USER MOD reduce.3.24.130724 H: found=0, std=0, add=1000, rem=0, adj=37 USER MOD reduce.3.24.130724 removed 1000 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 129 HIS : no HD1:sc= -0.5 K(o=-1.4,f=-3!) USER MOD Set 1.2: A 131 HIS : no HD1:sc= -0.885 K(o=-1.4,f=-3.9) USER MOD Set 2.1: A 101 SER OG : rot -95:sc= 0.279 USER MOD Set 2.2: A 103 THR OG1 : rot 180:sc= 0 USER MOD Set 3.1: A 80 THR OG1 : rot -130:sc= 0.0226 USER MOD Set 3.2: A 86 SER OG : rot 177:sc= 0.0232 USER MOD Set 4.1: A 28 THR OG1 : rot 180:sc= 0.108 USER MOD Set 4.2: A 47 THR OG1 : rot -85:sc= 0.136 USER MOD Set 5.1: A 41 HIS : no HD1:sc= -0.36 K(o=-4.4,f=-3.8) USER MOD Set 5.2: A 44 GLN : amide:sc= -4.03! C(o=-4.4!,f=-3.8!) USER MOD Single : A 0 MET CE :methyl 140:sc= -0.208 (180deg=-0.996) USER MOD Single : A 0 MET N :NH3+ 160:sc= 1.42 (180deg=0.821) USER MOD Single : A 1 ASN : amide:sc= -8.54! K(o=-8.5!,f=-2.2) 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 180:sc= 0 (180deg=0) USER MOD Single : A 17 THR OG1 : rot 47:sc= 0.21 USER MOD Single : A 19 THR OG1 : rot 180:sc= -0.057 USER MOD Single : A 21 THR OG1 : rot 180:sc= 0.00233 USER MOD Single : A 24 LYS NZ :NH3+ 162:sc= -0.059 (180deg=-0.43) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0.044 USER MOD Single : A 27 THR OG1 : rot 150:sc= 0 USER MOD Single : A 30 LYS NZ :NH3+ -159:sc= -0.0983 (180deg=-0.49) USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 THR OG1 : rot 180:sc= -0.298 USER MOD Single : A 37 TYR OH : rot 150:sc= 0 USER MOD Single : A 40 SER OG : rot -32:sc= 0.416 USER MOD Single : A 42 SER OG : rot -26:sc= 0.228 USER MOD Single : A 43 THR OG1 : rot 180:sc= -0.187 USER MOD Single : A 45 THR OG1 : rot 180:sc= -1.38 USER MOD Single : A 49 ASN : amide:sc= -15! C(o=-15!,f=-14!) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 56 TYR OH : rot 180:sc=-0.00813 USER MOD Single : A 57 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 LYS NZ :NH3+ -123:sc= -0.27 (180deg=-3!) USER MOD Single : A 67 HIS : no HE2:sc= -1.97 K(o=-2,f=-5.4!) USER MOD Single : A 73 ASN : amide:sc= -4.09! C(o=-4.1!,f=-1.8!) USER MOD Single : A 75 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 79 LYS NZ :NH3+ -128:sc= -0.739 (180deg=-5.99!) USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 87 GLN : amide:sc= -9.34! C(o=-9.3!,f=-17!) USER MOD Single : A 91 SER OG : rot -11:sc= 0.86 USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 102 THR OG1 : rot 180:sc= 0 USER MOD Single : A 104 SER OG : rot -92:sc= 0.807 USER MOD Single : A 109 GLN : amide:sc= 0 X(o=0,f=-0.43) USER MOD Single : A 116 SER OG : rot 140:sc= -0.0205 USER MOD Single : A 117 HIS : no HD1:sc= -0.516 X(o=-0.52,f=-0.58) USER MOD Single : A 121 GLN : amide:sc= -0.215 K(o=-0.22,f=-0.87) USER MOD Single : A 127 HIS : no HD1:sc= -1.32 X(o=-1.3,f=-1.1) USER MOD Single : A 128 HIS : no HD1:sc= -1.38 K(o=-1.4,f=0.4) USER MOD Single : A 130 HIS : no HD1:sc= -0.237 X(o=-0.24,f=0) USER MOD Single : A 132 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 0 33.196 -3.367 1.089 1.00 0.00 N ATOM 2 CA MET A 0 33.645 -2.196 0.292 1.00 0.00 C ATOM 3 C MET A 0 32.453 -1.367 -0.173 1.00 0.00 C ATOM 4 O MET A 0 31.344 -1.882 -0.314 1.00 0.00 O ATOM 5 CB MET A 0 34.460 -2.656 -0.921 1.00 0.00 C ATOM 6 CG MET A 0 35.819 -3.242 -0.565 1.00 0.00 C ATOM 7 SD MET A 0 35.699 -4.821 0.297 1.00 0.00 S ATOM 8 CE MET A 0 34.867 -5.819 -0.935 1.00 0.00 C ATOM 0 H1 MET A 0 33.949 -4.084 1.108 1.00 0.00 H new ATOM 0 H2 MET A 0 32.982 -3.064 2.061 1.00 0.00 H new ATOM 0 H3 MET A 0 32.342 -3.774 0.657 1.00 0.00 H new ATOM 0 HA MET A 0 34.274 -1.576 0.930 1.00 0.00 H new ATOM 0 HB2 MET A 0 33.886 -3.402 -1.470 1.00 0.00 H new ATOM 0 HB3 MET A 0 34.605 -1.809 -1.591 1.00 0.00 H new ATOM 0 HG2 MET A 0 36.402 -3.375 -1.477 1.00 0.00 H new ATOM 0 HG3 MET A 0 36.362 -2.533 0.060 1.00 0.00 H new ATOM 0 HE1 MET A 0 35.300 -6.819 -0.946 1.00 0.00 H new ATOM 0 HE2 MET A 0 33.806 -5.885 -0.694 1.00 0.00 H new ATOM 0 HE3 MET A 0 34.988 -5.361 -1.917 1.00 0.00 H new ATOM 20 N ASN A 1 32.690 -0.080 -0.409 1.00 0.00 N ATOM 21 CA ASN A 1 31.637 0.826 -0.857 1.00 0.00 C ATOM 22 C ASN A 1 30.988 0.327 -2.143 1.00 0.00 C ATOM 23 O ASN A 1 31.663 -0.197 -3.030 1.00 0.00 O ATOM 24 CB ASN A 1 32.202 2.233 -1.063 1.00 0.00 C ATOM 25 CG ASN A 1 32.136 3.064 0.202 1.00 0.00 C ATOM 26 OD1 ASN A 1 33.082 3.102 0.989 1.00 0.00 O ATOM 27 ND2 ASN A 1 31.008 3.733 0.401 1.00 0.00 N ATOM 0 H ASN A 1 33.604 0.360 -0.297 1.00 0.00 H new ATOM 0 HA ASN A 1 30.870 0.859 -0.083 1.00 0.00 H new ATOM 0 HB2 ASN A 1 33.237 2.162 -1.396 1.00 0.00 H new ATOM 0 HB3 ASN A 1 31.646 2.734 -1.855 1.00 0.00 H new ATOM 0 HD21 ASN A 1 30.898 4.310 1.235 1.00 0.00 H new ATOM 0 HD22 ASN A 1 30.251 3.670 -0.280 1.00 0.00 H new ATOM 34 N CYS A 2 29.670 0.491 -2.237 1.00 0.00 N ATOM 35 CA CYS A 2 28.926 0.052 -3.411 1.00 0.00 C ATOM 36 C CYS A 2 28.781 1.180 -4.426 1.00 0.00 C ATOM 37 O CYS A 2 29.326 2.266 -4.242 1.00 0.00 O ATOM 38 CB CYS A 2 27.542 -0.452 -3.005 1.00 0.00 C ATOM 39 SG CYS A 2 27.550 -1.597 -1.590 1.00 0.00 S ATOM 0 H CYS A 2 29.097 0.925 -1.513 1.00 0.00 H new ATOM 0 HA CYS A 2 29.486 -0.760 -3.874 1.00 0.00 H new ATOM 0 HB2 CYS A 2 26.913 0.404 -2.762 1.00 0.00 H new ATOM 0 HB3 CYS A 2 27.084 -0.951 -3.859 1.00 0.00 H new ATOM 44 N GLY A 3 28.043 0.910 -5.497 1.00 0.00 N ATOM 45 CA GLY A 3 27.807 1.921 -6.509 1.00 0.00 C ATOM 46 C GLY A 3 26.594 2.773 -6.168 1.00 0.00 C ATOM 47 O GLY A 3 25.798 2.390 -5.310 1.00 0.00 O ATOM 0 H GLY A 3 27.604 0.008 -5.682 1.00 0.00 H new ATOM 0 HA2 GLY A 3 28.687 2.558 -6.602 1.00 0.00 H new ATOM 0 HA3 GLY A 3 27.657 1.442 -7.476 1.00 0.00 H new ATOM 51 N PRO A 4 26.425 3.939 -6.819 1.00 0.00 N ATOM 52 CA PRO A 4 25.290 4.836 -6.565 1.00 0.00 C ATOM 53 C PRO A 4 23.968 4.083 -6.399 1.00 0.00 C ATOM 54 O PRO A 4 23.608 3.250 -7.231 1.00 0.00 O ATOM 55 CB PRO A 4 25.277 5.712 -7.814 1.00 0.00 C ATOM 56 CG PRO A 4 26.718 5.824 -8.179 1.00 0.00 C ATOM 57 CD PRO A 4 27.328 4.483 -7.855 1.00 0.00 C ATOM 0 HA PRO A 4 25.395 5.393 -5.634 1.00 0.00 H new ATOM 0 HB2 PRO A 4 24.694 5.258 -8.616 1.00 0.00 H new ATOM 0 HB3 PRO A 4 24.837 6.689 -7.614 1.00 0.00 H new ATOM 0 HG2 PRO A 4 26.836 6.063 -9.236 1.00 0.00 H new ATOM 0 HG3 PRO A 4 27.203 6.621 -7.616 1.00 0.00 H new ATOM 0 HD2 PRO A 4 27.369 3.837 -8.732 1.00 0.00 H new ATOM 0 HD3 PRO A 4 28.349 4.584 -7.486 1.00 0.00 H new ATOM 65 N PRO A 5 23.228 4.376 -5.311 1.00 0.00 N ATOM 66 CA PRO A 5 21.948 3.723 -5.008 1.00 0.00 C ATOM 67 C PRO A 5 20.980 3.698 -6.187 1.00 0.00 C ATOM 68 O PRO A 5 20.581 4.745 -6.700 1.00 0.00 O ATOM 69 CB PRO A 5 21.377 4.574 -3.876 1.00 0.00 C ATOM 70 CG PRO A 5 22.574 5.134 -3.196 1.00 0.00 C ATOM 71 CD PRO A 5 23.584 5.374 -4.283 1.00 0.00 C ATOM 0 HA PRO A 5 22.094 2.673 -4.755 1.00 0.00 H new ATOM 0 HB2 PRO A 5 20.732 5.364 -4.259 1.00 0.00 H new ATOM 0 HB3 PRO A 5 20.776 3.975 -3.193 1.00 0.00 H new ATOM 0 HG2 PRO A 5 22.331 6.060 -2.676 1.00 0.00 H new ATOM 0 HG3 PRO A 5 22.960 4.441 -2.449 1.00 0.00 H new ATOM 0 HD2 PRO A 5 23.521 6.390 -4.672 1.00 0.00 H new ATOM 0 HD3 PRO A 5 24.603 5.233 -3.922 1.00 0.00 H new ATOM 79 N PRO A 6 20.595 2.488 -6.629 1.00 0.00 N ATOM 80 CA PRO A 6 19.649 2.307 -7.736 1.00 0.00 C ATOM 81 C PRO A 6 18.271 2.847 -7.388 1.00 0.00 C ATOM 82 O PRO A 6 18.029 3.369 -6.299 1.00 0.00 O ATOM 83 CB PRO A 6 19.574 0.786 -7.909 1.00 0.00 C ATOM 84 CG PRO A 6 20.081 0.212 -6.631 1.00 0.00 C ATOM 85 CD PRO A 6 21.063 1.203 -6.083 1.00 0.00 C ATOM 0 HA PRO A 6 19.969 2.837 -8.633 1.00 0.00 H new ATOM 0 HB2 PRO A 6 18.551 0.464 -8.105 1.00 0.00 H new ATOM 0 HB3 PRO A 6 20.179 0.457 -8.754 1.00 0.00 H new ATOM 0 HG2 PRO A 6 19.264 0.046 -5.929 1.00 0.00 H new ATOM 0 HG3 PRO A 6 20.557 -0.754 -6.801 1.00 0.00 H new ATOM 0 HD2 PRO A 6 21.064 1.206 -4.993 1.00 0.00 H new ATOM 0 HD3 PRO A 6 22.081 0.978 -6.402 1.00 0.00 H new ATOM 93 N THR A 7 17.377 2.694 -8.362 1.00 0.00 N ATOM 94 CA THR A 7 15.998 3.143 -8.244 1.00 0.00 C ATOM 95 C THR A 7 15.093 1.964 -7.913 1.00 0.00 C ATOM 96 O THR A 7 15.168 0.919 -8.558 1.00 0.00 O ATOM 97 CB THR A 7 15.512 3.801 -9.551 1.00 0.00 C ATOM 98 OG1 THR A 7 16.395 4.866 -9.924 1.00 0.00 O ATOM 99 CG2 THR A 7 14.099 4.342 -9.394 1.00 0.00 C ATOM 0 H THR A 7 17.592 2.254 -9.256 1.00 0.00 H new ATOM 0 HA THR A 7 15.955 3.881 -7.443 1.00 0.00 H new ATOM 0 HB THR A 7 15.509 3.041 -10.332 1.00 0.00 H new ATOM 0 HG1 THR A 7 16.079 5.277 -10.756 1.00 0.00 H new ATOM 0 HG21 THR A 7 13.779 4.801 -10.329 1.00 0.00 H new ATOM 0 HG22 THR A 7 13.423 3.525 -9.141 1.00 0.00 H new ATOM 0 HG23 THR A 7 14.081 5.088 -8.599 1.00 0.00 H new ATOM 107 N LEU A 8 14.241 2.127 -6.912 1.00 0.00 N ATOM 108 CA LEU A 8 13.333 1.064 -6.518 1.00 0.00 C ATOM 109 C LEU A 8 11.883 1.410 -6.833 1.00 0.00 C ATOM 110 O LEU A 8 11.590 2.418 -7.477 1.00 0.00 O ATOM 111 CB LEU A 8 13.487 0.777 -5.026 1.00 0.00 C ATOM 112 CG LEU A 8 14.904 0.407 -4.588 1.00 0.00 C ATOM 113 CD1 LEU A 8 15.760 1.652 -4.414 1.00 0.00 C ATOM 114 CD2 LEU A 8 14.871 -0.400 -3.301 1.00 0.00 C ATOM 0 H LEU A 8 14.160 2.981 -6.361 1.00 0.00 H new ATOM 0 HA LEU A 8 13.593 0.175 -7.093 1.00 0.00 H new ATOM 0 HB2 LEU A 8 13.166 1.656 -4.466 1.00 0.00 H new ATOM 0 HB3 LEU A 8 12.814 -0.036 -4.755 1.00 0.00 H new ATOM 0 HG LEU A 8 15.351 -0.207 -5.370 1.00 0.00 H new ATOM 0 HD11 LEU A 8 16.764 1.363 -4.102 1.00 0.00 H new ATOM 0 HD12 LEU A 8 15.815 2.191 -5.360 1.00 0.00 H new ATOM 0 HD13 LEU A 8 15.316 2.296 -3.655 1.00 0.00 H new ATOM 0 HD21 LEU A 8 15.889 -0.654 -3.005 1.00 0.00 H new ATOM 0 HD22 LEU A 8 14.400 0.189 -2.514 1.00 0.00 H new ATOM 0 HD23 LEU A 8 14.300 -1.315 -3.460 1.00 0.00 H new ATOM 126 N SER A 9 10.986 0.553 -6.365 1.00 0.00 N ATOM 127 CA SER A 9 9.558 0.747 -6.579 1.00 0.00 C ATOM 128 C SER A 9 8.796 0.615 -5.268 1.00 0.00 C ATOM 129 O SER A 9 7.890 1.396 -4.982 1.00 0.00 O ATOM 130 CB SER A 9 9.035 -0.270 -7.596 1.00 0.00 C ATOM 131 OG SER A 9 9.746 -0.178 -8.818 1.00 0.00 O ATOM 0 H SER A 9 11.222 -0.285 -5.834 1.00 0.00 H new ATOM 0 HA SER A 9 9.401 1.752 -6.970 1.00 0.00 H new ATOM 0 HB2 SER A 9 9.131 -1.277 -7.190 1.00 0.00 H new ATOM 0 HB3 SER A 9 7.974 -0.098 -7.775 1.00 0.00 H new ATOM 0 HG SER A 9 9.395 -0.839 -9.451 1.00 0.00 H new ATOM 137 N PHE A 10 9.177 -0.378 -4.473 1.00 0.00 N ATOM 138 CA PHE A 10 8.530 -0.618 -3.191 1.00 0.00 C ATOM 139 C PHE A 10 8.843 0.507 -2.212 1.00 0.00 C ATOM 140 O PHE A 10 8.175 0.653 -1.188 1.00 0.00 O ATOM 141 CB PHE A 10 8.987 -1.956 -2.595 1.00 0.00 C ATOM 142 CG PHE A 10 9.594 -2.897 -3.597 1.00 0.00 C ATOM 143 CD1 PHE A 10 8.795 -3.721 -4.373 1.00 0.00 C ATOM 144 CD2 PHE A 10 10.969 -2.957 -3.761 1.00 0.00 C ATOM 145 CE1 PHE A 10 9.355 -4.586 -5.294 1.00 0.00 C ATOM 146 CE2 PHE A 10 11.535 -3.820 -4.679 1.00 0.00 C ATOM 147 CZ PHE A 10 10.727 -4.636 -5.447 1.00 0.00 C ATOM 0 H PHE A 10 9.930 -1.029 -4.694 1.00 0.00 H new ATOM 0 HA PHE A 10 7.454 -0.653 -3.362 1.00 0.00 H new ATOM 0 HB2 PHE A 10 9.715 -1.761 -1.808 1.00 0.00 H new ATOM 0 HB3 PHE A 10 8.133 -2.443 -2.126 1.00 0.00 H new ATOM 0 HD1 PHE A 10 7.722 -3.687 -4.257 1.00 0.00 H new ATOM 0 HD2 PHE A 10 11.606 -2.321 -3.164 1.00 0.00 H new ATOM 0 HE1 PHE A 10 8.721 -5.222 -5.893 1.00 0.00 H new ATOM 0 HE2 PHE A 10 12.608 -3.857 -4.796 1.00 0.00 H new ATOM 0 HZ PHE A 10 11.167 -5.312 -6.166 1.00 0.00 H new ATOM 157 N ALA A 11 9.863 1.301 -2.532 1.00 0.00 N ATOM 158 CA ALA A 11 10.264 2.400 -1.663 1.00 0.00 C ATOM 159 C ALA A 11 10.851 3.575 -2.438 1.00 0.00 C ATOM 160 O ALA A 11 11.306 3.447 -3.574 1.00 0.00 O ATOM 161 CB ALA A 11 11.289 1.903 -0.659 1.00 0.00 C ATOM 0 H ALA A 11 10.421 1.204 -3.380 1.00 0.00 H new ATOM 0 HA ALA A 11 9.367 2.756 -1.156 1.00 0.00 H new ATOM 0 HB1 ALA A 11 11.589 2.725 -0.009 1.00 0.00 H new ATOM 0 HB2 ALA A 11 10.852 1.105 -0.058 1.00 0.00 H new ATOM 0 HB3 ALA A 11 12.162 1.522 -1.189 1.00 0.00 H new ATOM 167 N ALA A 12 10.819 4.724 -1.768 1.00 0.00 N ATOM 168 CA ALA A 12 11.397 5.942 -2.323 1.00 0.00 C ATOM 169 C ALA A 12 12.330 6.608 -1.313 1.00 0.00 C ATOM 170 O ALA A 12 12.092 6.544 -0.109 1.00 0.00 O ATOM 171 CB ALA A 12 10.295 6.903 -2.744 1.00 0.00 C ATOM 0 H ALA A 12 10.401 4.836 -0.844 1.00 0.00 H new ATOM 0 HA ALA A 12 11.983 5.675 -3.202 1.00 0.00 H new ATOM 0 HB1 ALA A 12 10.740 7.808 -3.157 1.00 0.00 H new ATOM 0 HB2 ALA A 12 9.668 6.429 -3.500 1.00 0.00 H new ATOM 0 HB3 ALA A 12 9.686 7.160 -1.877 1.00 0.00 H new ATOM 177 N PRO A 13 13.407 7.261 -1.791 1.00 0.00 N ATOM 178 CA PRO A 13 14.374 7.932 -0.916 1.00 0.00 C ATOM 179 C PRO A 13 13.696 8.769 0.162 1.00 0.00 C ATOM 180 O PRO A 13 12.679 9.420 -0.086 1.00 0.00 O ATOM 181 CB PRO A 13 15.149 8.830 -1.877 1.00 0.00 C ATOM 182 CG PRO A 13 15.079 8.130 -3.190 1.00 0.00 C ATOM 183 CD PRO A 13 13.759 7.404 -3.216 1.00 0.00 C ATOM 0 HA PRO A 13 14.998 7.221 -0.374 1.00 0.00 H new ATOM 0 HB2 PRO A 13 14.706 9.824 -1.934 1.00 0.00 H new ATOM 0 HB3 PRO A 13 16.181 8.960 -1.552 1.00 0.00 H new ATOM 0 HG2 PRO A 13 15.147 8.841 -4.013 1.00 0.00 H new ATOM 0 HG3 PRO A 13 15.908 7.432 -3.302 1.00 0.00 H new ATOM 0 HD2 PRO A 13 13.002 7.969 -3.760 1.00 0.00 H new ATOM 0 HD3 PRO A 13 13.846 6.434 -3.706 1.00 0.00 H new ATOM 191 N MET A 14 14.274 8.747 1.362 1.00 0.00 N ATOM 192 CA MET A 14 13.727 9.499 2.485 1.00 0.00 C ATOM 193 C MET A 14 14.836 10.026 3.390 1.00 0.00 C ATOM 194 O MET A 14 14.598 10.844 4.277 1.00 0.00 O ATOM 195 CB MET A 14 12.769 8.621 3.293 1.00 0.00 C ATOM 196 CG MET A 14 11.970 9.394 4.330 1.00 0.00 C ATOM 197 SD MET A 14 10.944 10.680 3.592 1.00 0.00 S ATOM 198 CE MET A 14 10.380 11.545 5.054 1.00 0.00 C ATOM 0 H MET A 14 15.118 8.218 1.579 1.00 0.00 H new ATOM 0 HA MET A 14 13.181 10.352 2.082 1.00 0.00 H new ATOM 0 HB2 MET A 14 12.080 8.125 2.610 1.00 0.00 H new ATOM 0 HB3 MET A 14 13.340 7.839 3.794 1.00 0.00 H new ATOM 0 HG2 MET A 14 11.337 8.702 4.886 1.00 0.00 H new ATOM 0 HG3 MET A 14 12.654 9.847 5.048 1.00 0.00 H new ATOM 0 HE1 MET A 14 9.732 12.371 4.761 1.00 0.00 H new ATOM 0 HE2 MET A 14 9.825 10.857 5.692 1.00 0.00 H new ATOM 0 HE3 MET A 14 11.239 11.934 5.601 1.00 0.00 H new ATOM 208 N ASP A 15 16.052 9.546 3.150 1.00 0.00 N ATOM 209 CA ASP A 15 17.215 9.961 3.925 1.00 0.00 C ATOM 210 C ASP A 15 18.438 10.060 3.018 1.00 0.00 C ATOM 211 O ASP A 15 18.567 11.017 2.254 1.00 0.00 O ATOM 212 CB ASP A 15 17.473 8.982 5.074 1.00 0.00 C ATOM 213 CG ASP A 15 18.648 9.400 5.938 1.00 0.00 C ATOM 214 OD1 ASP A 15 18.482 10.331 6.754 1.00 0.00 O ATOM 215 OD2 ASP A 15 19.733 8.799 5.797 1.00 0.00 O ATOM 0 H ASP A 15 16.258 8.864 2.420 1.00 0.00 H new ATOM 0 HA ASP A 15 17.018 10.943 4.355 1.00 0.00 H new ATOM 0 HB2 ASP A 15 16.579 8.909 5.693 1.00 0.00 H new ATOM 0 HB3 ASP A 15 17.661 7.989 4.666 1.00 0.00 H new ATOM 220 N ILE A 16 19.323 9.065 3.104 1.00 0.00 N ATOM 221 CA ILE A 16 20.533 9.014 2.287 1.00 0.00 C ATOM 222 C ILE A 16 21.111 