USER MOD reduce.3.24.130724 H: found=0, std=0, add=910, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 907 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 96 LYS NZ :NH3+ -162:sc= -0.683 (180deg=-1.29) USER MOD Set 1.2: A 99 THR OG1 : rot 167:sc= -0.0847 USER MOD Set 2.1: A 69 THR OG1 : rot -70:sc= 1.3 USER MOD Set 2.2: A 71 SER OG : rot 180:sc= 0.0302 USER MOD Single : A 1 SER N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 SER OG : rot 180:sc= 0 USER MOD Single : A 4 THR OG1 : rot -53:sc= 1.23 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 10 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 14 HIS :FLIP no HE2:sc= -0.588 F(o=-1.6,f=-0.59) USER MOD Single : A 15 ASN : amide:sc= -0.484 K(o=-0.48,f=-2.2) USER MOD Single : A 19 SER OG : rot -40:sc= 0.0104 USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 SER OG : rot 178:sc= 0.576 USER MOD Single : A 26 THR OG1 : rot -3:sc= 1.17 USER MOD Single : A 28 THR OG1 : rot -107:sc= 0.0892 USER MOD Single : A 37 THR OG1 : rot 140:sc= 0.0126 USER MOD Single : A 38 GLN : amide:sc= -0.106 X(o=-0.11,f=0) USER MOD Single : A 40 MET CE :methyl -173:sc=-0.00651 (180deg=-0.0818) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 MET CE :methyl -111:sc= -3.12 (180deg=-8.92!) USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 73 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 74 HIS : no HD1:sc= -6.89! C(o=-6.9!,f=-6.8!) USER MOD Single : A 80 GLN : amide:sc= 0 X(o=0,f=0.22) USER MOD Single : A 88 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 90 GLN : amide:sc= -5.11 K(o=-5.1,f=-7.3!) USER MOD Single : A 104 ASN :FLIP amide:sc= -2.19 F(o=-3.1,f=-2.2) USER MOD Single : A 107 THR OG1 : rot -155:sc= 0.332 USER MOD Single : A 109 HIS : no HD1:sc= -0.235 X(o=-0.24,f=0) USER MOD Single : A 116 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 -15.772 4.964 11.502 1.00 0.00 N ATOM 2 CA SER A 1 -15.547 3.998 12.613 1.00 0.00 C ATOM 3 C SER A 1 -16.195 2.655 12.265 1.00 0.00 C ATOM 4 O SER A 1 -15.518 1.646 12.150 1.00 0.00 O ATOM 5 CB SER A 1 -16.167 4.547 13.898 1.00 0.00 C ATOM 6 OG SER A 1 -15.222 5.379 14.557 1.00 0.00 O ATOM 0 H1 SER A 1 -15.331 5.875 11.740 1.00 0.00 H new ATOM 0 H2 SER A 1 -15.349 4.592 10.628 1.00 0.00 H new ATOM 0 H3 SER A 1 -16.793 5.100 11.361 1.00 0.00 H new ATOM 0 HA SER A 1 -14.476 3.855 12.758 1.00 0.00 H new ATOM 0 HB2 SER A 1 -17.069 5.114 13.667 1.00 0.00 H new ATOM 0 HB3 SER A 1 -16.465 3.727 14.551 1.00 0.00 H new ATOM 0 HG SER A 1 -15.617 5.734 15.381 1.00 0.00 H new ATOM 14 N VAL A 2 -17.503 2.645 12.103 1.00 0.00 N ATOM 15 CA VAL A 2 -18.230 1.379 11.766 1.00 0.00 C ATOM 16 C VAL A 2 -17.934 0.981 10.310 1.00 0.00 C ATOM 17 O VAL A 2 -17.142 0.086 10.064 1.00 0.00 O ATOM 18 CB VAL A 2 -19.737 1.585 11.971 1.00 0.00 C ATOM 19 CG1 VAL A 2 -20.481 0.277 11.693 1.00 0.00 C ATOM 20 CG2 VAL A 2 -19.993 2.012 13.418 1.00 0.00 C ATOM 0 H VAL A 2 -18.099 3.468 12.191 1.00 0.00 H new ATOM 0 HA VAL A 2 -17.891 0.576 12.421 1.00 0.00 H new ATOM 0 HB VAL A 2 -20.093 2.355 11.287 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -21.550 0.428 11.840 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -20.297 -0.035 10.665 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -20.127 -0.495 12.376 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -21.062 2.160 13.570 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -19.634 1.237 14.095 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -19.465 2.944 13.621 1.00 0.00 H new ATOM 30 N GLY A 3 -18.561 1.641 9.354 1.00 0.00 N ATOM 31 CA GLY A 3 -18.325 1.316 7.909 1.00 0.00 C ATOM 32 C GLY A 3 -19.400 