USER MOD reduce.3.24.130724 H: found=0, std=0, add=768, rem=0, adj=35 USER MOD reduce.3.24.130724 removed 768 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 41 SER OG : rot 180:sc= -0.641 USER MOD Set 1.2: A 44 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 38 THR OG1 : rot 180:sc= -0.523 USER MOD Set 2.2: A 40 GLN : amide:sc= -0.955 X(o=-11,f=-11) USER MOD Set 2.3: A 48 HIS : no HE2:sc= -1.37 X(o=-11,f=-11) USER MOD Set 2.4: A 50 HIS : +bothHN:sc= -3.22! C(o=-11!,f=-16!) USER MOD Set 2.5: A 81 MET CE :methyl 174:sc= -4.7! (180deg=-3.75!) USER MOD Single : A 1 ILE N :NH3+ 169:sc= -0.0177 (180deg=-0.271) USER MOD Single : A 5 HIS :FLIP no HD1:sc= -0.0899 F(o=-0.75,f=-0.09) USER MOD Single : A 6 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 9 THR OG1 : rot 180:sc= -0.172 USER MOD Single : A 11 ASN : amide:sc= -2.85 K(o=-2.8,f=-6.7!) USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 13 THR OG1 : rot -76:sc= 0.253! USER MOD Single : A 16 GLN : amide:sc= -1.3 X(o=-1.3,f=-1.6) USER MOD Single : A 19 TYR OH : rot 130:sc= -2.62 USER MOD Single : A 24 GLN : amide:sc= -11.2! C(o=-11!,f=-19!) USER MOD Single : A 25 SER OG : rot 39:sc= 1.05 USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot -126:sc= 0.395 USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 THR OG1 : rot -53:sc= 0.21 USER MOD Single : A 35 THR OG1 : rot -33:sc= -0.543 USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 45 MET CE :methyl 149:sc= -3.75 (180deg=-6.74!) USER MOD Single : A 46 THR OG1 : rot 14:sc= 0.359 USER MOD Single : A 56 TYR OH : rot 30:sc= 0 USER MOD Single : A 57 TYR OH : rot 150:sc= -3.4 USER MOD Single : A 59 ASN : amide:sc= -0.446 X(o=-0.45,f=0) USER MOD Single : A 63 THR OG1 : rot -68:sc= -2.18 USER MOD Single : A 65 ASN :FLIP amide:sc= -0.674 F(o=-1.2,f=-0.67) USER MOD Single : A 66 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 ASN : amide:sc= -1.95 K(o=-2,f=-7.5!) USER MOD Single : A 79 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 THR OG1 : rot 70:sc= -3.98! USER MOD Single : A 84 SER OG : rot 23:sc= 1.01 USER MOD Single : A 89 TYR OH : rot 180:sc= -0.173 USER MOD Single : A 91 ASN : amide:sc= -4.76! C(o=-4.8!,f=-6.7!) USER MOD Single : A 93 THR OG1 : rot -96:sc= -1.86! USER MOD Single : A 98 THR OG1 : rot 180:sc= 0.102 USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ILE A 1 -2.493 -14.463 10.687 1.00 0.00 N ATOM 2 CA ILE A 1 -2.943 -15.714 11.350 1.00 0.00 C ATOM 3 C ILE A 1 -4.441 -15.931 11.156 1.00 0.00 C ATOM 4 O ILE A 1 -5.139 -16.379 12.066 1.00 0.00 O ATOM 5 CB ILE A 1 -2.622 -15.690 12.860 1.00 0.00 C ATOM 6 CG1 ILE A 1 -2.928 -17.049 13.493 1.00 0.00 C ATOM 7 CG2 ILE A 1 -3.404 -14.585 13.557 1.00 0.00 C ATOM 8 CD1 ILE A 1 -2.006 -17.401 14.641 1.00 0.00 C ATOM 0 H1 ILE A 1 -1.522 -14.241 10.986 1.00 0.00 H new ATOM 0 H2 ILE A 1 -2.517 -14.589 9.655 1.00 0.00 H new ATOM 0 H3 ILE A 1 -3.125 -13.681 10.955 1.00 0.00 H new ATOM 0 HA ILE A 1 -2.401 -16.537 10.884 1.00 0.00 H new ATOM 0 HB ILE A 1 -1.559 -15.485 12.983 1.00 0.00 H new ATOM 0 HG12 ILE A 1 -3.958 -17.051 13.851 1.00 0.00 H new ATOM 0 HG13 ILE A 1 -2.855 -17.822 12.728 1.00 0.00 H new ATOM 0 HG21 ILE A 1 -3.164 -14.585 14.620 1.00 0.00 H new ATOM 0 HG22 ILE A 1 -3.136 -13.621 13.124 1.00 0.00 H new ATOM 0 HG23 ILE A 1 -4.472 -14.757 13.426 1.00 0.00 H new ATOM 0 HD11 ILE A 1 -2.280 -18.377 15.042 1.00 0.00 H new ATOM 0 HD12 ILE A 1 -0.976 -17.432 14.285 1.00 0.00 H new ATOM 0 HD13 ILE A 1 -2.097 -16.648 15.424 1.00 0.00 H new ATOM 22 N GLU A 2 -4.928 -15.608 9.961 1.00 0.00 N ATOM 23 CA GLU A 2 -6.343 -15.764 9.641 1.00 0.00 C ATOM 24 C GLU A 2 -7.205 -14.856 10.513 1.00 0.00 C ATOM 25 O GLU A 2 -7.641 -13.791 10.073 1.00 0.00 O ATOM 26 CB GLU A 2 -6.772 -17.225 9.818 1.00 0.00 C ATOM 27 CG GLU A 2 -6.698 -18.038 8.537 1.00 0.00 C ATOM 28 CD GLU A 2 -6.537 -19.523 8.799 1.00 0.00 C ATOM 29 OE1 GLU A 2 -5.593 -19.899 9.525 1.00 0.00 O ATOM 30 OE2 GLU A 2 -7.353 -20.310 8.275 1.00 0.00 O ATOM 0 H GLU A 2 -4.363 -15.236 9.198 1.00 0.00 H new ATOM 0 HA GLU A 2 -6.487 -15.476 8.600 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -6.139 -17.692 10.572 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -7.793 -17.252 10.198 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -7.603 -17.872 7.952 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -5.860 -17.686 7.935 1.00 0.00 H new ATOM 37 N GLY A 3 -7.449 -15.280 11.748 1.00 0.00 N ATOM 38 CA GLY A 3 -8.258 -14.490 12.658 1.00 0.00 C ATOM 39 C GLY A 3 -8.179 -14.988 14.088 1.00 0.00 C ATOM 40 O GLY A 3 -7.246 -15.705 14.451 1.00 0.00 O ATOM 0 H GLY A 3 -7.101 -16.157 12.136 1.00 0.00 H new ATOM 0 HA2 GLY A 3 -7.931 -13.451 12.620 1.00 0.00 H new ATOM 0 HA3 GLY A 3 -9.296 -14.510 12.327 1.00 0.00 H new ATOM 44 N ARG A 4 -9.160 -14.607 14.900 1.00 0.00 N ATOM 45 CA ARG A 4 -9.197 -15.019 16.299 1.00 0.00 C ATOM 46 C ARG A 4 -10.568 -15.580 16.663 1.00 0.00 C ATOM 47 O ARG A 4 -10.705 -16.767 16.961 1.00 0.00 O ATOM 48 CB ARG A 4 -8.858 -13.838 17.208 1.00 0.00 C ATOM 49 CG ARG A 4 -7.605 -13.085 16.789 1.00 0.00 C ATOM 50 CD ARG A 4 -7.752 -11.589 17.011 1.00 0.00 C ATOM 51 NE ARG A 4 -8.909 -11.041 16.305 1.00 0.00 N ATOM 52 CZ ARG A 4 -9.395 -9.821 16.515 1.00 0.00 C ATOM 53 NH1 ARG A 4 -8.831 -9.018 17.410 1.00 0.00 N ATOM 54 NH2 ARG A 4 -10.450 -9.401 15.829 1.00 0.00 N ATOM 0 H ARG A 4 -9.939 -14.014 14.614 1.00 0.00 H new ATOM 0 HA ARG A 4 -8.454 -15.803 16.442 1.00 0.00 H new ATOM 0 HB2 ARG A 4 -9.700 -13.146 17.220 1.00 0.00 H new ATOM 0 HB3 ARG A 4 -8.729 -14.201 18.228 1.00 0.00 H new ATOM 0 HG2 ARG A 4 -6.751 -13.455 17.355 1.00 0.00 H new ATOM 0 HG3 ARG A 4 -7.398 -13.279 15.737 1.00 0.00 H new ATOM 0 HD2 ARG A 4 -7.850 -11.389 18.078 1.00 0.00 H new ATOM 0 HD3 ARG A 4 -6.848 -11.082 16.674 1.00 0.00 H new ATOM 0 HE ARG A 4 -9.370 -11.629 15.611 1.00 0.00 H new ATOM 0 HH11 ARG A 4 -8.020 -9.336 17.941 1.00 0.00 H new ATOM 0 HH12 ARG A 4 -9.209 -8.083 17.566 1.00 0.00 H new ATOM 0 HH21 ARG A 4 -10.888 -10.014 15.141 1.00 0.00 H new ATOM 0 HH22 ARG A 4 -10.823 -8.465 15.990 1.00 0.00 H new ATOM 68 N HIS A 5 -11.579 -14.718 16.641 1.00 0.00 N ATOM 69 CA HIS A 5 -12.940 -15.126 16.969 1.00 0.00 C ATOM 70 C HIS A 5 -13.908 -14.740 15.855 1.00 0.00 C ATOM 71 O HIS A 5 -13.495 -14.259 14.800 1.00 0.00 O ATOM 72 CB HIS A 5 -13.380 -14.490 18.289 1.00 0.00 C ATOM 73 CG HIS A 5 -13.419 -12.994 18.249 1.00 0.00 C ATOM 74 ND1 HIS A 5 -14.246 -12.145 17.594 1.00 0.00 N flip ATOM 75 CD2 HIS A 5 -12.527 -12.199 18.939 1.00 0.00 C flip ATOM 76 CE1 HIS A 5 -13.844 -10.869 17.899 1.00 0.00 C flip ATOM 77 NE2 HIS A 5 -12.806 -10.927 18.712 1.00 0.00 N flip ATOM 0 H HIS A 5 -11.481 -13.732 16.399 1.00 0.00 H new ATOM 0 HA HIS A 5 -12.953 -16.211 17.075 1.00 0.00 H new ATOM 0 HB2 HIS A 5 -14.370 -14.864 18.551 1.00 0.00 H new ATOM 0 HB3 HIS A 5 -12.700 -14.807 19.080 1.00 0.00 H new ATOM 0 HD2 HIS A 5 -11.726 -12.560 19.567 1.00 0.00 H new ATOM 0 HE1 HIS A 5 -14.303 -9.963 17.533 1.00 0.00 H new ATOM 0 HE2 HIS A 5 -12.305 -10.127 19.099 1.00 0.00 H new ATOM 86 N MET A 6 -15.198 -14.953 16.099 1.00 0.00 N ATOM 87 CA MET A 6 -16.224 -14.625 15.115 1.00 0.00 C ATOM 88 C MET A 6 -16.201 -13.138 14.776 1.00 0.00 C ATOM 89 O MET A 6 -16.920 -12.342 15.378 1.00 0.00 O ATOM 90 CB MET A 6 -17.606 -15.018 15.641 1.00 0.00 C ATOM 91 CG MET A 6 -18.732 -14.745 14.656 1.00 0.00 C ATOM 92 SD MET A 6 -19.223 -16.218 13.738 1.00 0.00 S ATOM 93 CE MET A 6 -20.802 -15.693 13.076 1.00 0.00 C ATOM 0 H MET A 6 -15.557 -15.350 16.967 1.00 0.00 H new ATOM 0 HA MET A 6 -16.013 -15.188 14.206 1.00 0.00 H new ATOM 0 HB2 MET A 6 -17.602 -16.079 15.891 1.00 0.00 H new ATOM 0 HB3 MET A 6 -17.802 -14.474 16.565 1.00 0.00 H new ATOM 0 HG2 MET A 6 -19.594 -14.353 15.195 1.00 0.00 H new ATOM 0 HG3 MET A 6 -18.417 -13.973 13.955 1.00 0.00 H new ATOM 0 HE1 MET A 6 -21.233 -16.499 12.482 1.00 0.00 H new ATOM 0 HE2 MET A 6 -21.476 -15.446 13.896 1.00 0.00 H new ATOM 0 HE3 MET A 6 -20.659 -14.815 12.446 1.00 0.00 H new ATOM 103 N ALA A 7 -15.368 -12.771 13.809 1.00 0.00 N ATOM 104 CA ALA A 7 -15.249 -11.380 13.387 1.00 0.00 C ATOM 105 C ALA A 7 -15.511 -11.234 11.891 1.00 0.00 C ATOM 106 O ALA A 7 -14.575 -11.146 11.095 1.00 0.00 O ATOM 107 CB ALA A 7 -13.870 -10.840 13.739 1.00 0.00 C ATOM 0 H ALA A 7 -14.764 -13.418 13.302 1.00 0.00 H new ATOM 0 HA ALA A 7 -16.003 -10.799 13.918 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -13.794 -9.801 13.419 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -13.720 -10.900 14.817 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -13.107 -11.432 13.233 1.00 0.00 H new ATOM 113 N PRO A 8 -16.793 -11.208 11.488 1.00 0.00 N ATOM 114 CA PRO A 8 -17.175 -11.072 10.080 1.00 0.00 C ATOM 115 C PRO A 8 -16.847 -9.692 9.521 1.00 0.00 C ATOM 116 O PRO A 8 -16.140 -8.908 10.153 1.00 0.00 O ATOM 117 CB PRO A 8 -18.689 -11.297 10.097 1.00 0.00 C ATOM 118 CG PRO A 8 -19.112 -10.928 11.476 1.00 0.00 C ATOM 119 CD PRO A 8 -17.967 -11.308 12.374 1.00 0.00 C ATOM 0 HA PRO A 8 -16.635 -11.772 9.443 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -19.189 -10.679 9.351 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -18.938 -12.334 9.871 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -19.326 -9.862 11.547 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -20.023 -11.456 11.760 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -17.885 -10.635 13.228 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -18.086 -12.316 12.772 1.00 0.00 H new ATOM 127 N THR A 9 -17.370 -9.401 8.333 1.00 0.00 N ATOM 128 CA THR A 9 -17.136 -8.113 7.684 1.00 0.00 C ATOM 129 C THR A 9 -15.686 -7.987 7.226 1.00 0.00 C ATOM 130 O THR A 9 -15.408 -7.913 6.029 1.00 0.00 O ATOM 131 CB THR A 9 -17.487 -6.964 8.632 1.00 0.00 C ATOM 132 OG1 THR A 9 -18.566 -7.322 9.477 1.00 0.00 O ATOM 133 CG2 THR A 9 -17.870 -5.689 7.911 1.00 0.00 C ATOM 0 H THR A 9 -17.959 -10.040 7.799 1.00 0.00 H new ATOM 0 HA THR A 9 -17.780 -8.058 6.807 1.00 0.00 H new ATOM 0 HB THR A 9 -16.581 -6.778 9.208 1.00 0.00 H new ATOM 0 HG1 THR A 9 -18.774 -6.575 10.076 1.00 0.00 H new ATOM 0 HG21 THR A 9 -18.107 -4.915 8.641 1.00 0.00 H new ATOM 0 HG22 THR A 9 -17.038 -5.359 7.289 1.00 0.00 H new ATOM 0 HG23 THR A 9 -18.741 -5.874 7.283 1.00 0.00 H new ATOM 141 N GLU A 10 -14.765 -7.958 8.184 1.00 0.00 N ATOM 142 CA GLU A 10 -13.345 -7.837 7.876 1.00 0.00 C ATOM 143 C GLU A 10 -12.579 -9.074 8.335 1.00 0.00 C ATOM 144 O GLU A 10 -13.062 -9.845 9.162 1.00 0.00 O ATOM 145 CB GLU A 10 -12.761 -6.589 8.543 1.00 0.00 C ATOM 146 CG GLU A 10 -13.664 -5.367 8.450 1.00 0.00 C ATOM 147 CD GLU A 10 -14.444 -5.121 9.726 1.00 0.00 C ATOM 148 OE1 GLU A 10 -13.954 -5.512 10.807 1.00 0.00 O ATOM 149 OE2 GLU A 10 -15.544 -4.536 9.646 1.00 0.00 O ATOM 0 H GLU A 10 -14.977 -8.017 9.180 1.00 0.00 H new ATOM 0 HA GLU A 10 -13.242 -7.747 6.795 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -12.566 -6.807 9.593 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -11.801 -6.357 8.082 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -13.059 -4.489 8.223 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -14.361 -5.497 7.622 1.00 0.00 H new ATOM 156 N ASN A 11 -11.377 -9.254 7.790 1.00 0.00 N ATOM 157 CA ASN A 11 -10.536 -10.394 8.142 1.00 0.00 C ATOM 158 C ASN A 11 -11.175 -11.708 7.699 1.00 0.00 C ATOM 159 O ASN A 11 -10.767 -12.300 6.699 1.00 0.00 O ATOM 160 CB ASN A 11 -10.277 -10.420 9.651 1.00 0.00 C ATOM 161 CG ASN A 11 -8.947 -9.791 10.019 1.00 