10.398 2.049 1.00 0.00 C ATOM 223 O ILE A 16 20.784 11.060 1.065 1.00 0.00 O ATOM 224 CB ILE A 16 20.293 8.321 0.924 1.00 0.00 C ATOM 225 CG1 ILE A 16 21.484 8.545 -0.015 1.00 0.00 C ATOM 226 CG2 ILE A 16 19.002 8.812 0.281 1.00 0.00 C ATOM 227 CD1 ILE A 16 21.336 7.869 -1.360 1.00 0.00 C ATOM 0 H ILE A 16 19.220 8.275 3.741 1.00 0.00 H new ATOM 0 HA ILE A 16 21.250 8.421 2.855 1.00 0.00 H new ATOM 0 HB ILE A 16 20.194 7.250 1.104 1.00 0.00 H new ATOM 0 HG12 ILE A 16 21.617 9.616 -0.170 1.00 0.00 H new ATOM 0 HG13 ILE A 16 22.390 8.178 0.468 1.00 0.00 H new ATOM 0 HG21 ILE A 16 18.858 8.309 -0.675 1.00 0.00 H new ATOM 0 HG22 ILE A 16 18.161 8.590 0.938 1.00 0.00 H new ATOM 0 HG23 ILE A 16 19.062 9.888 0.119 1.00 0.00 H new ATOM 0 HD11 ILE A 16 22.217 8.073 -1.969 1.00 0.00 H new ATOM 0 HD12 ILE A 16 21.235 6.793 -1.217 1.00 0.00 H new ATOM 0 HD13 ILE A 16 20.450 8.253 -1.865 1.00 0.00 H new ATOM 239 N THR A 17 21.948 10.845 2.969 1.00 0.00 N ATOM 240 CA THR A 17 22.582 12.145 2.826 1.00 0.00 C ATOM 241 C THR A 17 23.263 12.243 1.472 1.00 0.00 C ATOM 242 O THR A 17 24.318 11.650 1.257 1.00 0.00 O ATOM 243 CB THR A 17 23.628 12.404 3.920 1.00 0.00 C ATOM 244 OG1 THR A 17 24.445 11.242 4.104 1.00 0.00 O ATOM 245 CG2 THR A 17 22.963 12.780 5.235 1.00 0.00 C ATOM 0 H THR A 17 22.203 10.334 3.814 1.00 0.00 H new ATOM 0 HA THR A 17 21.796 12.895 2.917 1.00 0.00 H new ATOM 0 HB THR A 17 24.252 13.238 3.600 1.00 0.00 H new ATOM 0 HG1 THR A 17 24.734 10.904 3.231 1.00 0.00 H new ATOM 0 HG21 THR A 17 23.727 12.958 5.992 1.00 0.00 H new ATOM 0 HG22 THR A 17 22.371 13.685 5.098 1.00 0.00 H new ATOM 0 HG23 THR A 17 22.313 11.967 5.560 1.00 0.00 H new ATOM 253 N LEU A 18 22.649 12.984 0.561 1.00 0.00 N ATOM 254 CA LEU A 18 23.190 13.146 -0.771 1.00 0.00 C ATOM 255 C LEU A 18 24.480 13.955 -0.734 1.00 0.00 C ATOM 256 O LEU A 18 24.491 15.144 -1.057 1.00 0.00 O ATOM 257 CB LEU A 18 22.168 13.828 -1.676 1.00 0.00 C ATOM 258 CG LEU A 18 21.275 12.879 -2.481 1.00 0.00 C ATOM 259 CD1 LEU A 18 22.119 11.858 -3.232 1.00 0.00 C ATOM 260 CD2 LEU A 18 20.279 12.183 -1.567 1.00 0.00 C ATOM 0 H LEU A 18 21.774 13.482 0.725 1.00 0.00 H new ATOM 0 HA LEU A 18 23.414 12.158 -1.173 1.00 0.00 H new ATOM 0 HB2 LEU A 18 21.532 14.467 -1.063 1.00 0.00 H new ATOM 0 HB3 LEU A 18 22.699 14.479 -2.371 1.00 0.00 H new ATOM 0 HG LEU A 18 20.719 13.466 -3.212 1.00 0.00 H new ATOM 0 HD11 LEU A 18 21.467 11.193 -3.798 1.00 0.00 H new ATOM 0 HD12 LEU A 18 22.792 12.375 -3.916 1.00 0.00 H new ATOM 0 HD13 LEU A 18 22.703 11.275 -2.520 1.00 0.00 H new ATOM 0 HD21 LEU A 18 19.652 11.512 -2.155 1.00 0.00 H new ATOM 0 HD22 LEU A 18 20.817 11.609 -0.813 1.00 0.00 H new ATOM 0 HD23 LEU A 18 19.653 12.928 -1.077 1.00 0.00 H new ATOM 272 N THR A 19 25.563 13.305 -0.330 1.00 0.00 N ATOM 273 CA THR A 19 26.861 13.958 -0.239 1.00 0.00 C ATOM 274 C THR A 19 27.967 12.995 -0.646 1.00 0.00 C ATOM 275 O THR A 19 29.123 13.385 -0.809 1.00 0.00 O ATOM 276 CB THR A 19 27.130 14.463 1.192 1.00 0.00 C ATOM 277 OG1 THR A 19 27.387 13.355 2.062 1.00 0.00 O ATOM 278 CG2 THR A 19 25.942 15.255 1.721 1.00 0.00 C ATOM 0 H THR A 19 25.568 12.322 -0.059 1.00 0.00 H new ATOM 0 HA THR A 19 26.850 14.811 -0.917 1.00 0.00 H new ATOM 0 HB THR A 19 28.002 15.117 1.162 1.00 0.00 H new ATOM 0 HG1 THR A 19 27.559 13.684 2.969 1.00 0.00 H new ATOM 0 HG21 THR A 19 26.156 15.600 2.732 1.00 0.00 H new ATOM 0 HG22 THR A 19 25.761 16.114 1.075 1.00 0.00 H new ATOM 0 HG23 THR A 19 25.057 14.618 1.735 1.00 0.00 H new ATOM 286 N GLU A 20 27.595 11.729 -0.805 1.00 0.00 N ATOM 287 CA GLU A 20 28.537 10.689 -1.194 1.00 0.00 C ATOM 288 C GLU A 20 27.923 9.792 -2.265 1.00 0.00 C ATOM 289 O GLU A 20 26.786 9.344 -2.131 1.00 0.00 O ATOM 290 CB GLU A 20 28.934 9.853 0.024 1.00 0.00 C ATOM 291 CG GLU A 20 29.522 10.673 1.161 1.00 0.00 C ATOM 292 CD GLU A 20 30.086 9.810 2.273 1.00 0.00 C ATOM 293 OE1 GLU A 20 29.302 9.371 3.142 1.00 0.00 O ATOM 294 OE2 GLU A 20 31.312 9.572 2.275 1.00 0.00 O ATOM 0 H GLU A 20 26.640 11.398 -0.669 1.00 0.00 H new ATOM 0 HA GLU A 20 29.429 11.164 -1.602 1.00 0.00 H new ATOM 0 HB2 GLU A 20 28.057 9.319 0.389 1.00 0.00 H new ATOM 0 HB3 GLU A 20 29.660 9.101 -0.284 1.00 0.00 H new ATOM 0 HG2 GLU A 20 30.311 11.316 0.770 1.00 0.00 H new ATOM 0 HG3 GLU A 20 28.751 11.326 1.569 1.00 0.00 H new ATOM 301 N THR A 21 28.679 9.534 -3.327 1.00 0.00 N ATOM 302 CA THR A 21 28.196 8.692 -4.416 1.00 0.00 C ATOM 303 C THR A 21 28.320 7.215 -4.063 1.00 0.00 C ATOM 304 O THR A 21 27.789 6.351 -4.762 1.00 0.00 O ATOM 305 CB THR A 21 28.973 8.955 -5.716 1.00 0.00 C ATOM 306 OG1 THR A 21 29.442 10.308 -5.744 1.00 0.00 O ATOM 307 CG2 THR A 21 28.095 8.696 -6.930 1.00 0.00 C ATOM 0 H THR A 21 29.625 9.894 -3.457 1.00 0.00 H new ATOM 0 HA THR A 21 27.147 8.945 -4.567 1.00 0.00 H new ATOM 0 HB THR A 21 29.824 8.275 -5.747 1.00 0.00 H new ATOM 0 HG1 THR A 21 29.937 10.465 -6.575 1.00 0.00 H new ATOM 0 HG21 THR A 21 28.665 8.888 -7.839 1.00 0.00 H new ATOM 0 HG22 THR A 21 27.762 7.658 -6.923 1.00 0.00 H new ATOM 0 HG23 THR A 21 27.228 9.356 -6.899 1.00 0.00 H new ATOM 315 N ARG A 22 29.025 6.932 -2.974 1.00 0.00 N ATOM 316 CA ARG A 22 29.228 5.560 -2.523 1.00 0.00 C ATOM 317 C ARG A 22 28.764 5.397 -1.080 1.00 0.00 C ATOM 318 O ARG A 22 28.650 6.381 -0.347 1.00 0.00 O ATOM 319 CB ARG A 22 30.698 5.182 -2.637 1.00 0.00 C ATOM 320 CG ARG A 22 31.231 5.256 -4.059 1.00 0.00 C ATOM 321 CD ARG A 22 32.703 4.888 -4.123 1.00 0.00 C ATOM 322 NE ARG A 22 33.539 5.843 -3.402 1.00 0.00 N ATOM 323 CZ ARG A 22 34.844 5.682 -3.209 1.00 0.00 C ATOM 324 NH1 ARG A 22 35.458 4.603 -3.677 1.00 0.00 N ATOM 325 NH2 ARG A 22 35.536 6.601 -2.549 1.00 0.00 N ATOM 0 H ARG A 22 29.467 7.637 -2.385 1.00 0.00 H new ATOM 0 HA ARG A 22 28.638 4.899 -3.158 1.00 0.00 H new ATOM 0 HB2 ARG A 22 31.286 5.844 -2.001 1.00 0.00 H new ATOM 0 HB3 ARG A 22 30.836 4.170 -2.257 1.00 0.00 H new ATOM 0 HG2 ARG A 22 30.659 4.584 -4.698 1.00 0.00 H new ATOM 0 HG3 ARG A 22 31.090 6.264 -4.449 1.00 0.00 H new ATOM 0 HD2 ARG A 22 32.846 3.892 -3.703 1.00 0.00 H new ATOM 0 HD3 ARG A 22 33.020 4.843 -5.165 1.00 0.00 H new ATOM 0 HE ARG A 22 33.097 6.681 -3.025 1.00 0.00 H new ATOM 0 HH11 ARG A 22 34.928 3.895 -4.186 1.00 0.00 H new ATOM 0 HH12 ARG A 22 36.460 4.481 -3.528 1.00 0.00 H new ATOM 0 HH21 ARG A 22 35.067 7.432 -2.189 1.00 0.00 H new ATOM 0 HH22 ARG A 22 36.538 6.477 -2.401 1.00 0.00 H new ATOM 339 N PHE A 23 28.499 4.158 -0.665 1.00 0.00 N ATOM 340 CA PHE A 23 28.040 3.874 0.693 1.00 0.00 C ATOM 341 C PHE A 23 28.589 2.524 1.162 1.00 0.00 C ATOM 342 O PHE A 23 28.246 1.480 0.610 1.00 0.00 O ATOM 343 CB PHE A 23 26.509 3.880 0.741 1.00 0.00 C ATOM 344 CG PHE A 23 25.900 5.132 0.179 1.00 0.00 C ATOM 345 CD1 PHE A 23 25.825 5.319 -1.190 1.00 0.00 C ATOM 346 CD2 PHE A 23 25.416 6.125 1.014 1.00 0.00 C ATOM 347 CE1 PHE A 23 25.284 6.471 -1.717 1.00 0.00 C ATOM 348 CE2 PHE A 23 24.872 7.283 0.492 1.00 0.00 C ATOM 349 CZ PHE A 23 24.806 7.456 -0.877 1.00 0.00 C ATOM 0 H PHE A 23 28.595 3.331 -1.255 1.00 0.00 H new ATOM 0 HA PHE A 23 28.411 4.649 1.364 1.00 0.00 H new ATOM 0 HB2 PHE A 23 26.132 3.021 0.186 1.00 0.00 H new ATOM 0 HB3 PHE A 23 26.185 3.759 1.775 1.00 0.00 H new ATOM 0 HD1 PHE A 23 26.195 4.552 -1.854 1.00 0.00 H new ATOM 0 HD2 PHE A 23 25.464 5.993 2.085 1.00 0.00 H new ATOM 0 HE1 PHE A 23 25.234 6.603 -2.788 1.00 0.00 H new ATOM 0 HE2 PHE A 23 24.499 8.051 1.153 1.00 0.00 H new ATOM 0 HZ PHE A 23 24.381 8.360 -1.289 1.00 0.00 H new ATOM 359 N LYS A 24 29.454 2.560 2.176 1.00 0.00 N ATOM 360 CA LYS A 24 30.078 1.349 2.716 1.00 0.00 C ATOM 361 C LYS A 24 29.050 0.287 3.096 1.00 0.00 C ATOM 362 O LYS A 24 27.844 0.526 3.051 1.00 0.00 O ATOM 363 CB LYS A 24 30.931 1.693 3.937 1.00 0.00 C ATOM 364 CG LYS A 24 30.301 2.741 4.842 1.00 0.00 C ATOM 365 CD LYS A 24 31.171 3.034 6.055 1.00 0.00 C ATOM 366 CE LYS A 24 32.439 3.782 5.671 1.00 0.00 C ATOM 367 NZ LYS A 24 32.139 5.110 5.069 1.00 0.00 N ATOM 0 H LYS A 24 29.741 3.420 2.643 1.00 0.00 H new ATOM 0 HA LYS A 24 30.707 0.936 1.927 1.00 0.00 H new ATOM 0 HB2 LYS A 24 31.108 0.785 4.514 1.00 0.00 H new ATOM 0 HB3 LYS A 24 31.904 2.052 3.601 1.00 0.00 H new ATOM 0 HG2 LYS A 24 30.141 3.660 4.278 1.00 0.00 H new ATOM 0 HG3 LYS A 24 29.321 2.395 5.172 1.00 0.00 H new ATOM 0 HD2 LYS A 24 30.604 3.624 6.775 1.00 0.00 H new ATOM 0 HD3 LYS A 24 31.436 2.098 6.548 1.00 0.00 H new ATOM 0 HE2 LYS A 24 33.063 3.917 6.555 1.00 0.00 H new ATOM 0 HE3 LYS A 24 33.013 3.184 4.963 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 32.990 5.706 5.102 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 31.842 4.984 4.080 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 31.374 5.569 5.604 1.00 0.00 H new ATOM 381 N THR A 25 29.548 -0.888 3.480 1.00 0.00 N ATOM 382 CA THR A 25 28.691 -1.996 3.873 1.00 0.00 C ATOM 383 C THR A 25 28.050 -1.742 5.233 1.00 0.00 C ATOM 384 O THR A 25 27.128 -2.452 5.638 1.00 0.00 O ATOM 385 CB THR A 25 29.470 -3.324 3.914 1.00 0.00 C ATOM 386 OG1 THR A 25 30.806 -3.097 4.375 1.00 0.00 O ATOM 387 CG2 THR A 25 29.499 -3.993 2.541 1.00 0.00 C ATOM 0 H THR A 25 30.546 -1.093 3.526 1.00 0.00 H new ATOM 0 HA THR A 25 27.907 -2.073 3.119 1.00 0.00 H new ATOM 0 HB THR A 25 28.958 -3.993 4.606 1.00 0.00 H new ATOM 0 HG1 THR A 25 31.293 -3.947 4.399 1.00 0.00 H new ATOM 0 HG21 THR A 25 30.056 -4.928 2.603 1.00 0.00 H new ATOM 0 HG22 THR A 25 28.479 -4.199 2.215 1.00 0.00 H new ATOM 0 HG23 THR A 25 29.982 -3.330 1.823 1.00 0.00 H new ATOM 395 N GLY A 26 28.543 -0.726 5.934 1.00 0.00 N ATOM 396 CA GLY A 26 28.000 -0.374 7.237 1.00 0.00 C ATOM 397 C GLY A 26 27.035 0.790 7.132 1.00 0.00 C ATOM 398 O GLY A 26 26.742 1.470 8.115 1.00 0.00 O ATOM 0 H GLY A 26 29.314 -0.136 5.622 1.00 0.00 H new ATOM 0 HA2 GLY A 26 27.489 -1.236 7.666 1.00 0.00 H new ATOM 0 HA3 GLY A 26 28.813 -0.116 7.915 1.00 0.00 H new ATOM 402 N THR A 27 26.546 1.001 5.918 1.00 0.00 N ATOM 403 CA THR A 27 25.609 2.081 5.645 1.00 0.00 C ATOM 404 C THR A 27 24.180 1.555 5.607 1.00 0.00 C ATOM 405 O THR A 27 23.952 0.384 5.309 1.00 0.00 O ATOM 406 CB THR A 27 25.928 2.790 4.315 1.00 0.00 C ATOM 407 OG1 THR A 27 25.486 4.152 4.371 1.00 0.00 O ATOM 408 CG2 THR A 27 25.253 2.089 3.148 1.00 0.00 C ATOM 0 H THR A 27 26.784 0.435 5.103 1.00 0.00 H new ATOM 0 HA THR A 27 25.710 2.805 6.454 1.00 0.00 H new ATOM 0 HB THR A 27 27.007 2.758 4.164 1.00 0.00 H new ATOM 0 HG1 THR A 27 26.063 4.707 3.806 1.00 0.00 H new ATOM 0 HG21 THR A 27 25.495 2.610 2.222 1.00 0.00 H new ATOM 0 HG22 THR A 27 25.606 1.060 3.088 1.00 0.00 H new ATOM 0 HG23 THR A 27 24.173 2.094 3.296 1.00 0.00 H new ATOM 416 N THR A 28 23.221 2.418 5.909 1.00 0.00 N ATOM 417 CA THR A 28 21.821 2.021 5.902 1.00 0.00 C ATOM 418 C THR A 28 20.912 3.211 5.631 1.00 0.00 C ATOM 419 O THR A 28 20.945 4.212 6.348 1.00 0.00 O ATOM 420 CB THR A 28 21.417 1.362 7.234 1.00 0.00 C ATOM 421 OG1 THR A 28 22.163 0.154 7.430 1.00 0.00 O ATOM 422 CG2 THR A 28 19.926 1.053 7.262 1.00 0.00 C ATOM 0 H THR A 28 23.385 3.393 6.161 1.00 0.00 H new ATOM 0 HA THR A 28 21.702 1.293 5.099 1.00 0.00 H new ATOM 0 HB THR A 28 21.639 2.063 8.039 1.00 0.00 H new ATOM 0 HG1 THR A 28 21.901 -0.258 8.280 1.00 0.00 H new ATOM 0 HG21 THR A 28 19.669 0.588 8.214 1.00 0.00 H new ATOM 0 HG22 THR A 28 19.361 1.977 7.145 1.00 0.00 H new ATOM 0 HG23 THR A 28 19.680 0.372 6.447 1.00 0.00 H new ATOM 430 N LEU A 29 20.101 3.093 4.587 1.00 0.00 N ATOM 431 CA LEU A 29 19.184 4.158 4.209 1.00 0.00 C ATOM 432 C LEU A 29 17.825 3.960 4.875 1.00 0.00 C ATOM 433 O LEU A 29 17.669 3.093 5.734 1.00 0.00 O ATOM 434 CB LEU A 29 19.028 4.215 2.686 1.00 0.00 C ATOM 435 CG LEU A 29 20.298 4.589 1.915 1.00 0.00 C ATOM 436 CD1 LEU A 29 21.328 3.473 2.003 1.00 0.00 C ATOM 437 CD2 LEU A 29 19.973 4.893 0.462 1.00 0.00 C ATOM 0 H LEU A 29 20.061 2.269 3.987 1.00 0.00 H new ATOM 0 HA LEU A 29 19.600 5.105 4.552 1.00 0.00 H new ATOM 0 HB2 LEU A 29 18.682 3.243 2.335 1.00 0.00 H new ATOM 0 HB3 LEU A 29 18.249 4.937 2.443 1.00 0.00 H new ATOM 0 HG LEU A 29 20.719 5.485 2.370 1.00 0.00 H new ATOM 0 HD11 LEU A 29 22.222 3.759 1.449 1.00 0.00 H new ATOM 0 HD12 LEU A 29 21.588 3.299 3.047 1.00 0.00 H new ATOM 0 HD13 LEU A 29 20.913 2.560 1.576 1.00 0.00 H new ATOM 0 HD21 LEU A 29 20.888 5.156 -0.068 1.00 0.00 H new ATOM 0 HD22 LEU A 29 19.525 4.014 -0.002 1.00 0.00 H new ATOM 0 HD23 LEU A 29 19.272 5.727 0.413 1.00 0.00 H new ATOM 449 N LYS A 30 16.843 4.765 4.477 1.00 0.00 N ATOM 450 CA LYS A 30 15.503 4.667 5.047 1.00 0.00 C ATOM 451 C LYS A 30 14.502 4.167 4.009 1.00 0.00 C ATOM 452 O LYS A 30 14.073 3.015 4.055 1.00 0.00 O ATOM 453 CB LYS A 30 15.060 6.022 5.602 1.00 0.00 C ATOM 454 CG LYS A 30 13.723 5.978 6.326 1.00 0.00 C ATOM 455 CD LYS A 30 13.532 7.196 7.215 1.00 0.00 C ATOM 456 CE LYS A 30 14.374 7.101 8.479 1.00 0.00 C ATOM 457 NZ LYS A 30 13.959 5.956 9.337 1.00 0.00 N ATOM 0 H LYS A 30 16.949 5.489 3.766 1.00 0.00 H new ATOM 0 HA LYS A 30 15.534 3.946 5.864 1.00 0.00 H new ATOM 0 HB2 LYS A 30 15.823 6.391 6.288 1.00 0.00 H new ATOM 0 HB3 LYS A 30 14.996 6.737 4.782 1.00 0.00 H new ATOM 0 HG2 LYS A 30 12.914 5.928 5.597 1.00 0.00 H new ATOM 0 HG3 LYS A 30 13.664 5.072 6.930 1.00 0.00 H new ATOM 0 HD2 LYS A 30 13.802 8.096 6.663 1.00 0.00 H new ATOM 0 HD3 LYS A 30 12.480 7.290 7.484 1.00 0.00 H new ATOM 0 HE2 LYS A 30 15.424 6.990 8.208 1.00 0.00 H new ATOM 0 HE3 LYS A 30 14.287 8.029 9.044 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 14.282 6.118 10.312 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 12.923 5.871 9.325 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 14.382 5.078 8.973 1.00 0.00 H new ATOM 471 N TYR A 31 14.134 5.043 3.079 1.00 0.00 N ATOM 472 CA TYR A 31 13.189 4.698 2.019 1.00 0.00 C ATOM 473 C TYR A 31 11.781 4.462 2.566 1.00 0.00 C ATOM 474 O TYR A 31 11.592 3.784 3.577 1.00 0.00 O ATOM 475 CB TYR A 31 13.671 3.465 1.250 1.00 0.00 C ATOM 476 CG TYR A 31 14.600 3.792 0.103 1.00 0.00 C ATOM 477 CD1 TYR A 31 15.953 4.016 0.319 1.00 0.00 C ATOM 478 CD2 TYR A 31 14.119 3.880 -1.198 1.00 0.00 C ATOM 479 CE1 TYR A 31 16.802 4.317 -0.730 1.00 0.00 C ATOM 480 CE2 TYR A 31 14.961 4.181 -2.251 1.00 0.00 C ATOM 481 CZ TYR A 31 16.301 4.399 -2.012 1.00 0.00 C ATOM 482 OH TYR A 31 17.144 4.697 -3.059 1.00 0.00 O ATOM 0 H TYR A 31 14.477 6.003 3.037 1.00 0.00 H new ATOM 0 HA TYR A 31 13.141 5.547 1.337 1.00 0.00 H new ATOM 0 HB2 TYR A 31 14.182 2.793 1.940 1.00 0.00 H new ATOM 0 HB3 TYR A 31 12.805 2.927 0.863 1.00 0.00 H new ATOM 0 HD1 TYR A 31 16.349 3.954 1.322 1.00 0.00 H new ATOM 0 HD2 TYR A 31 13.070 3.710 -1.389 1.00 0.00 H new ATOM 0 HE1 TYR A 31 17.853 4.487 -0.546 1.00 0.00 H new ATOM 0 HE2 TYR A 31 14.571 4.245 -3.256 1.00 0.00 H new ATOM 0 HH TYR A 31 16.633 4.715 -3.895 1.00 0.00 H new ATOM 492 N THR A 32 10.799 5.035 1.878 1.00 0.00 N ATOM 493 CA THR A 32 9.398 4.909 2.271 1.00 0.00 C