0.346 7.415 1.00 0.00 C ATOM 33 O GLY A 3 -19.710 -0.632 8.079 1.00 0.00 O ATOM 0 H GLY A 3 -19.229 2.394 9.518 1.00 0.00 H new ATOM 0 HA2 GLY A 3 -18.344 2.229 7.313 1.00 0.00 H new ATOM 0 HA3 GLY A 3 -17.337 0.874 7.783 1.00 0.00 H new ATOM 37 N THR A 4 -19.964 0.615 6.255 1.00 0.00 N ATOM 38 CA THR A 4 -21.026 -0.276 5.690 1.00 0.00 C ATOM 39 C THR A 4 -20.406 -1.274 4.698 1.00 0.00 C ATOM 40 O THR A 4 -21.098 -1.835 3.863 1.00 0.00 O ATOM 41 CB THR A 4 -22.078 0.580 4.977 1.00 0.00 C ATOM 42 OG1 THR A 4 -23.047 -0.267 4.376 1.00 0.00 O ATOM 43 CG2 THR A 4 -21.406 1.436 3.902 1.00 0.00 C ATOM 0 H THR A 4 -19.729 1.420 5.675 1.00 0.00 H new ATOM 0 HA THR A 4 -21.497 -0.834 6.500 1.00 0.00 H new ATOM 0 HB THR A 4 -22.565 1.233 5.701 1.00 0.00 H new ATOM 0 HG1 THR A 4 -22.597 -0.927 3.809 1.00 0.00 H new ATOM 0 HG21 THR A 4 -22.158 2.043 3.398 1.00 0.00 H new ATOM 0 HG22 THR A 4 -20.665 2.087 4.366 1.00 0.00 H new ATOM 0 HG23 THR A 4 -20.915 0.788 3.175 1.00 0.00 H new ATOM 51 N SER A 5 -19.111 -1.505 4.801 1.00 0.00 N ATOM 52 CA SER A 5 -18.417 -2.473 3.893 1.00 0.00 C ATOM 53 C SER A 5 -17.005 -2.729 4.438 1.00 0.00 C ATOM 54 O SER A 5 -16.474 -1.912 5.175 1.00 0.00 O ATOM 55 CB SER A 5 -18.343 -1.893 2.472 1.00 0.00 C ATOM 56 OG SER A 5 -17.397 -0.827 2.429 1.00 0.00 O ATOM 0 H SER A 5 -18.503 -1.056 5.486 1.00 0.00 H new ATOM 0 HA SER A 5 -18.970 -3.412 3.853 1.00 0.00 H new ATOM 0 HB2 SER A 5 -18.057 -2.673 1.766 1.00 0.00 H new ATOM 0 HB3 SER A 5 -19.325 -1.531 2.166 1.00 0.00 H new ATOM 0 HG SER A 5 -17.354 -0.464 1.520 1.00 0.00 H new ATOM 62 N CYS A 6 -16.395 -3.849 4.086 1.00 0.00 N ATOM 63 CA CYS A 6 -15.019 -4.165 4.588 1.00 0.00 C ATOM 64 C CYS A 6 -15.049 -4.238 6.121 1.00 0.00 C ATOM 65 O CYS A 6 -15.978 -3.756 6.749 1.00 0.00 O ATOM 66 CB CYS A 6 -14.045 -3.075 4.123 1.00 0.00 C ATOM 67 SG CYS A 6 -14.228 -2.838 2.335 1.00 0.00 S ATOM 0 H CYS A 6 -16.798 -4.555 3.470 1.00 0.00 H new ATOM 0 HA CYS A 6 -14.686 -5.125 4.192 1.00 0.00 H new ATOM 0 HB2 CYS A 6 -14.247 -2.142 4.648 1.00 0.00 H new ATOM 0 HB3 CYS A 6 -13.020 -3.360 4.361 1.00 0.00 H new ATOM 72 N ILE A 7 -14.049 -4.852 6.720 1.00 0.00 N ATOM 73 CA ILE A 7 -14.013 -4.985 8.221 1.00 0.00 C ATOM 74 C ILE A 7 -12.552 -5.124 8.692 1.00 0.00 C ATOM 75 O ILE A 7 -11.674 -5.357 7.880 1.00 0.00 O ATOM 76 CB ILE A 7 -14.828 -6.218 8.695 1.00 0.00 C ATOM 77 CG1 ILE A 7 -15.083 -7.205 7.543 1.00 0.00 C ATOM 78 CG2 ILE A 7 -16.179 -5.753 9.245 1.00 0.00 C ATOM 79 CD1 ILE A 7 -15.677 -8.501 8.098 1.00 0.00 C ATOM 0 H ILE A 7 -13.254 -5.268 6.234 1.00 0.00 H new ATOM 0 HA ILE A 7 -14.461 -4.090 8.653 1.00 0.00 H new ATOM 0 HB ILE A 7 -14.248 -6.724 9.466 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -15.765 -6.763 6.816 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -14.151 -7.416 7.019 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -16.753 -6.617 9.578 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -16.017 -5.079 10.086 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -16.730 -5.231 8.463 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -15.857 -9.198 7.280 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -14.980 -8.946 8.808 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -16.618 -8.283 8.602 1.00 0.00 H new ATOM 91 N PRO A 8 -12.324 -4.974 9.997 1.00 0.00 N ATOM 92 CA PRO A 8 -10.969 -5.076 10.579 1.00 0.00 C ATOM 93 C PRO A 8 -10.544 -6.554 10.676 1.00 0.00 C ATOM 94 O PRO A 8 -11.370 -7.412 10.940 1.00 0.00 O ATOM 95 CB PRO A 8 -11.122 -4.459 11.973 1.00 0.00 C ATOM 96 CG PRO A 8 -12.622 -4.557 12.333 1.00 0.00 C ATOM 97 CD PRO A 8 -13.384 -4.695 11.003 