0.00 C ATOM 162 OD1 ASN A 11 -8.113 -9.523 9.154 1.00 0.00 O ATOM 163 ND2 ASN A 11 -8.741 -9.554 11.309 1.00 0.00 N ATOM 0 H ASN A 11 -10.964 -8.624 7.102 1.00 0.00 H new ATOM 0 HA ASN A 11 -9.586 -10.283 7.619 1.00 0.00 H new ATOM 0 HB2 ASN A 11 -11.080 -9.891 10.164 1.00 0.00 H new ATOM 0 HB3 ASN A 11 -10.298 -11.451 10.003 1.00 0.00 H new ATOM 0 HD21 ASN A 11 -7.864 -9.134 11.617 1.00 0.00 H new ATOM 0 HD22 ASN A 11 -9.460 -9.792 11.992 1.00 0.00 H new ATOM 170 N SER A 12 -12.171 -12.164 8.451 1.00 0.00 N ATOM 171 CA SER A 12 -12.856 -13.412 8.135 1.00 0.00 C ATOM 172 C SER A 12 -14.043 -13.171 7.207 1.00 0.00 C ATOM 173 O SER A 12 -14.498 -12.040 7.047 1.00 0.00 O ATOM 174 CB SER A 12 -13.332 -14.095 9.420 1.00 0.00 C ATOM 175 OG SER A 12 -12.287 -14.841 10.017 1.00 0.00 O ATOM 0 H SER A 12 -12.522 -11.689 9.283 1.00 0.00 H new ATOM 0 HA SER A 12 -12.147 -14.062 7.622 1.00 0.00 H new ATOM 0 HB2 SER A 12 -13.694 -13.344 10.122 1.00 0.00 H new ATOM 0 HB3 SER A 12 -14.171 -14.753 9.196 1.00 0.00 H new ATOM 0 HG SER A 12 -12.615 -15.266 10.837 1.00 0.00 H new ATOM 181 N THR A 13 -14.537 -14.249 6.600 1.00 0.00 N ATOM 182 CA THR A 13 -15.674 -14.177 5.684 1.00 0.00 C ATOM 183 C THR A 13 -15.311 -13.431 4.402 1.00 0.00 C ATOM 184 O THR A 13 -15.331 -14.007 3.314 1.00 0.00 O ATOM 185 CB THR A 13 -16.880 -13.512 6.362 1.00 0.00 C ATOM 186 OG1 THR A 13 -16.797 -12.100 6.281 1.00 0.00 O ATOM 187 CG2 THR A 13 -17.028 -13.878 7.823 1.00 0.00 C ATOM 0 H THR A 13 -14.164 -15.190 6.728 1.00 0.00 H new ATOM 0 HA THR A 13 -15.943 -15.199 5.416 1.00 0.00 H new ATOM 0 HB THR A 13 -17.748 -13.886 5.819 1.00 0.00 H new ATOM 0 HG1 THR A 13 -16.144 -11.773 6.934 1.00 0.00 H new ATOM 0 HG21 THR A 13 -17.900 -13.373 8.238 1.00 0.00 H new ATOM 0 HG22 THR A 13 -17.155 -14.957 7.917 1.00 0.00 H new ATOM 0 HG23 THR A 13 -16.136 -13.569 8.368 1.00 0.00 H new ATOM 195 N GLY A 14 -14.980 -12.151 4.533 1.00 0.00 N ATOM 196 CA GLY A 14 -14.623 -11.355 3.373 1.00 0.00 C ATOM 197 C GLY A 14 -13.407 -11.897 2.646 1.00 0.00 C ATOM 198 O GLY A 14 -13.354 -11.881 1.416 1.00 0.00 O ATOM 0 H GLY A 14 -14.952 -11.650 5.421 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -15.468 -11.322 2.685 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -14.427 -10.330 3.687 1.00 0.00 H new ATOM 202 N VAL A 15 -12.426 -12.373 3.405 1.00 0.00 N ATOM 203 CA VAL A 15 -11.203 -12.916 2.823 1.00 0.00 C ATOM 204 C VAL A 15 -11.511 -14.054 1.856 1.00 0.00 C ATOM 205 O VAL A 15 -12.547 -14.712 1.963 1.00 0.00 O ATOM 206 CB VAL A 15 -10.239 -13.424 3.913 1.00 0.00 C ATOM 207 CG1 VAL A 15 -10.853 -14.585 4.681 1.00 0.00 C ATOM 208 CG2 VAL A 15 -8.906 -13.824 3.299 1.00 0.00 C ATOM 0 H VAL A 15 -12.453 -12.394 4.424 1.00 0.00 H new ATOM 0 HA VAL A 15 -10.724 -12.103 2.278 1.00 0.00 H new ATOM 0 HB VAL A 15 -10.061 -12.613 4.619 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -10.154 -14.926 5.445 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -11.778 -14.258 5.156 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -11.067 -15.403 3.994 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -8.237 -14.180 4.082 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -9.065 -14.618 2.569 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -8.459 -12.961 2.805 1.00 0.00 H new ATOM 218 N GLN A 16 -10.605 -14.284 0.910 1.00 0.00 N ATOM 219 CA GLN A 16 -10.783 -15.343 -0.074 1.00 0.00 C ATOM 220 C GLN A 16 -9.450 -15.731 -0.709 1.00 0.00 C ATOM 221 O GLN A 16 -9.405 -16.165 -1.860 1.00 0.00 O ATOM 222 CB GLN A 16 -11.766 -14.899 -1.158 1.00 0.00 C ATOM 223 CG GLN A 16 -12.583 -16.040 -1.744 1.00 0.00 C ATOM 224 CD GLN A 16 -11.892 -16.708 -2.918 1.00 0.00 C ATOM 225 OE1 GLN A 16 -11.353 -17.806 -2.792 1.00 0.00 O ATOM 226 NE2 GLN A 16 -11.907 -16.043 -4.067 1.00 0.00 N ATOM 0 H GLN A 16 -9.742 -13.751 0.805 1.00 0.00 H new ATOM 0 HA GLN A 16 -11.186 -16.216 0.440 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -12.444 -14.156 -0.739 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -11.213 -14.410 -1.960 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -12.773 -16.782 -0.968 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -13.553 -15.660 -2.066 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -12.367 -15.134 -4.124 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -11.459 -16.441 -4.892 1.00 0.00 H new ATOM 235 N ASP A 17 -8.367 -15.575 0.046 1.00 0.00 N ATOM 236 CA ASP A 17 -7.040 -15.916 -0.451 1.00 0.00 C ATOM 237 C ASP A 17 -6.074 -16.192 0.693 1.00 0.00 C ATOM 238 O ASP A 17 -6.175 -15.592 1.760 1.00 0.00 O ATOM 239 CB ASP A 17 -6.494 -14.793 -1.333 1.00 0.00 C ATOM 240 CG ASP A 17 -5.678 -15.318 -2.498 1.00 0.00 C ATOM 241 OD1 ASP A 17 -4.480 -15.612 -2.301 1.00 0.00 O ATOM 242 OD2 ASP A 17 -6.238 -15.437 -3.610 1.00 0.00 O ATOM 0 H ASP A 17 -8.382 -15.216 1.001 1.00 0.00 H new ATOM 0 HA ASP A 17 -7.134 -16.825 -1.046 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -7.324 -14.197 -1.713 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -5.875 -14.129 -0.730 1.00 0.00 H new ATOM 247 N CYS A 18 -5.134 -17.104 0.454 1.00 0.00 N ATOM 248 CA CYS A 18 -4.146 -17.465 1.458 1.00 0.00 C ATOM 249 C CYS A 18 -2.803 -16.807 1.151 1.00 0.00 C ATOM 250 O CYS A 18 -2.528 -16.440 0.010 1.00 0.00 O ATOM 251 CB CYS A 18 -3.998 -18.990 1.549 1.00 0.00 C ATOM 252 SG CYS A 18 -2.914 -19.736 0.285 1.00 0.00 S ATOM 0 H CYS A 18 -5.039 -17.605 -0.429 1.00 0.00 H new ATOM 0 HA CYS A 18 -4.491 -17.100 2.425 1.00 0.00 H new ATOM 0 HB2 CYS A 18 -3.609 -19.244 2.535 1.00 0.00 H new ATOM 0 HB3 CYS A 18 -4.987 -19.441 1.470 1.00 0.00 H new ATOM 257 N TYR A 19 -1.980 -16.652 2.181 1.00 0.00 N ATOM 258 CA TYR A 19 -0.679 -16.029 2.029 1.00 0.00 C ATOM 259 C TYR A 19 0.425 -17.079 2.079 1.00 0.00 C ATOM 260 O TYR A 19 0.154 -18.263 2.281 1.00 0.00 O ATOM 261 CB TYR A 19 -0.463 -14.971 3.118 1.00 0.00 C ATOM 262 CG TYR A 19 -0.201 -15.523 4.504 1.00 0.00 C ATOM 263 CD1 TYR A 19 1.017 -16.106 4.831 1.00 0.00 C ATOM 264 CD2 TYR A 19 -1.175 -15.446 5.492 1.00 0.00 C ATOM 265 CE1 TYR A 19 1.255 -16.597 6.100 1.00 0.00 C ATOM 266 CE2 TYR A 19 -0.943 -15.932 6.762 1.00 0.00 C ATOM 267 CZ TYR A 19 0.273 -16.509 7.061 1.00 0.00 C ATOM 268 OH TYR A 19 0.508 -16.995 8.327 1.00 0.00 O ATOM 0 H TYR A 19 -2.195 -16.952 3.132 1.00 0.00 H new ATOM 0 HA TYR A 19 -0.642 -15.538 1.057 1.00 0.00 H new ATOM 0 HB2 TYR A 19 0.378 -14.341 2.829 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -1.343 -14.329 3.159 1.00 0.00 H new ATOM 0 HD1 TYR A 19 1.791 -16.176 4.081 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -2.130 -14.998 5.262 1.00 0.00 H new ATOM 0 HE1 TYR A 19 2.207 -17.048 6.337 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -1.710 -15.861 7.519 1.00 0.00 H new ATOM 0 HH TYR A 19 0.267 -16.314 8.989 1.00 0.00 H new ATOM 278 N ARG A 20 1.670 -16.651 1.897 1.00 0.00 N ATOM 279 CA ARG A 20 2.798 -17.575 1.929 1.00 0.00 C ATOM 280 C ARG A 20 3.968 -16.989 2.711 1.00 0.00 C ATOM 281 O ARG A 20 4.341 -15.831 2.516 1.00 0.00 O ATOM 282 CB ARG A 20 3.233 -17.930 0.508 1.00 0.00 C ATOM 283 CG ARG A 20 2.145 -18.621 -0.298 1.00 0.00 C ATOM 284 CD ARG A 20 2.729 -19.619 -1.285 1.00 0.00 C ATOM 285 NE ARG A 20 3.376 -18.958 -2.415 1.00 0.00 N ATOM 286 CZ ARG A 20 4.242 -19.557 -3.229 1.00 0.00 C ATOM 287 NH1 ARG A 20 4.566 -20.831 -3.041 1.00 0.00 N ATOM 288 NH2 ARG A 20 4.783 -18.883 -4.233 1.00 0.00 N ATOM 0 H ARG A 20 1.922 -15.677 1.727 1.00 0.00 H new ATOM 0 HA ARG A 20 2.475 -18.484 2.437 1.00 0.00 H new ATOM 0 HB2 ARG A 20 3.537 -17.020 -0.010 1.00 0.00 H new ATOM 0 HB3 ARG A 20 4.108 -18.578 0.554 1.00 0.00 H new ATOM 0 HG2 ARG A 20 1.461 -19.134 0.378 1.00 0.00 H new ATOM 0 HG3 ARG A 20 1.561 -17.875 -0.837 1.00 0.00 H new ATOM 0 HD2 ARG A 20 3.453 -20.253 -0.773 1.00 0.00 H new ATOM 0 HD3 ARG A 20 1.937 -20.271 -1.652 1.00 0.00 H new ATOM 0 HE ARG A 20 3.151 -17.979 -2.591 1.00 0.00 H new ATOM 0 HH11 ARG A 20 4.151 -21.354 -2.270 1.00 0.00 H new ATOM 0 HH12 ARG A 20 5.230 -21.286 -3.667 1.00 0.00 H new ATOM 0 HH21 ARG A 20 4.536 -17.905 -4.382 1.00 0.00 H new ATOM 0 HH22 ARG A 20 5.447 -19.342 -4.857 1.00 0.00 H new ATOM 302 N GLY A 21 4.542 -17.795 3.602 1.00 0.00 N ATOM 303 CA GLY A 21 5.659 -17.337 4.408 1.00 0.00 C ATOM 304 C GLY A 21 5.332 -16.063 5.160 1.00 0.00 C ATOM 305 O GLY A 21 4.543 -16.079 6.104 1.00 0.00 O ATOM 0 H GLY A 21 4.252 -18.757 3.779 1.00 0.00 H new ATOM 0 HA2 GLY A 21 5.937 -18.116 5.118 1.00 0.00 H new ATOM 0 HA3 GLY A 21 6.524 -17.167 3.766 1.00 0.00 H new ATOM 309 N ASP A 22 5.928 -14.958 4.731 1.00 0.00 N ATOM 310 CA ASP A 22 5.681 -13.668 5.360 1.00 0.00 C ATOM 311 C ASP A 22 5.121 -12.683 4.347 1.00 0.00 C ATOM 312 O ASP A 22 5.871 -12.049 3.603 1.00 0.00 O ATOM 313 CB ASP A 22 6.964 -13.103 5.972 1.00 0.00 C ATOM 314 CG ASP A 22 7.495 -13.963 7.102 1.00 0.00 C ATOM 315 OD1 ASP A 22 6.959 -13.863 8.226 1.00 0.00 O ATOM 316 OD2 ASP A 22 8.448 -14.733 6.864 1.00 0.00 O ATOM 0 H ASP A 22 6.585 -14.929 3.951 1.00 0.00 H new ATOM 0 HA ASP A 22 4.952 -13.818 6.156 1.00 0.00 H new ATOM 0 HB2 ASP A 22 7.725 -13.017 5.197 1.00 0.00 H new ATOM 0 HB3 ASP A 22 6.773 -12.097 6.344 1.00 0.00 H new ATOM 321 N GLY A 23 3.801 -12.548 4.325 1.00 0.00 N ATOM 322 CA GLY A 23 3.176 -11.622 3.402 1.00 0.00 C ATOM 323 C GLY A 23 3.377 -10.183 3.830 1.00 0.00 C ATOM 324 O GLY A 23 2.413 -9.471 4.106 1.00 0.00 O ATOM 0 H GLY A 23 3.156 -13.060 4.926 1.00 0.00 H new ATOM 0 HA2 GLY A 23 3.591 -11.766 2.405 1.00 0.00 H new ATOM 0 HA3 GLY A 23 2.109 -11.837 3.337 1.00 0.00 H new ATOM 328 N GLN A 24 4.635 -9.756 3.900 1.00 0.00 N ATOM 329 CA GLN A 24 4.959 -8.397 4.315 1.00 0.00 C ATOM 330 C GLN A 24 6.161 -7.854 3.550 1.00 0.00 C ATOM 331 O GLN A 24 6.141 -6.722 3.067 1.00 0.00 O ATOM 332 CB GLN A 24 5.248 -8.364 5.817 1.00 0.00 C ATOM 333 CG GLN A 24 4.141 -8.972 6.663 1.00 0.00 C ATOM 334 CD GLN A 24 4.464 -10.376 7.128 1.00 0.00 C ATOM 335 OE1 GLN A 24 4.125 -11.353 6.469 1.00 0.00 O ATOM 336 NE2 GLN A 24 5.113 -10.479 8.277 1.00 0.00 N ATOM 0 H GLN A 24 5.446 -10.333 3.674 1.00 0.00 H new ATOM 0 HA GLN A 24 4.099 -7.765 4.093 1.00 0.00 H new ATOM 0 HB2 GLN A 24 6.178 -8.899 6.011 1.00 0.00 H new ATOM 0 HB3 GLN A 24 5.404 -7.330 6.126 1.00 0.00 H new ATOM 0 HG2 GLN A 24 3.964 -8.338 7.532 1.00 0.00 H new ATOM 0 HG3 GLN A 24 3.216 -8.989 6.086 1.00 0.00 H new ATOM 0 HE21 GLN A 24 5.375 -9.638 8.792 1.00 0.00 H new ATOM 0 HE22 GLN A 24 5.351 -11.399 8.648 1.00 0.00 H new ATOM 345 N SER A 25 7.211 -8.665 3.455 1.00 0.00 N ATOM 346 CA SER A 25 8.430 -8.264 2.758 1.00 0.00 C ATOM 347 C SER A 25 8.148 -7.928 1.296 1.00 0.00 C ATOM 348 O SER A 25 8.361 -8.755 0.408 1.00 0.00 O ATOM 349 CB SER A 25 9.478 -9.375 2.844 1.00 0.00 C ATOM 350 OG SER A 25 9.113 -10.484 2.041 1.00 0.00 O ATOM 0 H SER A 25 7.243 -9.604 3.852 1.00 0.00 H new ATOM 0 HA SER A 25 8.814 -7.368 3.245 1.00 0.00 H new ATOM 0 HB2 SER A 25 10.446 -8.992 2.522 1.00 0.00 H new ATOM 0 HB3 SER A 25 9.590 -9.694 3.880 1.00 0.00 H new ATOM 0 HG SER A 25 8.710 -10.165 1.206 1.00 0.00 H new ATOM 356 N TYR A 26 7.674 -6.709 1.054 1.00 0.00 N ATOM 357 CA TYR A 26 7.367 -6.258 -0.302 1.00 0.00 C ATOM 358 C TYR A 26 6.533 -7.295 -1.054 1.00 0.00 C ATOM 359 O TYR A 26 5.968 -8.206 -0.449 1.00 0.00 O ATOM 360 CB TYR A 26 8.663 -5.972 -1.066 1.00 0.00 C ATOM 361 CG TYR A 26 9.663 -5.157 -0.279 1.00 0.00 C ATOM 362 CD1 TYR A 26 9.533 -3.778 -0.174 1.00 0.00 C ATOM 363 CD2 TYR A 26 10.736 -5.766 0.359 1.00 0.00 C ATOM 364 CE1 TYR A 26 10.446 -3.029 0.544 1.00 0.00 C ATOM 365 CE2 TYR A 26 11.652 -5.023 1.079 1.00 0.00 C ATOM 366 CZ TYR A 26 11.503 -3.655 1.168 1.00 0.00 C ATOM 367 OH TYR A 26 12.414 -2.913 1.885 1.00 0.00 O ATOM 0 H TYR A 26 7.494 -6.015 1.779 1.00 0.00 H new ATOM 0 HA TYR A 26 6.782 -5.341 -0.230 1.00 0.00 H new ATOM 0 HB2 TYR A 26 9.123 -6.918 -1.352 1.00 0.00 H new ATOM 0 HB3 TYR A 26 8.422 -5.444 -1.988 1.00 0.00 H new ATOM 0 HD1 TYR A 26 8.706 -3.283 -0.661 1.00 0.00 H new ATOM 0 HD2 TYR A 26 10.856 -6.837 0.291 1.00 0.00 H new ATOM 0 HE1 TYR A 26 10.331 -1.957 0.616 1.00 0.00 H new ATOM 0 HE2 TYR A 26 12.481 -5.511 1.570 1.00 0.00 H new ATOM 0 HH TYR A 26 13.096 -3.508 2.262 1.00 0.00 H new ATOM 377 N ARG A 27 6.459 -7.149 -2.373 1.00 0.00 N ATOM 378 CA ARG A 27 5.694 -8.073 -3.206 1.00 0.00 C ATOM 379 C ARG A 27 4.206 -7.992 -2.881 1.00 0.00 C ATOM 380 O ARG A 27 3.745 -8.560 -1.891 1.00 0.00 O ATOM 381 CB ARG A 27 6.198 -9.505 -3.014 1.00 0.00 C ATOM 382 CG ARG A 27 7.155 -9.963 -4.103 1.00 0.00 C ATOM 383 CD ARG A 27 6.449 -10.815 -5.145 1.00 0.00 C ATOM 384 NE ARG A 27 7.036 -10.654 -6.472 1.00 0.00 N ATOM 385 CZ ARG A 27 6.786 -9.619 -7.272 1.00 0.00 C ATOM 386 NH1 ARG A 27 5.964 -8.654 -6.883 1.00 0.00 N ATOM 387 NH2 ARG A 27 7.362 -9.550 -8.464 1.00 0.00 N ATOM 0 H ARG A 27 6.919 -6.399 -2.889 1.00 0.00 H new ATOM 0 HA ARG A 27 5.834 -7.786 -4.248 1.00 0.00 H new ATOM 0 HB2 ARG A 27 6.697 -9.579 -2.048 1.00 0.00 H new ATOM 0 HB3 ARG A 27 5.344 -10.181 -2.984 1.00 0.00 H new ATOM 0 HG2 ARG A 27 7.602 -9.093 -4.585 1.00 0.00 H new ATOM 0 HG3 ARG A 27 7.969 -10.534 -3.656 1.00 0.00 H new ATOM 0 HD2 ARG A 27 6.500 -11.863 -4.851 1.00 0.00 H new ATOM 0 HD3 ARG A 27 5.394 -10.544 -5.180 1.00 0.00 H new ATOM 0 HE ARG A 27 7.675 -11.376 -6.806 1.00 0.00 H new ATOM 0 HH11 ARG A 27 5.519 -8.702 -5.966 1.00 0.00 H new ATOM 0 HH12 ARG A 27 5.777 -7.864 -7.500 1.00 0.00 H new ATOM 0 HH21 ARG A 27 7.996 -10.289 -8.768 1.00 0.00 H new ATOM 0 HH22 ARG A 27 7.171 -8.758 -9.078 1.00 0.00 H new ATOM 401 N GLY A 28 3.461 -7.282 -3.721 1.00 0.00 N ATOM 402 CA GLY A 28 2.032 -7.138 -3.507 1.00 0.00 C ATOM 403 C GLY A 28 1.337 -6.454 -4.667 1.00 0.00 C ATOM 404 O GLY A 28 1.036 -5.262 -4.604 1.00 0.00 O ATOM 0 H GLY A 28 3.821 -6.803 -4.547 1.00 0.00 H new ATOM 0 HA2 GLY A 28 1.590 -8.122 -3.352 1.00 0.00 H new ATOM 0 HA3 GLY A 28 1.860 -6.565 -2.596 1.00 0.00 H new ATOM 408 N THR A 29 1.083 -7.210 -5.730 1.00 0.00 N ATOM 409 CA THR A 29 0.418 -6.669 -6.911 1.00 0.00 C ATOM 410 C THR A 29 -1.071 -7.003 -6.898 1.00 0.00 C ATOM 411 O THR A 29 -1.687 -7.180 -7.949 1.00 0.00 O ATOM 412 CB THR A 29 1.064 -7.219 -8.183 1.00 0.00 C ATOM 413 OG1 THR A 29 0.940 -8.629 -8.239 1.00 0.00 O ATOM 414 CG2 THR A 29 2.535 -6.882 -8.301 1.00 0.00 C ATOM 0 H THR A 29 1.327 -8.198 -5.798 1.00 0.00 H new ATOM 0 HA THR A 29 0.529 -5.585 -6.895 1.00 0.00 H new ATOM 0 HB THR A 29 0.532 -6.743 -9.007 1.00 0.00 H new ATOM 0 HG1 THR A 29 1.358 -8.962 -9.061 1.00 0.00 H new ATOM 0 HG21 THR A 29 2.931 -7.302 -9.225 1.00 0.00 H new ATOM 0 HG22 THR A 29 2.661 -5.799 -8.311 1.00 0.00 H new ATOM 0 HG23 THR A 29 3.074 -7.302 -7.452 1.00 0.00 H new ATOM 422 N LEU A 30 -1.643 -7.086 -5.701 1.00 0.00 N ATOM 423 CA LEU A 30 -3.060 -7.398 -5.549 1.00 0.00 C ATOM 424 C LEU A 30 -3.893 -6.121 -5.540 1.00 0.00 C ATOM 425 O LEU A 30 -4.872 -5.999 -6.275 1.00 0.00 O ATOM 426 CB LEU A 30 -3.312 -8.196 -4.261 1.00 0.00 C ATOM 427 CG LEU A 30 -2.066 -8.803 -3.605 1.00 0.00 C ATOM 428 CD1 LEU A 30 -2.448 -9.610 -2.373 1.00 0.00 C ATOM 429 CD2 LEU A 30 -1.306 -9.670 -4.597 1.00 0.00 C ATOM 0 H LEU A 30 -1.147 -6.941 -4.822 1.00 0.00 H new ATOM 0 HA LEU A 30 -3.360 -8.009 -6.400 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -3.799 -7.541 -3.538 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -4.012 -9.001 -4.484 1.00 0.00 H new ATOM 0 HG LEU A 30 -1.413 -7.988 -3.292 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -1.550 -10.032 -1.922 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -2.945 -8.961 -1.652 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -3.123 -10.416 -2.661 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -0.425 -10.091 -4.112 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -1.951 -10.478 -4.943 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -0.996 -9.063 -5.448 1.00 0.00 H new ATOM 441 N SER A 31 -3.495 -5.171 -4.700 1.00 0.00 N ATOM 442 CA SER A 31 -4.200 -3.899 -4.589 1.00 0.00 C ATOM 443 C SER A 31 -5.654 -4.117 -4.177 1.00 0.00 C ATOM 444 O SER A 31 -6.568 -3.525 -4.750 1.00 0.00 O ATOM 445 CB SER A 31 -4.139 -3.142 -5.918 1.00 0.00 C ATOM 446 OG SER A 31 -3.030 -3.561 -6.694 1.00 0.00 O ATOM 0 H SER A 31 -2.686 -5.258 -4.085 1.00 0.00 H new ATOM 0 HA SER A 31 -3.710 -3.304 -3.818 1.00 0.00 H new ATOM 0 HB2 SER A 31 -5.060 -3.307 -6.476 1.00 0.00 H new ATOM 0 HB3 SER A 31 -4.069 -2.071 -5.727 1.00 0.00 H new ATOM 0 HG SER A 31 -2.490 -2.781 -6.941 1.00 0.00 H new ATOM 452 N THR A 32 -5.856 -4.969 -3.179 1.00 0.00 N ATOM 453 CA THR A 32 -7.194 -5.266 -2.685 1.00 0.00 C ATOM 454 C THR A 32 -7.238 -5.169 -1.162 1.00 0.00 C ATOM 455 O THR A 32 -6.382 -4.528 -0.556 1.00 0.00 O ATOM 456 CB THR A 32 -7.627 -6.660 -3.147 1.00 0.00 C ATOM 457 OG1 THR A 32 -6.995 -7.002 -4.367 1.00 0.00 O ATOM 458 CG2 THR A 32 -9.121 -6.781 -3.354 1.00 0.00 C ATOM 0 H THR A 32 -5.108 -5.467 -2.696 1.00 0.00 H new ATOM 0 HA THR A 32 -7.888 -4.531 -3.093 1.00 0.00 H new ATOM 0 HB THR A 32 -7.330 -7.337 -2.346 1.00 0.00 H new ATOM 0 HG1 THR A 32 -7.283 -7.897 -4.645 1.00 0.00 H new ATOM 0 HG21 THR A 32 -9.362 -7.792 -3.681 1.00 0.00 H new ATOM 0 HG22 THR A 32 -9.636 -6.570 -2.417 1.00 0.00 H new ATOM 0 HG23 THR A 32 -9.442 -6.068 -4.113 1.00 0.00 H new ATOM 466 N THR A 33 -8.234 -5.805 -0.546 1.00 0.00 N ATOM 467 CA THR A 33 -8.372 -5.778 0.902 1.00 0.00 C ATOM 468 C THR A 33 -9.056 -7.049 1.409 1.00 0.00 C ATOM 469 O THR A 33 -8.397 -8.059 1.654 1.00 0.00 O ATOM 470 CB THR A 33 -9.159 -4.540 1.341 1.00 0.00 C ATOM 471 OG1 THR A 33 -10.173 -4.232 0.401 1.00 0.00 O ATOM 472 CG2 THR A 33 -8.304 -3.304 1.507 1.00 0.00 C ATOM 0 H THR A 33 -8.953 -6.343 -1.029 1.00 0.00 H new ATOM 0 HA THR A 33 -7.374 -5.731 1.337 1.00 0.00 H new ATOM 0 HB THR A 33 -9.579 -4.802 2.312 1.00 0.00 H new ATOM 0 HG1 THR A 33 -9.780 -4.169 -0.495 1.00 0.00 H new ATOM 0 HG21 THR A 33 -8.930 -2.468 1.819 1.00 0.00 H new ATOM 0 HG22 THR A 33 -7.541 -3.488 2.263 1.00 0.00 H new ATOM 0 HG23 THR A 33 -7.824 -3.064 0.558 1.00 0.00 H new ATOM 480 N ILE A 34 -10.376 -6.995 1.579 1.00 0.00 N ATOM 481 CA ILE A 34 -11.119 -8.146 2.072 1.00 0.00 C ATOM 482 C ILE A 34 -12.499 -8.268 1.417 1.00 0.00 C ATOM 483 O ILE A 34 -13.269 -9.169 1.749 1.00 0.00 O ATOM 484 CB ILE A 34 -11.275 -8.075 3.606 1.00 0.00 C ATOM 485 CG1 ILE A 34 -11.366 -9.480 4.195 1.00 0.00 C ATOM 486 CG2 ILE A 34 -12.489 -7.244 4.004 1.00 0.00 C ATOM 487 CD1 ILE A 34 -10.020 -10.154 4.345 1.00 0.00 C ATOM 0 H ILE A 34 -10.946 -6.172 1.384 1.00 0.00 H new ATOM 0 HA ILE A 34 -10.544 -9.032 1.805 1.00 0.00 H new ATOM 0 HB ILE A 34 -10.392 -7.582 4.012 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -11.849 -9.427 5.171 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -12.003 -10.093 3.557 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -12.569 -7.215 5.091 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -12.377 -6.230 3.621 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -13.390 -7.693 3.586 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -10.156 -11.149 4.769 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -9.544 -10.238 3.368 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -9.388 -9.561 5.006 1.00 0.00 H new ATOM 499 N THR A 35 -12.811 -7.366 0.488 1.00 0.00 N ATOM 500 CA THR A 35 -14.100 -7.396 -0.193 1.00 0.00 C ATOM 501 C THR A 35 -14.046 -6.627 -1.509 1.00 0.00 C ATOM 502 O THR A 35 -15.064 -6.127 -1.988 1.00 0.00 O ATOM 503 CB THR A 35 -15.189 -6.811 0.708 1.00 0.00 C ATOM 504 OG1 THR A 35 -15.066 -7.307 2.030 1.00 0.00 O ATOM 505 CG2 THR A 35 -16.592 -7.124 0.231 1.00 0.00 C ATOM 0 H THR A 35 -12.192 -6.611 0.192 1.00 0.00 H new ATOM 0 HA THR A 35 -14.338 -8.436 -0.415 1.00 0.00 H new ATOM 0 HB THR A 35 -15.042 -5.731 0.675 1.00 0.00 H new ATOM 0 HG1 THR A 35 -14.730 -8.227 2.004 1.00 0.00 H new ATOM 0 HG21 THR A 35 -17.316 -6.680 0.914 1.00 0.00 H new ATOM 0 HG22 THR A 35 -16.737 -6.713 -0.768 1.00 0.00 H new ATOM 0 HG23 THR A 35 -16.734 -8.204 0.203 1.00 0.00 H new ATOM 513 N GLY A 36 -12.855 -6.542 -2.096 1.00 0.00 N ATOM 514 CA GLY A 36 -12.702 -5.840 -3.355 1.00 0.00 C ATOM 515 C GLY A 36 -12.258 -4.399 -3.186 1.00 0.00 C ATOM 516 O GLY A 36 -11.812 -3.768 -4.143 1.00 0.00 O ATOM 0 H GLY A 36 -11.996 -6.946 -1.722 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -11.974 -6.368 -3.972 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -13.650 -5.861 -3.893 1.00 0.00 H new ATOM 520 N ARG A 37 -12.379 -3.870 -1.969 1.00 0.00 N ATOM 521 CA ARG A 37 -11.980 -2.494 -1.703 1.00 0.00 C ATOM 522 C ARG A 37 -10.483 -2.318 -1.944 1.00 0.00 C ATOM 523 O ARG A 37 -9.732 -3.292 -1.962 1.00 0.00 O ATOM 524 CB ARG A 37 -12.339 -2.103 -0.269 1.00 0.00 C ATOM 525 CG ARG A 37 -13.801 -1.727 -0.092 1.00 0.00 C ATOM 526 CD ARG A 37 -14.661 -2.952 0.176 1.00 0.00 C ATOM 527 NE ARG A 37 -14.278 -3.629 1.413 1.00 0.00 N ATOM 528 CZ ARG A 37 -14.649 -3.223 2.625 1.00 0.00 C ATOM 529 NH1 ARG A 37 -15.407 -2.144 2.769 1.00 0.00 N ATOM 530 NH2 ARG A 37 -14.259 -3.900 3.698 1.00 0.00 N ATOM 0 H ARG A 37 -12.747 -4.370 -1.160 1.00 0.00 H new ATOM 0 HA ARG A 37 -12.520 -1.838 -2.386 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -12.102 -2.934 0.396 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -11.716 -1.262 0.037 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -13.900 -1.024 0.735 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -14.158 -1.219 -0.988 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -15.708 -2.654 0.235 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -14.573 -3.646 -0.660 1.00 0.00 H new ATOM 0 HE ARG A 37 -13.692 -4.461 1.344 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -15.709 -1.620 1.948 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -15.688 -1.839 3.701 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -13.676 -4.730 3.593 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -14.543 -3.590 4.627 1.00 0.00 H new ATOM 544 N THR A 38 -10.058 -1.076 -2.147 1.00 0.00 N ATOM 545 CA THR A 38 -8.650 -0.791 -2.406 1.00 0.00 C ATOM 546 C THR A 38 -7.989 -0.079 -1.238 1.00 0.00 C ATOM 547 O THR A 38 -8.604 0.742 -0.562 1.00 0.00 O ATOM 548 CB THR A 38 -8.496 0.070 -3.657 1.00 0.00 C ATOM 549 OG1 THR A 38 -8.831 1.428 -3.383 1.00 0.00 O ATOM 550 CG2 THR A 38 -9.355 -0.392 -4.814 1.00 0.00 C ATOM 0 H THR A 38 -10.663 -0.255 -2.138 1.00 0.00 H new ATOM 0 HA THR A 38 -8.158 -1.753 -2.551 1.00 0.00 H new ATOM 0 HB THR A 38 -7.449 -0.027 -3.944 1.00 0.00 H new ATOM 0 HG1 THR A 38 -8.724 1.962 -4.198 1.00 0.00 H new ATOM 0 HG21 THR A 38 -9.196 0.264 -5.670 1.00 0.00 H new ATOM 0 HG22 THR A 38 -9.084 -1.413 -5.084 1.00 0.00 H new ATOM 0 HG23 THR A 38 -10.405 -0.361 -4.523 1.00 0.00 H new ATOM 558 N CYS A 39 -6.716 -0.380 -1.037 1.00 0.00 N ATOM 559 CA CYS A 39 -5.936 0.240 0.025 1.00 0.00 C ATOM 560 C CYS A 39 -6.029 1.767 -0.038 1.00 0.00 C ATOM 561 O CYS A 39 -5.741 2.451 0.944 1.00 0.00 O ATOM 562 CB CYS A 39 -4.476 -0.210 -0.095 1.00 0.00 C ATOM 563 SG CYS A 39 -3.253 0.907 0.672 1.00 