ATOM 494 C THR A 32 8.760 3.658 1.669 1.00 0.00 C ATOM 495 O THR A 32 9.446 2.689 1.352 1.00 0.00 O ATOM 496 CB THR A 32 8.592 6.145 1.828 1.00 0.00 C ATOM 497 OG1 THR A 32 8.224 6.023 0.448 1.00 0.00 O ATOM 498 CG2 THR A 32 9.405 7.414 2.023 1.00 0.00 C ATOM 0 H THR A 32 10.948 5.596 1.039 1.00 0.00 H new ATOM 0 HA THR A 32 9.377 4.829 3.358 1.00 0.00 H new ATOM 0 HB THR A 32 7.693 6.204 2.441 1.00 0.00 H new ATOM 0 HG1 THR A 32 7.711 6.812 0.175 1.00 0.00 H new ATOM 0 HG21 THR A 32 8.818 8.275 1.704 1.00 0.00 H new ATOM 0 HG22 THR A 32 9.664 7.522 3.076 1.00 0.00 H new ATOM 0 HG23 THR A 32 10.317 7.357 1.429 1.00 0.00 H new ATOM 506 N CYS A 33 7.436 3.687 1.530 1.00 0.00 N ATOM 507 CA CYS A 33 6.692 2.569 0.959 1.00 0.00 C ATOM 508 C CYS A 33 5.305 3.036 0.516 1.00 0.00 C ATOM 509 O CYS A 33 4.449 3.390 1.327 1.00 0.00 O ATOM 510 CB CYS A 33 6.579 1.426 1.973 1.00 0.00 C ATOM 511 SG CYS A 33 5.631 -0.008 1.372 1.00 0.00 S ATOM 0 H CYS A 33 6.855 4.478 1.807 1.00 0.00 H new ATOM 0 HA CYS A 33 7.230 2.197 0.087 1.00 0.00 H new ATOM 0 HB2 CYS A 33 7.581 1.097 2.247 1.00 0.00 H new ATOM 0 HB3 CYS A 33 6.109 1.805 2.881 1.00 0.00 H new ATOM 516 N LEU A 34 5.126 3.026 -0.804 1.00 0.00 N ATOM 517 CA LEU A 34 3.891 3.470 -1.443 1.00 0.00 C ATOM 518 C LEU A 34 2.645 2.862 -0.788 1.00 0.00 C ATOM 519 O LEU A 34 2.720 1.829 -0.122 1.00 0.00 O ATOM 520 CB LEU A 34 3.940 3.133 -2.934 1.00 0.00 C ATOM 521 CG LEU A 34 5.249 3.522 -3.636 1.00 0.00 C ATOM 522 CD1 LEU A 34 5.193 3.161 -5.112 1.00 0.00 C ATOM 523 CD2 LEU A 34 5.537 5.006 -3.459 1.00 0.00 C ATOM 0 H LEU A 34 5.838 2.708 -1.462 1.00 0.00 H new ATOM 0 HA LEU A 34 3.814 4.550 -1.314 1.00 0.00 H new ATOM 0 HB2 LEU A 34 3.783 2.061 -3.056 1.00 0.00 H new ATOM 0 HB3 LEU A 34 3.112 3.636 -3.434 1.00 0.00 H new ATOM 0 HG LEU A 34 6.061 2.960 -3.175 1.00 0.00 H new ATOM 0 HD11 LEU A 34 6.130 3.445 -5.592 1.00 0.00 H new ATOM 0 HD12 LEU A 34 5.041 2.087 -5.218 1.00 0.00 H new ATOM 0 HD13 LEU A 34 4.367 3.692 -5.585 1.00 0.00 H new ATOM 0 HD21 LEU A 34 6.469 5.259 -3.965 1.00 0.00 H new ATOM 0 HD22 LEU A 34 4.722 5.589 -3.888 1.00 0.00 H new ATOM 0 HD23 LEU A 34 5.627 5.235 -2.397 1.00 0.00 H new ATOM 535 N PRO A 35 1.481 3.516 -0.982 1.00 0.00 N ATOM 536 CA PRO A 35 0.195 3.094 -0.414 1.00 0.00 C ATOM 537 C PRO A 35 -0.073 1.591 -0.488 1.00 0.00 C ATOM 538 O PRO A 35 0.117 0.870 0.492 1.00 0.00 O ATOM 539 CB PRO A 35 -0.847 3.857 -1.252 1.00 0.00 C ATOM 540 CG PRO A 35 -0.078 4.605 -2.295 1.00 0.00 C ATOM 541 CD PRO A 35 1.320 4.739 -1.774 1.00 0.00 C ATOM 0 HA PRO A 35 0.169 3.312 0.654 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -1.557 3.169 -1.711 1.00 0.00 H new ATOM 0 HB3 PRO A 35 -1.423 4.540 -0.628 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -0.089 4.070 -3.244 1.00 0.00 H new ATOM 0 HG3 PRO A 35 -0.521 5.584 -2.476 1.00 0.00 H new ATOM 0 HD2 PRO A 35 2.050 4.799 -2.581 1.00 0.00 H new ATOM 0 HD3 PRO A 35 1.443 5.635 -1.166 1.00 0.00 H new ATOM 549 N GLY A 36 -0.517 1.131 -1.651 1.00 0.00 N ATOM 550 CA GLY A 36 -0.851 -0.275 -1.830 1.00 0.00 C ATOM 551 C GLY A 36 0.275 -1.207 -1.445 1.00 0.00 C ATOM 552 O GLY A 36 0.046 -2.368 -1.115 1.00 0.00 O ATOM 0 H GLY A 36 -0.653 1.709 -2.481 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -1.731 -0.512 -1.232 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -1.118 -0.449 -2.872 1.00 0.00 H new ATOM 556 N TYR A 37 1.491 -0.694 -1.483 1.00 0.00 N ATOM 557 CA TYR A 37 2.644 -1.507 -1.122 1.00 0.00 C ATOM 558 C TYR A 37 2.565 -1.849 0.359 1.00 0.00 C ATOM 559 O TYR A 37 3.141 -1.141 1.181 1.00 0.00 O ATOM 560 CB TYR A 37 3.951 -0.757 -1.398 1.00 0.00 C ATOM 561 CG TYR A 37 4.588 -1.068 -2.732 1.00 0.00 C ATOM 562 CD1 TYR A 37 4.917 -2.370 -3.084 1.00 0.00 C ATOM 563 CD2 TYR A 37 4.875 -0.053 -3.634 1.00 0.00 C ATOM 564 CE1 TYR A 37 5.513 -2.652 -4.299 1.00 0.00 C ATOM 565 CE2 TYR A 37 5.467 -0.327 -4.852 1.00 0.00 C ATOM 566 CZ TYR A 37 5.785 -1.627 -5.178 1.00 0.00 C ATOM 567 OH TYR A 37 6.375 -1.904 -6.388 1.00 0.00 O ATOM 0 H TYR A 37 1.707 0.265 -1.755 1.00 0.00 H new ATOM 0 HA TYR A 37 2.634 -2.416 -1.724 1.00 0.00 H new ATOM 0 HB2 TYR A 37 3.758 0.314 -1.344 1.00 0.00 H new ATOM 0 HB3 TYR A 37 4.663 -0.992 -0.607 1.00 0.00 H new ATOM 0 HD1 TYR A 37 4.704 -3.176 -2.397 1.00 0.00 H new ATOM 0 HD2 TYR A 37 4.632 0.968 -3.380 1.00 0.00 H new ATOM 0 HE1 TYR A 37 5.764 -3.670 -4.558 1.00 0.00 H new ATOM 0 HE2 TYR A 37 5.679 0.474 -5.545 1.00 0.00 H new ATOM 0 HH TYR A 37 6.083 -1.246 -7.053 1.00 0.00 H new ATOM 577 N VAL A 38 1.844 -2.910 0.728 1.00 0.00 N ATOM 578 CA VAL A 38 1.691 -3.317 2.116 1.00 0.00 C ATOM 579 C VAL A 38 2.476 -4.589 2.409 1.00 0.00 C ATOM 580 O VAL A 38 3.195 -5.092 1.555 1.00 0.00 O ATOM 581 CB VAL A 38 0.197 -3.576 2.432 1.00 0.00 C ATOM 582 CG1 VAL A 38 -0.684 -2.534 1.760 1.00 0.00 C ATOM 583 CG2 VAL A 38 -0.218 -4.977 1.995 1.00 0.00 C ATOM 0 H VAL A 38 1.351 -3.509 0.066 1.00 0.00 H new ATOM 0 HA VAL A 38 2.075 -2.510 2.739 1.00 0.00 H new ATOM 0 HB VAL A 38 0.066 -3.499 3.511 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -1.729 -2.735 1.995 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -0.415 -1.542 2.122 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -0.540 -2.578 0.680 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -1.271 -5.134 2.228 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -0.064 -5.084 0.921 1.00 0.00 H new ATOM 0 HG23 VAL A 38 0.384 -5.716 2.523 1.00 0.00 H new ATOM 593 N ARG A 39 2.320 -5.100 3.624 1.00 0.00 N ATOM 594 CA ARG A 39 2.981 -6.333 4.039 1.00 0.00 C ATOM 595 C ARG A 39 4.437 -6.401 3.577 1.00 0.00 C ATOM 596 O ARG A 39 5.066 -5.381 3.296 1.00 0.00 O ATOM 597 CB ARG A 39 2.206 -7.536 3.504 1.00 0.00 C ATOM 598 CG ARG A 39 0.818 -7.668 4.107 1.00 0.00 C ATOM 599 CD ARG A 39 0.089 -8.889 3.575 1.00 0.00 C ATOM 600 NE ARG A 39 -1.246 -9.016 4.150 1.00 0.00 N ATOM 601 CZ ARG A 39 -2.010 -10.095 4.013 1.00 0.00 C ATOM 602 NH1 ARG A 39 -1.570 -11.139 3.324 1.00 0.00 N ATOM 603 NH2 ARG A 39 -3.213 -10.131 4.568 1.00 0.00 N ATOM 0 H ARG A 39 1.737 -4.676 4.345 1.00 0.00 H new ATOM 0 HA ARG A 39 2.990 -6.348 5.129 1.00 0.00 H new ATOM 0 HB2 ARG A 39 2.118 -7.451 2.421 1.00 0.00 H new ATOM 0 HB3 ARG A 39 2.772 -8.445 3.708 1.00 0.00 H new ATOM 0 HG2 ARG A 39 0.897 -7.736 5.192 1.00 0.00 H new ATOM 0 HG3 ARG A 39 0.238 -6.772 3.885 1.00 0.00 H new ATOM 0 HD2 ARG A 39 0.013 -8.823 2.490 1.00 0.00 H new ATOM 0 HD3 ARG A 39 0.668 -9.785 3.799 1.00 0.00 H new ATOM 0 HE ARG A 39 -1.614 -8.232 4.688 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -0.644 -11.115 2.898 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -2.158 -11.966 3.220 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -3.553 -9.330 5.101 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -3.799 -10.959 4.462 1.00 0.00 H new ATOM 617 N SER A 40 4.958 -7.624 3.514 1.00 0.00 N ATOM 618 CA SER A 40 6.331 -7.879 3.095 1.00 0.00 C ATOM 619 C SER A 40 7.346 -7.218 4.030 1.00 0.00 C ATOM 620 O SER A 40 8.550 -7.406 3.870 1.00 0.00 O ATOM 621 CB SER A 40 6.543 -7.399 1.660 1.00 0.00 C ATOM 622 OG SER A 40 7.764 -7.882 1.133 1.00 0.00 O ATOM 0 H SER A 40 4.437 -8.468 3.753 1.00 0.00 H new ATOM 0 HA SER A 40 6.494 -8.956 3.143 1.00 0.00 H new ATOM 0 HB2 SER A 40 5.716 -7.736 1.035 1.00 0.00 H new ATOM 0 HB3 SER A 40 6.539 -6.309 1.634 1.00 0.00 H new ATOM 0 HG SER A 40 8.420 -7.969 1.855 1.00 0.00 H new ATOM 628 N HIS A 41 6.862 -6.458 5.012 1.00 0.00 N ATOM 629 CA HIS A 41 7.750 -5.778 5.952 1.00 0.00 C ATOM 630 C HIS A 41 8.708 -6.769 6.601 1.00 0.00 C ATOM 631 O HIS A 41 8.322 -7.887 6.944 1.00 0.00 O ATOM 632 CB HIS A 41 6.952 -5.059 7.042 1.00 0.00 C ATOM 633 CG HIS A 41 5.723 -4.364 6.544 1.00 0.00 C ATOM 634 ND1 HIS A 41 4.471 -4.572 7.086 1.00 0.00 N ATOM 635 CD2 HIS A 41 5.555 -3.452 5.558 1.00 0.00 C ATOM 636 CE1 HIS A 41 3.589 -3.818 6.455 1.00 0.00 C ATOM 637 NE2 HIS A 41 4.222 -3.128 5.524 1.00 0.00 N ATOM 0 H HIS A 41 5.868 -6.299 5.176 1.00 0.00 H new ATOM 0 HA HIS A 41 8.321 -5.041 5.387 1.00 0.00 H new ATOM 0 HB2 HIS A 41 6.663 -5.784 7.803 1.00 0.00 H new ATOM 0 HB3 HIS A 41 7.598 -4.328 7.527 1.00 0.00 H new ATOM 0 HD2 HIS A 41 6.327 -3.053 4.917 1.00 0.00 H new ATOM 0 HE1 HIS A 41 2.531 -3.773 6.665 1.00 0.00 H new ATOM 0 HE2 HIS A 41 3.790 -2.462 4.883 1.00 0.00 H new ATOM 646 N SER A 42 9.957 -6.348 6.770 1.00 0.00 N ATOM 647 CA SER A 42 10.979 -7.191 7.376 1.00 0.00 C ATOM 648 C SER A 42 12.311 -6.456 7.430 1.00 0.00 C ATOM 649 O SER A 42 13.272 -6.932 8.036 1.00 0.00 O ATOM 650 CB SER A 42 11.142 -8.486 6.579 1.00 0.00 C ATOM 651 OG SER A 42 12.013 -9.388 7.238 1.00 0.00 O ATOM 0 H SER A 42 10.286 -5.423 6.494 1.00 0.00 H new ATOM 0 HA SER A 42 10.664 -7.433 8.391 1.00 0.00 H new ATOM 0 HB2 SER A 42 10.168 -8.954 6.438 1.00 0.00 H new ATOM 0 HB3 SER A 42 11.532 -8.259 5.587 1.00 0.00 H new ATOM 0 HG SER A 42 12.639 -8.886 7.801 1.00 0.00 H new ATOM 657 N THR A 43 12.358 -5.292 6.792 1.00 0.00 N ATOM 658 CA THR A 43 13.580 -4.493 6.759 1.00 0.00 C ATOM 659 C THR A 43 13.280 -3.005 6.610 1.00 0.00 C ATOM 660 O THR A 43 13.382 -2.243 7.572 1.00 0.00 O ATOM 661 CB THR A 43 14.505 -4.937 5.608 1.00 0.00 C ATOM 662 OG1 THR A 43 14.632 -6.364 5.603 1.00 0.00 O ATOM 663 CG2 THR A 43 15.882 -4.306 5.749 1.00 0.00 C ATOM 0 H THR A 43 11.569 -4.881 6.293 1.00 0.00 H new ATOM 0 HA THR A 43 14.083 -4.656 7.712 1.00 0.00 H new ATOM 0 HB THR A 43 14.062 -4.607 4.668 1.00 0.00 H new ATOM 0 HG1 THR A 43 15.220 -6.638 4.868 1.00 0.00 H new ATOM 0 HG21 THR A 43 16.518 -4.633 4.926 1.00 0.00 H new ATOM 0 HG22 THR A 43 15.789 -3.220 5.726 1.00 0.00 H new ATOM 0 HG23 THR A 43 16.327 -4.612 6.696 1.00 0.00 H new ATOM 671 N GLN A 44 12.922 -2.609 5.394 1.00 0.00 N ATOM 672 CA GLN A 44 12.606 -1.215 5.087 1.00 0.00 C ATOM 673 C GLN A 44 13.875 -0.373 5.057 1.00 0.00 C ATOM 674 O GLN A 44 13.848 0.816 5.375 1.00 0.00 O ATOM 675 CB GLN A 44 11.622 -0.633 6.111 1.00 0.00 C ATOM 676 CG GLN A 44 10.289 -1.361 6.174 1.00 0.00 C ATOM 677 CD GLN A 44 9.531 -1.314 4.863 1.00 0.00 C ATOM 678 OE1 GLN A 44 9.698 -0.389 4.067 1.00 0.00 O ATOM 679 NE2 GLN A 44 8.683 -2.310 4.636 1.00 0.00 N ATOM 0 H GLN A 44 12.842 -3.239 4.596 1.00 0.00 H new ATOM 0 HA GLN A 44 12.138 -1.190 4.103 1.00 0.00 H new ATOM 0 HB2 GLN A 44 12.084 -0.658 7.098 1.00 0.00 H new ATOM 0 HB3 GLN A 44 11.441 0.414 5.870 1.00 0.00 H new ATOM 0 HG2 GLN A 44 10.461 -2.401 6.452 1.00 0.00 H new ATOM 0 HG3 GLN A 44 9.676 -0.919 6.959 1.00 0.00 H new ATOM 0 HE21 GLN A 44 8.577 -3.056 5.324 1.00 0.00 H new ATOM 0 HE22 GLN A 44 8.138 -2.329 3.774 1.00 0.00 H new ATOM 688 N THR A 45 14.984 -0.993 4.659 1.00 0.00 N ATOM 689 CA THR A 45 16.264 -0.302 4.593 1.00 0.00 C ATOM 690 C THR A 45 17.162 -0.918 3.528 1.00 0.00 C ATOM 691 O THR A 45 17.014 -2.087 3.179 1.00 0.00 O ATOM 692 CB THR A 45 17.009 -0.337 5.945 1.00 0.00 C ATOM 693 OG1 THR A 45 17.193 -1.693 6.367 1.00 0.00 O ATOM 694 CG2 THR A 45 16.249 0.433 7.016 1.00 0.00 C ATOM 0 H THR A 45 15.019 -1.973 4.378 1.00 0.00 H new ATOM 0 HA THR A 45 16.042 0.734 4.338 1.00 0.00 H new ATOM 0 HB THR A 45 17.980 0.139 5.806 1.00 0.00 H new ATOM 0 HG1 THR A 45 17.668 -1.707 7.224 1.00 0.00 H new ATOM 0 HG21 THR A 45 16.800 0.389 7.956 1.00 0.00 H new ATOM 0 HG22 THR A 45 16.139 1.473 6.708 1.00 0.00 H new ATOM 0 HG23 THR A 45 15.263 -0.011 7.152 1.00 0.00 H new ATOM 702 N LEU A 46 18.095 -0.122 3.018 1.00 0.00 N ATOM 703 CA LEU A 46 19.028 -0.582 1.994 1.00 0.00 C ATOM 704 C LEU A 46 20.451 -0.543 2.541 1.00 0.00 C ATOM 705 O LEU A 46 21.054 0.523 2.658 1.00 0.00 O ATOM 706 CB LEU A 46 18.916 0.276 0.730 1.00 0.00 C ATOM 707 CG LEU A 46 17.938 -0.248 -0.329 1.00 0.00 C ATOM 708 CD1 LEU A 46 16.548 -0.428 0.265 1.00 0.00 C ATOM 709 CD2 LEU A 46 17.891 0.687 -1.531 1.00 0.00 C ATOM 0 H LEU A 46 18.226 0.850 3.298 1.00 0.00 H new ATOM 0 HA LEU A 46 18.776 -1.608 1.726 1.00 0.00 H new ATOM 0 HB2 LEU A 46 18.610 1.282 1.018 1.00 0.00 H new ATOM 0 HB3 LEU A 46 19.905 0.361 0.279 1.00 0.00 H new ATOM 0 HG LEU A 46 18.294 -1.221 -0.668 1.00 0.00 H new ATOM 0 HD11 LEU A 46 15.870 -0.800 -0.503 1.00 0.00 H new ATOM 0 HD12 LEU A 46 16.593 -1.143 1.087 1.00 0.00 H new ATOM 0 HD13 LEU A 46 16.184 0.530 0.637 1.00 0.00 H new ATOM 0 HD21 LEU A 46 17.191 0.296 -2.269 1.00 0.00 H new ATOM 0 HD22 LEU A 46 17.564 1.676 -1.210 1.00 0.00 H new ATOM 0 HD23 LEU A 46 18.884 0.759 -1.975 1.00 0.00 H new ATOM 721 N THR A 47 20.978 -1.716 2.882 1.00 0.00 N ATOM 722 CA THR A 47 22.329 -1.823 3.419 1.00 0.00 C ATOM 723 C THR A 47 23.265 -2.448 2.401 1.00 0.00 C ATOM 724 O THR A 47 22.843 -3.260 1.577 1.00 0.00 O ATOM 725 CB THR A 47 22.368 -2.690 4.693 1.00 0.00 C ATOM 726 OG1 THR A 47 21.325 -2.295 5.591 1.00 0.00 O ATOM 727 CG2 THR A 47 23.715 -2.570 5.391 1.00 0.00 C ATOM 0 H THR A 47 20.488 -2.606 2.795 1.00 0.00 H new ATOM 0 HA THR A 47 22.649 -0.809 3.658 1.00 0.00 H new ATOM 0 HB THR A 47 22.219 -3.729 4.399 1.00 0.00 H new ATOM 0 HG1 THR A 47 21.631 -1.540 6.136 1.00 0.00 H new ATOM 0 HG21 THR A 47 23.717 -3.191 6.287 1.00 0.00 H new ATOM 0 HG22 THR A 47 24.505 -2.902 4.717 1.00 0.00 H new ATOM 0 HG23 THR A 47 23.889 -1.531 5.670 1.00 0.00 H new ATOM 735 N CYS A 48 24.537 -2.070 2.452 1.00 0.00 N ATOM 736 CA CYS A 48 25.513 -2.632 1.545 1.00 0.00 C ATOM 737 C CYS A 48 26.019 -3.939 2.128 1.00 0.00 C ATOM 738 O CYS A 48 26.551 -3.987 3.235 1.00 0.00 O ATOM 739 CB CYS A 48 26.656 -1.652 1.306 1.00 0.00 C ATOM 740 SG CYS A 48 26.450 -0.631 -0.185 1.00 0.00 S ATOM 0 H CYS A 48 24.908 -1.383 3.108 1.00 0.00 H new ATOM 0 HA CYS A 48 25.051 -2.825 0.577 1.00 0.00 H new ATOM 0 HB2 CYS A 48 26.748 -0.998 2.173 1.00 0.00 H new ATOM 0 HB3 CYS A 48 27.589 -2.209 1.227 1.00 0.00 H new ATOM 745 N ASN A 49 25.827 -4.997 1.363 1.00 0.00 N ATOM 746 CA ASN A 49 26.298 -6.313 1.749 1.00 0.00 C ATOM 747 C ASN A 49 27.628 -6.596 1.057 1.00 0.00 C ATOM 748 O ASN A 49 28.117 -5.767 0.288 1.00 0.00 O ATOM 749 CB ASN A 49 25.265 -7.369 1.364 1.00 0.00 C ATOM 750 CG ASN A 49 24.649 -7.086 0.012 1.00 0.00 C ATOM 751 OD1 ASN A 49 25.048 -7.655 -1.000 1.00 0.00 O ATOM 752 ND2 ASN A 49 23.677 -6.186 -0.013 1.00 0.00 N ATOM 0 H ASN A 49 25.345 -4.969 0.465 1.00 0.00 H new ATOM 0 HA ASN A 49 26.442 -6.347 2.829 1.00 0.00 H new ATOM 0 HB2 ASN A 49 25.737 -8.351 1.350 1.00 0.00 H new ATOM 0 HB3 ASN A 49 24.481 -7.403 2.121 1.00 0.00 H new ATOM 0 HD21 ASN A 49 23.230 -5.942 -0.897 1.00 0.00 H new ATOM 0 HD22 ASN A 49 23.376 -5.737 0.852 1.00 0.00 H new ATOM 759 N SER A 50 28.215 -7.756 1.323 1.00 0.00 N ATOM 760 CA SER A 50 29.481 -8.117 0.692 1.00 0.00 C ATOM 761 C SER A 50 29.194 -8.791 -0.647 1.00 0.00 C ATOM 762 O SER A 50 29.506 -9.962 -0.867 1.00 0.00 O ATOM 763 CB SER A 50 30.296 -9.035 1.604 1.00 0.00 C ATOM 764 OG SER A 50 31.529 -9.390 1.003 1.00 0.00 O ATOM 0 H SER A 50 27.841 -8.457 1.963 1.00 0.00 H new ATOM 