00 0.00 C ATOM 1884 CG GLU A 123 -35.485 -0.364 0.846 1.00 0.00 C ATOM 1885 CD GLU A 123 -35.934 -1.678 1.453 1.00 0.00 C ATOM 1886 OE1 GLU A 123 -35.984 -2.685 0.715 1.00 0.00 O ATOM 1887 OE2 GLU A 123 -36.235 -1.701 2.665 1.00 0.00 O ATOM 0 H GLU A 123 -31.633 1.266 1.185 1.00 0.00 H new ATOM 0 HA GLU A 123 -33.827 1.169 -0.806 1.00 0.00 H new ATOM 0 HB2 GLU A 123 -33.542 -1.038 0.251 1.00 0.00 H new ATOM 0 HB3 GLU A 123 -33.591 -0.306 1.843 1.00 0.00 H new ATOM 0 HG2 GLU A 123 -35.919 0.460 1.412 1.00 0.00 H new ATOM 0 HG3 GLU A 123 -35.868 -0.289 -0.172 1.00 0.00 H new ATOM 1894 N ILE A 124 -35.192 2.791 0.474 1.00 0.00 N ATOM 1895 CA ILE A 124 -35.887 3.926 1.062 1.00 0.00 C ATOM 1896 C ILE A 124 -36.441 3.592 2.444 1.00 0.00 C ATOM 1897 O ILE A 124 -36.903 2.477 2.688 1.00 0.00 O ATOM 1898 CB ILE A 124 -37.035 4.399 0.142 1.00 0.00 C ATOM 1899 CG1 ILE A 124 -37.622 5.719 0.649 1.00 0.00 C ATOM 1900 CG2 ILE A 124 -38.114 3.330 0.043 1.00 0.00 C ATOM 1901 CD1 ILE A 124 -38.693 6.298 -0.250 1.00 0.00 C ATOM 0 H ILE A 124 -35.627 2.434 -0.377 1.00 0.00 H new ATOM 0 HA ILE A 124 -35.158 4.729 1.171 1.00 0.00 H new ATOM 0 HB ILE A 124 -36.630 4.568 -0.856 1.00 0.00 H new ATOM 0 HG12 ILE A 124 -38.041 5.561 1.643 1.00 0.00 H new ATOM 0 HG13 ILE A 124 -36.817 6.447 0.755 1.00 0.00 H new ATOM 0 HG21 ILE A 124 -38.914 3.680 -0.609 1.00 0.00 H new ATOM 0 HG22 ILE A 124 -37.685 2.417 -0.368 1.00 0.00 H new ATOM 0 HG23 ILE A 124 -38.517 3.127 1.035 1.00 0.00 H new ATOM 0 HD11 ILE A 124 -39.060 7.232 0.176 1.00 0.00 H new ATOM 0 HD12 ILE A 124 -38.274 6.489 -1.238 1.00 0.00 H new ATOM 0 HD13 ILE A 124 -39.517 5.590 -0.336 1.00 0.00 H new ATOM 1913 N LEU A 125 -36.382 4.568 3.346 1.00 0.00 N ATOM 1914 CA LEU A 125 -36.876 4.387 4.706 1.00 0.00 C ATOM 1915 C LEU A 125 -38.374 4.105 4.702 1.00 0.00 C ATOM 1916 O LEU A 125 -38.871 3.313 5.504 1.00 0.00 O ATOM 1917 CB LEU A 125 -36.582 5.633 5.548 1.00 0.00 C ATOM 1918 CG LEU A 125 -35.121 6.096 5.539 1.00 0.00 C ATOM 1919 CD1 LEU A 125 -34.990 7.451 6.219 1.00 0.00 C ATOM 1920 CD2 LEU A 125 -34.226 5.069 6.217 1.00 0.00 C ATOM 0 H LEU A 125 -35.996 5.493 3.158 1.00 0.00 H new ATOM 0 HA LEU A 125 -36.362 3.532 5.145 1.00 0.00 H new ATOM 0 HB2 LEU A 125 -37.208 6.450 5.189 1.00 0.00 H new ATOM 0 HB3 LEU A 125 -36.877 5.434 6.578 1.00 0.00 H new ATOM 0 HG LEU A 125 -34.799 6.196 4.502 1.00 0.00 H new ATOM 0 HD11 LEU A 125 -33.947 7.766 6.204 1.00 0.00 H new ATOM 0 HD12 LEU A 125 -35.598 8.184 5.689 1.00 0.00 H new ATOM 0 HD13 LEU A 125 -35.332 7.375 7.251 1.00 0.00 H new ATOM 0 HD21 LEU A 125 -33.194 5.418 6.199 1.00 0.00 H new ATOM 0 HD22 LEU A 125 -34.546 4.934 7.250 1.00 0.00 H new ATOM 0 HD23 LEU A 125 -34.297 4.119 5.688 1.00 0.00 H new