0.00 S ATOM 0 H CYS A 39 -6.197 -1.055 -1.599 1.00 0.00 H new ATOM 0 HA CYS A 39 -6.340 -0.075 0.987 1.00 0.00 H new ATOM 0 HB2 CYS A 39 -4.378 -1.196 0.359 1.00 0.00 H new ATOM 0 HB3 CYS A 39 -4.232 -0.319 -1.152 1.00 0.00 H new ATOM 568 N GLN A 40 -6.415 2.296 -1.198 1.00 0.00 N ATOM 569 CA GLN A 40 -6.525 3.738 -1.382 1.00 0.00 C ATOM 570 C GLN A 40 -5.140 4.367 -1.398 1.00 0.00 C ATOM 571 O GLN A 40 -4.336 4.136 -0.494 1.00 0.00 O ATOM 572 CB GLN A 40 -7.369 4.374 -0.275 1.00 0.00 C ATOM 573 CG GLN A 40 -8.704 4.912 -0.763 1.00 0.00 C ATOM 574 CD GLN A 40 -8.618 6.355 -1.218 1.00 0.00 C ATOM 575 OE1 GLN A 40 -8.309 6.635 -2.375 1.00 0.00 O ATOM 576 NE2 GLN A 40 -8.891 7.279 -0.305 1.00 0.00 N ATOM 0 H GLN A 40 -6.656 1.746 -2.023 1.00 0.00 H new ATOM 0 HA GLN A 40 -7.019 3.920 -2.336 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -7.548 3.634 0.505 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -6.803 5.187 0.180 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -9.061 4.295 -1.588 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -9.439 4.830 0.037 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -9.143 7.000 0.643 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -8.849 8.268 -0.552 1.00 0.00 H new ATOM 585 N SER A 41 -4.860 5.152 -2.427 1.00 0.00 N ATOM 586 CA SER A 41 -3.561 5.798 -2.542 1.00 0.00 C ATOM 587 C SER A 41 -3.276 6.657 -1.319 1.00 0.00 C ATOM 588 O SER A 41 -4.080 7.511 -0.944 1.00 0.00 O ATOM 589 CB SER A 41 -3.483 6.643 -3.816 1.00 0.00 C ATOM 590 OG SER A 41 -4.619 6.437 -4.639 1.00 0.00 O ATOM 0 H SER A 41 -5.508 5.356 -3.188 1.00 0.00 H new ATOM 0 HA SER A 41 -2.802 5.018 -2.601 1.00 0.00 H new ATOM 0 HB2 SER A 41 -3.409 7.698 -3.552 1.00 0.00 H new ATOM 0 HB3 SER A 41 -2.579 6.389 -4.369 1.00 0.00 H new ATOM 0 HG SER A 41 -4.544 6.990 -5.445 1.00 0.00 H new ATOM 596 N TRP A 42 -2.123 6.426 -0.704 1.00 0.00 N ATOM 597 CA TRP A 42 -1.718 7.177 0.479 1.00 0.00 C ATOM 598 C TRP A 42 -1.729 8.679 0.201 1.00 0.00 C ATOM 599 O TRP A 42 -1.722 9.491 1.126 1.00 0.00 O ATOM 600 CB TRP A 42 -0.323 6.739 0.937 1.00 0.00 C ATOM 601 CG TRP A 42 -0.120 5.252 0.901 1.00 0.00 C ATOM 602 CD1 TRP A 42 0.359 4.513 -0.143 1.00 0.00 C ATOM 603 CD2 TRP A 42 -0.388 4.323 1.958 1.00 0.00 C ATOM 604 NE1 TRP A 42 0.398 3.182 0.197 1.00 0.00 N ATOM 605 CE2 TRP A 42 -0.052 3.041 1.484 1.00 0.00 C ATOM 606 CE3 TRP A 42 -0.880 4.452 3.260 1.00 0.00 C ATOM 607 CZ2 TRP A 42 -0.194 1.897 2.265 1.00 0.00 C ATOM 608 CZ3 TRP A 42 -1.019 3.315 4.035 1.00 0.00 C ATOM 609 CH2 TRP A 42 -0.676 2.053 3.535 1.00 0.00 C ATOM 0 H TRP A 42 -1.449 5.722 -1.006 1.00 0.00 H new ATOM 0 HA TRP A 42 -2.434 6.968 1.274 1.00 0.00 H new ATOM 0 HB2 TRP A 42 0.425 7.215 0.303 1.00 0.00 H new ATOM 0 HB3 TRP A 42 -0.154 7.096 1.953 1.00 0.00 H new ATOM 0 HD1 TRP A 42 0.663 4.916 -1.098 1.00 0.00 H new ATOM 0 HE1 TRP A 42 0.711 2.423 -0.409 1.00 0.00 H new ATOM 0 HE3 TRP A 42 -1.147 5.422 3.654 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 0.067 0.922 1.881 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 -1.398 3.402 5.042 1.00 0.00 H new ATOM 0 HH2 TRP A 42 -0.795 1.184 4.166 1.00 0.00 H new ATOM 620 N SER A 43 -1.748 9.041 -1.080 1.00 0.00 N ATOM 621 CA SER A 43 -1.760 10.442 -1.482 1.00 0.00 C ATOM 622 C SER A 43 -3.174 10.907 -1.818 1.00 0.00 C ATOM 623 O SER A 43 -3.458 12.106 -1.812 1.00 0.00 O ATOM 624 CB SER A 43 -0.845 10.653 -2.688 1.00 0.00 C ATOM 625 OG SER A 43 -0.109 11.857 -2.568 1.00 0.00 O ATOM 0 H SER A 43 -1.755 8.381 -1.857 1.00 0.00 H new ATOM 0 HA SER A 43 -1.394 11.035 -0.643 1.00 0.00 H new ATOM 0 HB2 SER A 43 -0.158 9.811 -2.778 1.00 0.00 H new ATOM 0 HB3 SER A 43 -1.441 10.677 -3.600 1.00 0.00 H new ATOM 0 HG SER A 43 0.469 11.966 -3.352 1.00 0.00 H new ATOM 631 N SER A 44 -4.061 9.959 -2.112 1.00 0.00 N ATOM 632 CA SER A 44 -5.441 10.289 -2.449 1.00 0.00 C ATOM 633 C SER A 44 -6.245 10.573 -1.186 1.00 0.00 C ATOM 634 O SER A 44 -7.055 9.754 -0.755 1.00 0.00 O ATOM 635 CB SER A 44 -6.085 9.146 -3.235 1.00 0.00 C ATOM 636 OG SER A 44 -5.707 9.191 -4.601 1.00 0.00 O ATOM 0 H SER A 44 -3.849 8.961 -2.123 1.00 0.00 H new ATOM 0 HA SER A 44 -5.438 11.185 -3.070 1.00 0.00 H new ATOM 0 HB2 SER A 44 -5.788 8.190 -2.803 1.00 0.00 H new ATOM 0 HB3 SER A 44 -7.170 9.209 -3.152 1.00 0.00 H new ATOM 0 HG SER A 44 -6.130 8.449 -5.082 1.00 0.00 H new ATOM 642 N MET A 45 -6.013 11.740 -0.595 1.00 0.00 N ATOM 643 CA MET A 45 -6.710 12.132 0.623 1.00 0.00 C ATOM 644 C MET A 45 -8.010 12.853 0.294 1.00 0.00 C ATOM 645 O MET A 45 -8.006 14.015 -0.111 1.00 0.00 O ATOM 646 CB MET A 45 -5.817 13.031 1.482 1.00 0.00 C ATOM 647 CG MET A 45 -4.384 12.539 1.587 1.00 0.00 C ATOM 648 SD MET A 45 -3.466 13.348 2.911 1.00 0.00 S ATOM 649 CE MET A 45 -2.536 11.966 3.568 1.00 0.00 C ATOM 0 H MET A 45 -5.347 12.431 -0.941 1.00 0.00 H new ATOM 0 HA MET A 45 -6.947 11.228 1.184 1.00 0.00 H new ATOM 0 HB2 MET A 45 -5.817 14.037 1.063 1.00 0.00 H new ATOM 0 HB3 MET A 45 -6.243 13.102 2.483 1.00 0.00 H new ATOM 0 HG2 MET A 45 -4.385 11.462 1.757 1.00 0.00 H new ATOM 0 HG3 MET A 45 -3.874 12.712 0.639 1.00 0.00 H new ATOM 0 HE1 MET A 45 -1.584 12.322 3.961 1.00 0.00 H new ATOM 0 HE2 MET A 45 -3.105 11.492 4.368 1.00 0.00 H new ATOM 0 HE3 MET A 45 -2.353 11.241 2.775 1.00 0.00 H new ATOM 659 N THR A 46 -9.122 12.151 0.477 1.00 0.00 N ATOM 660 CA THR A 46 -10.436 12.715 0.204 1.00 0.00 C ATOM 661 C THR A 46 -11.497 12.091 1.117 1.00 0.00 C ATOM 662 O THR A 46 -12.046 12.770 1.984 1.00 0.00 O ATOM 663 CB THR A 46 -10.795 12.533 -1.278 1.00 0.00 C ATOM 664 OG1 THR A 46 -10.096 13.474 -2.073 1.00 0.00 O ATOM 665 CG2 THR A 46 -12.271 12.690 -1.576 1.00 0.00 C ATOM 0 H THR A 46 -9.139 11.188 0.814 1.00 0.00 H new ATOM 0 HA THR A 46 -10.409 13.784 0.417 1.00 0.00 H new ATOM 0 HB THR A 46 -10.509 11.509 -1.517 1.00 0.00 H new ATOM 0 HG1 THR A 46 -9.383 13.886 -1.542 1.00 0.00 H new ATOM 0 HG21 THR A 46 -12.444 12.547 -2.643 1.00 0.00 H new ATOM 0 HG22 THR A 46 -12.837 11.947 -1.014 1.00 0.00 H new ATOM 0 HG23 THR A 46 -12.596 13.689 -1.286 1.00 0.00 H new ATOM 673 N PRO A 47 -11.798 10.786 0.952 1.00 0.00 N ATOM 674 CA PRO A 47 -12.791 10.104 1.789 1.00 0.00 C ATOM 675 C PRO A 47 -12.281 9.888 3.208 1.00 0.00 C ATOM 676 O PRO A 47 -13.053 9.893 4.166 1.00 0.00 O ATOM 677 CB PRO A 47 -12.986 8.762 1.081 1.00 0.00 C ATOM 678 CG PRO A 47 -11.694 8.518 0.384 1.00 0.00 C ATOM 679 CD PRO A 47 -11.200 9.873 -0.044 1.00 0.00 C ATOM 0 HA PRO A 47 -13.710 10.680 1.895 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -13.210 7.967 1.792 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -13.816 8.802 0.376 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -10.978 8.031 1.046 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -11.831 7.862 -0.475 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -10.111 9.925 -0.034 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -11.522 10.117 -1.057 1.00 0.00 H new ATOM 687 N HIS A 48 -10.971 9.697 3.331 1.00 0.00 N ATOM 688 CA HIS A 48 -10.342 9.478 4.627 1.00 0.00 C ATOM 689 C HIS A 48 -8.847 9.772 4.555 1.00 0.00 C ATOM 690 O HIS A 48 -8.141 9.235 3.702 1.00 0.00 O ATOM 691 CB HIS A 48 -10.569 8.038 5.089 1.00 0.00 C ATOM 692 CG HIS A 48 -10.375 7.021 4.005 1.00 0.00 C ATOM 693 ND1 HIS A 48 -11.422 6.377 3.383 1.00 0.00 N ATOM 694 CD2 HIS A 48 -9.246 6.543 3.429 1.00 0.00 C ATOM 695 CE1 HIS A 48 -10.946 5.545 2.472 1.00 0.00 C ATOM 696 NE2 HIS A 48 -9.629 5.627 2.480 1.00 0.00 N ATOM 0 H HIS A 48 -10.322 9.690 2.544 1.00 0.00 H new ATOM 0 HA HIS A 48 -10.796 10.158 5.348 1.00 0.00 H new ATOM 0 HB2 HIS A 48 -9.886 7.817 5.909 1.00 0.00 H new ATOM 0 HB3 HIS A 48 -11.581 7.947 5.483 1.00 0.00 H new ATOM 0 HD1 HIS A 48 -12.410 6.520 3.592 1.00 0.00 H new ATOM 0 HD2 HIS A 48 -8.233 6.829 3.671 1.00 0.00 H new ATOM 0 HE1 HIS A 48 -11.535 4.907 1.830 1.00 0.00 H new ATOM 705 N TRP A 49 -8.367 10.629 5.453 1.00 0.00 N ATOM 706 CA TRP A 49 -6.952 10.989 5.484 1.00 0.00 C ATOM 707 C TRP A 49 -6.075 9.742 5.564 1.00 0.00 C ATOM 708 O TRP A 49 -6.423 8.769 6.233 1.00 0.00 O ATOM 709 CB TRP A 49 -6.659 11.914 6.669 1.00 0.00 C ATOM 710 CG TRP A 49 -6.357 13.323 6.259 1.00 0.00 C ATOM 711 CD1 TRP A 49 -7.261 14.316 6.012 1.00 0.00 C ATOM 712 CD2 TRP A 49 -5.062 13.900 6.045 1.00 0.00 C ATOM 713 NE1 TRP A 49 -6.611 15.471 5.660 1.00 0.00 N ATOM 714 CE2 TRP A 49 -5.262 15.243 5.674 1.00 0.00 C ATOM 715 CE3 TRP A 49 -3.754 13.414 6.135 1.00 0.00 C ATOM 716 CZ2 TRP A 49 -4.205 16.102 5.392 1.00 0.00 C ATOM 717 CZ3 TRP A 49 -2.704 14.270 5.853 1.00 0.00 C ATOM 718 CH2 TRP A 49 -2.937 15.602 5.486 1.00 0.00 C ATOM 0 H TRP A 49 -8.935 11.086 6.167 1.00 0.00 H new ATOM 0 HA TRP A 49 -6.719 11.517 4.559 1.00 0.00 H new ATOM 0 HB2 TRP A 49 -7.517 11.914 7.342 1.00 0.00 H new ATOM 0 HB3 TRP A 49 -5.813 11.517 7.231 1.00 0.00 H new ATOM 0 HD1 TRP A 49 -8.333 14.207 6.084 1.00 0.00 H new ATOM 0 HE1 TRP A 49 -7.060 16.356 5.426 1.00 0.00 H new ATOM 0 HE3 TRP A 49 -3.567 12.389 6.419 1.00 0.00 H new ATOM 0 HZ2 TRP A 49 -4.381 17.129 5.108 1.00 0.00 H new ATOM 0 HZ3 TRP A 49 -1.689 13.906 5.917 1.00 0.00 H new ATOM 0 HH2 TRP A 49 -2.097 16.247 5.273 1.00 0.00 H new ATOM 729 N HIS A 50 -4.943 9.777 4.870 1.00 0.00 N ATOM 730 CA HIS A 50 -4.023 8.647 4.857 1.00 0.00 C ATOM 731 C HIS A 50 -2.803 8.920 5.729 1.00 0.00 C ATOM 732 O HIS A 50 -2.501 10.068 6.053 1.00 0.00 O ATOM 733 CB HIS A 50 -3.580 8.344 3.426 1.00 0.00 C ATOM 734 CG HIS A 50 -4.718 8.071 2.494 1.00 0.00 C ATOM 735 ND1 HIS A 50 -5.645 7.075 2.712 1.00 0.00 N ATOM 736 CD2 HIS A 50 -5.077 8.669 1.333 1.00 0.00 C ATOM 737 CE1 HIS A 50 -6.523 7.071 1.727 1.00 0.00 C ATOM 738 NE2 HIS A 50 -6.201 8.029 0.877 1.00 0.00 N ATOM 0 H HIS A 50 -4.641 10.574 4.310 1.00 0.00 H new ATOM 0 HA HIS A 50 -4.548 7.782 5.263 1.00 0.00 H new ATOM 0 HB2 HIS A 50 -3.004 9.188 3.046 1.00 0.00 H new ATOM 0 HB3 HIS A 50 -2.914 7.482 3.435 1.00 0.00 H new ATOM 0 HD1 HIS A 50 -5.651 6.440 3.510 1.00 0.00 H new ATOM 0 HD2 HIS A 50 -4.572 9.496 0.855 1.00 0.00 H new ATOM 0 HE1 HIS A 50 -7.363 6.398 1.632 1.00 0.00 H new ATOM 0 HE2 HIS A 50 -6.706 8.256 0.020 1.00 0.00 H new ATOM 747 N ARG A 51 -2.102 7.854 6.098 1.00 0.00 N ATOM 748 CA ARG A 51 -0.907 7.970 6.923 1.00 0.00 C ATOM 749 C ARG A 51 0.154 8.793 6.201 1.00 0.00 C ATOM 750 O ARG A 51 -0.171 9.626 5.356 1.00 0.00 O ATOM 751 CB ARG A 51 -0.368 6.575 7.268 1.00 0.00 C ATOM 752 CG ARG A 51 0.299 5.867 6.089 1.00 0.00 C ATOM 753 CD ARG A 51 1.367 4.869 6.530 1.00 0.00 C ATOM 754 NE ARG A 51 2.053 5.271 7.759 1.00 0.00 N ATOM 755 CZ ARG A 51 2.502 4.415 8.676 1.00 0.00 C ATOM 756 NH1 ARG A 51 2.357 3.107 8.507 1.00 0.00 N ATOM 757 NH2 ARG A 51 3.107 4.871 9.765 1.00 0.00 N ATOM 0 H ARG A 51 -2.342 6.897 5.838 1.00 0.00 H new ATOM 0 HA ARG A 51 -1.165 8.481 7.851 1.00 0.00 H new ATOM 0 HB2 ARG A 51 0.352 6.664 8.082 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -1.189 5.958 7.634 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -0.461 5.346 5.506 1.00 0.00 H new ATOM 0 HG3 ARG A 51 0.751 6.610 5.432 1.00 0.00 H new ATOM 0 HD2 ARG A 51 0.905 3.894 6.681 1.00 0.00 H new ATOM 0 HD3 ARG A 51 2.101 4.754 5.732 1.00 0.00 H new ATOM 0 HE ARG A 51 2.196 6.267 7.923 1.00 0.00 H new ATOM 0 HH11 ARG A 51 1.898 2.749 7.669 1.00 0.00 H new ATOM 0 HH12 ARG A 51 2.704 2.460 9.215 1.00 0.00 H new ATOM 0 HH21 ARG A 51 3.228 5.875 9.899 1.00 0.00 H new ATOM 0 HH22 ARG A 51 3.452 4.218 10.468 1.00 0.00 H new ATOM 771 N ARG A 52 1.426 8.549 6.522 1.00 0.00 N ATOM 772 