0 HA SER A 50 30.072 -7.217 0.521 1.00 0.00 H new ATOM 0 HB2 SER A 50 30.482 -8.536 2.555 1.00 0.00 H new ATOM 0 HB3 SER A 50 29.723 -9.936 1.824 1.00 0.00 H new ATOM 0 HG SER A 50 32.031 -9.976 1.607 1.00 0.00 H new ATOM 770 N ASP A 51 28.586 -8.005 -1.528 1.00 0.00 N ATOM 771 CA ASP A 51 28.196 -8.435 -2.866 1.00 0.00 C ATOM 772 C ASP A 51 28.177 -7.242 -3.812 1.00 0.00 C ATOM 773 O ASP A 51 27.830 -7.366 -4.986 1.00 0.00 O ATOM 774 CB ASP A 51 26.805 -9.058 -2.832 1.00 0.00 C ATOM 775 CG ASP A 51 26.684 -10.161 -1.798 1.00 0.00 C ATOM 776 OD1 ASP A 51 26.962 -11.330 -2.142 1.00 0.00 O ATOM 777 OD2 ASP A 51 26.318 -9.858 -0.643 1.00 0.00 O ATOM 0 H ASP A 51 28.346 -7.034 -1.329 1.00 0.00 H new ATOM 0 HA ASP A 51 28.919 -9.172 -3.216 1.00 0.00 H new ATOM 0 HB2 ASP A 51 26.069 -8.283 -2.618 1.00 0.00 H new ATOM 0 HB3 ASP A 51 26.567 -9.461 -3.817 1.00 0.00 H new ATOM 782 N GLY A 52 28.555 -6.086 -3.278 1.00 0.00 N ATOM 783 CA GLY A 52 28.550 -4.871 -4.068 1.00 0.00 C ATOM 784 C GLY A 52 27.167 -4.529 -4.583 1.00 0.00 C ATOM 785 O GLY A 52 26.998 -3.773 -5.539 1.00 0.00 O ATOM 0 H GLY A 52 28.864 -5.969 -2.313 1.00 0.00 H new ATOM 0 HA2 GLY A 52 28.925 -4.045 -3.464 1.00 0.00 H new ATOM 0 HA3 GLY A 52 29.232 -4.985 -4.911 1.00 0.00 H new ATOM 789 N GLU A 53 26.183 -5.117 -3.914 1.00 0.00 N ATOM 790 CA GLU A 53 24.784 -4.882 -4.235 1.00 0.00 C ATOM 791 C GLU A 53 24.009 -4.523 -2.974 1.00 0.00 C ATOM 792 O GLU A 53 24.501 -4.710 -1.863 1.00 0.00 O ATOM 793 CB GLU A 53 24.168 -6.123 -4.882 1.00 0.00 C ATOM 794 CG GLU A 53 23.859 -7.236 -3.892 1.00 0.00 C ATOM 795 CD GLU A 53 23.456 -8.529 -4.574 1.00 0.00 C ATOM 796 OE1 GLU A 53 24.351 -9.344 -4.879 1.00 0.00 O ATOM 797 OE2 GLU A 53 22.243 -8.724 -4.805 1.00 0.00 O ATOM 0 H GLU A 53 26.332 -5.765 -3.140 1.00 0.00 H new ATOM 0 HA GLU A 53 24.728 -4.052 -4.939 1.00 0.00 H new ATOM 0 HB2 GLU A 53 23.249 -5.837 -5.393 1.00 0.00 H new ATOM 0 HB3 GLU A 53 24.851 -6.503 -5.642 1.00 0.00 H new ATOM 0 HG2 GLU A 53 24.735 -7.416 -3.269 1.00 0.00 H new ATOM 0 HG3 GLU A 53 23.056 -6.914 -3.228 1.00 0.00 H new ATOM 804 N TRP A 54 22.809 -3.990 -3.153 1.00 0.00 N ATOM 805 CA TRP A 54 21.963 -3.627 -2.040 1.00 0.00 C ATOM 806 C TRP A 54 20.996 -4.754 -1.721 1.00 0.00 C ATOM 807 O TRP A 54 20.092 -5.068 -2.496 1.00 0.00 O ATOM 808 CB TRP A 54 21.195 -2.358 -2.384 1.00 0.00 C ATOM 809 CG TRP A 54 22.089 -1.178 -2.608 1.00 0.00 C ATOM 810 CD1 TRP A 54 22.562 -0.717 -3.802 1.00 0.00 C ATOM 811 CD2 TRP A 54 22.629 -0.320 -1.604 1.00 0.00 C ATOM 812 NE1 TRP A 54 23.361 0.384 -3.598 1.00 0.00 N ATOM 813 CE2 TRP A 54 23.415 0.648 -2.254 1.00 0.00 C ATOM 814 CE3 TRP A 54 22.516 -0.277 -0.218 1.00 0.00 C ATOM 815 CZ2 TRP A 54 24.088 1.650 -1.559 1.00 0.00 C ATOM 816 CZ3 TRP A 54 23.182 0.716 0.475 1.00 0.00 C ATOM 817 CH2 TRP A 54 23.960 1.669 -0.196 1.00 0.00 C ATOM 0 H TRP A 54 22.402 -3.801 -4.069 1.00 0.00 H new ATOM 0 HA TRP A 54 22.583 -3.448 -1.162 1.00 0.00 H new ATOM 0 HB2 TRP A 54 20.600 -2.532 -3.280 1.00 0.00 H new ATOM 0 HB3 TRP A 54 20.498 -2.131 -1.577 1.00 0.00 H new ATOM 0 HD1 TRP A 54 22.342 -1.152 -4.765 1.00 0.00 H new ATOM 0 HE1 TRP A 54 23.835 0.917 -4.327 1.00 0.00 H new ATOM 0 HE3 TRP A 54 21.918 -1.007 0.307 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 24.688 2.384 -2.076 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 23.102 0.758 1.551 1.00 0.00 H new ATOM 0 HH2 TRP A 54 24.468 2.433 0.373 1.00 0.00 H new ATOM 828 N VAL A 55 21.214 -5.351 -0.558 1.00 0.00 N ATOM 829 CA VAL A 55 20.398 -6.453 -0.084 1.00 0.00 C ATOM 830 C VAL A 55 19.338 -5.892 0.851 1.00 0.00 C ATOM 831 O VAL A 55 19.619 -4.957 1.603 1.00 0.00 O ATOM 832 CB VAL A 55 21.254 -7.497 0.663 1.00 0.00 C ATOM 833 CG1 VAL A 55 20.489 -8.107 1.825 1.00 0.00 C ATOM 834 CG2 VAL A 55 21.727 -8.580 -0.291 1.00 0.00 C ATOM 0 H VAL A 55 21.962 -5.083 0.081 1.00 0.00 H new ATOM 0 HA VAL A 55 19.935 -6.951 -0.936 1.00 0.00 H new ATOM 0 HB VAL A 55 22.127 -6.985 1.069 1.00 0.00 H new ATOM 0 HG11 VAL A 55 21.119 -8.839 2.331 1.00 0.00 H new ATOM 0 HG12 VAL A 55 20.208 -7.322 2.527 1.00 0.00 H new ATOM 0 HG13 VAL A 55 19.591 -8.598 1.451 1.00 0.00 H new ATOM 0 HG21 VAL A 55 22.329 -9.307 0.254 1.00 0.00 H new ATOM 0 HG22 VAL A 55 20.864 -9.080 -0.731 1.00 0.00 H new ATOM 0 HG23 VAL A 55 22.328 -8.131 -1.082 1.00 0.00 H new ATOM 844 N TYR A 56 18.137 -6.453 0.826 1.00 0.00 N ATOM 845 CA TYR A 56 17.095 -5.967 1.724 1.00 0.00 C ATOM 846 C TYR A 56 15.778 -6.700 1.532 1.00 0.00 C ATOM 847 O TYR A 56 14.765 -6.356 2.143 1.00 0.00 O ATOM 848 CB TYR A 56 16.874 -4.468 1.501 1.00 0.00 C ATOM 849 CG TYR A 56 16.668 -4.104 0.044 1.00 0.00 C ATOM 850 CD1 TYR A 56 15.421 -4.235 -0.552 1.00 0.00 C ATOM 851 CD2 TYR A 56 17.721 -3.640 -0.734 1.00 0.00 C ATOM 852 CE1 TYR A 56 15.227 -3.913 -1.882 1.00 0.00 C ATOM 853 CE2 TYR A 56 17.536 -3.317 -2.065 1.00 0.00 C ATOM 854 CZ TYR A 56 16.288 -3.455 -2.635 1.00 0.00 C ATOM 855 OH TYR A 56 16.101 -3.136 -3.960 1.00 0.00 O ATOM 0 H TYR A 56 17.863 -7.222 0.214 1.00 0.00 H new ATOM 0 HA TYR A 56 17.436 -6.154 2.742 1.00 0.00 H new ATOM 0 HB2 TYR A 56 16.005 -4.146 2.075 1.00 0.00 H new ATOM 0 HB3 TYR A 56 17.733 -3.919 1.888 1.00 0.00 H new ATOM 0 HD1 TYR A 56 14.588 -4.595 0.034 1.00 0.00 H new ATOM 0 HD2 TYR A 56 18.700 -3.530 -0.292 1.00 0.00 H new ATOM 0 HE1 TYR A 56 14.250 -4.019 -2.329 1.00 0.00 H new ATOM 0 HE2 TYR A 56 18.365 -2.958 -2.656 1.00 0.00 H new ATOM 0 HH TYR A 56 16.948 -2.828 -4.345 1.00 0.00 H new ATOM 865 N ASN A 57 15.810 -7.724 0.685 1.00 0.00 N ATOM 866 CA ASN A 57 14.630 -8.531 0.397 1.00 0.00 C ATOM 867 C ASN A 57 13.439 -7.643 0.064 1.00 0.00 C ATOM 868 O ASN A 57 13.586 -6.436 -0.124 1.00 0.00 O ATOM 869 CB ASN A 57 14.294 -9.423 1.595 1.00 0.00 C ATOM 870 CG ASN A 57 15.396 -10.418 1.906 1.00 0.00 C ATOM 871 OD1 ASN A 57 16.340 -10.110 2.634 1.00 0.00 O ATOM 872 ND2 ASN A 57 15.279 -11.621 1.357 1.00 0.00 N ATOM 0 H ASN A 57 16.648 -8.016 0.182 1.00 0.00 H new ATOM 0 HA ASN A 57 14.848 -9.159 -0.466 1.00 0.00 H new ATOM 0 HB2 ASN A 57 14.115 -8.798 2.470 1.00 0.00 H new ATOM 0 HB3 ASN A 57 13.368 -9.962 1.394 1.00 0.00 H new ATOM 0 HD21 ASN A 57 15.988 -12.333 1.532 1.00 0.00 H new ATOM 0 HD22 ASN A 57 14.480 -11.834 0.760 1.00 0.00 H new ATOM 879 N THR A 58 12.261 -8.240 -0.025 1.00 0.00 N ATOM 880 CA THR A 58 11.058 -7.480 -0.310 1.00 0.00 C ATOM 881 C THR A 58 10.437 -7.026 1.000 1.00 0.00 C ATOM 882 O THR A 58 10.155 -7.844 1.875 1.00 0.00 O ATOM 883 CB THR A 58 10.031 -8.300 -1.112 1.00 0.00 C ATOM 884 OG1 THR A 58 10.695 -9.047 -2.137 1.00 0.00 O ATOM 885 CG2 THR A 58 8.991 -7.386 -1.742 1.00 0.00 C ATOM 0 H THR A 58 12.114 -9.242 0.095 1.00 0.00 H new ATOM 0 HA THR A 58 11.338 -6.621 -0.920 1.00 0.00 H new ATOM 0 HB THR A 58 9.530 -8.986 -0.429 1.00 0.00 H new ATOM 0 HG1 THR A 58 10.036 -9.567 -2.642 1.00 0.00 H new ATOM 0 HG21 THR A 58 8.274 -7.984 -2.305 1.00 0.00 H new ATOM 0 HG22 THR A 58 8.469 -6.835 -0.960 1.00 0.00 H new ATOM 0 HG23 THR A 58 9.484 -6.683 -2.414 1.00 0.00 H new ATOM 893 N PHE A 59 10.240 -5.723 1.143 1.00 0.00 N ATOM 894 CA PHE A 59 9.677 -5.178 2.369 1.00 0.00 C ATOM 895 C PHE A 59 8.259 -4.648 2.160 1.00 0.00 C ATOM 896 O PHE A 59 7.590 -4.254 3.114 1.00 0.00 O ATOM 897 CB PHE A 59 10.591 -4.080 2.911 1.00 0.00 C ATOM 898 CG PHE A 59 11.054 -3.119 1.858 1.00 0.00 C ATOM 899 CD1 PHE A 59 10.252 -2.062 1.463 1.00 0.00 C ATOM 900 CD2 PHE A 59 12.293 -3.277 1.258 1.00 0.00 C ATOM 901 CE1 PHE A 59 10.677 -1.181 0.489 1.00 0.00 C ATOM 902 CE2 PHE A 59 12.721 -2.400 0.283 1.00 0.00 C ATOM 903 CZ PHE A 59 11.913 -1.349 -0.102 1.00 0.00 C ATOM 0 H PHE A 59 10.460 -5.028 0.430 1.00 0.00 H new ATOM 0 HA PHE A 59 9.610 -5.985 3.099 1.00 0.00 H new ATOM 0 HB2 PHE A 59 10.063 -3.529 3.689 1.00 0.00 H new ATOM 0 HB3 PHE A 59 11.460 -4.540 3.381 1.00 0.00 H new ATOM 0 HD1 PHE A 59 9.284 -1.925 1.922 1.00 0.00 H new ATOM 0 HD2 PHE A 59 12.931 -4.096 1.557 1.00 0.00 H new ATOM 0 HE1 PHE A 59 10.042 -0.360 0.189 1.00 0.00 H new ATOM 0 HE2 PHE A 59 13.688 -2.536 -0.179 1.00 0.00 H new ATOM 0 HZ PHE A 59 12.247 -0.660 -0.864 1.00 0.00 H new ATOM 913 N CYS A 60 7.805 -4.647 0.911 1.00 0.00 N ATOM 914 CA CYS A 60 6.459 -4.180 0.587 1.00 0.00 C ATOM 915 C CYS A 60 5.878 -4.976 -0.578 1.00 0.00 C ATOM 916 O CYS A 60 6.615 -5.488 -1.419 1.00 0.00 O ATOM 917 CB CYS A 60 6.468 -2.692 0.232 1.00 0.00 C ATOM 918 SG CYS A 60 6.904 -1.572 1.604 1.00 0.00 S ATOM 0 H CYS A 60 8.347 -4.963 0.107 1.00 0.00 H new ATOM 0 HA CYS A 60 5.836 -4.330 1.469 1.00 0.00 H new ATOM 0 HB2 CYS A 60 7.173 -2.533 -0.584 1.00 0.00 H new ATOM 0 HB3 CYS A 60 5.481 -2.417 -0.141 1.00 0.00 H new ATOM 923 N ILE A 61 4.551 -5.071 -0.623 1.00 0.00 N ATOM 924 CA ILE A 61 3.868 -5.797 -1.687 1.00 0.00 C ATOM 925 C ILE A 61 2.535 -5.136 -2.040 1.00 0.00 C ATOM 926 O ILE A 61 1.505 -5.389 -1.415 1.00 0.00 O ATOM 927 CB ILE A 61 3.638 -7.285 -1.331 1.00 0.00 C ATOM 928 CG1 ILE A 61 2.874 -7.425 -0.015 1.00 0.00 C ATOM 929 CG2 ILE A 61 4.968 -8.017 -1.252 1.00 0.00 C ATOM 930 CD1 ILE A 61 2.639 -8.864 0.401 1.00 0.00 C ATOM 0 H ILE A 61 3.928 -4.653 0.067 1.00 0.00 H new ATOM 0 HA ILE A 61 4.526 -5.759 -2.556 1.00 0.00 H new ATOM 0 HB ILE A 61 3.034 -7.734 -2.119 1.00 0.00 H new ATOM 0 HG12 ILE A 61 3.427 -6.914 0.773 1.00 0.00 H new ATOM 0 HG13 ILE A 61 1.912 -6.921 -0.108 1.00 0.00 H new ATOM 0 HG21 ILE A 61 4.793 -9.063 -1.001 1.00 0.00 H new ATOM 0 HG22 ILE A 61 5.475 -7.955 -2.215 1.00 0.00 H new ATOM 0 HG23 ILE A 61 5.591 -7.559 -0.484 1.00 0.00 H new ATOM 0 HD11 ILE A 61 2.092 -8.886 1.343 1.00 0.00 H new ATOM 0 HD12 ILE A 61 2.059 -9.375 -0.367 1.00 0.00 H new ATOM 0 HD13 ILE A 61 3.597 -9.368 0.527 1.00 0.00 H new ATOM 942 N TYR A 62 2.585 -4.277 -3.049 1.00 0.00 N ATOM 943 CA TYR A 62 1.416 -3.553 -3.538 1.00 0.00 C ATOM 944 C TYR A 62 0.189 -4.434 -3.681 1.00 0.00 C ATOM 945 O TYR A 62 0.236 -5.481 -4.327 1.00 0.00 O ATOM 946 CB TYR A 62 1.723 -2.945 -4.907 1.00 0.00 C ATOM 947 CG TYR A 62 1.244 -1.515 -5.019 1.00 0.00 C ATOM 948 CD1 TYR A 62 -0.110 -1.207 -5.008 1.00 0.00 C ATOM 949 CD2 TYR A 62 2.149 -0.471 -5.100 1.00 0.00 C ATOM 950 CE1 TYR A 62 -0.543 0.104 -5.083 1.00 0.00 C ATOM 951 CE2 TYR A 62 1.729 0.840 -5.170 1.00 0.00 C ATOM 952 CZ TYR A 62 0.382 1.124 -5.161 1.00 0.00 C ATOM 953 OH TYR A 62 -0.041 2.430 -5.231 1.00 0.00 O ATOM 0 H TYR A 62 3.443 -4.060 -3.556 1.00 0.00 H new ATOM 0 HA TYR A 62 1.197 -2.784 -2.797 1.00 0.00 H new ATOM 0 HB2 TYR A 62 2.798 -2.981 -5.086 1.00 0.00 H new ATOM 0 HB3 TYR A 62 1.250 -3.546 -5.684 1.00 0.00 H new ATOM 0 HD1 TYR A 62 -0.836 -2.004 -4.940 1.00 0.00 H new ATOM 0 HD2 TYR A 62 3.207 -0.688 -5.109 1.00 0.00 H new ATOM 0 HE1 TYR A 62 -1.600 0.328 -5.081 1.00 0.00 H new ATOM 0 HE2 TYR A 62 2.452 1.640 -5.232 1.00 0.00 H new ATOM 0 HH TYR A 62 0.737 3.024 -5.280 1.00 0.00 H new ATOM 963 N LYS A 63 -0.917 -4.006 -3.074 1.00 0.00 N ATOM 964 CA LYS A 63 -2.175 -4.718 -3.192 1.00 0.00 C ATOM 965 C LYS A 63 -3.333 -3.796 -2.817 1.00 0.00 C ATOM 966 O LYS A 63 -3.460 -3.380 -1.665 1.00 0.00 O ATOM 967 CB LYS A 63 -2.169 -5.957 -2.297 1.00 0.00 C ATOM 968 CG LYS A 63 -1.905 -5.657 -0.830 1.00 0.00 C ATOM 969 CD LYS A 63 -1.910 -6.922 0.011 1.00 0.00 C ATOM 970 CE LYS A 63 -0.526 -7.527 0.106 1.00 0.00 C ATOM 971 NZ LYS A 63 -0.455 -8.864 -0.547 1.00 0.00 N ATOM 0 H LYS A 63 -0.961 -3.167 -2.496 1.00 0.00 H new ATOM 0 HA LYS A 63 -2.303 -5.040 -4.226 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -3.130 -6.463 -2.387 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -1.409 -6.650 -2.658 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -0.942 -5.156 -0.728 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -2.663 -4.969 -0.457 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -2.279 -6.694 1.011 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -2.597 -7.648 -0.425 1.00 0.00 H new ATOM 0 HE2 LYS A 63 0.195 -6.857 -0.361 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -0.242 -7.620 1.154 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -0.128 -9.570 0.143 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -1.398 -9.131 -0.895 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 0.210 -8.825 -1.345 1.00 0.00 H new ATOM 985 N ARG A 64 -4.172 -3.471 -3.795 1.00 0.00 N ATOM 986 CA ARG A 64 -5.314 -2.593 -3.565 1.00 0.00 C ATOM 987 C ARG A 64 -6.616 -3.266 -3.985 1.00 0.00 C ATOM 988 O ARG A 64 -6.624 -4.133 -4.858 1.00 0.00 O ATOM 989 CB ARG A 64 -5.124 -1.278 -4.321 1.00 0.00 C ATOM 990 CG ARG A 64 -4.568 -1.456 -5.722 1.00 0.00 C ATOM 991 CD ARG A 64 -3.707 -0.272 -6.127 1.00 0.00 C ATOM 992 NE ARG A 64 -4.498 0.941 -6.325 1.00 0.00 N ATOM 993 CZ ARG A 64 -4.152 1.918 -7.159 1.00 0.00 C ATOM 994 NH1 ARG A 64 -3.038 1.824 -7.871 1.00 0.00 N ATOM 995 NH2 ARG A 64 -4.923 2.991 -7.284 1.00 0.00 N ATOM 0 H ARG A 64 -4.083 -3.803 -4.755 1.00 0.00 H new ATOM 0 HA ARG A 64 -5.375 -2.382 -2.497 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -6.082 -0.763 -4.383 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -4.452 -0.635 -3.752 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -3.977 -2.371 -5.768 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -5.389 -1.571 -6.430 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -2.954 -0.092 -5.359 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -3.173 -0.510 -7.047 1.00 0.00 H new ATOM 0 HE ARG A 64 -5.363 1.044 -5.794 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -2.443 1.001 -7.780 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -2.776 2.575 -8.509 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -5.782 3.068 -6.740 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -4.656 3.739 -7.924 1.00 0.00 H new ATOM 1009 N CYS A 65 -7.719 -2.842 -3.378 1.00 0.00 N ATOM 1010 CA CYS A 65 -9.019 -3.418 -3.675 1.00 0.00 C ATOM 1011 C CYS A 65 -9.706 -2.596 -4.742 1.00 0.00 C ATOM 1012 O CYS A 65 -9.772 -1.370 -4.638 1.00 0.00 O ATOM 1013 CB CYS A 65 -9.885 -3.463 -2.416 1.00 0.00 C ATOM 1014 SG CYS A 65 -9.026 -4.078 -0.934 1.00 0.00 S ATOM 0 H CYS A 65 -7.736 -2.101 -2.677 1.00 0.00 H new ATOM 0 HA CYS A 65 -8.878 -4.437 -4.036 1.00 0.00 H new ATOM 0 HB2 CYS A 65 -10.262 -2.461 -2.213 1.00 0.00 H new ATOM 0 HB3 CYS A 65 -10.751 -4.096 -2.608 1.00 0.00 H new ATOM 1019 N ARG A 66 -10.215 -3.256 -5.772 1.00 0.00 N ATOM 1020 CA ARG A 66 -10.881 -2.539 -6.840 1.00 0.00 C ATOM 1021 C ARG A 66 -12.013 -1.698 -6.274 1.00 0.00 C ATOM 1022 O ARG A 66 -12.792 -2.158 -5.445 1.00 0.00 O ATOM 1023 CB ARG A 66 -11.398 -3.497 -7.916 1.00 0.00 C ATOM 1024 CG ARG A 66 -12.349 -2.847 -8.913 1.00 0.00 C ATOM 1025 CD ARG A 66 -11.720 -1.639 -9.587 1.00 0.00 C ATOM 1026 NE ARG A 66 -12.629 -1.015 -10.544 1.00 0.00 N ATOM 1027 CZ ARG A 66 -12.353 0.106 -11.203 1.00 0.00 C ATOM 1028 NH1 ARG A 66 -11.195 0.722 -11.015 1.00 0.00 N ATOM 1029 NH2 ARG A 66 -13.237 0.613 -12.050 1.00 0.00 N ATOM 0 H ARG A 66 -10.179 -4.269 -5.887 1.00 0.00 H new ATOM 0 HA ARG A 66 -10.155 -1.878 -7.314 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -10.548 -3.913 -8.457 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -11.907 -4.331 -7.433 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -12.637 -3.577 -9.670 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -13.261 -2.543 -8.400 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -11.433 -0.909 -8.830 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -10.807 -1.943 -10.099 1.00 0.00 H new ATOM 0 HE ARG A 66 -13.528 -1.465 -10.717 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -10.512 0.336 -10.363 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -10.987 1.582 -11.522 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -14.130 0.143 -12.197 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -13.024 1.473 -12.555 1.00 0.00 H new ATOM 1043 N HIS A 67 -12.098 -0.468 -6.742 1.00 0.00 N ATOM 1044 CA HIS A 67 -13.135 0.444 -6.280 1.00 0.00 C ATOM 1045 C HIS A 67 -14.516 -0.148 -6.562 1.00 0.00 C ATOM 1046 O HIS A 67 -14.850 -0.412 -7.717 1.00 0.00 O ATOM 1047 CB HIS A 67 -12.988 1.797 -6.978 1.00 0.00 C ATOM 1048 CG HIS A 67 -13.780 2.894 -6.343 1.00 0.00 C ATOM 1049 ND1 HIS A 67 -14.972 3.362 -6.858 1.00 0.00 N ATOM 1050 CD2 HIS A 67 -13.540 3.627 -5.230 1.00 0.00 C ATOM 1051 CE1 HIS A 67 -15.429 4.335 -6.089 1.00 0.00 C ATOM 1052 NE2 HIS A 67 -14.579 4.514 -5.096 1.00 0.00 N ATOM 0 H HIS A 67 -11.466 -0.075 -7.439 1.00 0.00 H new ATOM 0 HA HIS A 67 -13.028 0.589 -5.205 1.00 0.00 H new ATOM 0 HB2 HIS A 67 -11.935 2.079 -6.985 1.00 0.00 H new ATOM 0 HB3 HIS A 67 -13.297 1.694 -8.018 1.00 0.00 H new ATOM 0 HD1 HIS A 67 -15.429 3.012 -7.700 1.00 0.00 H new ATOM 0 HD2 HIS A 67 -12.690 3.532 -4.571 1.00 0.00 H new ATOM 0 HE1 HIS A 67 -16.343 4.889 -6.247 1.00 0.00 H new ATOM 1061 N PRO A 68 -15.342 -0.370 -5.515 1.00 0.00 N ATOM 1062 CA PRO A 68 -16.682 -0.937 -5.684 1.00 0.00 C ATOM 1063 C PRO A 68 -17.474 -0.181 -6.740 1.00 0.00 C ATOM 1064 O PRO A 68 -18.412 -0.722 -7.325 1.00 0.00 O ATOM 1065 CB PRO A 68 -17.331 -0.815 -4.300 1.00 0.00 C ATOM 1066 CG PRO A 68 -16.429 0.074 -3.507 1.00 0.00 C ATOM 1067 CD PRO A 68 -15.054 -0.073 -4.105 1.00 0.00 C ATOM 0 HA PRO A 68 -16.651 -1.970 -6.031 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -18.333 -0.391 -4.373 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -17.432 -1.792 -3.827 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -16.765 1.110 -3.555 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -16.428 -0.212 -2.455 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -14.466 0.838 -3.996 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -14.490 -0.875 -3.630 1.00 0.00 H new ATOM 1075 N GLY A 69 -17.089 1.061 -6.996 1.00 0.00 N ATOM 1076 CA GLY A 69 -17.779 1.851 -7.993 1.00 0.00 C ATOM 1077 C GLY A 69 -18.759 2.839 -7.398 1.00 0.00 C ATOM 1078 O GLY A 69 -18.713 3.166 -6.211 1.00 0.00 O ATOM 0 H GLY A 69 -16.313 1.534 -6.532 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -17.045 2.392 -8.590 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -18.312 1.184 -8.671 1.00 0.00 H new ATOM 1082 N GLU A 70 -19.646 3.301 -8.264 1.00 0.00 N ATOM 1083 CA GLU A 70 -20.654 4.272 -7.872 1.00 0.00 C ATOM 1084 C GLU A 70 -21.822 3.589 -7.160 1.00 0.00 C ATOM 1085 O GLU A 70 -22.299 2.535 -7.584 1.00 0.00 O ATOM 1086 CB GLU A 70 -21.151 5.056 -9.089 1.00 0.00 C ATOM 1087 CG GLU A 70 -21.935 6.306 -8.732 1.00 0.00 C ATOM 1088 CD GLU A 70 -21.058 7.399 -8.154 1.00 0.00 C ATOM 1089 OE1 GLU A 70 -20.342 8.060 -8.936 1.00 0.00 O ATOM 1090 OE2 GLU A 70 -21.084 7.593 -6.920 1.00 0.00 O ATOM 0 H GLU A 70 -19.688 3.019 -9.243 1.00 0.00 H new ATOM 0 HA GLU A 70 -20.194 4.973 -7.175 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -20.295 5.338 -9.703 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -21.779 4.405 -9.697 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -22.438 6.682 -9.623 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -22.712 6.050 -8.012 1.00 0.00 H new ATOM 1097 N LEU A 71 -22.274 4.210 -6.071 1.00 0.00 N ATOM 1098 CA LEU A 71 -23.404 3.699 -5.299 1.00 0.00 C ATOM 1099 C LEU A 71 -24.666 4.420 -5.750 1.00 0.00 C ATOM 1100 O LEU A 71 -24.924 5.546 -5.326 1.00 0.00 O ATOM 1101 CB LEU A 71 -23.179 3.924 -3.796 1.00 0.00 C ATOM 1102 CG LEU A 71 -23.837 2.905 -2.847 1.00 0.00 C ATOM 1103 CD1 LEU A 71 -23.655 3.343 -1.403 1.00 0.00 C ATOM 1104 CD2 LEU A 71 -25.319 2.721 -3.156 1.00 0.00 C ATOM 0 H LEU A 71 -21.872 5.072 -5.703 1.00 0.00 H new ATOM 0 HA LEU A 71 -23.504 2.627 -5.469 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -22.106 3.924 -3.607 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -23.547 4.917 -3.540 1.00 0.00 H new ATOM 0 HG LEU A 71 -23.345 1.944 -2.999 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -24.124 2.616 -0.740 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -22.591 3.409 -1.174 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -24.119 4.318 -1.257 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -25.747 1.995 -2.465 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -25.835 3.675 -3.046 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -25.436 2.362 -4.178 1.00 0.00 H new ATOM 1116 N ARG A 72 -25.449 3.781 -6.611 1.00 0.00 N ATOM 1117 CA ARG A 72 -26.690 4.387 -7.076 1.00 0.00 C ATOM 1118 C ARG A 72 -27.619 4.601 -5.889 1.00 0.00 C ATOM 1119 O ARG A 72 -28.008 3.658 -5.199 1.00 0.00 O ATOM 1120 CB ARG A 72 -27.350 3.541 -8.165 1.00 0.00 C ATOM 1121 CG ARG A 72 -28.735 4.019 -8.563 1.00 0.00 C ATOM 1122 CD ARG A 72 -29.263 3.237 -9.754 1.00 0.00 C ATOM 1123 NE ARG A 72 -30.576 3.708 -10.184 1.00 0.00 N ATOM 1124 CZ ARG A 72 -31.104 3.431 -11.372 1.00 0.00 C ATOM 1125 NH1 ARG A 72 -30.429 2.693 -12.244 1.00 0.00 N ATOM 1126 NH2 ARG A 72 -32.306 3.891 -11.689 1.00 0.00 N ATOM 0 H ARG A 72 -25.251 2.858 -6.996 1.00 0.00 H new ATOM 0 HA ARG A 72 -26.468 5.354 -7.527 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -26.710 3.539 -9.047 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -27.418 2.510 -7.818 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -29.417 3.908 -7.720 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -28.700 5.081 -8.808 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -28.560 3.321 -10.582 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -29.325 2.180 -9.494 1.00 0.00 H new ATOM 0 HE ARG A 72 -31.118 4.281 -9.537 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -29.504 2.338 -12.003 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -30.835 2.481 -13.155 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -32.827 4.459 -11.021 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -32.710 3.677 -12.601 1.00 0.00 H new ATOM 1140 N ASN A 73 -27.958 5.871 -5.672 1.00 0.00 N ATOM 1141 CA ASN A 73 -28.765 6.271 -4.534 1.00 0.00 C ATOM 1142 C ASN A 73 -27.966 5.930 -3.293 1.00 0.00 C ATOM 1143 O ASN A 73 -28.479 5.325 -2.354 1.00 0.00 O ATOM 1144 CB ASN A 73 -30.126 5.566 -4.522 1.00 0.00 C ATOM 1145 CG ASN A 73 -30.974 5.920 -5.726 1.00 0.00 C ATOM 1146 OD1 ASN A 73 -31.644 6.952 -5.746 1.00 0.00 O ATOM 1147 ND2 ASN A 73 -30.955 5.060 -6.735 1.00 0.00 N ATOM 0 H ASN A 73 -27.680 6.642 -6.279 1.00 0.00 H new ATOM 0 HA ASN A 73 -28.982 7.338 -4.582 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -29.972 4.487 -4.495 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -30.663 5.835 -3.612 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -31.511 5.242 -7.571 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -30.385 4.216 -6.675 1.00 0.00 H new ATOM 1154 N GLY A 74 -26.705 6.348 -3.292 1.00 0.00 N ATOM 1155 CA GLY A 74 -25.843 6.054 -2.174 1.00 0.00 C ATOM 1156 C GLY A 74 -24.505 6.762 -2.259 1.00 0.00 C ATOM 1157 O GLY A 74 -24.213 7.441 -3.243 1.00 0.00 O ATOM 0 H GLY A 74 -26.270 6.883 -4.044 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -26.343 6.343 -1.250 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -25.677 4.978 -2.123 1.00 0.00 H new ATOM 1161 N GLN A 75 -23.690 6.601 -1.220 1.00 0.00 N ATOM 1162 CA GLN A 75 -22.376 7.232 -1.175 1.00 0.00 C ATOM 1163 C GLN A 75 -21.303 6.246 -0.716 1.00 0.00 C ATOM 1164 O GLN A 75 -21.500 5.497 0.241 1.00 0.00 O ATOM 1165 CB GLN A 75 -22.399 8.448 -0.245 1.00 0.00 C ATOM 1166 CG GLN A 75 -21.111 9.255 -0.269 1.00 0.00 C ATOM 1167 CD GLN A 75 -21.170 10.477 0.626 1.00 0.00 C ATOM 1168 OE1 GLN A 75 -20.812 10.419 1.803 1.00 0.00 O ATOM 1169 NE2 GLN A 75 -21.625 11.595 0.072 1.00 0.00 N ATOM 0 H GLN A 75 -23.917 6.039 -0.399 1.00 0.00 H new ATOM 0 HA GLN A 75 -22.130 7.559 -2.185 1.00 0.00 H new ATOM 0 HB2 GLN A 75 -23.229 9.095 -0.527 1.00 0.00 H new ATOM 0 HB3 GLN A 75 -22.589 8.112 0.774 1.00 0.00 H new ATOM 0 HG2 GLN A 75 -20.283 8.619 0.045 1.00 0.00 H new ATOM 0 HG3 GLN A 75 -20.902 9.569 -1.292 1.00 0.00 H new ATOM 0 HE21 GLN A 75 -21.911 11.599 -0.907 1.00 0.00 H new ATOM 0 HE22 GLN A 75 -21.688 12.449 0.626 1.00 0.00 H new ATOM 1178 N VAL A 76 -20.170 6.261 -1.410 1.00 0.00 N ATOM 1179 CA VAL A 76 -19.059 5.376 -1.070 1.00 0.00 C ATOM 1180 C VAL A 76 -17.949 6.157 -0.382 1.00 0.00 C ATOM 1181 O VAL A 76 -17.252 6.947 -1.019 1.00 0.00 O ATOM 1182 CB VAL A 76 -18.482 4.666 -2.308 1.00 0.00 C ATOM 1183 CG1 VAL A 76 -17.252 3.852 -1.927 1.00 0.00 C ATOM 1184 CG2 VAL A 76 -19.537 3.782 -2.957 1.00 0.00 C ATOM 0 H VAL A 76 -19.996 6.873 -2.208 1.00 0.00 H new ATOM 0 HA VAL A 76 -19.455 4.617 -0.395 1.00 0.00 H new ATOM 0 HB VAL A 76 -18.181 5.422 -3.033 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -16.855 3.356 -2.813 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -16.492 4.514 -1.511 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -17.527 3.103 -1.184 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -19.111 3.288 -3.830 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -19.871 3.030 -2.242 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -20.385 4.394 -3.264 1.00 0.00 H new ATOM 1194 N GLU A 77 -17.784 5.936 0.917 1.00 0.00 N ATOM 1195 CA GLU A 77 -16.750 6.630 1.674 1.00 0.00 C ATOM 1196 C GLU A 77 -15.361 6.103 1.319 1.00 0.00 C ATOM 1197 O GLU A 77 -14.966 5.023 1.755 1.00 0.00 O ATOM 1198 CB GLU A 77 -16.998 6.477 3.174 1.00 0.00 C ATOM 1199 CG GLU A 77 -15.941 7.147 4.035 1.00 0.00 C ATOM 1200 CD GLU A 77 -15.846 8.640 3.789 1.00 0.00 C ATOM 1201 OE1 GLU A 77 -16.737 9.377 4.262 1.00 0.00 O ATOM 1202 OE2 GLU A 77 -14.882 9.071 3.121 1.00 0.00 O ATOM 0 H GLU A 77 -18.349 5.287 1.465 1.00 0.00 H new ATOM 0 HA GLU A 77 -16.793 7.687 1.410 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -17.974 6.898 3.418 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -17.038 5.416 3.421 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -16.169 6.970 5.086 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -14.972 6.688 3.837 1.00 0.00 H new ATOM 1209 N ILE A 78 -14.629 6.876 0.524 1.00 0.00 N ATOM 1210 CA ILE A 78 -13.279 6.507 0.114 1.00 0.00 C ATOM 1211 C ILE A 78 -12.283 7.562 0.582 1.00 0.00 C ATOM 1212 O ILE A 78 -12.567 8.759 0.522 1.00 0.00 O ATOM 1213 CB ILE A 78 -13.174 6.333 -1.416 1.00 0.00 C ATOM 1214 CG1 ILE A 78 -13.922 5.071 -1.858 1.00 0.00 C ATOM 1215 CG2 ILE A 78 -11.716 6.274 -1.855 1.00 0.00 C ATOM 1216 CD1 ILE A 78 -13.298 3.783 -1.363 1.00 0.00 C ATOM 0 H ILE A 78 -14.951 7.768 0.149 1.00 0.00 H new ATOM 0 HA ILE A 78 -13.044 5.549 0.578 1.00 0.00 H new ATOM 0 HB ILE A 78 -13.636 7.197 -1.894 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -14.950 5.126 -1.501 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -13.964 5.048 -2.947 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -11.666 6.151 -2.937 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -11.213 7.198 -1.571 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -11.224 5.430 -1.371 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -13.884 2.935 -1.717 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -12.279 3.703 -1.742 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -13.281 3.782 -0.273 1.00 0.00 H new ATOM 1228 N LYS A 79 -11.117 7.120 1.046 1.00 0.00 N ATOM 1229 CA LYS A 79 -10.107 8.043 1.550 1.00 0.00 C ATOM 1230 C LYS A 79 -8.785 7.346 1.814 1.00 0.00 C ATOM 1231 O LYS A 79 -7.990 7.799 2.638 1.00 0.00 O ATOM 1232 CB LYS A 79 -10.592 8.672 2.851 1.00 0.00 C ATOM 1233 CG LYS A 79 -10.777 7.667 3.988 1.00 0.00 C ATOM 1234 CD LYS A 79 -11.730 6.537 3.614 1.00 0.00 C ATOM 1235 CE LYS A 79 -12.275 5.832 4.845 1.00 0.00 C ATOM 1236 NZ LYS A 79 -13.365 4.879 4.498 1.00 0.00 N ATOM 0 H LYS A 79 -10.850 6.136 1.083 1.00 0.00 H new ATOM 0 HA LYS A 79 -9.950 8.805 0.786 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -9.878 9.434 3.164 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -11.540 9.179 2.668 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -9.808 7.247 4.260 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -11.158 8.184 4.868 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -12.557 6.937 3.028 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -11.210 5.817 2.982 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -11.468 5.295 5.344 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -12.650 6.572 5.552 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -14.197 5.072 5.091 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -13.620 4.993 3.496 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -13.040 3.905 4.664 1.00 0.00 H new ATOM 1250 N THR A 80 -8.545 6.260 1.112 1.00 0.00 N ATOM 1251 CA THR A 80 -7.315 5.519 1.307 1.00 0.00 C ATOM 1252 C THR A 80 -6.809 4.932 0.006 1.00 0.00 C ATOM 1253 O THR A 80 -5.882 4.121 0.008 1.00 0.00 O ATOM 1254 CB THR A 80 -7.510 4.392 2.333 1.00 0.00 C ATOM 1255 OG1 THR A 80 -8.552 3.509 1.900 1.00 0.00 O ATOM 1256 CG2 THR A 80 -7.857 4.967 3.699 1.00 0.00 C ATOM 0 H THR A 80 -9.175 5.873 0.409 1.00 0.00 H new ATOM 0 HA THR A 80 -6.574 6.224 1.684 1.00 0.00 H new ATOM 0 HB THR A 80 -6.577 3.834 2.415 1.00 0.00 H new ATOM 0 HG1 THR A 80 -9.189 3.371 2.632 1.00 0.00 H new ATOM 0 HG21 THR A 80 -7.991 4.154 4.413 1.00 0.00 H new ATOM 0 HG22 THR A 80 -7.049 5.616 4.036 1.00 0.00 H new ATOM 0 HG23 THR A 80 -8.779 5.543 3.628 1.00 0.00 H new ATOM 1264 N ASP A 81 -7.415 5.341 -1.108 1.00 0.00 N ATOM 1265 CA ASP A 81 -6.992 4.828 -2.410 1.00 0.00 C ATOM 1266 C ASP A 81 -7.123 3.312 -2.446 1.00 0.00 C ATOM 1267 O ASP A 81 -6.671 2.653 -3.384 1.00 0.00 O ATOM 1268 CB ASP A 81 -5.533 5.195 -2.644 1.00 0.00 C ATOM 1269 CG ASP A 81 -5.292 6.691 -2.610 1.00 0.00 C ATOM 1270 OD1 ASP A 81 -5.483 7.299 -1.535 1.00 0.00 O ATOM 1271 OD2 ASP A 81 -4.912 7.257 -3.656 1.00 0.00 O ATOM 0 H ASP A 81 -8.184 6.011 -1.137 1.00 0.00 H new ATOM 0 HA ASP A 81 -7.624 5.266 -3.183 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -4.916 4.715 -1.885 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -5.214 4.802 -3.609 1.00 0.00 H new ATOM 1276 N LEU A 82 -7.745 2.776 -1.406 1.00 0.00 N ATOM 1277 CA LEU A 82 -7.934 1.343 -1.258 1.00 0.00 C ATOM 1278 C LEU A 82 -6.578 0.657 -1.147 1.00 0.00 C ATOM 1279 O LEU A 82 -6.274 -0.265 -1.899 1.00 0.00 O ATOM 1280 CB LEU A 82 -8.729 0.770 -2.433 1.00 0.00 C ATOM 1281 CG LEU A 82 -10.214 1.148 -2.471 1.00 0.00 C ATOM 1282 CD1 LEU A 82 -10.810 1.144 -1.070 1.00 0.00 C ATOM 1283 CD2 LEU A 82 -10.399 2.509 -3.125 1.00 0.00 C ATOM 0 H LEU A 82 -8.133 3.326 -0.640 1.00 0.00 H new ATOM 0 HA LEU A 82 -8.505 1.159 -0.348 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -8.263 1.102 -3.361 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -8.649 -0.317 -2.408 1.00 0.00 H new ATOM 0 HG LEU A 82 -10.741 0.402 -3.066 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -11.864 1.415 -1.122 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -10.712 0.149 -0.636 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -10.280 1.865 -0.447 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -11.459 2.762 -3.144 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -9.856 3.263 -2.556 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -10.015 2.478 -4.145 1.00 0.00 H new ATOM 1295 N SER A 83 -5.774 1.108 -0.194 1.00 0.00 N ATOM 1296 CA SER A 83 -4.444 0.543 0.006 1.00 0.00 C ATOM 1297 C SER A 83 -4.491 -0.717 0.866 1.00 0.00 C ATOM 1298 O SER A 83 -3.517 -1.041 1.547 1.00 0.00 O ATOM 1299 CB SER A 83 -3.519 1.579 0.645 1.00 0.00 C ATOM 1300 OG SER A 83 -4.026 2.016 1.894 1.00 0.00 O ATOM 0 H SER A 83 -6.017 1.860 0.451 1.00 0.00 H new ATOM 0 HA SER A 83 -4.053 0.265 -0.973 1.00 0.00 H new ATOM 0 HB2 SER A 83 -2.527 1.149 0.782 1.00 0.00 H new ATOM 0 HB3 SER A 83 -3.407 2.432 -0.024 1.00 0.00 H new ATOM 0 HG SER A 83 -3.415 2.677 2.282 1.00 0.00 H new ATOM 1306 N PHE A 84 -5.612 -1.438 0.819 1.00 0.00 N ATOM 1307 CA PHE A 84 -5.792 -2.669 1.587 1.00 0.00 C ATOM 1308 C PHE A 84 -5.689 -2.424 3.090 1.00 0.00 C ATOM 1309 O PHE A 84 -4.842 -1.662 3.555 1.00 0.00 O ATOM 1310 CB PHE A 84 -4.768 -3.725 1.162 1.00 0.00 C ATOM 1311 CG PHE A 84 -4.658 -4.874 2.126 1.00 0.00 C ATOM 1312 CD1 PHE A 84 -5.746 -5.696 2.377 1.00 0.00 C ATOM 1313 CD2 PHE A 84 -3.469 -5.126 2.788 1.00 0.00 C ATOM 1314 CE1 PHE A 84 -5.647 -6.746 3.270 1.00 0.00 C ATOM 1315 CE2 PHE A 84 -3.364 -6.174 3.683 1.00 0.00 C ATOM 1316 CZ PHE A 84 -4.455 -6.985 3.923 1.00 0.00 C ATOM 0 H PHE A 84 -6.419 -1.185 0.248 1.00 0.00 H new ATOM 0 HA PHE A 84 -6.797 -3.035 1.374 1.00 0.00 H new ATOM 0 HB2 PHE A 84 -5.041 -4.110 0.179 1.00 0.00 H new ATOM 0 HB3 PHE A 84 -3.791 -3.252 1.059 1.00 0.00 H new ATOM 0 HD1 PHE A 84 -6.681 -5.514 1.869 1.00 0.00 H new ATOM 0 HD2 PHE A 84 -2.612 -4.495 2.603 1.00 0.00 H new ATOM 0 HE1 PHE A 84 -6.502 -7.379 3.457 1.00 0.00 H new ATOM 0 HE2 PHE A 84 -2.430 -6.358 4.194 1.00 0.00 H new ATOM 0 HZ PHE A 84 -4.376 -7.805 4.621 1.00 0.00 H new ATOM 1326 N GLY A 85 -6.566 -3.080 3.843 1.00 0.00 N ATOM 1327 CA GLY A 85 -6.559 -2.937 5.284 1.00 0.00 C ATOM 1328 C GLY A 85 -7.362 -1.743 5.751 1.00 0.00 C ATOM 1329 O GLY A 85 -6.978 -1.068 6.707 1.00 0.00 O ATOM 0 H GLY A 85 -7.282 -3.709 3.479 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -6.962 -3.842 5.738 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -5.531 -2.838 5.631 1.00 0.00 H new ATOM 1333 N SER A 86 -8.478 -1.475 5.081 1.00 0.00 N ATOM 1334 CA SER A 86 -9.322 -0.346 5.451 1.00 0.00 C ATOM 1335 C SER A 86 -10.802 -0.682 5.358 1.00 0.00 C ATOM 1336 O SER A 86 -11.207 -1.648 4.712 1.00 0.00 O ATOM 1337 CB SER A 86 -9.024 0.871 4.578 1.00 0.00 C ATOM 1338 OG SER A 86 -9.120 0.550 3.202 1.00 0.00 O ATOM 0 H SER A 86 -8.816 -2.018 4.287 1.00 0.00 H new ATOM 0 HA SER A 86 -9.089 -0.113 6.490 1.00 0.00 H new ATOM 0 HB2 SER A 86 -9.723 1.673 4.817 1.00 0.00 H new ATOM 0 HB3 SER A 86 -8.024 1.244 4.798 1.00 0.00 H new ATOM 0 HG SER A 86 -8.971 1.357 2.667 1.00 0.00 H new ATOM 1344 N GLN A 87 -11.591 0.144 6.024 1.00 0.00 N ATOM 1345 CA GLN A 87 -13.034 -0.019 6.048 1.00 0.00 C ATOM 1346 C GLN A 87 -13.699 1.173 5.362 1.00 0.00 C ATOM 1347 O GLN A 87 -13.347 2.322 5.625 1.00 0.00 O ATOM 1348 CB GLN A 87 -13.521 -0.166 7.494 1.00 0.00 C ATOM 1349 CG GLN A 87 -15.029 -0.300 7.634 1.00 0.00 C ATOM 1350 CD GLN A 87 -15.754 0.999 7.349 1.00 0.00 C ATOM 1351 OE1 GLN A 87 -16.899 0.998 6.900 1.00 0.00 O ATOM 1352 NE2 GLN A 87 -15.078 2.115 7.603 1.00 0.00 N ATOM 0 H GLN A 87 -11.251 0.942 6.560 1.00 0.00 H new ATOM 0 HA GLN A 87 -13.307 -0.924 5.505 1.00 0.00 H new ATOM 0 HB2 GLN A 87 -13.047 -1.042 7.938 1.00 0.00 H new ATOM 0 HB3 GLN A 87 -13.190 0.700 8.067 1.00 0.00 H new ATOM 0 HG2 GLN A 87 -15.387 -1.070 6.951 1.00 0.00 H new ATOM 0 HG3 GLN A 87 -15.269 -0.633 8.644 1.00 0.00 H new ATOM 0 HE21 GLN A 87 -14.130 2.063 7.975 1.00 0.00 H new ATOM 0 HE22 GLN A 87 -15.507 3.023 7.426 1.00 0.00 H new ATOM 1361 N ILE A 88 -14.654 0.895 4.478 1.00 0.00 N ATOM 1362 CA ILE A 88 -15.360 1.951 3.758 1.00 0.00 C ATOM 1363 C ILE A 88 -16.872 1.775 3.865 1.00 0.00 C ATOM 1364 O ILE A 88 -17.466 0.942 3.179 1.00 0.00 O ATOM 1365 CB ILE A 88 -14.943 2.002 2.271 1.00 0.00 C ATOM 1366 CG1 ILE A 88 -15.155 0.648 1.594 1.00 0.00 C ATOM 1367 CG2 ILE A 88 -13.488 2.430 2.150 1.00 0.00 C ATOM 1368 CD1 ILE A 88 -15.113 0.712 0.084 1.00 0.00 C ATOM 0 H ILE A 88 -14.956 -0.051 4.243 1.00 0.00 H new ATOM 0 HA ILE A 88 -15.082 2.895 4.226 1.00 0.00 H new ATOM 0 HB ILE A 88 -15.572 2.734 1.766 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -14.389 -0.046 1.941 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -16.118 0.242 1.905 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -13.205 2.463 1.098 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -13.362 3.419 2.591 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -12.854 1.715 2.675 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -15.271 -0.285 -0.327 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -15.896 1.380 -0.274 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -14.141 1.087 -0.237 1.00 0.00 H new ATOM 1380 N GLU A 89 -17.493 2.561 4.741 1.00 0.00 N ATOM 1381 CA GLU A 89 -18.937 2.486 4.939 1.00 0.00 C ATOM 1382 C GLU A 89 -19.670 2.988 3.703 1.00 0.00 C ATOM 1383 O GLU A 89 -19.050 3.365 2.709 1.00 0.00 O ATOM 1384 CB GLU A 89 -19.371 3.309 6.158 1.00 0.00 C ATOM 1385 CG GLU A 89 -18.256 3.581 7.156 1.00 0.00 C ATOM 1386 CD GLU A 89 -18.703 4.468 8.301 1.00 0.00 C ATOM 1387 OE1 GLU A 89 -18.810 5.695 8.093 1.00 0.00 O ATOM 1388 OE2 GLU A 89 -18.945 3.937 9.406 1.00 0.00 O ATOM 0 H GLU A 89 -17.021 3.254 5.322 1.00 0.00 H new ATOM 0 HA GLU A 89 -19.193 1.441 5.113 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -19.776 4.261 5.814 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -20.179 2.784 6.667 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -17.892 2.634 7.555 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -17.419 4.053 6.641 1.00 0.00 H new ATOM 1395 N PHE A 90 -20.994 2.991 3.776 1.00 0.00 N ATOM 1396 CA PHE A 90 -21.819 3.451 2.669 1.00 0.00 C ATOM 1397 C PHE A 90 -22.925 4.366 3.183 1.00 0.00 C ATOM 1398 O PHE A 90 -23.001 4.642 4.379 1.00 0.00 O ATOM 1399 CB PHE A 90 -22.406 2.253 1.920 1.00 0.00 C ATOM 1400 CG PHE A 90 -21.364 1.249 1.506 1.00 0.00 C ATOM 1401 CD1 PHE A 90 -20.707 1.368 0.289 1.00 0.00 C ATOM 1402 CD2 PHE A 90 -21.036 0.189 2.338 1.00 0.00 C ATOM 1403 CE1 PHE A 90 -19.746 0.450 -0.088 1.00 0.00 C ATOM 1404 CE2 PHE A 90 -20.075 -0.732 1.964 1.00 0.00 C ATOM 1405 CZ PHE A 90 -19.431 -0.601 0.749 1.00 0.00 C ATOM 0 H PHE A 90 -21.520 2.679 4.592 1.00 0.00 H new ATOM 0 HA PHE A 90 -21.201 4.020 1.975 1.00 0.00 H new ATOM 0 HB2 PHE A 90 -23.144 1.762 2.554 1.00 0.00 H new ATOM 0 HB3 PHE A 90 -22.932 2.608 1.034 1.00 0.00 H new ATOM 0 HD1 PHE A 90 -20.950 2.188 -0.371 1.00 0.00 H new ATOM 0 HD2 PHE A 90 -21.537 0.082 3.289 1.00 0.00 H new ATOM 0 HE1 PHE A 90 -19.242 0.555 -1.037 1.00 0.00 H new ATOM 0 HE2 PHE A 90 -19.828 -1.553 2.621 1.00 0.00 H new ATOM 0 HZ PHE A 90 -18.682 -1.321 0.454 1.00 0.00 H new ATOM 1415 N SER A 91 -23.784 4.831 2.282 1.00 0.00 N ATOM 1416 CA SER A 91 -24.865 5.728 2.682 1.00 0.00 C ATOM 1417 C SER A 91 -25.977 5.793 1.645 1.00 0.00 C ATOM 1418 O SER A 91 -25.790 6.324 0.556 1.00 0.00 O ATOM 1419 CB SER A 91 -24.327 7.136 2.934 1.00 0.00 C ATOM 1420 OG SER A 91 -23.413 7.154 4.017 1.00 0.00 O ATOM 0 H SER A 91 -23.756 4.608 1.287 1.00 0.00 H new ATOM 0 HA SER A 91 -25.286 5.321 3.602 1.00 0.00 H new ATOM 0 HB2 SER A 91 -23.835 7.506 2.034 1.00 0.00 H new ATOM 0 HB3 SER A 91 -25.156 7.812 3.144 1.00 0.00 H new ATOM 0 HG SER A 91 -23.451 6.297 4.491 1.00 0.00 H new ATOM 1426 N CYS A 92 -27.139 5.268 2.010 1.00 0.00 N ATOM 1427 CA CYS A 92 -28.278 5.293 1.102 1.00 0.00 C ATOM 1428 C CYS A 92 -29.031 6.616 1.263 1.00 0.00 C ATOM 1429 O CYS A 92 -29.405 7.004 2.369 1.00 0.00 O ATOM 1430 CB CYS A 92 -29.198 4.093 1.333 1.00 0.00 C ATOM 1431 SG CYS A 92 -28.497 2.498 0.786 1.00 0.00 S ATOM 0 H CYS A 92 -27.317 4.827 2.912 1.00 0.00 H new ATOM 0 HA CYS A 92 -27.915 5.220 0.077 1.00 0.00 H new ATOM 0 HB2 CYS A 92 -29.433 4.029 2.395 1.00 0.00 H new ATOM 0 HB3 CYS A 92 -30.138 4.263 0.808 1.00 0.00 H new ATOM 1436 N SER A 93 -29.221 7.298 0.138 1.00 0.00 N ATOM 1437 CA SER A 93 -29.891 8.606 0.102 1.00 0.00 C ATOM 1438 C SER A 93 -31.124 8.709 1.005 1.00 0.00 C ATOM 1439 O SER A 93 -31.637 7.722 1.525 1.00 0.00 O ATOM 1440 CB SER A 93 -30.303 8.943 -1.329 1.00 0.00 C ATOM 1441 OG SER A 93 -29.178 9.287 -2.118 1.00 0.00 O ATOM 0 H SER A 93 -28.917 6.965 -0.777 1.00 0.00 H new ATOM 0 HA SER A 93 -29.159 9.318 0.484 1.00 0.00 H new ATOM 0 HB2 SER A 93 -30.815 8.090 -1.773 1.00 0.00 H new ATOM 0 HB3 SER A 93 -31.012 9.771 -1.321 1.00 0.00 H new ATOM 0 HG SER A 93 -29.470 9.497 -3.030 1.00 0.00 H new ATOM 1447 N GLU A 94 -31.581 9.950 1.158 1.00 0.00 N ATOM 1448 CA GLU A 94 -32.758 10.303 1.957 1.00 0.00 C ATOM 1449 C GLU A 94 -33.854 9.239 1.954 1.00 0.00 C ATOM 1450 O GLU A 94 -34.028 8.516 2.935 1.00 0.00 O ATOM 1451 CB GLU A 94 -33.333 11.622 1.438 1.00 0.00 C ATOM 1452 CG GLU A 94 -34.686 11.974 2.030 1.00 0.00 C ATOM 1453 CD GLU A 94 -35.253 13.263 1.468 1.00 0.00 C ATOM 1454 OE1 GLU A 94 -35.972 13.202 0.448 1.00 0.00 O ATOM 1455 OE2 GLU A 94 -34.980 14.334 2.051 1.00 0.00 O ATOM 0 H GLU A 94 -31.136 10.757 0.722 1.00 0.00 H new ATOM 0 HA GLU A 94 -32.420 10.390 2.989 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -32.630 12.426 1.658 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -33.425 11.566 0.353 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -35.385 11.160 1.838 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -34.592 12.065 3.112 1.00 0.00 H new ATOM 1462 N GLY A 95 -34.585 9.145 0.859 1.00 0.00 N ATOM 1463 CA GLY A 95 -35.702 8.218 0.788 1.00 0.00 C ATOM 1464 C GLY A 95 -35.312 6.755 0.791 1.00 0.00 C ATOM 1465 O GLY A 95 -36.139 5.903 1.106 1.00 0.00 O ATOM 0 H GLY A 95 -34.429 9.693 0.013 1.00 0.00 H new ATOM 0 HA2 GLY A 95 -36.366 8.405 1.632 1.00 0.00 H new ATOM 0 HA3 GLY A 95 -36.272 8.426 -0.117 1.00 0.00 H new ATOM 1469 N PHE A 96 -34.070 6.444 0.454 1.00 0.00 N ATOM 1470 CA PHE A 96 -33.653 5.046 0.397 1.00 0.00 C ATOM 1471 C PHE A 96 -32.665 4.722 1.515 1.00 0.00 C ATOM 1472 O PHE A 96 -31.635 5.375 1.650 1.00 0.00 O ATOM 1473 CB PHE A 96 -33.016 4.740 -0.960 1.00 0.00 C ATOM 1474 CG PHE A 96 -33.684 5.447 -2.105 1.00 0.00 C ATOM 1475 CD1 PHE A 96 -34.762 4.872 -2.758 1.00 0.00 C ATOM 1476 CD2 PHE A 96 -33.237 6.689 -2.524 1.00 0.00 C ATOM 1477 CE1 PHE A 96 -35.381 5.523 -3.807 1.00 0.00 C ATOM 1478 CE2 PHE A 96 -33.851 7.345 -3.574 1.00 0.00 C ATOM 1479 CZ PHE A 96 -34.925 6.761 -4.217 1.00 0.00 C ATOM 0 H PHE A 96 -33.345 7.122 0.220 1.00 0.00 H new ATOM 0 HA PHE A 96 -34.539 4.425 0.529 1.00 0.00 H new ATOM 0 HB2 PHE A 96 -31.964 5.024 -0.932 1.00 0.00 H new ATOM 0 HB3 PHE A 96 -33.052 3.665 -1.136 1.00 0.00 H new ATOM 0 HD1 PHE A 96 -35.122 3.904 -2.443 1.00 0.00 H new ATOM 0 HD2 PHE A 96 -32.398 7.151 -2.024 1.00 0.00 H new ATOM 0 HE1 PHE A 96 -36.221 5.064 -4.307 1.00 0.00 H new ATOM 0 HE2 PHE A 96 -33.492 8.313 -3.891 1.00 0.00 H new ATOM 0 HZ PHE A 96 -35.407 7.271 -5.038 1.00 0.00 H new ATOM 1489 N PHE A 97 -32.987 3.712 2.323 1.00 0.00 N ATOM 1490 CA PHE A 97 -32.112 3.308 3.419 1.00 0.00 C ATOM 1491 C PHE A 97 -31.131 2.241 2.952 1.00 0.00 C ATOM 1492 O PHE A 97 -31.257 1.685 1.861 1.00 0.00 O ATOM 1493 CB PHE A 97 -32.925 2.821 4.626 1.00 0.00 C ATOM 1494 CG PHE A 97 -33.702 1.556 4.396 1.00 0.00 C ATOM 1495 CD1 PHE A 97 -34.788 1.539 3.538 1.00 0.00 C ATOM 1496 CD2 PHE A 97 -33.355 0.388 5.056 1.00 0.00 C ATOM 1497 CE1 PHE A 97 -35.513 0.380 3.338 1.00 0.00 C ATOM 1498 CE2 PHE A 97 -34.079 -0.774 4.863 1.00 0.00 C ATOM 1499 CZ PHE A 97 -35.159 -0.778 4.002 1.00 0.00 C ATOM 0 H PHE A 97 -33.842 3.163 2.239 1.00 0.00 H new ATOM 0 HA PHE A 97 -31.541 4.180 3.738 1.00 0.00 H new ATOM 0 HB2 PHE A 97 -32.246 2.666 5.464 1.00 0.00 H new ATOM 0 HB3 PHE A 97 -33.619 3.608 4.920 1.00 0.00 H new ATOM 0 HD1 PHE A 97 -35.072 2.442 3.019 1.00 0.00 H new ATOM 0 HD2 PHE A 97 -32.510 0.385 5.728 1.00 0.00 H new ATOM 0 HE1 PHE A 97 -36.356 0.380 2.663 1.00 0.00 H new ATOM 0 HE2 PHE A 97 -33.800 -1.678 5.385 1.00 0.00 H new ATOM 0 HZ PHE A 97 -35.725 -1.685 3.848 1.00 0.00 H new ATOM 1509 N LEU A 98 -30.155 1.971 3.810 1.00 0.00 N ATOM 1510 CA LEU A 98 -29.118 0.997 3.506 1.00 0.00 C ATOM 1511 C LEU A 98 -29.504 -0.402 3.962 1.00 0.00 C ATOM 1512 O LEU A 98 -30.114 -0.586 5.015 1.00 0.00 O ATOM 1513 CB LEU A 98 -27.802 1.405 4.155 1.00 0.00 C ATOM 1514 CG LEU A 98 -26.580 0.639 3.650 1.00 0.00 C ATOM 1515 CD1 LEU A 98 -25.327 1.478 3.820 1.00 0.00 C ATOM 1516 CD2 LEU A 98 -26.442 -0.691 4.374 1.00 0.00 C ATOM 0 H LEU A 98 -30.061 2.415 4.724 1.00 0.00 H new ATOM 0 HA LEU A 98 -28.999 0.976 2.423 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -27.643 2.470 3.985 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -27.884 1.263 5.233 1.00 0.00 H new ATOM 0 HG LEU A 98 -26.715 0.432 2.588 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -24.464 0.921 3.456 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -25.428 2.402 3.251 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -25.188 1.715 4.875 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -25.566 -1.220 3.999 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -26.329 -0.513 5.443 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -27.333 -1.295 4.199 1.00 0.00 H new ATOM 1528 N ILE A 99 -29.137 -1.382 3.147 1.00 0.00 N ATOM 1529 CA ILE A 99 -29.398 -2.791 3.420 1.00 0.00 C ATOM 1530 C ILE A 99 -28.426 -3.642 2.625 1.00 0.00 C ATOM 1531 O ILE A 99 -28.588 -3.870 1.427 