CA ARG A 52 2.520 9.263 5.879 1.00 0.00 C ATOM 773 C ARG A 52 2.317 9.275 4.368 1.00 0.00 C ATOM 774 O ARG A 52 1.455 8.566 3.846 1.00 0.00 O ATOM 775 CB ARG A 52 3.862 8.613 6.227 1.00 0.00 C ATOM 776 CG ARG A 52 4.884 9.587 6.788 1.00 0.00 C ATOM 777 CD ARG A 52 4.876 9.588 8.308 1.00 0.00 C ATOM 778 NE ARG A 52 3.528 9.740 8.849 1.00 0.00 N ATOM 779 CZ ARG A 52 2.888 10.905 8.929 1.00 0.00 C ATOM 780 NH1 ARG A 52 3.470 12.020 8.505 1.00 0.00 N ATOM 781 NH2 ARG A 52 1.663 10.955 9.435 1.00 0.00 N ATOM 0 H ARG A 52 1.719 7.865 7.220 1.00 0.00 H new ATOM 0 HA ARG A 52 2.529 10.290 6.244 1.00 0.00 H new ATOM 0 HB2 ARG A 52 3.693 7.818 6.954 1.00 0.00 H new ATOM 0 HB3 ARG A 52 4.272 8.145 5.332 1.00 0.00 H new ATOM 0 HG2 ARG A 52 5.878 9.320 6.428 1.00 0.00 H new ATOM 0 HG3 ARG A 52 4.671 10.591 6.421 1.00 0.00 H new ATOM 0 HD2 ARG A 52 5.310 8.657 8.673 1.00 0.00 H new ATOM 0 HD3 ARG A 52 5.507 10.399 8.673 1.00 0.00 H new ATOM 0 HE ARG A 52 3.049 8.905 9.185 1.00 0.00 H new ATOM 0 HH11 ARG A 52 4.412 11.987 8.115 1.00 0.00 H new ATOM 0 HH12 ARG A 52 2.975 12.910 8.569 1.00 0.00 H new ATOM 0 HH21 ARG A 52 1.211 10.101 9.763 1.00 0.00 H new ATOM 0 HH22 ARG A 52 1.173 11.847 9.496 1.00 0.00 H new ATOM 795 N ILE A 53 3.098 10.078 3.668 1.00 0.00 N ATOM 796 CA ILE A 53 2.970 10.166 2.223 1.00 0.00 C ATOM 797 C ILE A 53 4.261 10.612 1.567 1.00 0.00 C ATOM 798 O ILE A 53 5.154 11.147 2.221 1.00 0.00 O ATOM 799 CB ILE A 53 1.842 11.130 1.807 1.00 0.00 C ATOM 800 CG1 ILE A 53 2.095 12.536 2.351 1.00 0.00 C ATOM 801 CG2 ILE A 53 0.507 10.595 2.280 1.00 0.00 C ATOM 802 CD1 ILE A 53 1.646 13.635 1.414 1.00 0.00 C ATOM 0 H ILE A 53 3.821 10.674 4.071 1.00 0.00 H new ATOM 0 HA ILE A 53 2.726 9.160 1.882 1.00 0.00 H new ATOM 0 HB ILE A 53 1.824 11.199 0.719 1.00 0.00 H new ATOM 0 HG12 ILE A 53 1.577 12.647 3.303 1.00 0.00 H new ATOM 0 HG13 ILE A 53 3.160 12.653 2.552 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -0.286 11.281 1.983 1.00 0.00 H new ATOM 0 HG22 ILE A 53 0.328 9.617 1.833 1.00 0.00 H new ATOM 0 HG23 ILE A 53 0.517 10.501 3.366 1.00 0.00 H new ATOM 0 HD11 ILE A 53 1.856 14.605 1.864 1.00 0.00 H new ATOM 0 HD12 ILE A 53 2.183 13.549 0.469 1.00 0.00 H new ATOM 0 HD13 ILE A 53 0.575 13.543 1.232 1.00 0.00 H new ATOM 814 N PRO A 54 4.361 10.388 0.249 1.00 0.00 N ATOM 815 CA PRO A 54 5.533 10.757 -0.556 1.00 0.00 C ATOM 816 C PRO A 54 5.861 12.248 -0.480 1.00 0.00 C ATOM 817 O PRO A 54 5.806 12.958 -1.486 1.00 0.00 O ATOM 818 CB PRO A 54 5.092 10.385 -1.979 1.00 0.00 C ATOM 819 CG PRO A 54 3.611 10.363 -1.905 1.00 0.00 C ATOM 820 CD PRO A 54 3.328 9.749 -0.583 1.00 0.00 C ATOM 0 HA PRO A 54 6.438 10.256 -0.214 1.00 0.00 H new ATOM 0 HB2 PRO A 54 5.444 11.114 -2.709 1.00 0.00 H new ATOM 0 HB3 PRO A 54 5.491 9.416 -2.279 1.00 0.00 H new ATOM 0 HG2 PRO A 54 3.193 11.367 -1.977 1.00 0.00 H new ATOM 0 HG3 PRO A 54 3.179 9.779 -2.717 1.00 0.00 H new ATOM 0 HD2 PRO A 54 2.320 9.971 -0.232 1.00 0.00 H new ATOM 0 HD3 PRO A 54 3.427 8.664 -0.602 1.00 0.00 H new ATOM 828 N LEU A 55 6.206 12.723 0.712 1.00 0.00 N ATOM 829 CA LEU A 55 6.540 14.127 0.904 1.00 0.00 C ATOM 830 C LEU A 55 7.490 14.311 2.084 1.00 0.00 C ATOM 831 O LEU A 55 8.482 15.034 1.988 1.00 0.00 O ATOM 832 CB LEU A 55 5.270 14.948 1.122 1.00 0.00 C ATOM 833 CG LEU A 55 5.504 16.427 1.444 1.00 0.00 C ATOM 834 CD1 LEU A 55 4.739 17.316 0.475 1.00 0.00 C ATOM 835 CD2 LEU A 55 5.102 16.730 2.881 1.00 0.00 C ATOM 0 H LEU A 55 6.261 12.156 1.558 1.00 0.00 H new ATOM 0 HA LEU A 55 7.043 14.479 0.003 1.00 0.00 H new ATOM 0 HB2 LEU A 55 4.653 14.880 0.226 1.00 0.00 H new ATOM 0 HB3 LEU A 55 4.701 14.500 1.936 1.00 0.00 H new ATOM 0 HG LEU A 55 6.568 16.638 1.332 1.00 0.00 H new ATOM 0 HD11 LEU A 55 4.919 18.362 0.722 1.00 0.00 H new ATOM 0 HD12 LEU A 55 5.076 17.120 -0.543 1.00 0.00 H new ATOM 0 HD13 LEU A 55 3.673 17.104 0.551 1.00 0.00 H new ATOM 0 HD21 LEU A 55 5.275 17.785 3.092 1.00 0.00 H new ATOM 0 HD22 LEU A 55 4.045 16.501 3.019 1.00 0.00 H new ATOM 0 HD23 LEU A 55 5.697 16.121 3.561 1.00 0.00 H new ATOM 847 N TYR A 56 7.182 13.653 3.197 1.00 0.00 N ATOM 848 CA TYR A 56 8.011 13.746 4.394 1.00 0.00 C ATOM 849 C TYR A 56 9.216 12.820 4.285 1.00 0.00 C ATOM 850 O TYR A 56 10.350 13.225 4.546 1.00 0.00 O ATOM 851 CB TYR A 56 7.200 13.399 5.648 1.00 0.00 C ATOM 852 CG TYR A 56 5.719 13.679 5.517 1.00 0.00 C ATOM 853 CD1 TYR A 56 5.195 14.930 5.823 1.00 0.00 C ATOM 854 CD2 TYR A 56 4.846 12.693 5.080 1.00 0.00 C ATOM 855 CE1 TYR A 56 3.844 15.186 5.698 1.00 0.00 C ATOM 856 CE2 TYR A 56 3.496 12.942 4.953 1.00 0.00 C ATOM 857 CZ TYR A 56 2.998 14.189 5.263 1.00 0.00 C ATOM 858 OH TYR A 56 1.651 14.439 5.137 1.00 0.00 O ATOM 0 H TYR A 56 6.365 13.050 3.295 1.00 0.00 H new ATOM 0 HA TYR A 56 8.362 14.774 4.479 1.00 0.00 H new ATOM 0 HB2 TYR A 56 7.341 12.343 5.879 1.00 0.00 H new ATOM 0 HB3 TYR A 56 7.594 13.966 6.492 1.00 0.00 H new ATOM 0 HD1 TYR A 56 5.855 15.714 6.164 1.00 0.00 H new ATOM 0 HD2 TYR A 56 5.231 11.714 4.835 1.00 0.00 H new ATOM 0 HE1 TYR A 56 3.452 16.163 5.940 1.00 0.00 H new ATOM 0 HE2 TYR A 56 2.831 12.162 4.612 1.00 0.00 H new ATOM 0 HH TYR A 56 1.513 15.385 4.920 1.00 0.00 H new ATOM 868 N TYR A 57 8.964 11.577 3.890 1.00 0.00 N ATOM 869 CA TYR A 57 10.032 10.596 3.738 1.00 0.00 C ATOM 870 C TYR A 57 10.656 10.703 2.349 1.00 0.00 C ATOM 871 O TYR A 57 10.041 11.241 1.428 1.00 0.00 O ATOM 872 CB TYR A 57 9.492 9.181 3.966 1.00 0.00 C ATOM 873 CG TYR A 57 8.273 8.850 3.135 1.00 0.00 C ATOM 874 CD1 TYR A 57 8.390 8.559 1.783 1.00 0.00 C ATOM 875 CD2 TYR A 57 7.007 8.823 3.705 1.00 0.00 C ATOM 876 CE1 TYR A 57 7.279 8.252 1.020 1.00 0.00 C ATOM 877 CE2 TYR A 57 5.891 8.515 2.950 1.00 0.00 C ATOM 878 CZ TYR A 57 6.032 8.230 1.610 1.00 0.00 C ATOM 879 OH TYR A 57 4.925 7.922 0.855 1.00 0.00 O ATOM 0 H TYR A 57 8.032 11.226 3.670 1.00 0.00 H new ATOM 0 HA TYR A 57 10.800 10.802 4.484 1.00 0.00 H new ATOM 0 HB2 TYR A 57 10.279 8.461 3.741 1.00 0.00 H new ATOM 0 HB3 TYR A 57 9.244 9.063 5.021 1.00 0.00 H new ATOM 0 HD1 TYR A 57 9.365 8.573 1.319 1.00 0.00 H new ATOM 0 HD2 TYR A 57 6.893 9.046 4.755 1.00 0.00 H new ATOM 0 HE1 TYR A 57 7.386 8.031 -0.032 1.00 0.00 H new ATOM 0 HE2 TYR A 57 4.913 8.498 3.409 1.00 0.00 H new ATOM 0 HH TYR A 57 4.253 7.489 1.421 1.00 0.00 H new ATOM 889 N PRO A 58 11.891 10.202 2.176 1.00 0.00 N ATOM 890 CA PRO A 58 12.591 10.257 0.885 1.00 0.00 C ATOM 891 C PRO A 58 11.958 9.351 -0.169 1.00 0.00 C ATOM 892 O PRO A 58 12.635 8.516 -0.769 1.00 0.00 O ATOM 893 CB PRO A 58 14.005 9.777 1.225 1.00 0.00 C ATOM 894 CG PRO A 58 13.836 8.935 2.442 1.00 0.00 C ATOM 895 CD PRO A 58 12.708 9.551 3.219 1.00 0.00 C ATOM 0 HA PRO A 58 12.557 11.256 0.451 1.00 0.00 H new ATOM 0 HB2 PRO A 58 14.437 9.204 0.404 1.00 0.00 H new ATOM 0 HB3 PRO A 58 14.674 10.617 1.414 1.00 0.00 H new ATOM 0 HG2 PRO A 58 13.607 7.903 2.174 1.00 0.00 H new ATOM 0 HG3 PRO A 58 14.752 8.915 3.033 1.00 0.00 H new ATOM 0 HD2 PRO A 58 12.138 8.799 3.765 1.00 0.00 H new ATOM 0 HD3 PRO A 58 13.071 10.271 3.953 1.00 0.00 H new ATOM 903 N ASN A 59 10.654 9.530 -0.396 1.00 0.00 N ATOM 904 CA ASN A 59 9.916 8.741 -1.382 1.00 0.00 C ATOM 905 C ASN A 59 10.366 7.280 -1.395 1.00 0.00 C ATOM 906 O ASN A 59 11.210 6.889 -2.203 1.00 0.00 O ATOM 907 CB ASN A 59 10.080 9.356 -2.775 1.00 0.00 C ATOM 908 CG ASN A 59 9.116 10.504 -3.015 1.00 0.00 C ATOM 909 OD1 ASN A 59 8.346 10.491 -3.975 1.00 0.00 O ATOM 910 ND2 ASN A 59 9.158 11.506 -2.142 1.00 0.00 N ATOM 0 H ASN A 59 10.085 10.220 0.095 1.00 0.00 H new ATOM 0 HA ASN A 59 8.864 8.758 -1.099 1.00 0.00 H new ATOM 0 HB2 ASN A 59 11.103 9.713 -2.894 1.00 0.00 H new ATOM 0 HB3 ASN A 59 9.921 8.587 -3.530 1.00 0.00 H new ATOM 0 HD21 ASN A 59 8.535 12.306 -2.254 1.00 0.00 H new ATOM 0 HD22 ASN A 59 9.813 11.474 -1.361 1.00 0.00 H new ATOM 917 N ALA A 60 9.798 6.482 -0.498 1.00 0.00 N ATOM 918 CA ALA A 60 10.140 5.067 -0.407 1.00 0.00 C ATOM 919 C ALA A 60 9.861 4.351 -1.723 1.00 0.00 C ATOM 920 O ALA A 60 10.783 3.987 -2.453 1.00 0.00 O ATOM 921 CB ALA A 60 9.371 4.409 0.728 1.00 0.00 C ATOM 0 H ALA A 60 9.098 6.791 0.177 1.00 0.00 H new ATOM 0 HA ALA A 60 11.207 4.989 -0.199 1.00 0.00 H new ATOM 0 HB1 ALA A 60 9.637 3.353 0.783 1.00 0.00 H new ATOM 0 HB2 ALA A 60 9.624 4.897 1.669 1.00 0.00 H new ATOM 0 HB3 ALA A 60 8.301 4.505 0.546 1.00 0.00 H new ATOM 927 N GLY A 61 8.581 4.152 -2.023 1.00 0.00 N ATOM 928 CA GLY A 61 8.203 3.479 -3.252 1.00 0.00 C ATOM 929 C GLY A 61 6.757 3.028 -3.248 1.00 0.00 C ATOM 930 O GLY A 61 6.440 1.930 -3.707 1.00 0.00 O ATOM 0 H GLY A 61 7.799 4.445 -1.437 1.00 0.00 H new ATOM 0 HA2 GLY A 61 8.368 4.150 -4.095 1.00 0.00 H new ATOM 0 HA3 GLY A 61 8.849 2.614 -3.402 1.00 0.00 H new ATOM 934 N LEU A 62 5.874 3.877 -2.731 1.00 0.00 N ATOM 935 CA LEU A 62 4.453 3.558 -2.675 1.00 0.00 C ATOM 936 C LEU A 62 3.878 3.423 -4.082 1.00 0.00 C ATOM 937 O LEU A 62 3.973 4.345 -4.892 1.00 0.00 O ATOM 938 CB LEU A 62 3.697 4.636 -1.898 1.00 0.00 C ATOM 939 CG LEU A 62 3.930 4.630 -0.384 1.00 0.00 C ATOM 940 CD1 LEU A 62 3.678 3.243 0.191 1.00 0.00 C ATOM 941 CD2 LEU A 62 5.342 5.095 -0.061 1.00 0.00 C ATOM 0 H LEU A 62 6.118 4.789 -2.346 1.00 0.00 H new ATOM 0 HA LEU A 62 4.335 2.605 -2.159 1.00 0.00 H new ATOM 0 HB2 LEU A 62 3.983 5.612 -2.290 1.00 0.00 H new ATOM 0 HB3 LEU A 62 2.630 4.517 -2.086 1.00 0.00 H new ATOM 0 HG LEU A 62 3.226 5.324 0.075 1.00 0.00 H new ATOM 0 HD11 LEU A 62 3.849 3.259 1.267 1.00 0.00 H new ATOM 0 HD12 LEU A 62 2.648 2.948 -0.009 1.00 0.00 H new ATOM 0 HD13 LEU A 62 4.357 2.528 -0.273 1.00 0.00 H new ATOM 0 HD21 LEU A 62 5.490 5.085 1.019 1.00 0.00 H new ATOM 0 HD22 LEU A 62 6.062 4.426 -0.533 1.00 0.00 H new ATOM 0 HD23 LEU A 62 5.487 6.108 -0.437 1.00 0.00 H new ATOM 953 N THR A 63 3.287 2.268 -4.366 1.00 0.00 N ATOM 954 CA THR A 63 2.703 2.011 -5.678 1.00 0.00 C ATOM 955 C THR A 63 1.327 2.664 -5.802 1.00 0.00 C ATOM 956 O THR A 63 0.321 1.985 -6.012 1.00 0.00 O ATOM 957 CB THR A 63 2.605 0.503 -5.928 1.00 0.00 C ATOM 958 OG1 THR A 63 2.952 -0.226 -4.763 1.00 0.00 O ATOM 959 CG2 THR A 63 3.502 0.024 -7.049 1.00 0.00 C ATOM 0 H THR A 63 3.199 1.495 -3.706 1.00 0.00 H new ATOM 0 HA THR A 63 3.354 2.451 -6.434 1.00 0.00 H new ATOM 0 HB THR A 63 1.567 0.326 -6.210 1.00 0.00 H new ATOM 0 HG1 THR A 63 3.907 -0.111 -4.577 1.00 0.00 H new ATOM 0 HG21 THR A 63 3.385 -1.052 -7.174 1.00 0.00 H new ATOM 0 HG22 THR A 63 3.228 0.529 -7.975 1.00 0.00 H new ATOM 0 HG23 THR A 63 4.540 0.250 -6.806 1.00 0.00 H new ATOM 967 N ARG A 64 1.292 3.985 -5.671 1.00 0.00 N ATOM 968 CA ARG A 64 0.047 4.733 -5.771 1.00 0.00 C ATOM 969 C ARG A 64 -0.930 4.320 -4.674 1.00 0.00 C ATOM 970 O ARG A 64 -1.025 4.978 -3.641 1.00 0.00 O ATOM 971 CB ARG A 64 -0.588 4.532 -7.150 1.00 0.00 C ATOM 972 CG ARG A 64 0.181 5.202 -8.277 1.00 0.00 C ATOM 973 CD ARG A 64 1.082 4.214 -9.002 1.00 0.00 C ATOM 974 NE ARG A 64 0.321 3.312 -9.864 1.00 0.00 N ATOM 975 CZ ARG A 64 -0.295 3.694 -10.978 1.00 0.00 C ATOM 976 NH1 ARG A 64 -0.246 4.962 -11.372 1.00 0.00 N ATOM 977 NH2 ARG A 64 -0.964 2.809 -11.704 1.00 0.00 N ATOM 0 H ARG A 64 2.115 4.561 -5.495 1.00 0.00 H new ATOM 0 HA ARG A 64 0.278 5.790 -5.641 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -0.660 3.464 -7.355 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -1.605 4.923 -7.133 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -0.520 5.644 -8.985 1.00 0.00 H new ATOM 0 HG3 ARG A 64 0.783 6.017 -7.874 1.00 0.00 H new ATOM 0 HD2 ARG A 64 1.811 4.760 -9.601 1.00 0.00 H new ATOM 0 HD3 ARG A 64 1.643 3.631 -8.272 1.00 0.00 H new ATOM 0 HE ARG A 64 0.259 2.330 -9.594 1.00 0.00 H new ATOM 0 HH11 ARG A 64 0.267 5.649 -10.819 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -0.721 5.249 -12.228 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -1.006 1.834 -11.408 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -1.436 3.103 -12.559 1.00 0.00 H new ATOM 991 N ASN A 65 -1.654 3.226 -4.904 1.00 0.00 N ATOM 992 CA ASN A 65 -2.624 2.729 -3.937 1.00 0.00 C ATOM 993 C ASN A 65 -2.602 1.204 -3.885 1.00 0.00 C ATOM 994 O ASN A 65 -3.648 0.557 -3.902 1.00 0.00 O ATOM 995 CB ASN A 65 -4.028 3.219 -4.301 1.00 0.00 C ATOM 996 CG ASN A 65 -4.548 2.597 -5.585 1.00 0.00 C ATOM 997 OD1 ASN A 65 -5.440 1.623 -5.451 1.00 0.00 O flip ATOM 998 ND2 ASN A 65 -4.153 2.990 -6.681 1.00 0.00 N flip ATOM 0 H ASN A 65 -1.585 2.667 -5.755 1.00 0.00 H new ATOM 0 HA ASN A 65 -2.355 3.113 -2.953 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -4.713 2.987 -3.486 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -4.014 4.304 -4.406 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -3.466 3.742 -6.736 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -4.512 2.564 -7.535 1.00 0.00 H new ATOM 1005 N TYR A 66 -1.403 0.639 -3.832 1.00 0.00 N ATOM 1006 CA TYR A 66 -1.247 -0.808 -3.794 1.00 0.00 C ATOM 1007 C TYR A 66 -1.225 -1.337 -2.364 1.00 0.00 C ATOM 1008 O TYR A 66 -0.237 -1.172 -1.649 1.00 0.00 O ATOM 1009 CB TYR A 66 0.033 -1.222 -4.520 1.00 0.00 C ATOM 1010 CG TYR A 66 -0.167 -1.507 -5.992 1.00 0.00 C ATOM 1011 CD1 TYR A 66 -1.051 -0.754 -6.754 1.00 0.00 C ATOM 1012 CD2 TYR A 66 0.531 -2.532 -6.621 1.00 0.00 C ATOM 1013 CE1 TYR A 66 -1.236 -1.014 -8.099 1.00 0.00 C ATOM 1014 CE2 TYR A 66 0.352 -2.797 -7.965 1.00 0.00 C ATOM 1015 CZ TYR A 66 -0.532 -2.036 -8.699 1.00 0.00 C ATOM 1016 OH TYR A 66 -0.712 -2.296 -10.037 1.00 0.00 O ATOM 0 H TYR A 66 -0.526 1.160 -3.814 1.00 0.00 H new ATOM 0 HA TYR A 66 -2.109 -1.243 -4.300 1.00 0.00 H new ATOM 0 HB2 TYR A 66 0.775 -0.431 -4.410 1.00 0.00 H new ATOM 0 HB3 TYR A 66 0.441 -2.111 -4.039 1.00 0.00 H new ATOM 0 HD1 TYR A 66 -1.603 0.048 -6.288 1.00 0.00 H new ATOM 0 HD2 TYR A 66 1.225 -3.131 -6.049 1.00 0.00 H new ATOM 0 HE1 TYR A 66 -1.928 -0.420 -8.677 1.00 0.00 H new ATOM 0 HE2 TYR A 66 0.902 -3.597 -8.438 1.00 0.00 H new ATOM 0 HH TYR A 66 -0.141 -3.046 -10.304 1.00 0.00 H new ATOM 1026 N CYS A 67 -2.317 -1.985 -1.959 1.00 0.00 N ATOM 1027 CA CYS A 67 -2.426 -2.560 -0.616 1.00 0.00 C ATOM 1028 C CYS A 67 -1.125 -3.248 -0.204 1.00 0.00 C ATOM 1029 O CYS A 67 -0.609 -4.108 -0.919 1.00 0.00 O ATOM 1030 CB CYS A 67 -3.590 -3.555 -0.572 1.00 0.00 C ATOM 1031 SG CYS A 67 -3.696 -4.536 0.963 1.00 0.00 S ATOM 0 H CYS A 67 -3.142 -2.126 -2.543 1.00 0.00 H new ATOM 0 HA CYS A 67 -2.616 -1.752 0.091 1.00 0.00 H new ATOM 0 HB2 CYS A 67 -4.523 -3.007 -0.702 1.00 0.00 H new ATOM 0 HB3 CYS A 67 -3.500 -4.237 -1.418 1.00 0.00 H new ATOM 1036 N ARG A 68 -0.601 -2.852 0.952 1.00 0.00 N ATOM 1037 CA ARG A 68 0.643 -3.410 1.474 1.00 0.00 C ATOM 1038 C ARG A 68 1.046 -2.705 2.765 1.00 0.00 C ATOM 1039 O ARG A 68 0.365 -1.785 3.217 1.00 0.00 O ATOM 1040 CB ARG A 68 1.766 -3.274 0.441 1.00 0.00 C ATOM 1041 CG ARG A 68 2.005 -1.844 -0.016 1.00 0.00 C ATOM 1042 CD ARG A 68 2.403 -1.784 -1.483 1.00 0.00 C ATOM 1043 NE ARG A 68 3.854 -1.746 -1.654 1.00 0.00 N ATOM 1044 CZ ARG A 68 4.477 -2.091 -2.778 1.00 0.00 C ATOM 1045 NH1 ARG A 68 3.784 -2.496 -3.834 1.00 0.00 N ATOM 1046 NH2 ARG A 68 5.801 -2.027 -2.846 1.00 0.00 N ATOM 0 H ARG A 68 -1.022 -2.141 1.550 1.00 0.00 H new ATOM 0 HA ARG A 68 0.479 -4.467 1.684 1.00 0.00 H new ATOM 0 HB2 ARG A 68 2.689 -3.669 0.866 1.00 0.00 H new ATOM 0 HB3 ARG A 68 1.526 -3.888 -0.427 1.00 0.00 H new ATOM 0 HG2 ARG A 68 1.101 -1.255 0.141 1.00 0.00 H new ATOM 0 HG3 ARG A 68 2.789 -1.393 0.593 1.00 0.00 H new ATOM 0 HD2 ARG A 68 1.999 -2.652 -2.004 1.00 0.00 H new ATOM 0 HD3 ARG A 68 1.960 -0.901 -1.943 1.00 0.00 H new ATOM 0 HE ARG A 68 4.422 -1.437 -0.865 1.00 0.00 H new ATOM 0 HH11 ARG A 68 2.766 -2.545 -3.788 1.00 0.00 H new ATOM 0 HH12 ARG A 68 4.269 -2.759 -4.692 1.00 0.00 H new ATOM 0 HH21 ARG A 68 6.339 -1.714 -2.038 1.00 0.00 H new ATOM 0 HH22 ARG A 68 6.281 -2.291 -3.707 1.00 0.00 H new ATOM 1060 N ASN A 69 2.159 -3.135 3.351 1.00 0.00 N ATOM 1061 CA ASN A 69 2.650 -2.531 4.587 1.00 0.00 C ATOM 1062 C ASN A 69 4.074 -2.007 4.404 1.00 0.00 C ATOM 1063 O ASN A 69 4.950 -2.726 3.924 1.00 0.00 O ATOM 1064 CB ASN A 69 2.604 -3.539 5.738 1.00 0.00 C ATOM 1065 CG ASN A 69 3.146 -4.903 5.355 1.00 0.00 C ATOM 1066 OD1 ASN A 69 3.546 -5.130 4.213 1.00 0.00 O ATOM 1067 ND2 ASN A 69 3.160 -5.821 6.316 1.00 0.00 N ATOM 0 H ASN A 69 2.736 -3.896 2.993 1.00 0.00 H new ATOM 0 HA ASN A 69 1.999 -1.692 4.833 1.00 0.00 H new ATOM 0 HB2 ASN A 69 3.179 -3.149 6.578 1.00 0.00 H new ATOM 0 HB3 ASN A 69 1.574 -3.646 6.079 1.00 0.00 H new ATOM 0 HD21 ASN A 69 3.512 -6.758 6.121 1.00 0.00 H new ATOM 0 HD22 ASN A 69 2.818 -5.588 7.249 1.00 0.00 H new ATOM 1074 N PRO A 70 4.326 -0.740 4.784 1.00 0.00 N ATOM 1075 CA PRO A 70 5.652 -0.123 4.656 1.00 0.00 C ATOM 1076 C PRO A 70 6.729 -0.896 5.410 1.00 0.00 C ATOM 1077 O PRO A 70 7.815 -1.138 4.884 1.00 0.00 O ATOM 1078 CB PRO A 70 5.471 1.275 5.264 1.00 0.00 C ATOM 1079 CG PRO A 70 4.215 1.195 6.064 1.00 0.00 C ATOM 1080 CD PRO A 70 3.347 0.193 5.363 1.00 0.00 C ATOM 0 HA PRO A 70 5.986 -0.106 3.619 1.00 0.00 H new ATOM 0 HB2 PRO A 70 6.321 1.544 5.891 1.00 0.00 H new ATOM 0 HB3 PRO A 70 5.395 2.035 4.487 1.00 0.00 H new ATOM 0 HG2 PRO A 70 4.423 0.884 7.088 1.00 0.00 H new ATOM 0 HG3 PRO A 70 3.724 2.167 6.119 1.00 0.00 H new ATOM 0 HD2 PRO A 70 2.670 -0.309 6.054 1.00 0.00 H new ATOM 0 HD3 PRO A 70 2.730 0.660 4.595 1.00 0.00 H new ATOM 1088 N ASP A 71 6.424 -1.282 6.646 1.00 0.00 N ATOM 1089 CA ASP A 71 7.375 -2.027 7.465 1.00 0.00 C ATOM 1090 C ASP A 71 7.091 -3.534 7.394 1.00 0.00 C ATOM 1091 O ASP A 71 7.294 -4.150 6.347 1.00 0.00 O ATOM 1092 CB ASP A 71 7.348 -1.518 8.913 1.00 0.00 C ATOM 1093 CG ASP A 71 5.942 -1.249 9.419 1.00 0.00 C ATOM 1094 OD1 ASP A 71 5.440 -0.125 9.204 1.00 0.00 O ATOM 1095 OD2 ASP A 71 5.345 -2.161 10.028 1.00 0.00 O ATOM 0 H ASP A 71 5.531 -1.092 7.100 1.00 0.00 H new ATOM 0 HA ASP A 71 8.378 -1.863 7.071 1.00 0.00 H new ATOM 0 HB2 ASP A 71 7.827 -2.253 9.560 1.00 0.00 H new ATOM 0 HB3 ASP A 71 7.935 -0.602 8.982 1.00 0.00 H new ATOM 1100 N ALA A 72 6.630 -4.132 8.494 1.00 0.00 N ATOM 1101 CA ALA A 72 6.337 -5.560 8.512 1.00 0.00 C ATOM 1102 C ALA A 72 5.403 -5.921 9.663 1.00 0.00 C ATOM 1103 O ALA A 72 5.101 -5.086 10.515 1.00 0.00 O ATOM 1104 CB ALA A 72 7.629 -6.358 8.613 1.00 0.00 C ATOM 0 H ALA A 72 6.454 -3.651 9.376 1.00 0.00 H new ATOM 0 HA ALA A 72 5.832 -5.812 7.579 1.00 0.00 H new ATOM 0 HB1 ALA A 72 7.399 -7.423 8.626 1.00 0.00 H new ATOM 0 HB2 ALA A 72 8.263 -6.134 7.755 1.00 0.00 H new ATOM 0 HB3 ALA A 72 8.152 -6.089 9.531 1.00 0.00 H new ATOM 1110 N GLU A 73 4.950 -7.172 9.678 1.00 0.00 N ATOM 1111 CA GLU A 73 4.050 -7.654 10.724 1.00 0.00 C ATOM 1112 C GLU A 73 3.628 -9.096 10.461 1.00 0.00 C ATOM 1113 O GLU A 73 4.088 -10.020 11.132 1.00 0.00 O ATOM 1114 CB GLU A 73 2.812 -6.756 10.819 1.00 0.00 C ATOM 1115 CG GLU A 73 2.429 -6.404 12.244 1.00 0.00 C ATOM 1116 CD GLU A 73 1.350 -5.341 12.314 1.00 0.00 C ATOM 1117 OE1 GLU A 73 0.410 -5.394 11.494 1.00 0.00 O ATOM 1118 OE2 GLU A 73 1.447 -4.453 13.187 1.00 0.00 O ATOM 0 H GLU A 73 5.192 -7.872 8.977 1.00 0.00 H new ATOM 0 HA GLU A 73 4.588 -7.620 11.672 1.00 0.00 H new ATOM 0 HB2 GLU A 73 2.996 -5.837 10.263 1.00 0.00 H new ATOM 0 HB3 GLU A 73 1.972 -7.257 10.338 1.00 0.00 H new ATOM 0 HG2 GLU A 73 2.082 -7.302 12.755 1.00 0.00 H new ATOM 0 HG3 GLU A 73 3.313 -6.055 12.778 1.00 0.00 H new ATOM 1125 N ILE A 74 2.750 -9.277 9.483 1.00 0.00 N ATOM 1126 CA ILE A 74 2.252 -10.600 9.121 1.00 0.00 C ATOM 1127 C ILE A 74 1.407 -10.525 7.862 1.00 0.00 C ATOM 1128 O ILE A 74 1.675 -11.214 6.878 1.00 0.00 O ATOM 1129 CB ILE A 74 1.424 -11.232 10.244 1.00 0.00 C ATOM 1130 CG1 ILE A 74 0.684 -10.181 11.066 1.00 0.00 C ATOM 1131 CG2 ILE A 74 2.334 -12.051 11.130 1.00 0.00 C ATOM 1132 CD1 ILE A 74 -0.778 -10.503 11.274 1.00 0.00 C ATOM 0 H ILE A 74 2.365 -8.518 8.921 1.00 0.00 H new ATOM 0 HA ILE A 74 3.125 -11.228 8.945 1.00 0.00 H new ATOM 0 HB ILE A 74 0.668 -11.875 9.794 1.00 0.00 H new ATOM 0 HG12 ILE A 74 1.169 -10.082 12.037 1.00 0.00 H new ATOM 0 HG13 ILE A 74 0.769 -9.215 10.568 1.00 0.00 H new ATOM 0 HG21 ILE A 74 1.750 -12.504 11.932 1.00 0.00 H new ATOM 0 HG22 ILE A 74 2.808 -12.835 10.539 1.00 0.00 H new ATOM 0 HG23 ILE A 74 3.101 -11.406 11.559 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -1.243 -9.715 11.866 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -1.276 -10.573 10.307 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -0.870 -11.454 11.799 1.00 0.00 H new ATOM 1144 N ARG A 75 0.393 -9.674 7.899 1.00 0.00 N ATOM 1145 CA ARG A 75 -0.488 -9.490 6.762 1.00 0.00 C ATOM 1146 C ARG A 75 -0.695 -7.999 6.496 1.00 0.00 C ATOM 1147 O ARG A 75 -0.879 -7.220 7.429 1.00 0.00 O ATOM 1148 CB ARG A 75 -1.834 -10.181 7.017 1.00 0.00 C ATOM 1149 CG ARG A 75 -2.954 -9.718 6.098 1.00 0.00 C ATOM 1150 CD ARG A 75 -3.869 -10.869 5.710 1.00 0.00 C ATOM 1151 NE ARG A 75 -5.106 -10.874 6.487 1.00 0.00 N ATOM 1152 CZ ARG A 75 -5.224 -11.425 7.695 1.00 0.00 C ATOM 1153 NH1 ARG A 75 -4.181 -12.008 8.272 1.00 0.00 N ATOM 1154 NH2 ARG A 75 -6.389 -11.388 8.326 1.00 0.00 N ATOM 0 H ARG A 75 0.161 -9.099 8.709 1.00 0.00 H new ATOM 0 HA ARG A 75 -0.029 -9.941 5.882 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -1.705 -11.257 6.901 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -2.131 -10.005 8.051 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -3.536 -8.941 6.594 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -2.528 -9.272 5.199 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -4.108 -10.799 4.649 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -3.345 -11.813 5.857 1.00 0.00 H new ATOM 0 HE ARG A 75 -5.929 -10.429 6.081 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -3.282 -12.036 7.791 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -4.278 -12.428 9.197 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -7.193 -10.939 7.887 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -6.482 -11.809 9.250 1.00 0.00 H new ATOM 1168 N PRO A 76 -0.667 -7.580 5.218 1.00 0.00 N ATOM 1169 CA PRO A 76 -0.850 -6.179 4.834 1.00 0.00 C ATOM 1170 C PRO A 76 -1.962 -5.492 5.624 1.00 0.00 C ATOM 1171 O PRO A 76 -2.949 -6.122 6.004 1.00 0.00 O ATOM 1172 CB PRO A 76 -1.220 -6.258 3.340 1.00 0.00 C ATOM 1173 CG PRO A 76 -1.275 -7.718 3.002 1.00 0.00 C ATOM 1174 CD PRO A 76 -0.459 -8.423 4.042 1.00 0.00 C ATOM 0 HA PRO A 76 0.043 -5.588 5.035 1.00 0.00 H new ATOM 0 HB2 PRO A 76 -2.180 -5.778 3.150 1.00 0.00 H new ATOM 0 HB3 PRO A 76 -0.480 -5.744 2.727 1.00 0.00 H new ATOM 0 HG2 PRO A 76 -2.304 -8.079 3.005 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -0.875 -7.901 2.005 1.00 0.00 H new ATOM 0 HD2 PRO A 76 -0.803 -9.444 4.207 1.00 0.00 H new ATOM 0 HD3 PRO A 76 0.593 -8.482 3.764 1.00 0.00 H new ATOM 1182 N TRP A 77 -1.796 -4.194 5.862 1.00 0.00 N ATOM 1183 CA TRP A 77 -2.786 -3.418 6.602 1.00 0.00 C ATOM 1184 C TRP A 77 -3.024 -2.072 5.934 1.00 0.00 C ATOM 1185 O TRP A 77 -2.314 -1.101 6.191 1.00 0.00 O ATOM 1186 CB TRP A 77 -2.362 -3.211 8.064 1.00 0.00 C ATOM 1187 CG TRP A 77 -0.888 -3.354 8.311 1.00 0.00 C ATOM 1188 CD1 TRP A 77 -0.212 -4.506 