1.00 0.00 O ATOM 1532 CB ILE A 99 -30.824 -3.207 3.017 1.00 0.00 C ATOM 1533 CG1 ILE A 99 -31.685 -1.978 2.753 1.00 0.00 C ATOM 1534 CG2 ILE A 99 -31.446 -4.078 4.097 1.00 0.00 C ATOM 1535 CD1 ILE A 99 -32.933 -2.263 1.948 1.00 0.00 C ATOM 0 H ILE A 99 -28.645 -1.220 2.268 1.00 0.00 H new ATOM 0 HA ILE A 99 -29.280 -2.939 4.493 1.00 0.00 H new ATOM 0 HB ILE A 99 -30.769 -3.788 2.096 1.00 0.00 H new ATOM 0 HG12 ILE A 99 -31.973 -1.537 3.707 1.00 0.00 H new ATOM 0 HG13 ILE A 99 -31.087 -1.234 2.226 1.00 0.00 H new ATOM 0 HG21 ILE A 99 -32.454 -4.364 3.798 1.00 0.00 H new ATOM 0 HG22 ILE A 99 -30.841 -4.974 4.236 1.00 0.00 H new ATOM 0 HG23 ILE A 99 -31.490 -3.521 5.033 1.00 0.00 H new ATOM 0 HD11 ILE A 99 -33.491 -1.338 1.803 1.00 0.00 H new ATOM 0 HD12 ILE A 99 -32.654 -2.675 0.978 1.00 0.00 H new ATOM 0 HD13 ILE A 99 -33.554 -2.982 2.482 1.00 0.00 H new ATOM 1547 N GLY A 100 -27.408 -4.103 3.341 1.00 0.00 N ATOM 1548 CA GLY A 100 -26.364 -4.920 2.759 1.00 0.00 C ATOM 1549 C GLY A 100 -25.237 -5.163 3.741 1.00 0.00 C ATOM 1550 O GLY A 100 -24.980 -6.295 4.149 1.00 0.00 O ATOM 0 H GLY A 100 -27.288 -3.919 4.337 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -26.783 -5.875 2.441 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -25.972 -4.431 1.867 1.00 0.00 H new ATOM 1554 N SER A 101 -24.580 -4.073 4.115 1.00 0.00 N ATOM 1555 CA SER A 101 -23.460 -4.088 5.052 1.00 0.00 C ATOM 1556 C SER A 101 -22.835 -2.704 5.061 1.00 0.00 C ATOM 1557 O SER A 101 -22.129 -2.334 4.124 1.00 0.00 O ATOM 1558 CB SER A 101 -22.418 -5.135 4.647 1.00 0.00 C ATOM 1559 OG SER A 101 -21.339 -5.162 5.563 1.00 0.00 O ATOM 0 H SER A 101 -24.812 -3.140 3.773 1.00 0.00 H new ATOM 0 HA SER A 101 -23.819 -4.351 6.047 1.00 0.00 H new ATOM 0 HB2 SER A 101 -22.885 -6.119 4.602 1.00 0.00 H new ATOM 0 HB3 SER A 101 -22.045 -4.913 3.647 1.00 0.00 H new ATOM 0 HG SER A 101 -20.612 -4.596 5.229 1.00 0.00 H new ATOM 1565 N THR A 102 -23.094 -1.930 6.112 1.00 0.00 N ATOM 1566 CA THR A 102 -22.591 -0.566 6.198 1.00 0.00 C ATOM 1567 C THR A 102 -21.083 -0.516 6.415 1.00 0.00 C ATOM 1568 O THR A 102 -20.557 0.491 6.890 1.00 0.00 O ATOM 1569 CB THR A 102 -23.275 0.211 7.338 1.00 0.00 C ATOM 1570 OG1 THR A 102 -23.050 -0.455 8.586 1.00 0.00 O ATOM 1571 CG2 THR A 102 -24.770 0.341 7.094 1.00 0.00 C ATOM 0 H THR A 102 -23.649 -2.226 6.915 1.00 0.00 H new ATOM 0 HA THR A 102 -22.823 -0.102 5.240 1.00 0.00 H new ATOM 0 HB THR A 102 -22.843 1.211 7.371 1.00 0.00 H new ATOM 0 HG1 THR A 102 -23.486 0.045 9.307 1.00 0.00 H new ATOM 0 HG21 THR A 102 -25.226 0.894 7.915 1.00 0.00 H new ATOM 0 HG22 THR A 102 -24.941 0.874 6.159 1.00 0.00 H new ATOM 0 HG23 THR A 102 -25.216 -0.652 7.033 1.00 0.00 H new ATOM 1579 N THR A 103 -20.392 -1.589 6.065 1.00 0.00 N ATOM 1580 CA THR A 103 -18.952 -1.653 6.219 1.00 0.00 C ATOM 1581 C THR A 103 -18.359 -2.480 5.095 1.00 0.00 C ATOM 1582 O THR A 103 -19.006 -3.392 4.578 1.00 0.00 O ATOM 1583 CB THR A 103 -18.552 -2.255 7.572 1.00 0.00 C ATOM 1584 OG1 THR A 103 -19.232 -3.498 7.781 1.00 0.00 O ATOM 1585 CG2 THR A 103 -18.874 -1.292 8.701 1.00 0.00 C ATOM 0 H THR A 103 -20.811 -2.431 5.670 1.00 0.00 H new ATOM 0 HA THR A 103 -18.563 -0.635 6.180 1.00 0.00 H new ATOM 0 HB THR A 103 -17.477 -2.435 7.564 1.00 0.00 H new ATOM 0 HG1 THR A 103 -18.968 -3.874 8.647 1.00 0.00 H new ATOM 0 HG21 THR A 103 -18.583 -1.737 9.653 1.00 0.00 H new ATOM 0 HG22 THR A 103 -18.326 -0.361 8.553 1.00 0.00 H new ATOM 0 HG23 THR A 103 -19.944 -1.086 8.709 1.00 0.00 H new ATOM 1593 N SER A 104 -17.132 -2.164 4.712 1.00 0.00 N ATOM 1594 CA SER A 104 -16.438 -2.915 3.684 1.00 0.00 C ATOM 1595 C SER A 104 -14.959 -2.990 4.051 1.00 0.00 C ATOM 1596 O SER A 104 -14.260 -1.978 4.044 1.00 0.00 O ATOM 1597 CB SER A 104 -16.624 -2.258 2.314 1.00 0.00 C ATOM 1598 OG SER A 104 -16.318 -3.163 1.269 1.00 0.00 O ATOM 0 H SER A 104 -16.596 -1.388 5.101 1.00 0.00 H new ATOM 0 HA SER A 104 -16.852 -3.922 3.623 1.00 0.00 H new ATOM 0 HB2 SER A 104 -17.652 -1.912 2.210 1.00 0.00 H new ATOM 0 HB3 SER A 104 -15.983 -1.380 2.238 1.00 0.00 H new ATOM 0 HG SER A 104 -15.375 -3.069 1.021 1.00 0.00 H new ATOM 1604 N ARG A 105 -14.487 -4.190 4.370 1.00 0.00 N ATOM 1605 CA ARG A 105 -13.095 -4.395 4.774 1.00 0.00 C ATOM 1606 C ARG A 105 -12.251 -4.928 3.625 1.00 0.00 C ATOM 1607 O ARG A 105 -12.726 -5.705 2.798 1.00 0.00 O ATOM 1608 CB ARG A 105 -13.027 -5.367 5.954 1.00 0.00 C ATOM 1609 CG ARG A 105 -13.885 -4.950 7.138 1.00 0.00 C ATOM 1610 CD ARG A 105 -13.737 -5.918 8.301 1.00 0.00 C ATOM 1611 NE ARG A 105 -14.621 -5.577 9.413 1.00 0.00 N ATOM 1612 CZ ARG A 105 -14.596 -6.190 10.593 1.00 0.00 C ATOM 1613 NH1 ARG A 105 -13.727 -7.166 10.820 1.00 0.00 N ATOM 1614 NH2 ARG A 105 -15.441 -5.824 11.548 1.00 0.00 N ATOM 0 H ARG A 105 -15.049 -5.041 4.357 1.00 0.00 H new ATOM 0 HA ARG A 105 -12.692 -3.427 5.072 1.00 0.00 H new ATOM 0 HB2 ARG A 105 -13.342 -6.355 5.618 1.00 0.00 H new ATOM 0 HB3 ARG A 105 -11.991 -5.456 6.281 1.00 0.00 H new ATOM 0 HG2 ARG A 105 -13.602 -3.948 7.459 1.00 0.00 H new ATOM 0 HG3 ARG A 105 -14.930 -4.903 6.833 1.00 0.00 H new ATOM 0 HD2 ARG A 105 -13.957 -6.930 7.961 1.00 0.00 H new ATOM 0 HD3 ARG A 105 -12.703 -5.915 8.646 1.00 0.00 H new ATOM 0 HE ARG A 105 -15.297 -4.825 9.276 1.00 0.00 H new ATOM 0 HH11 ARG A 105 -13.075 -7.449 10.088 1.00 0.00 H new ATOM 0 HH12 ARG A 105 -13.711 -7.634 11.726 1.00 0.00 H new ATOM 0 HH21 ARG A 105 -16.109 -5.073 11.377 1.00 0.00 H new ATOM 0 HH22 ARG A 105 -15.422 -6.294 12.453 1.00 0.00 H new ATOM 1628 N CYS A 106 -10.987 -4.517 3.593 1.00 0.00 N ATOM 1629 CA CYS A 106 -10.073 -4.947 2.547 1.00 0.00 C ATOM 1630 C CYS A 106 -9.200 -6.091 3.032 1.00 0.00 C ATOM 1631 O CYS A 106 -8.428 -5.943 3.979 1.00 0.00 O ATOM 1632 CB CYS A 106 -9.197 -3.784 2.079 1.00 0.00 C ATOM 1633 SG CYS A 106 -9.798 -2.958 0.573 1.00 0.00 S ATOM 0 H CYS A 106 -10.575 -3.887 4.281 1.00 0.00 H new ATOM 0 HA CYS A 106 -10.670 -5.295 1.704 1.00 0.00 H new ATOM 0 HB2 CYS A 106 -9.129 -3.049 2.881 1.00 0.00 H new ATOM 0 HB3 CYS A 106 -8.187 -4.153 1.899 1.00 0.00 H new ATOM 1638 N GLU A 107 -9.340 -7.233 2.379 1.00 0.00 N ATOM 1639 CA GLU A 107 -8.584 -8.423 2.730 1.00 0.00 C ATOM 1640 C GLU A 107 -7.780 -8.902 1.523 1.00 0.00 C ATOM 1641 O GLU A 107 -7.715 -8.207 0.513 1.00 0.00 O ATOM 1642 CB GLU A 107 -9.557 -9.504 3.209 1.00 0.00 C ATOM 1643 CG GLU A 107 -8.902 -10.669 3.934 1.00 0.00 C ATOM 1644 CD GLU A 107 -8.192 -10.247 5.206 1.00 0.00 C ATOM 1645 OE1 GLU A 107 -8.860 -10.165 6.258 1.00 0.00 O ATOM 1646 OE2 GLU A 107 -6.970 -10.000 5.151 1.00 0.00 O ATOM 0 H GLU A 107 -9.978 -7.361 1.594 1.00 0.00 H new ATOM 0 HA GLU A 107 -7.881 -8.199 3.533 1.00 0.00 H new ATOM 0 HB2 GLU A 107 -10.290 -9.046 3.873 1.00 0.00 H new ATOM 0 HB3 GLU A 107 -10.103 -9.890 2.348 1.00 0.00 H new ATOM 0 HG2 GLU A 107 -9.661 -11.413 4.177 1.00 0.00 H new ATOM 0 HG3 GLU A 107 -8.187 -11.150 3.267 1.00 0.00 H new ATOM 1653 N VAL A 108 -7.128 -10.055 1.650 1.00 0.00 N ATOM 1654 CA VAL A 108 -6.356 -10.606 0.541 1.00 0.00 C ATOM 1655 C VAL A 108 -6.512 -12.115 0.409 1.00 0.00 C ATOM 1656 O VAL A 108 -6.401 -12.860 1.384 1.00 0.00 O ATOM 1657 CB VAL A 108 -4.860 -10.263 0.642 1.00 0.00 C ATOM 1658 CG1 VAL A 108 -4.113 -10.806 -0.575 1.00 0.00 C ATOM 1659 CG2 VAL A 108 -4.673 -8.764 0.763 1.00 0.00 C ATOM 0 H VAL A 108 -7.118 -10.620 2.499 1.00 0.00 H new ATOM 0 HA VAL A 108 -6.768 -10.135 -0.351 1.00 0.00 H new ATOM 0 HB VAL A 108 -4.449 -10.732 1.536 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -3.055 -10.557 -0.493 1.00 0.00 H new ATOM 0 HG12 VAL A 108 -4.229 -11.889 -0.620 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -4.521 -10.360 -1.482 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -3.610 -8.535 0.834 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -5.093 -8.273 -0.115 1.00 0.00 H new ATOM 0 HG23 VAL A 108 -5.182 -8.405 1.657 1.00 0.00 H new ATOM 1669 N GLN A 109 -6.769 -12.543 -0.824 1.00 0.00 N ATOM 1670 CA GLN A 109 -6.943 -13.961 -1.123 1.00 0.00 C ATOM 1671 C GLN A 109 -7.182 -14.188 -2.607 1.00 0.00 C ATOM 1672 O GLN A 109 -7.794 -15.179 -3.005 1.00 0.00 O ATOM 1673 CB GLN A 109 -8.127 -14.507 -0.327 1.00 0.00 C ATOM 1674 CG GLN A 109 -9.374 -13.651 -0.475 1.00 0.00 C ATOM 1675 CD GLN A 109 -10.526 -14.126 0.389 1.00 0.00 C ATOM 1676 OE1 GLN A 109 -10.661 -15.319 0.663 1.00 0.00 O ATOM 1677 NE2 GLN A 109 -11.364 -13.192 0.824 1.00 0.00 N ATOM 0 H GLN A 109 -6.861 -11.928 -1.632 1.00 0.00 H new ATOM 0 HA GLN A 109 -6.029 -14.484 -0.842 1.00 0.00 H new ATOM 0 HB2 GLN A 109 -8.346 -15.522 -0.658 1.00 0.00 H new ATOM 0 HB3 GLN A 109 -7.855 -14.567 0.727 1.00 0.00 H new ATOM 0 HG2 GLN A 109 -9.133 -12.620 -0.215 1.00 0.00 H new ATOM 0 HG3 GLN A 109 -9.686 -13.652 -1.519 1.00 0.00 H new ATOM 0 HE21 GLN A 109 -11.214 -12.215 0.572 1.00 0.00 H new ATOM 0 HE22 GLN A 109 -12.158 -13.452 1.410 1.00 0.00 H new ATOM 1686 N ASP A 110 -6.681 -13.274 -3.421 1.00 0.00 N ATOM 1687 CA ASP A 110 -6.847 -13.368 -4.862 1.00 0.00 C ATOM 1688 C ASP A 110 -5.727 -12.636 -5.593 1.00 0.00 C ATOM 1689 O ASP A 110 -4.582 -13.089 -5.603 1.00 0.00 O ATOM 1690 CB ASP A 110 -8.208 -12.809 -5.285 1.00 0.00 C ATOM 1691 CG ASP A 110 -9.365 -13.658 -4.798 1.00 0.00 C ATOM 1692 OD1 ASP A 110 -9.594 -14.739 -5.380 1.00 0.00 O ATOM 1693 OD2 ASP A 110 -10.044 -13.242 -3.836 1.00 0.00 O ATOM 0 H ASP A 110 -6.155 -12.458 -3.108 1.00 0.00 H new ATOM 0 HA ASP A 110 -6.800 -14.422 -5.135 1.00 0.00 H new ATOM 0 HB2 ASP A 110 -8.317 -11.796 -4.897 1.00 0.00 H new ATOM 0 HB3 ASP A 110 -8.246 -12.739 -6.372 1.00 0.00 H new ATOM 1698 N ARG A 111 -6.060 -11.504 -6.204 1.00 0.00 N ATOM 1699 CA ARG A 111 -5.087 -10.720 -6.932 1.00 0.00 C ATOM 1700 C ARG A 111 -4.349 -9.775 -6.003 1.00 0.00 C ATOM 1701 O ARG A 111 -4.201 -8.585 -6.291 1.00 0.00 O ATOM 1702 CB ARG A 111 -5.774 -9.944 -8.054 1.00 0.00 C ATOM 1703 CG ARG A 111 -6.128 -10.800 -9.260 1.00 0.00 C ATOM 1704 CD ARG A 111 -4.884 -11.272 -9.996 1.00 0.00 C ATOM 1705 NE ARG A 111 -5.213 -12.119 -11.140 1.00 0.00 N ATOM 1706 CZ ARG A 111 -4.300 -12.684 -11.926 1.00 0.00 C ATOM 1707 NH1 ARG A 111 -3.008 -12.491 -11.692 1.00 0.00 N ATOM 1708 NH2 ARG A 111 -4.679 -13.442 -12.947 1.00 0.00 N ATOM 0 H ARG A 111 -7.002 -11.113 -6.205 1.00 0.00 H new ATOM 0 HA ARG A 111 -4.355 -11.398 -7.371 1.00 0.00 H new ATOM 0 HB2 ARG A 111 -6.684 -9.487 -7.664 1.00 0.00 H new ATOM 0 HB3 ARG A 111 -5.122 -9.132 -8.375 1.00 0.00 H new ATOM 0 HG2 ARG A 111 -6.709 -11.663 -8.936 1.00 0.00 H new ATOM 0 HG3 ARG A 111 -6.759 -10.228 -9.940 1.00 0.00 H new ATOM 0 HD2 ARG A 111 -4.315 -10.407 -10.337 1.00 0.00 H new ATOM 0 HD3 ARG A 111 -4.244 -11.824 -9.308 1.00 0.00 H new ATOM 0 HE ARG A 111 -6.197 -12.287 -11.348 1.00 0.00 H new ATOM 0 HH11 ARG A 111 -2.713 -11.909 -10.908 1.00 0.00 H new ATOM 0 HH12 ARG A 111 -2.310 -12.925 -12.296 1.00 0.00 H new ATOM 0 HH21 ARG A 111 -5.671 -13.592 -13.130 1.00 0.00 H new ATOM 0 HH22 ARG A 111 -3.978 -13.875 -13.549 1.00 0.00 H new ATOM 1722 N GLY A 112 -3.885 -10.317 -4.890 1.00 0.00 N ATOM 1723 CA GLY A 112 -3.166 -9.517 -3.931 1.00 0.00 C ATOM 1724 C GLY A 112 -4.099 -8.869 -2.943 1.00 0.00 C ATOM 1725 O GLY A 112 -3.663 -8.344 -1.924 1.00 0.00 O ATOM 0 H GLY A 112 -3.995 -11.299 -4.635 1.00 0.00 H new ATOM 0 HA2 GLY A 112 -2.448 -10.142 -3.399 1.00 0.00 H new ATOM 0 HA3 GLY A 112 -2.595 -8.748 -4.452 1.00 0.00 H new ATOM 1729 N VAL A 113 -5.395 -8.897 -3.248 1.00 0.00 N ATOM 1730 CA VAL A 113 -6.390 -8.309 -2.361 1.00 0.00 C ATOM 1731 C VAL A 113 -7.804 -8.729 -2.746 1.00 0.00 C ATOM 1732 O VAL A 113 -8.160 -8.759 -3.924 1.00 0.00 O ATOM 1733 CB VAL A 113 -6.311 -6.773 -2.361 1.00 0.00 C ATOM 1734 CG1 VAL A 113 -5.830 -6.254 -1.018 1.00 0.00 C ATOM 1735 CG2 VAL A 113 -5.402 -6.305 -3.479 1.00 0.00 C ATOM 0 H VAL A 113 -5.776 -9.317 -4.096 1.00 0.00 H new ATOM 0 HA VAL A 113 -6.166 -8.680 -1.361 1.00 0.00 H new ATOM 0 HB VAL A 113 -7.310 -6.371 -2.530 1.00 0.00 H new ATOM 0 HG11 VAL A 113 -5.783 -5.165 -1.044 1.00 0.00 H new ATOM 0 HG12 VAL A 113 -6.522 -6.568 -0.237 1.00 0.00 H new ATOM 0 HG13 VAL A 113 -4.839 -6.655 -0.807 1.00 0.00 H new ATOM 0 HG21 VAL A 113 -5.350 -5.216 -3.474 1.00 0.00 H new ATOM 0 HG22 VAL A 113 -4.403 -6.717 -3.332 1.00 0.00 H new ATOM 0 HG23 VAL A 113 -5.798 -6.645 -4.436 1.00 0.00 H new ATOM 1745 N GLY A 114 -8.595 -9.050 -1.738 1.00 0.00 N ATOM 1746 CA GLY A 114 -9.959 -9.451 -1.997 1.00 0.00 C ATOM 1747 C GLY A 114 -10.951 -8.511 -1.337 1.00 0.00 C ATOM 1748 O GLY A 114 -10.692 -8.009 -0.244 1.00 0.00 O ATOM 0 H GLY A 114 -8.322 -9.041 -0.755 1.00 0.00 H new ATOM 0 HA2 GLY A 114 -10.135 -9.471 -3.072 1.00 0.00 H new ATOM 0 HA3 GLY A 114 -10.117 -10.465 -1.629 1.00 0.00 H new ATOM 1752 N TRP A 115 -12.084 -8.266 -1.985 1.00 0.00 N ATOM 1753 CA TRP A 115 -13.101 -7.382 -1.429 1.00 0.00 C ATOM 1754 C TRP A 115 -14.159 -8.181 -0.679 1.00 0.00 C ATOM 1755 O TRP A 115 -14.708 -9.149 -1.206 1.00 0.00 O ATOM 1756 CB TRP A 115 -13.771 -6.547 -2.525 1.00 0.00 C ATOM 1757 CG TRP A 115 -13.485 -5.077 -2.425 1.00 0.00 C ATOM 1758 CD1 TRP A 115 -13.219 -4.228 -3.459 1.00 0.00 C ATOM 1759 CD2 TRP A 115 -13.437 -4.281 -1.231 1.00 0.00 C ATOM 1760 NE1 TRP A 115 -13.009 -2.956 -2.983 1.00 0.00 N ATOM 1761 CE2 TRP A 115 -13.137 -2.962 -1.623 1.00 0.00 C ATOM 1762 CE3 TRP A 115 -13.617 -4.551 0.127 1.00 0.00 C ATOM 1763 CZ2 TRP A 115 -13.016 -1.921 -0.708 1.00 0.00 C ATOM 1764 CZ3 TRP A 115 -13.496 -3.516 1.033 1.00 0.00 C ATOM 1765 CH2 TRP A 115 -13.198 -2.216 0.614 1.00 0.00 C ATOM 0 H TRP A 115 -12.321 -8.666 -2.893 1.00 0.00 H new ATOM 0 HA TRP A 115 -12.601 -6.708 -0.733 1.00 0.00 H new ATOM 0 HB2 TRP A 115 -13.438 -6.907 -3.498 1.00 0.00 H new ATOM 0 HB3 TRP A 115 -14.849 -6.702 -2.479 1.00 0.00 H new ATOM 0 HD1 TRP A 115 -13.179 -4.514 -4.500 1.00 0.00 H new ATOM 0 HE1 TRP A 115 -12.792 -2.139 -3.554 1.00 0.00 H new ATOM 0 HE3 TRP A 115 -13.847 -5.551 0.463 1.00 0.00 H new ATOM 0 HZ2 TRP A 115 -12.787 -0.916 -1.031 1.00 0.00 H new ATOM 0 HZ3 TRP A 115 -13.634 -3.715 2.086 1.00 0.00 H new ATOM 0 HH2 TRP A 115 -13.110 -1.430 1.349 1.00 0.00 H new ATOM 1776 N SER A 116 -14.438 -7.772 0.552 1.00 0.00 N ATOM 1777 CA SER A 116 -15.431 -8.450 1.373 1.00 0.00 C ATOM 1778 C SER A 116 -16.826 -8.300 0.769 1.00 0.00 C ATOM 1779 O SER A 116 -17.585 -9.267 0.688 1.00 0.00 O ATOM 1780 CB SER A 116 -15.415 -7.891 2.796 1.00 0.00 C ATOM 1781 OG SER A 116 -15.828 -6.535 2.817 1.00 0.00 O ATOM 0 H SER A 116 -13.990 -6.974 1.003 1.00 0.00 H new ATOM 0 HA SER A 116 -15.179 -9.510 1.406 1.00 0.00 H new ATOM 0 HB2 SER A 116 -16.073 -8.485 3.430 1.00 0.00 H new ATOM 0 HB3 SER A 116 -14.411 -7.975 3.212 1.00 0.00 H new ATOM 0 HG SER A 116 -16.400 -6.379 3.597 1.00 0.00 H new ATOM 1787 N HIS A 117 -17.154 -7.080 0.347 1.00 0.00 N ATOM 1788 CA HIS A 117 -18.457 -6.795 -0.249 1.00 0.00 C ATOM 1789 C HIS A 117 -18.506 -5.368 -0.787 1.00 0.00 C ATOM 1790 O HIS A 117 -18.066 -4.434 -0.118 1.00 0.00 O ATOM 1791 CB HIS A 117 -19.568 -6.985 0.782 1.00 0.00 C ATOM 1792 CG HIS A 117 -20.948 -6.919 0.202 1.00 0.00 C ATOM 1793 ND1 HIS A 117 -21.584 -8.009 -0.355 1.00 0.00 N ATOM 1794 CD2 HIS A 117 -21.815 -5.884 0.093 1.00 0.00 C ATOM 1795 CE1 HIS A 117 -22.781 -7.647 -0.781 1.00 0.00 C ATOM 1796 NE2 HIS A 117 -22.946 -6.362 -0.520 1.00 0.00 N ATOM 0 H HIS A 117 -16.534 -6.272 0.407 1.00 0.00 H new ATOM 0 HA HIS A 117 -18.607 -7.491 -1.074 1.00 0.00 H new ATOM 0 HB2 HIS A 117 -19.435 -7.950 1.272 1.00 0.00 H new ATOM 0 HB3 HIS A 117 -19.471 -6.220 1.553 1.00 0.00 H new ATOM 0 HD2 HIS A 117 -21.647 -4.871 0.427 1.00 0.00 H new ATOM 0 HE1 HIS A 117 -23.502 -8.292 -1.261 1.00 0.00 H new ATOM 0 HE2 HIS A 117 -23.778 -5.815 -0.739 1.00 0.00 H new ATOM 1805 N PRO A 118 -19.046 -5.179 -2.003 1.00 0.00 N ATOM 1806 CA PRO A 118 -19.153 -3.860 -2.613 1.00 0.00 C ATOM 1807 C PRO A 118 -20.376 -3.093 -2.122 1.00 0.00 C ATOM 1808 O PRO A 118 -20.810 -3.261 -0.982 1.00 0.00 O ATOM 1809 CB PRO A 118 -19.272 -4.182 -4.099 1.00 0.00 C ATOM 1810 CG PRO A 118 -19.971 -5.498 -4.142 1.00 0.00 C ATOM 1811 CD PRO A 118 -19.586 -6.234 -2.882 1.00 0.00 C ATOM 0 HA PRO A 118 -18.308 -3.217 -2.368 1.00 0.00 H new ATOM 0 HB2 PRO A 118 -19.838 -3.415 -4.627 1.00 0.00 H new ATOM 0 HB3 PRO A 118 -18.292 -4.238 -4.573 1.00 0.00 H new ATOM 0 HG2 PRO A 118 -21.051 -5.361 -4.196 1.00 0.00 H new ATOM 0 HG3 PRO A 118 -19.677 -6.064 -5.026 1.00 0.00 H new ATOM 0 HD2 PRO A 118 -20.446 -6.729 -2.430 1.00 0.00 H new ATOM 0 HD3 PRO A 118 -18.843 -7.006 -3.082 1.00 0.00 H new ATOM 1819 N LEU A 119 -20.919 -2.245 -2.986 1.00 0.00 N ATOM 1820 CA LEU A 119 -22.085 -1.447 -2.658 1.00 0.00 C ATOM 1821 C LEU A 119 -23.223 -2.300 -2.110 1.00 0.00 C ATOM 1822 O LEU A 119 -23.410 -3.443 -2.526 1.00 0.00 O ATOM 1823 CB LEU A 119 -22.575 -0.708 -3.904 1.00 0.00 C ATOM 1824 CG LEU A 119 -21.492 -0.056 -4.767 1.00 0.00 C ATOM 1825 CD1 LEU A 119 -20.447 0.622 -3.896 1.00 0.00 C ATOM 1826 CD2 LEU A 119 -20.853 -1.072 -5.703 1.00 0.00 C ATOM 0 H LEU A 119 -20.562 -2.094 -3.930 1.00 0.00 H new ATOM 0 HA LEU A 119 -21.787 -0.737 -1.886 1.00 0.00 H new ATOM 0 HB2 LEU A 119 -23.131 -1.411 -4.524 1.00 0.00 H new ATOM 0 HB3 LEU A 119 -23.277 0.065 -3.591 1.00 0.00 H new ATOM 0 HG LEU A 119 -21.964 0.709 -5.384 1.00 0.00 H new ATOM 0 HD11 LEU A 119 -19.687 1.079 -4.529 1.00 0.00 H new ATOM 0 HD12 LEU A 119 -20.923 1.391 -3.288 1.00 0.00 H new ATOM 0 HD13 LEU A 119 -19.981 -0.117 -3.245 1.00 0.00 H new ATOM 0 HD21 LEU A 119 -20.087 -0.582 -6.304 1.00 0.00 H new ATOM 0 HD22 LEU A 119 -20.398 -1.871 -5.117 1.00 0.00 H new ATOM 0 HD23 LEU A 119 -21.615 -1.492 -6.359 1.00 0.00 H new ATOM 1838 N PRO A 120 -24.000 -1.749 -1.159 1.00 0.00 N ATOM 1839 CA PRO A 120 -25.139 -2.438 -0.574 1.00 0.00 C ATOM 1840 C PRO A 120 -26.396 -2.199 -1.401 1.00 0.00 C ATOM 1841 O PRO A 120 -26.311 -1.766 -2.550 1.00 0.00 O ATOM 1842 CB PRO A 120 -25.256 -1.785 0.799 1.00 0.00 C ATOM 1843 CG PRO A 120 -24.787 -0.381 0.591 1.00 0.00 C ATOM 1844 CD PRO A 120 -23.825 -0.403 -0.576 1.00 0.00 C ATOM 0 HA PRO A 120 -25.018 -3.520 -0.528 1.00 0.00 H new ATOM 0 HB2 PRO A 120 -26.283 -1.810 1.163 1.00 0.00 H new ATOM 0 HB3 PRO A 120 -24.643 -2.302 1.537 1.00 0.00 H new ATOM 0 HG2 PRO A 120 -25.629 0.280 0.384 1.00 0.00 H new ATOM 0 HG3 PRO A 120 -24.297 -0.002 1.488 1.00 0.00 H new ATOM 0 HD2 PRO A 120 -24.057 0.378 -1.299 1.00 0.00 H new ATOM 0 HD3 PRO A 120 -22.798 -0.240 -0.250 1.00 0.00 H new ATOM 1852 N GLN A 121 -27.561 -2.478 -0.830 1.00 0.00 N ATOM 1853 CA GLN A 121 -28.815 -2.275 -1.536 1.00 0.00 C ATOM 1854 C GLN A 121 -29.570 -1.070 -0.984 1.00 0.00 C ATOM 1855 O GLN A 121 -29.972 -1.055 0.180 1.00 0.00 O ATOM 1856 CB GLN A 121 -29.675 -3.531 -1.435 1.00 0.00 C ATOM 1857 CG GLN A 121 -29.441 -4.517 -2.568 1.00 0.00 C ATOM 1858 CD GLN A 121 -28.020 -5.047 -2.599 1.00 0.00 C ATOM 1859 OE1 GLN A 121 -27.137 -4.454 -3.222 1.00 0.00 O ATOM 1860 NE2 GLN A 121 -27.794 -6.171 -1.931 1.00 0.00 N ATOM 0 H GLN A 121 -27.661 -2.844 0.117 1.00 0.00 H new ATOM 0 HA GLN A 121 -28.590 -2.077 -2.584 1.00 0.00 H new ATOM 0 HB2 GLN A 121 -29.472 -4.026 -0.485 1.00 0.00 H new ATOM 0 HB3 GLN A 121 -30.726 -3.243 -1.426 1.00 0.00 H new ATOM 0 HG2 GLN A 121 -30.134 -5.352 -2.466 1.00 0.00 H new ATOM 0 HG3 GLN A 121 -29.664 -4.032 -3.518 1.00 0.00 H new ATOM 0 HE21 GLN A 121 -28.555 -6.628 -1.429 1.00 0.00 H new ATOM 0 HE22 GLN A 121 -26.859 -6.578 -1.919 1.00 0.00 H new ATOM 1869 N CYS A 122 -29.760 -0.059 -1.831 1.00 0.00 N ATOM 1870 CA CYS A 122 -30.473 1.144 -1.419 1.00 0.00 C ATOM 1871 C CYS A 122 -31.923 1.091 -1.894 1.00 0.00 C ATOM 1872 O CYS A 122 -32.202 1.205 -3.088 1.00 0.00 O ATOM 1873 CB CYS A 122 -29.785 2.398 -1.963 1.00 0.00 C ATOM 1874 SG CYS A 122 -28.168 2.760 -1.200 1.00 0.00 S ATOM 0 H CYS A 122 -29.433 -0.050 -2.797 1.00 0.00 H new ATOM 0 HA CYS A 122 -30.460 1.190 -0.330 1.00 0.00 H new ATOM 0 HB2 CYS A 122 -29.649 2.285 -3.039 1.00 0.00 H new ATOM 0 HB3 CYS A 122 -30.444 3.253 -1.813 1.00 0.00 H new ATOM 1879 N GLU A 123 -32.838 0.917 -0.948 1.00 0.00 N ATOM 1880 CA GLU A 123 -34.263 0.840 -1.252 1.00 0.00 C ATOM 1881 C GLU A 123 -35.023 1.893 -0.457 1.00 0.00 C ATOM 1882 O GLU A 123 -34.693 2.189 0.689 1.00 0.00 O ATOM 1883 CB GLU A 123 -34.801 -0.553 -0.921 1.00 0.00 C ATOM 1884 CG GLU A 123 -36.237 -0.773 -1.370 1.00 0.00 C ATOM 1885 CD GLU A 123 -36.795 -2.103 -0.908 1.00 0.00 C ATOM 1886 OE1 GLU A 123 -37.118 -2.227 0.292 1.00 0.00 O ATOM 1887 OE2 GLU A 123 -36.907 -3.023 -1.746 1.00 0.00 O ATOM 0 H GLU A 123 -32.617 0.826 0.044 1.00 0.00 H new ATOM 0 HA GLU A 123 -34.404 1.027 -2.316 1.00 0.00 H new ATOM 0 HB2 GLU A 123 -34.163 -1.301 -1.392 1.00 0.00 H new ATOM 0 HB3 GLU A 123 -34.737 -0.712 0.155 1.00 0.00 H new ATOM 0 HG2 GLU A 123 -36.862 0.033 -0.984 1.00 0.00 H new ATOM 0 HG3 GLU A 123 -36.286 -0.721 -2.458 1.00 0.00 H new ATOM 1894 N ILE A 124 -36.045 2.453 -1.098 1.00 0.00 N ATOM 1895 CA ILE A 124 -36.857 3.500 -0.489 1.00 0.00 C ATOM 1896 C ILE A 124 -37.558 3.007 0.773 1.00 0.00 C ATOM 1897 O ILE A 124 -37.794 1.810 0.942 1.00 0.00 O ATOM 1898 CB ILE A 124 -37.911 4.033 -1.482 1.00 0.00 C ATOM 1899 CG1 ILE A 124 -38.506 5.349 -0.973 1.00 0.00 C ATOM 1900 CG2 ILE A 124 -39.008 2.998 -1.701 1.00 0.00 C ATOM 1901 CD1 ILE A 124 -39.403 6.040 -1.979 1.00 0.00 C ATOM 0 H ILE A 124 -36.331 2.197 -2.043 1.00 0.00 H new ATOM 0 HA ILE A 124 -36.177 4.308 -0.218 1.00 0.00 H new ATOM 0 HB ILE A 124 -37.423 4.223 -2.438 1.00 0.00 H new ATOM 0 HG12 ILE A 124 -39.076 5.153 -0.065 1.00 0.00 H new ATOM 0 HG13 ILE A 124 -37.694 6.023 -0.700 1.00 0.00 H new ATOM 0 HG21 ILE A 124 -39.743 3.390 -2.404 1.00 0.00 H new ATOM 0 HG22 ILE A 124 -38.571 2.085 -2.105 1.00 0.00 H new ATOM 0 HG23 ILE A 124 -39.496 2.778 -0.751 1.00 0.00 H new ATOM 0 HD11 ILE A 124 -39.788 6.965 -1.549 1.00 0.00 H new ATOM 0 HD12 ILE A 124 -38.832 6.269 -2.879 1.00 0.00 H new ATOM 0 HD13 ILE A 124 -40.236 5.385 -2.234 1.00 0.00 H new ATOM 1913 N LEU A 125 -37.889 3.945 1.656 1.00 0.00 N ATOM 1914 CA LEU A 125 -38.570 3.625 2.902 1.00 0.00 C ATOM 1915 C LEU A 125 -40.023 3.248 2.634 1.00 0.00 C ATOM 1916 O LEU A 125 -40.655 3.795 1.730 1.00 0.00 O ATOM 1917 CB LEU A 125 -38.509 4.822 3.855 1.00 0.00 C ATOM 1918 CG LEU A 125 -37.104 5.343 4.175 1.00 0.00 C ATOM 1919 CD1 LEU A 125 -37.190 6.565 5.079 1.00 0.00 C ATOM 1920 CD2 LEU A 125 -36.261 4.258 4.827 1.00 0.00 C ATOM 0 H LEU A 125 -37.694 4.938 1.528 1.00 0.00 H new ATOM 0 HA LEU A 125 -38.068 2.775 3.364 1.00 0.00 H new ATOM 0 HB2 LEU A 125 -39.090 5.637 3.423 1.00 0.00 H new ATOM 0 HB3 LEU A 125 -38.996 4.544 4.790 1.00 0.00 H new ATOM 0 HG LEU A 125 -36.623 5.631 3.240 1.00 0.00 H new ATOM 0 HD11 LEU A 125 -36.185 6.926 5.299 1.00 0.00 H new ATOM 0 HD12 LEU A 125 -37.756 7.350 4.577 1.00 0.00 H new ATOM 0 HD13 LEU A 125 -37.691 6.295 6.009 1.00 0.00 H new ATOM 0 HD21 LEU A 125 -35.268 4.651 5.045 1.00 0.00 H new ATOM 0 HD22 LEU A 125 -36.736 3.936 5.754 1.00 0.00 H new ATOM 0 HD23 LEU A 125 -36.174 3.408 4.150 1.00 0.00 H new ATOM 1932 N GLU A 126 -40.550 2.314 3.417 1.00 0.00 N ATOM 1933 CA GLU A 126 -41.931 1.876 3.253 1.00 0.00 C ATOM 1934 C GLU A 126 -42.872 2.680 4.145 1.00 0.00 C ATOM 1935 O GLU A 126 -43.007 2.399 5.337 1.00 0.00 O ATOM 1936 CB GLU A 126 -42.059 0.384 3.567 1.00 0.00 C ATOM 1937 CG GLU A 126 -43.481 -0.143 3.451 1.00 0.00 C ATOM 1938 CD GLU A 126 -43.592 -1.612 3.804 1.00 0.00 C ATOM 1939 OE1 GLU A 126 -43.418 -2.455 2.899 1.00 0.00 O ATOM 1940 OE2 GLU A 126 -43.854 -1.920 4.986 1.00 0.00 O ATOM 0 H GLU A 126 -40.044 1.847 4.169 1.00 0.00 H new ATOM 0 HA GLU A 126 -42.215 2.046 2.214 1.00 0.00 H new ATOM 0 HB2 GLU A 126 -41.416 -0.178 2.890 1.00 0.00 H new ATOM 0 HB3 GLU A 126 -41.694 0.201 4.578 1.00 0.00 H new ATOM 0 HG2 GLU A 126 -44.132 0.434 4.107 1.00 0.00 H new ATOM 0 HG3 GLU A 126 -43.838 0.010 2.433 1.00 0.00 H new ATOM 1947 N HIS A 127 -43.515 3.686 3.559 1.00 0.00 N ATOM 1948 CA HIS A 127 -44.447 4.534 4.295 1.00 0.00 C ATOM 1949 C HIS A 127 -45.679 4.847 3.453 1.00 0.00 C ATOM 1950 O HIS A 127 -46.796 4.469 3.806 1.00 0.00 O ATOM 1951 CB HIS A 127 -43.763 5.833 4.724 1.00 0.00 C ATOM 1952 CG HIS A 127 -42.686 5.635 5.746 1.00 0.00 C ATOM 1953 ND1 HIS A 127 -41.362 5.442 5.417 1.00 0.00 N ATOM 1954 CD2 HIS A 127 -42.744 5.600 7.099 1.00 0.00 C ATOM 1955 CE1 HIS A 127 -40.652 5.298 6.521 1.00 0.00 C ATOM 1956 NE2 HIS A 127 -41.467 5.389 7.556 1.00 0.00 N ATOM 0 H HIS A 127 -43.407 3.934 2.575 1.00 0.00 H new ATOM 0 HA HIS A 127 -44.766 3.991 5.185 1.00 0.00 H new ATOM 0 HB2 HIS A 127 -43.334 6.315 3.846 1.00 0.00 H new ATOM 0 HB3 HIS A 127 -44.514 6.513 5.127 1.00 0.00 H new ATOM 0 HD2 HIS A 127 -43.630 5.716 7.705 1.00 0.00 H new ATOM 0 HE1 HIS A 127 -39.586 5.134 6.569 1.00 0.00 H new ATOM 0 HE2 HIS A 127 -41.192 5.315 8.536 1.00 0.00 H new ATOM 1965 N HIS A 128 -45.469 5.537 2.335 1.00 0.00 N ATOM 1966 CA HIS A 128 -46.566 5.897 1.443 1.00 0.00 C ATOM 1967 C HIS A 128 -46.111 5.892 -0.014 1.00 0.00 C ATOM 1968 O HIS A 128 -44.983 5.505 -0.322 1.00 0.00 O ATOM 1969 CB HIS A 128 -47.125 7.272 1.816 1.00 0.00 C ATOM 1970 CG HIS A 128 -46.095 8.358 1.829 1.00 0.00 C ATOM 1971 ND1 HIS A 128 -45.405 8.726 2.965 1.00 0.00 N ATOM 1972 CD2 HIS A 128 -45.641 9.161 0.839 1.00 0.00 C ATOM 1973 CE1 HIS A 128 -44.572 9.710 2.672 1.00 0.00 C ATOM 1974 NE2 HIS A 128 -44.695 9.991 1.389 1.00 0.00 N ATOM 0 H HIS A 128 -44.551 5.857 2.026 1.00 0.00 H new ATOM 0 HA HIS A 128 -47.353 5.152 1.557 1.00 0.00 H new ATOM 0 HB2 HIS A 128 -47.912 7.538 1.110 1.00 0.00 H new ATOM 0 HB3 HIS A 128 -47.588 7.211 2.801 1.00 0.00 H new ATOM 0 HD2 HIS A 128 -45.963 9.151 -0.192 1.00 0.00 H new ATOM 0 HE1 HIS A 128 -43.904 10.200 3.365 1.00 0.00 H new ATOM 0 HE2 HIS A 128 -44.172 10.709 0.887 1.00 0.00 H new ATOM 1983 N HIS A 129 -46.997 6.328 -0.906 1.00 0.00 N ATOM 1984 CA HIS A 129 -46.694 6.369 -2.334 1.00 0.00 C ATOM 1985 C HIS A 129 -46.519 7.805 -2.821 1.00 0.00 C ATOM 1986 O HIS A 129 -46.591 8.751 -2.039 1.00 0.00 O ATOM 1987 CB HIS A 129 -47.810 5.685 -3.125 1.00 0.00 C ATOM 1988 CG HIS A 129 -49.148 6.337 -2.956 1.00 0.00 C ATOM 1989 ND1 HIS A 129 -49.727 6.560 -1.723 1.00 0.00 N ATOM 1990 CD2 HIS A 129 -50.020 6.822 -3.872 1.00 0.00 C ATOM 1991 CE1 HIS A 129 -50.896 7.153 -1.889 1.00 0.00 C ATOM 1992 NE2 HIS A 129 -51.097 7.323 -3.183 1.00 0.00 N ATOM 0 H HIS A 129 -47.931 6.658 -0.665 1.00 0.00 H new ATOM 0 HA HIS A 129 -45.756 5.838 -2.495 1.00 0.00 H new ATOM 0 HB2 HIS A 129 -47.546 5.683 -4.183 1.00 0.00 H new ATOM 0 HB3 HIS A 129 -47.880 4.643 -2.812 1.00 0.00 H new ATOM 0 HD2 HIS A 129 -49.892 6.816 -4.944 1.00 0.00 H new ATOM 0 HE1 HIS A 129 -51.572 7.448 -1.100 1.00 0.00 H new ATOM 0 HE2 HIS A 129 -51.919 7.756 -3.603 1.00 0.00 H new ATOM 2001 N HIS A 130 -46.291 7.959 -4.123 1.00 0.00 N ATOM 2002 CA HIS A 130 -46.105 9.279 -4.716 1.00 0.00 C ATOM 2003 C HIS A 130 -47.018 9.471 -5.924 1.00 0.00 C ATOM 2004 O HIS A 130 -48.055 10.128 -5.832 1.00 0.00 O ATOM 2005 CB HIS A 130 -44.645 9.476 -5.131 1.00 0.00 C ATOM 2006 CG HIS A 130 -43.677 9.375 -3.993 1.00 0.00 C ATOM 2007 ND1 HIS A 130 -42.946 8.236 -3.725 1.00 0.00 N ATOM 2008 CD2 HIS A 130 -43.314 10.282 -3.056 1.00 0.00 C ATOM 2009 CE1 HIS A 130 -42.176 8.446 -2.672 1.00 0.00 C ATOM 2010 NE2 HIS A 130 -42.380 9.679 -2.248 1.00 0.00 N ATOM 0 H HIS A 130 -46.231 7.186 -4.786 1.00 0.00 H new ATOM 0 HA HIS A 130 -46.366 10.024 -3.964 1.00 0.00 H new ATOM 0 HB2 HIS A 130 -44.387 8.731 -5.883 1.00 0.00 H new ATOM 0 HB3 HIS A 130 -44.539 10.454 -5.601 1.00 0.00 H new ATOM 0 HD2 HIS A 130 -43.688 11.291 -2.961 1.00 0.00 H new ATOM 0 HE1 HIS A 130 -41.496 7.731 -2.233 1.00 0.00 H new ATOM 0 HE2 HIS A 130 -41.919 10.114 -1.449 1.00 0.00 H new ATOM 2019 N HIS A 131 -46.620 8.890 -7.055 1.00 0.00 N ATOM 2020 CA HIS A 131 -47.391 8.990 -8.292 1.00 0.00 C ATOM 2021 C HIS A 131 -47.505 10.439 -8.761 1.00 0.00 C ATOM 2022 O HIS A 131 -46.724 10.892 -9.598 1.00 0.00 O ATOM 2023 CB HIS A 131 -48.787 8.387 -8.107 1.00 0.00 C ATOM 2024 CG HIS A 131 -48.779 6.904 -7.915 1.00 0.00 C ATOM 2025 ND1 HIS A 131 -48.615 6.306 -6.684 1.00 0.00 N ATOM 2026 CD2 HIS A 131 -48.920 5.895 -8.806 1.00 0.00 C ATOM 2027 CE1 HIS A 131 -48.653 4.993 -6.826 1.00 0.00 C ATOM 2028 NE2 HIS A 131 -48.838 4.718 -8.103 1.00 0.00 N ATOM 0 H HIS A 131 -45.763 8.343 -7.139 1.00 0.00 H new ATOM 0 HA HIS A 131 -46.859 8.425 -9.058 1.00 0.00 H new ATOM 0 HB2 HIS A 131 -49.264 8.854 -7.245 1.00 0.00 H new ATOM 0 HB3 HIS A 131 -49.396 8.629 -8.978 1.00 0.00 H new ATOM 0 HD2 HIS A 131 -49.069 5.996 -9.871 1.00 0.00 H new ATOM 0 HE1 HIS A 131 -48.550 4.268 -6.032 1.00 0.00 H new ATOM 0 HE2 HIS A 131 -48.909 3.783 -8.503 1.00 0.00 H new ATOM 2037 N HIS A 132 -48.479 11.161 -8.214 1.00 0.00 N ATOM 2038 CA HIS A 132 -48.695 12.556 -8.581 1.00 0.00 C ATOM 2039 C HIS A 132 -47.887 13.486 -7.681 1.00 0.00 C ATOM 2040 O HIS A 132 -48.395 13.852 -6.600 1.00 0.00 O ATOM 2041 CB HIS A 132 -50.184 12.903 -8.490 1.00 0.00 C ATOM 2042 CG HIS A 132 -51.067 11.939 -9.220 1.00 0.00 C ATOM 2043 ND1 HIS A 132 -51.748 10.919 -8.589 1.00 0.00 N ATOM 2044 CD2 HIS A 132 -51.381 11.844 -10.533 1.00 0.00 C ATOM 2045 CE1 HIS A 132 -52.442 10.238 -9.482 1.00 0.00 C ATOM 2046 NE2 HIS A 132 -52.237 10.778 -10.669 1.00 0.00 N ATOM 2047 OXT HIS A 132 -46.752 13.838 -8.063 1.00 0.00 O ATOM 0 H HIS A 132 -49.130 10.803 -7.516 1.00 0.00 H new ATOM 0 HA HIS A 132 -48.359 12.693 -9.609 1.00 0.00 H new ATOM 0 HB2 HIS A 132 -50.479 12.931 -7.441 1.00 0.00 H new ATOM 0 HB3 HIS A 132 -50.341 13.904 -8.892 1.00 0.00 H new ATOM 0 HD2 HIS A 132 -51.025 12.486 -11.325 1.00 0.00 H new ATOM 0 HE1 HIS A 132 -53.071 9.384 -9.276 1.00 0.00 H new ATOM 0 HE2 HIS A 132 -52.648 10.456 -11.545 1.00 0.00 H new TER 2056 HIS A 132