8.587 1.00 0.00 C ATOM 1189 CD2 TRP A 77 0.086 -2.305 8.320 1.00 0.00 C ATOM 1190 NE1 TRP A 77 1.124 -4.240 8.762 1.00 0.00 N ATOM 1191 CE2 TRP A 77 1.333 -2.895 8.602 1.00 0.00 C ATOM 1192 CE3 TRP A 77 0.028 -0.923 8.112 1.00 0.00 C ATOM 1193 CZ2 TRP A 77 2.509 -2.153 8.685 1.00 0.00 C ATOM 1194 CZ3 TRP A 77 1.195 -0.187 8.194 1.00 0.00 C ATOM 1195 CH2 TRP A 77 2.421 -0.803 8.478 1.00 0.00 C ATOM 0 H TRP A 77 -0.985 -3.658 5.553 1.00 0.00 H new ATOM 0 HA TRP A 77 -3.716 -3.986 6.596 1.00 0.00 H new ATOM 0 HB2 TRP A 77 -2.676 -2.217 8.383 1.00 0.00 H new ATOM 0 HB3 TRP A 77 -2.894 -3.929 8.688 1.00 0.00 H new ATOM 0 HD1 TRP A 77 -0.662 -5.485 8.658 1.00 0.00 H new ATOM 0 HE1 TRP A 77 1.843 -4.931 8.976 1.00 0.00 H new ATOM 0 HE3 TRP A 77 -0.912 -0.440 7.891 1.00 0.00 H new ATOM 0 HZ2 TRP A 77 3.455 -2.625 8.905 1.00 0.00 H new ATOM 0 HZ3 TRP A 77 1.161 0.881 8.037 1.00 0.00 H new ATOM 0 HH2 TRP A 77 3.315 -0.200 8.535 1.00 0.00 H new ATOM 1206 N CYS A 78 -4.034 -2.027 5.074 1.00 0.00 N ATOM 1207 CA CYS A 78 -4.378 -0.807 4.362 1.00 0.00 C ATOM 1208 C CYS A 78 -5.836 -0.442 4.603 1.00 0.00 C ATOM 1209 O CYS A 78 -6.534 -1.116 5.357 1.00 0.00 O ATOM 1210 CB CYS A 78 -4.115 -0.978 2.868 1.00 0.00 C ATOM 1211 SG CYS A 78 -2.610 -0.138 2.285 1.00 0.00 S ATOM 0 H CYS A 78 -4.630 -2.825 4.854 1.00 0.00 H new ATOM 0 HA CYS A 78 -3.753 0.003 4.738 1.00 0.00 H new ATOM 0 HB2 CYS A 78 -4.037 -2.041 2.642 1.00 0.00 H new ATOM 0 HB3 CYS A 78 -4.971 -0.596 2.312 1.00 0.00 H new ATOM 1216 N TYR A 79 -6.291 0.628 3.967 1.00 0.00 N ATOM 1217 CA TYR A 79 -7.668 1.079 4.128 1.00 0.00 C ATOM 1218 C TYR A 79 -8.586 0.433 3.081 1.00 0.00 C ATOM 1219 O TYR A 79 -8.499 -0.771 2.836 1.00 0.00 O ATOM 1220 CB TYR A 79 -7.725 2.609 4.061 1.00 0.00 C ATOM 1221 CG TYR A 79 -6.827 3.306 5.067 1.00 0.00 C ATOM 1222 CD1 TYR A 79 -6.138 2.591 6.046 1.00 0.00 C ATOM 1223 CD2 TYR A 79 -6.669 4.685 5.037 1.00 0.00 C ATOM 1224 CE1 TYR A 79 -5.325 3.232 6.958 1.00 0.00 C ATOM 1225 CE2 TYR A 79 -5.857 5.333 5.949 1.00 0.00 C ATOM 1226 CZ TYR A 79 -5.187 4.603 6.906 1.00 0.00 C ATOM 1227 OH TYR A 79 -4.377 5.244 7.815 1.00 0.00 O ATOM 0 H TYR A 79 -5.729 1.200 3.336 1.00 0.00 H new ATOM 0 HA TYR A 79 -8.030 0.765 5.107 1.00 0.00 H new ATOM 0 HB2 TYR A 79 -7.445 2.929 3.057 1.00 0.00 H new ATOM 0 HB3 TYR A 79 -8.754 2.931 4.223 1.00 0.00 H new ATOM 0 HD1 TYR A 79 -6.243 1.517 6.091 1.00 0.00 H new ATOM 0 HD2 TYR A 79 -7.190 5.262 4.287 1.00 0.00 H new ATOM 0 HE1 TYR A 79 -4.799 2.662 7.710 1.00 0.00 H new ATOM 0 HE2 TYR A 79 -5.748 6.407 5.911 1.00 0.00 H new ATOM 0 HH TYR A 79 -4.389 6.208 7.641 1.00 0.00 H new ATOM 1237 N THR A 80 -9.469 1.225 2.469 1.00 0.00 N ATOM 1238 CA THR A 80 -10.395 0.715 1.470 1.00 0.00 C ATOM 1239 C THR A 80 -10.931 1.855 0.611 1.00 0.00 C ATOM 1240 O THR A 80 -10.746 3.027 0.938 1.00 0.00 O ATOM 1241 CB THR A 80 -11.559 -0.005 2.152 1.00 0.00 C ATOM 1242 OG1 THR A 80 -11.975 0.700 3.306 1.00 0.00 O ATOM 1243 CG2 THR A 80 -11.229 -1.421 2.574 1.00 0.00 C ATOM 0 H THR A 80 -9.558 2.224 2.652 1.00 0.00 H new ATOM 0 HA THR A 80 -9.861 0.011 0.831 1.00 0.00 H new ATOM 0 HB THR A 80 -12.350 -0.044 1.403 1.00 0.00 H new ATOM 0 HG1 THR A 80 -12.410 1.537 3.039 1.00 0.00 H new ATOM 0 HG21 THR A 80 -12.100 -1.871 3.051 1.00 0.00 H new ATOM 0 HG22 THR A 80 -10.952 -2.007 1.697 1.00 0.00 H new ATOM 0 HG23 THR A 80 -10.397 -1.406 3.278 1.00 0.00 H new ATOM 1251 N MET A 81 -11.609 1.510 -0.477 1.00 0.00 N ATOM 1252 CA MET A 81 -12.187 2.510 -1.367 1.00 0.00 C ATOM 1253 C MET A 81 -13.626 2.822 -0.950 1.00 0.00 C ATOM 1254 O MET A 81 -14.475 3.136 -1.784 1.00 0.00 O ATOM 1255 CB MET A 81 -12.144 2.014 -2.818 1.00 0.00 C ATOM 1256 CG MET A 81 -12.731 2.988 -3.836 1.00 0.00 C ATOM 1257 SD MET A 81 -12.322 4.712 -3.497 1.00 0.00 S ATOM 1258 CE MET A 81 -10.533 4.655 -3.558 1.00 0.00 C ATOM 0 H MET A 81 -11.772 0.545 -0.764 1.00 0.00 H new ATOM 0 HA MET A 81 -11.600 3.426 -1.295 1.00 0.00 H new ATOM 0 HB2 MET A 81 -11.108 1.806 -3.087 1.00 0.00 H new ATOM 0 HB3 MET A 81 -12.685 1.070 -2.883 1.00 0.00 H new ATOM 0 HG2 MET A 81 -12.369 2.725 -4.830 1.00 0.00 H new ATOM 0 HG3 MET A 81 -13.815 2.876 -3.852 1.00 0.00 H new ATOM 0 HE1 MET A 81 -10.134 5.666 -3.473 1.00 0.00 H new ATOM 0 HE2 MET A 81 -10.160 4.047 -2.734 1.00 0.00 H new ATOM 0 HE3 MET A 81 -10.215 4.217 -4.504 1.00 0.00 H new ATOM 1268 N ASP A 82 -13.888 2.733 0.351 1.00 0.00 N ATOM 1269 CA ASP A 82 -15.214 3.003 0.892 1.00 0.00 C ATOM 1270 C ASP A 82 -15.120 3.933 2.099 1.00 0.00 C ATOM 1271 O ASP A 82 -14.211 3.805 2.918 1.00 0.00 O ATOM 1272 CB ASP A 82 -15.895 1.693 1.296 1.00 0.00 C ATOM 1273 CG ASP A 82 -17.402 1.826 1.386 1.00 0.00 C ATOM 1274 OD1 ASP A 82 -17.897 2.264 2.446 1.00 0.00 O ATOM 1275 OD2 ASP A 82 -18.088 1.493 0.397 1.00 0.00 O ATOM 0 H ASP A 82 -13.194 2.474 1.053 1.00 0.00 H new ATOM 0 HA ASP A 82 -15.809 3.491 0.120 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -15.645 0.918 0.571 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -15.504 1.366 2.260 1.00 0.00 H new ATOM 1280 N PRO A 83 -16.058 4.887 2.228 1.00 0.00 N ATOM 1281 CA PRO A 83 -16.067 5.837 3.342 1.00 0.00 C ATOM 1282 C PRO A 83 -16.701 5.257 4.604 1.00 0.00 C ATOM 1283 O PRO A 83 -17.513 5.913 5.257 1.00 0.00 O ATOM 1284 CB PRO A 83 -16.917 6.981 2.795 1.00 0.00 C ATOM 1285 CG PRO A 83 -17.886 6.322 1.874 1.00 0.00 C ATOM 1286 CD PRO A 83 -17.180 5.121 1.297 1.00 0.00 C ATOM 0 HA PRO A 83 -15.062 6.128 3.647 1.00 0.00 H new ATOM 0 HB2 PRO A 83 -17.430 7.512 3.597 1.00 0.00 H new ATOM 0 HB3 PRO A 83 -16.305 7.713 2.269 1.00 0.00 H new ATOM 0 HG2 PRO A 83 -18.787 6.022 2.409 1.00 0.00 H new ATOM 0 HG3 PRO A 83 -18.197 7.006 1.084 1.00 0.00 H new ATOM 0 HD2 PRO A 83 -17.842 4.256 1.243 1.00 0.00 H new ATOM 0 HD3 PRO A 83 -16.825 5.314 0.285 1.00 0.00 H new ATOM 1294 N SER A 84 -16.325 4.029 4.946 1.00 0.00 N ATOM 1295 CA SER A 84 -16.856 3.368 6.131 1.00 0.00 C ATOM 1296 C SER A 84 -15.952 2.218 6.564 1.00 0.00 C ATOM 1297 O SER A 84 -16.416 1.102 6.796 1.00 0.00 O ATOM 1298 CB SER A 84 -18.271 2.849 5.861 1.00 0.00 C ATOM 1299 OG SER A 84 -19.230 3.882 6.006 1.00 0.00 O ATOM 0 H SER A 84 -15.654 3.471 4.418 1.00 0.00 H new ATOM 0 HA SER A 84 -16.894 4.099 6.938 1.00 0.00 H new ATOM 0 HB2 SER A 84 -18.325 2.438 4.853 1.00 0.00 H new ATOM 0 HB3 SER A 84 -18.501 2.036 6.550 1.00 0.00 H new ATOM 0 HG SER A 84 -18.794 4.752 5.891 1.00 0.00 H new ATOM 1305 N VAL A 85 -14.657 2.497 6.669 1.00 0.00 N ATOM 1306 CA VAL A 85 -13.689 1.482 7.071 1.00 0.00 C ATOM 1307 C VAL A 85 -12.522 2.097 7.830 1.00 0.00 C ATOM 1308 O VAL A 85 -12.378 1.894 9.036 1.00 0.00 O ATOM 1309 CB VAL A 85 -13.131 0.717 5.857 1.00 0.00 C ATOM 1310 CG1 VAL A 85 -12.471 -0.583 6.297 1.00 0.00 C ATOM 1311 CG2 VAL A 85 -14.226 0.443 4.840 1.00 0.00 C ATOM 0 H VAL A 85 -14.254 3.415 6.482 1.00 0.00 H new ATOM 0 HA VAL A 85 -14.224 0.789 7.721 1.00 0.00 H new ATOM 0 HB VAL A 85 -12.375 1.342 5.382 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -12.083 -1.108 5.424 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -11.651 -0.362 6.981 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -13.205 -1.211 6.802 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -13.807 -0.098 3.992 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -15.010 -0.157 5.302 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -14.647 1.387 4.496 1.00 0.00 H new ATOM 1321 N ARG A 86 -11.681 2.838 7.108 1.00 0.00 N ATOM 1322 CA ARG A 86 -10.504 3.480 7.693 1.00 0.00 C ATOM 1323 C ARG A 86 -9.335 2.499 7.791 1.00 0.00 C ATOM 1324 O ARG A 86 -8.176 2.910 7.843 1.00 0.00 O ATOM 1325 CB ARG A 86 -10.822 4.057 9.076 1.00 0.00 C ATOM 1326 CG ARG A 86 -10.139 5.387 9.351 1.00 0.00 C ATOM 1327 CD ARG A 86 -10.016 5.652 10.843 1.00 0.00 C ATOM 1328 NE ARG A 86 -11.270 6.135 11.419 1.00 0.00 N ATOM 1329 CZ ARG A 86 -11.393 6.572 12.671 1.00 0.00 C ATOM 1330 NH1 ARG A 86 -10.341 6.587 13.480 1.00 0.00 N ATOM 1331 NH2 ARG A 86 -12.568 6.995 13.113 1.00 0.00 N ATOM 0 H ARG A 86 -11.795 3.009 6.109 1.00 0.00 H new ATOM 0 HA ARG A 86 -10.216 4.299 7.034 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -11.900 4.186 9.168 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -10.521 3.339 9.838 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -9.148 5.389 8.897 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -10.706 6.192 8.883 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -9.713 4.736 11.350 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -9.230 6.387 11.017 1.00 0.00 H new ATOM 0 HE ARG A 86 -12.100 6.137 10.827 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -9.434 6.263 13.144 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -10.439 6.922 14.438 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -13.379 6.986 12.494 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -12.662 7.330 14.072 1.00 0.00 H new ATOM 1345 N TRP A 87 -9.642 1.202 7.815 1.00 0.00 N ATOM 1346 CA TRP A 87 -8.611 0.175 7.904 1.00 0.00 C ATOM 1347 C TRP A 87 -9.181 -1.190 7.517 1.00 0.00 C ATOM 1348 O TRP A 87 -10.325 -1.510 7.839 1.00 0.00 O ATOM 1349 CB TRP A 87 -8.009 0.157 9.320 1.00 0.00 C ATOM 1350 CG TRP A 87 -7.752 -1.212 9.878 1.00 0.00 C ATOM 1351 CD1 TRP A 87 -8.682 -2.143 10.237 1.00 0.00 C ATOM 1352 CD2 TRP A 87 -6.474 -1.793 10.152 1.00 0.00 C ATOM 1353 NE1 TRP A 87 -8.060 -3.271 10.713 1.00 0.00 N ATOM 1354 CE2 TRP A 87 -6.703 -3.079 10.670 1.00 0.00 C ATOM 1355 CE3 TRP A 87 -5.156 -1.351 10.005 1.00 0.00 C ATOM 1356 CZ2 TRP A 87 -5.665 -3.927 11.042 1.00 0.00 C ATOM 1357 CZ3 TRP A 87 -4.126 -2.193 10.376 1.00 0.00 C ATOM 1358 CH2 TRP A 87 -4.385 -3.468 10.889 1.00 0.00 C ATOM 0 H TRP A 87 -10.595 0.841 7.774 1.00 0.00 H new ATOM 0 HA TRP A 87 -7.812 0.407 7.200 1.00 0.00 H new ATOM 0 HB2 TRP A 87 -7.070 0.711 9.307 1.00 0.00 H new ATOM 0 HB3 TRP A 87 -8.683 0.687 9.993 1.00 0.00 H new ATOM 0 HD1 TRP A 87 -9.751 -2.012 10.158 1.00 0.00 H new ATOM 0 HE1 TRP A 87 -8.530 -4.113 11.044 1.00 0.00 H new ATOM 0 HE3 TRP A 87 -4.947 -0.368 9.608 1.00 0.00 H new ATOM 0 HZ2 TRP A 87 -5.862 -4.912 11.437 1.00 0.00 H new ATOM 0 HZ3 TRP A 87 -3.104 -1.861 10.268 1.00 0.00 H new ATOM 0 HH2 TRP A 87 -3.558 -4.103 11.170 1.00 0.00 H new ATOM 1369 N GLU A 88 -8.376 -1.985 6.825 1.00 0.00 N ATOM 1370 CA GLU A 88 -8.796 -3.312 6.391 1.00 0.00 C ATOM 1371 C GLU A 88 -7.590 -4.173 6.033 1.00 0.00 C ATOM 1372 O GLU A 88 -6.504 -3.658 5.770 1.00 0.00 O ATOM 1373 CB GLU A 88 -9.736 -3.203 5.192 1.00 0.00 C ATOM 1374 CG GLU A 88 -10.273 -4.541 4.713 1.00 0.00 C ATOM 1375 CD GLU A 88 -11.048 -5.277 5.788 1.00 0.00 C ATOM 1376 OE1 GLU A 88 -12.095 -4.754 6.226 1.00 0.00 O ATOM 1377 OE2 GLU A 88 -10.609 -6.374 6.191 1.00 0.00 O ATOM 0 H GLU A 88 -7.426 -1.734 6.551 1.00 0.00 H new ATOM 0 HA GLU A 88 -9.326 -3.788 7.216 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -10.574 -2.559 5.456 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -9.208 -2.718 4.371 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -10.919 -4.381 3.850 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -9.443 -5.163 4.379 1.00 0.00 H new ATOM 1384 N TYR A 89 -7.791 -5.484 6.016 1.00 0.00 N ATOM 1385 CA TYR A 89 -6.717 -6.412 5.681 1.00 0.00 C ATOM 1386 C TYR A 89 -6.697 -6.694 4.186 1.00 0.00 C ATOM 1387 O TYR A 89 -7.530 -6.185 3.442 1.00 0.00 O ATOM 1388 CB TYR A 89 -6.875 -7.714 6.464 1.00 0.00 C ATOM 1389 CG TYR A 89 -6.585 -7.553 7.936 1.00 0.00 C ATOM 1390 CD1 TYR A 89 -7.324 -6.669 8.708 1.00 0.00 C ATOM 1391 CD2 TYR A 89 -5.569 -8.273 8.550 1.00 0.00 C ATOM 1392 CE1 TYR A 89 -7.063 -6.506 10.052 1.00 0.00 C ATOM 1393 CE2 TYR A 89 -5.299 -8.118 9.896 1.00 0.00 C ATOM 1394 CZ TYR A 89 -6.049 -7.233 10.644 1.00 0.00 C ATOM 1395 OH TYR A 89 -5.785 -7.074 11.984 1.00 0.00 O ATOM 0 H TYR A 89 -8.684 -5.928 6.229 1.00 0.00 H new ATOM 0 HA TYR A 89 -5.768 -5.951 5.957 1.00 0.00 H new ATOM 0 HB2 TYR A 89 -7.891 -8.087 6.338 1.00 0.00 H new ATOM 0 HB3 TYR A 89 -6.205 -8.466 6.047 1.00 0.00 H new ATOM 0 HD1 TYR A 89 -8.118 -6.098 8.248 1.00 0.00 H new ATOM 0 HD2 TYR A 89 -4.980 -8.965 7.966 1.00 0.00 H new ATOM 0 HE1 TYR A 89 -7.648 -5.813 10.639 1.00 0.00 H new ATOM 0 HE2 TYR A 89 -4.506 -8.686 10.360 1.00 0.00 H new ATOM 0 HH TYR A 89 -5.042 -7.659 12.243 1.00 0.00 H new ATOM 1405 N CYS A 90 -5.738 -7.505 3.755 1.00 0.00 N ATOM 1406 CA CYS A 90 -5.606 -7.855 2.345 1.00 0.00 C ATOM 1407 C CYS A 90 -5.758 -9.360 2.150 1.00 0.00 C ATOM 1408 O CYS A 90 -5.559 -10.136 3.085 1.00 0.00 O ATOM 1409 CB CYS A 90 -4.247 -7.394 1.816 1.00 0.00 C ATOM 1410 SG CYS A 90 -4.339 -6.355 0.325 1.00 0.00 S ATOM 0 H CYS A 90 -5.039 -7.933 4.362 1.00 0.00 H new ATOM 0 HA CYS A 90 -6.396 -7.351 1.788 1.00 0.00 H new ATOM 0 HB2 CYS A 90 -3.734 -6.838 2.601 1.00 0.00 H new ATOM 0 HB3 CYS A 90 -3.639 -8.271 1.597 1.00 0.00 H new ATOM 1415 N ASN A 91 -6.105 -9.773 0.933 1.00 0.00 N ATOM 1416 CA ASN A 91 -6.272 -11.191 0.631 1.00 0.00 C ATOM 1417 C ASN A 91 -4.987 -11.951 0.957 1.00 0.00 C ATOM 1418 O ASN A 91 -4.091 -12.071 0.126 1.00 0.00 O ATOM 1419 CB ASN A 91 -6.657 -11.390 -0.832 1.00 0.00 C ATOM 1420 CG ASN A 91 -5.582 -10.912 -1.783 1.00 0.00 C ATOM 1421 OD1 ASN A 91 -4.764 -11.698 -2.259 1.00 0.00 O ATOM 1422 ND2 ASN A 91 -5.578 -9.617 -2.065 1.00 0.00 N ATOM 0 H ASN A 91 -6.275 -9.149 0.144 1.00 0.00 H new ATOM 0 HA ASN A 91 -7.079 -11.586 1.249 1.00 0.00 H new ATOM 0 HB2 ASN A 91 -6.854 -12.447 -1.012 1.00 0.00 H new ATOM 0 HB3 ASN A 91 -7.584 -10.854 -1.037 1.00 0.00 H new ATOM 0 HD21 ASN A 91 -4.877 -9.236 -2.700 1.00 0.00 H new ATOM 0 HD22 ASN A 91 -6.276 -9.002 -1.647 1.00 0.00 H new ATOM 1429 N LEU A 92 -4.912 -12.435 2.189 1.00 0.00 N ATOM 1430 CA LEU A 92 -3.767 -13.158 2.699 1.00 0.00 C ATOM 1431 C LEU A 92 -4.189 -13.938 3.944 1.00 0.00 C ATOM 1432 O LEU A 92 -4.629 -13.351 4.930 1.00 0.00 O ATOM 1433 CB LEU A 92 -2.660 -12.160 3.062 1.00 0.00 C ATOM 1434 CG LEU A 92 -1.377 -12.154 2.204 1.00 0.00 C ATOM 1435 CD1 LEU A 92 -1.492 -13.007 0.945 1.00 0.00 C ATOM 1436 CD2 LEU A 92 -0.994 -10.727 1.838 1.00 0.00 C ATOM 0 H LEU A 92 -5.663 -12.331 2.871 1.00 0.00 H new ATOM 0 HA LEU A 92 -3.393 -13.850 1.944 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -3.089 -11.159 3.027 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -2.369 -12.346 4.096 1.00 0.00 H new ATOM 0 HG LEU A 92 -0.593 -12.602 2.815 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -0.557 -12.960 0.387 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -1.697 -14.041 1.223 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -2.305 -12.631 0.324 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -0.087 -10.737 1.233 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -1.803 -10.267 1.271 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -0.816 -10.153 2.748 1.00 0.00 H new ATOM 1448 N THR A 93 -4.064 -15.251 3.896 1.00 0.00 N ATOM 1449 CA THR A 93 -4.441 -16.095 5.025 1.00 0.00 C ATOM 1450 C THR A 93 -3.488 -17.270 5.177 1.00 0.00 C ATOM 1451 O THR A 93 -2.775 -17.632 4.247 1.00 0.00 O ATOM 1452 CB THR A 93 -5.873 -16.608 4.873 1.00 0.00 C ATOM 1453 OG1 THR A 93 -6.111 -17.098 3.569 1.00 0.00 O ATOM 1454 CG2 THR A 93 -6.916 -15.557 5.166 1.00 0.00 C ATOM 0 H THR A 93 -3.705 -15.761 3.089 1.00 0.00 H new ATOM 0 HA THR A 93 -4.381 -15.480 5.923 1.00 0.00 H new ATOM 0 HB THR A 93 -5.963 -17.408 5.608 1.00 0.00 H new ATOM 0 HG1 THR A 93 -6.527 -16.396 3.026 1.00 0.00 H new ATOM 0 HG21 THR A 93 -7.910 -15.986 5.040 1.00 0.00 H new ATOM 0 HG22 THR A 93 -6.800 -15.205 6.191 1.00 0.00 H new ATOM 0 HG23 THR A 93 -6.792 -14.720 4.479 1.00 0.00 H new ATOM 1462 N ARG A 94 -3.479 -17.865 6.356 1.00 0.00 N ATOM 1463 CA ARG A 94 -2.605 -18.995 6.622 1.00 0.00 C ATOM 1464 C ARG A 94 -2.939 -20.162 5.696 1.00 0.00 C ATOM 1465 O ARG A 94 -4.010 -20.760 5.794 1.00 0.00 O ATOM 1466 CB ARG A 94 -2.755 -19.417 8.079 1.00 0.00 C ATOM 1467 CG ARG A 94 -1.788 -18.711 9.016 1.00 0.00 C ATOM 1468 CD ARG A 94 -0.481 -19.474 9.151 1.00 0.00 C ATOM 1469 NE ARG A 94 -0.626 -20.668 9.981 1.00 0.00 N ATOM 1470 CZ ARG A 94 -0.673 -20.646 11.311 1.00 0.00 C ATOM 1471 NH1 ARG A 94 -0.585 -19.495 11.967 1.00 0.00 N ATOM 1472 NH2 ARG A 94 -0.810 -21.778 11.988 1.00 0.00 N ATOM 0 H ARG A 94 -4.065 -17.586 7.143 1.00 0.00 H new ATOM 0 HA ARG A 94 -1.573 -18.699 6.435 1.00 0.00 H new ATOM 0 HB2 ARG A 94 -3.776 -19.216 8.404 1.00 0.00 H new ATOM 0 HB3 ARG A 94 -2.602 -20.494 8.155 1.00 0.00 H new ATOM 0 HG2 ARG A 94 -1.587 -17.707 8.643 1.00 0.00 H new ATOM 0 HG3 ARG A 94 -2.248 -18.600 9.998 1.00 0.00 H new ATOM 0 HD2 ARG A 94 -0.125 -19.762 8.162 1.00 0.00 H new ATOM 0 HD3 ARG A 94 0.277 -18.821 9.585 1.00 0.00 H new ATOM 0 HE ARG A 94 -0.695 -21.572 9.513 1.00 0.00 H new ATOM 0 HH11 ARG A 94 -0.481 -18.621 11.452 1.00 0.00 H new ATOM 0 HH12 ARG A 94 -0.622 -19.485 12.986 1.00 0.00 H new ATOM 0 HH21 ARG A 94 -0.879 -22.665 11.489 1.00 0.00 H new ATOM 0 HH22 ARG A 94 -0.846 -21.762 13.007 1.00 0.00 H new ATOM 1486 N CYS A 95 -2.012 -20.473 4.793 1.00 0.00 N ATOM 1487 CA CYS A 95 -2.199 -21.563 3.842 1.00 0.00 C ATOM 1488 C CYS A 95 -1.664 -22.879 4.407 1.00 0.00 C ATOM 1489 O CYS A 95 -0.618 -22.902 5.055 1.00 0.00 O ATOM 1490 CB CYS A 95 -1.497 -21.235 2.520 1.00 0.00 C ATOM 1491 SG CYS A 95 -2.500 -21.577 1.037 1.00 0.00 S ATOM 0 H CYS A 95 -1.122 -19.983 4.701 1.00 0.00 H new ATOM 0 HA CYS A 95 -3.268 -21.678 3.661 1.00 0.00 H new ATOM 0 HB2 CYS A 95 -1.218 -20.181 2.521 1.00 0.00 H new ATOM 0 HB3 CYS A 95 -0.573 -21.809 2.460 1.00 0.00 H new ATOM 1496 N PRO A 96 -2.375 -23.995 4.168 1.00 0.00 N ATOM 1497 CA PRO A 96 -1.960 -25.311 4.658 1.00 0.00 C ATOM 1498 C PRO A 96 -0.770 -25.871 3.883 1.00 0.00 C ATOM 1499 O PRO A 96 -0.923 -26.369 2.767 1.00 0.00 O ATOM 1500 CB PRO A 96 -3.200 -26.178 4.432 1.00 0.00 C ATOM 1501 CG PRO A 96 -3.899 -25.540 3.283 1.00 0.00 C ATOM 1502 CD PRO A 96 -3.636 -24.062 3.402 1.00 0.00 C ATOM 0 HA PRO A 96 -1.630 -25.274 5.696 1.00 0.00 H new ATOM 0 HB2 PRO A 96 -2.927 -27.209 4.207 1.00 0.00 H new ATOM 0 HB3 PRO A 96 -3.834 -26.202 5.318 1.00 0.00 H new ATOM 0 HG2 PRO A 96 -3.525 -25.927 2.335 1.00 0.00 H new ATOM 0 HG3 PRO A 96 -4.968 -25.749 3.313 1.00 0.00 H new ATOM 0 HD2 PRO A 96 -3.536 -23.592 2.423 1.00 0.00 H new ATOM 0 HD3 PRO A 96 -4.447 -23.551 3.920 1.00 0.00 H new ATOM 1510 N VAL A 97 0.413 -25.782 4.480 1.00 0.00 N ATOM 1511 CA VAL A 97 1.630 -26.278 3.843 1.00 0.00 C ATOM 1512 C VAL A 97 2.566 -26.917 4.865 1.00 0.00 C ATOM 1513 O VAL A 97 2.759 -28.133 4.867 1.00 0.00 O ATOM 1514 CB VAL A 97 2.385 -25.159 3.092 1.00 0.00 C ATOM 1515 CG1 VAL A 97 1.971 -25.129 1.629 1.00 0.00 C ATOM 1516 CG2 VAL A 97 2.152 -23.801 3.743 1.00 0.00 C ATOM 0 H VAL A 97 0.557 -25.372 5.403 1.00 0.00 H new ATOM 0 HA VAL A 97 1.316 -27.031 3.120 1.00 0.00 H new ATOM 0 HB VAL A 97 3.452 -25.377 3.149 1.00 0.00 H new ATOM 0 HG11 VAL A 97 2.512 -24.335 1.114 1.00 0.00 H new ATOM 0 HG12 VAL A 97 2.204 -26.087 1.165 1.00 0.00 H new ATOM 0 HG13 VAL A 97 0.899 -24.943 1.558 1.00 0.00 H new ATOM 0 HG21 VAL A 97 2.697 -23.035 3.191 1.00 0.00 H new ATOM 0 HG22 VAL A 97 1.087 -23.569 3.730 1.00 0.00 H new ATOM 0 HG23 VAL A 97 2.506 -23.826 4.774 1.00 0.00 H new ATOM 1526 N THR A 98 3.149 -26.092 5.730 1.00 0.00 N ATOM 1527 CA THR A 98 4.065 -26.582 6.753 1.00 0.00 C ATOM 1528 C THR A 98 3.369 -27.579 7.675 1.00 0.00 C ATOM 1529 O THR A 98 2.480 -27.212 8.444 1.00 0.00 O ATOM 1530 CB THR A 98 4.618 -25.415 7.572 1.00 0.00 C ATOM 1531 OG1 THR A 98 4.555 -24.208 6.831 1.00 0.00 O ATOM 1532 CG2 THR A 98 6.056 -25.615 8.002 1.00 0.00 C ATOM 0 H THR A 98 3.003 -25.083 5.742 1.00 0.00 H new ATOM 0 HA THR A 98 4.889 -27.091 6.253 1.00 0.00 H new ATOM 0 HB THR A 98 3.992 -25.365 8.463 1.00 0.00 H new ATOM 0 HG1 THR A 98 4.912 -23.473 7.372 1.00 0.00 H new ATOM 0 HG21 THR A 98 6.387 -24.751 8.579 1.00 0.00 H new ATOM 0 HG22 THR A 98 6.131 -26.512 8.617 1.00 0.00 H new ATOM 0 HG23 THR A 98 6.687 -25.726 7.120 1.00 0.00 H new ATOM 1540 N GLU A 99 3.782 -28.839 7.594 1.00 0.00 N ATOM 1541 CA GLU A 99 3.200 -29.890 8.422 1.00 0.00 C ATOM 1542 C GLU A 99 4.014 -31.175 8.324 1.00 0.00 C ATOM 1543 O GLU A 99 4.501 -31.533 7.251 1.00 0.00 O ATOM 1544 CB GLU A 99 1.753 -30.156 8.001 1.00 0.00 C ATOM 1545 CG GLU A 99 0.735 -29.309 8.749 1.00 0.00 C ATOM 1546 CD GLU A 99 -0.508 -30.089 9.123 1.00 0.00 C ATOM 1547 OE1 GLU A 99 -0.371 -31.154 9.761 1.00 0.00 O ATOM 1548 OE2 GLU A 99 -1.620 -29.635 8.781 1.00 0.00 O ATOM 0 H GLU A 99 4.518 -29.158 6.963 1.00 0.00 H new ATOM 0 HA GLU A 99 3.214 -29.551 9.458 1.00 0.00 H new ATOM 0 HB2 GLU A 99 1.654 -29.968 6.932 1.00 0.00 H new ATOM 0 HB3 GLU A 99 1.525 -31.210 8.162 1.00 0.00 H new ATOM 0 HG2 GLU A 99 1.194 -28.909 9.653 1.00 0.00 H new ATOM 0 HG3 GLU A 99 0.453 -28.457 8.131 1.00 0.00 H new ATOM 1555 N SER A 100 4.158 -31.865 9.450 1.00 0.00 N ATOM 1556 CA SER A 100 4.915 -33.112 9.492 1.00 0.00 C ATOM 1557 C SER A 100 6.370 -32.879 9.103 1.00 0.00 C ATOM 1558 O SER A 100 6.671 -32.529 7.961 1.00 0.00 O ATOM 1559 CB SER A 100 4.284 -34.147 8.560 1.00 0.00 C ATOM 1560 OG SER A 100 4.396 -35.454 9.096 1.00 0.00 O ATOM 0 H SER A 100 3.761 -31.583 10.346 1.00 0.00 H new ATOM 0 HA SER A 100 4.888 -33.490 10.514 1.00 0.00 H new ATOM 0 HB2 SER A 100 3.233 -33.905 8.401 1.00 0.00 H new ATOM 0 HB3 SER A 100 4.771 -34.108 7.586 1.00 0.00 H new ATOM 0 HG SER A 100 3.983 -36.096 8.481 1.00 0.00 H new ATOM 1566 N SER A 101 7.272 -33.077 10.059 1.00 0.00 N ATOM 1567 CA SER A 101 8.699 -32.890 9.816 1.00 0.00 C ATOM 1568 C SER A 101 9.512 -34.004 10.465 1.00 0.00 C ATOM 1569 O SER A 101 10.619 -33.775 10.953 1.00 0.00 O ATOM 1570 CB SER A 101 9.154 -31.532 10.353 1.00 0.00 C ATOM 1571 OG SER A 101 8.610 -31.282 11.637 1.00 0.00 O ATOM 0 H SER A 101 7.041 -33.367 11.009 1.00 0.00 H new ATOM 0 HA SER A 101 8.867 -32.923 8.739 1.00 0.00 H new ATOM 0 HB2 SER A 101 10.242 -31.504 10.404 1.00 0.00 H new ATOM 0 HB3 SER A 101 8.847 -30.744 9.665 1.00 0.00 H new ATOM 0 HG SER A 101 8.918 -30.409 11.958 1.00 0.00 H new ATOM 1577 N VAL A 102 8.957 -35.212 10.467 1.00 0.00 N ATOM 1578 CA VAL A 102 9.630 -36.363 11.054 1.00 0.00 C ATOM 1579 C VAL A 102 8.884 -37.656 10.738 1.00 0.00 C ATOM 1580 O VAL A 102 7.638 -37.652 10.809 1.00 0.00 O ATOM 1581 CB VAL A 102 9.764 -36.214 12.583 1.00 0.00 C ATOM 1582 CG1 VAL A 102 8.393 -36.145 13.240 1.00 0.00 C ATOM 1583 CG2 VAL A 102 10.587 -37.356 13.163 1.00 0.00 C ATOM 1584 OXT VAL A 102 9.554 -38.662 10.423 1.00 0.00 O ATOM 0 H VAL A 102 8.041 -35.418 10.068 1.00 0.00 H new ATOM 0 HA VAL A 102 10.626 -36.408 10.614 1.00 0.00 H new ATOM 0 HB VAL A 102 10.285 -35.280 12.792 1.00 0.00 H new ATOM 0 HG11 VAL A 102 8.511 -36.040 14.318 1.00 0.00 H new ATOM 0 HG12 VAL A 102 7.845 -35.287 12.850 1.00 0.00 H new ATOM 0 HG13 VAL A 102 7.839 -37.058 13.023 1.00 0.00 H new ATOM 0 HG21 VAL A 102 10.670 -37.233 14.243 1.00 0.00 H new ATOM 0 HG22 VAL A 102 10.098 -38.305 12.943 1.00 0.00 H new ATOM 0 HG23 VAL A 102 11.583 -37.349 12.719 1.00 0.00 H new TER 1594 VAL A 102