1.00 0.00 C ATOM 0 HA PRO A 8 -10.207 -4.574 9.983 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -10.512 -4.992 12.702 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -10.789 -3.421 11.977 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -12.810 -5.415 12.979 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -12.949 -3.671 12.877 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -14.114 -5.503 11.045 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -13.931 -3.783 10.762 1.00 0.00 H new ATOM 105 N GLY A 9 -9.269 -6.857 10.458 1.00 0.00 N ATOM 106 CA GLY A 9 -8.786 -8.276 10.527 1.00 0.00 C ATOM 107 C GLY A 9 -9.499 -9.141 9.468 1.00 0.00 C ATOM 108 O GLY A 9 -9.449 -10.359 9.528 1.00 0.00 O ATOM 0 H GLY A 9 -8.547 -6.172 10.235 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -7.708 -8.308 10.366 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -8.972 -8.682 11.522 1.00 0.00 H new ATOM 112 N MET A 10 -10.156 -8.520 8.503 1.00 0.00 N ATOM 113 CA MET A 10 -10.875 -9.275 7.430 1.00 0.00 C ATOM 114 C MET A 10 -10.667 -8.521 6.092 1.00 0.00 C ATOM 115 O MET A 10 -11.224 -7.451 5.934 1.00 0.00 O ATOM 116 CB MET A 10 -12.368 -9.305 7.767 1.00 0.00 C ATOM 117 CG MET A 10 -12.608 -10.251 8.947 1.00 0.00 C ATOM 118 SD MET A 10 -13.098 -11.879 8.327 1.00 0.00 S ATOM 119 CE MET A 10 -11.750 -12.822 9.081 1.00 0.00 C ATOM 0 H MET A 10 -10.220 -7.505 8.420 1.00 0.00 H new ATOM 0 HA MET A 10 -10.497 -10.294 7.352 1.00 0.00 H new ATOM 0 HB2 MET A 10 -12.716 -8.302 8.015 1.00 0.00 H new ATOM 0 HB3 MET A 10 -12.940 -9.636 6.900 1.00 0.00 H new ATOM 0 HG2 MET A 10 -11.703 -10.337 9.548 1.00 0.00 H new ATOM 0 HG3 MET A 10 -13.385 -9.849 9.597 1.00 0.00 H new ATOM 0 HE1 MET A 10 -11.855 -13.876 8.824 1.00 0.00 H new ATOM 0 HE2 MET A 10 -10.795 -12.452 8.709 1.00 0.00 H new ATOM 0 HE3 MET A 10 -11.787 -12.707 10.164 1.00 0.00 H new ATOM 129 N ALA A 11 -9.861 -9.038 5.149 1.00 0.00 N ATOM 130 CA ALA A 11 -9.590 -8.332 3.837 1.00 0.00 C ATOM 131 C ALA A 11 -8.414 -7.375 4.042 1.00 0.00 C ATOM 132 O ALA A 11 -7.379 -7.513 3.411 1.00 0.00 O ATOM 133 CB ALA A 11 -10.818 -7.556 3.330 1.00 0.00 C ATOM 0 H ALA A 11 -9.379 -9.932 5.247 1.00 0.00 H new ATOM 0 HA ALA A 11 -9.355 -9.081 3.080 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -10.575 -7.067 2.387 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -11.647 -8.247 3.177 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -11.103 -6.804 4.066 1.00 0.00 H new ATOM 139 N ILE A 12 -8.563 -6.432 4.947 1.00 0.00 N ATOM 140 CA ILE A 12 -7.465 -5.471 5.260 1.00 0.00 C ATOM 141 C ILE A 12 -6.946 -5.820 6.676 1.00 0.00 C ATOM 142 O ILE A 12 -7.575 -5.434 7.649 1.00 0.00 O ATOM 143 CB ILE A 12 -8.014 -4.036 5.238 1.00 0.00 C ATOM 144 CG1 ILE A 12 -8.567 -3.728 3.840 1.00 0.00 C ATOM 145 CG2 ILE A 12 -6.893 -3.043 5.577 1.00 0.00 C ATOM 146 CD1 ILE A 12 -9.696 -2.694 3.938 1.00 0.00 C ATOM 0 H ILE A 12 -9.416 -6.290 5.488 1.00 0.00 H new ATOM 0 HA ILE A 12 -6.661 -5.539 4.527 1.00 0.00 H new ATOM 0 HB ILE A 12 -8.809 -3.941 5.977 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -7.770 -3.349 3.200 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -8.939 -4.642 3.378 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -7.289 -2.028 5.560 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -6.500 -3.263 6.570 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -6.093 -3.133 4.842 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -10.082 -2.482 2.941 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -10.498 -3.089 4.561 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -9.311 -1.776 4.381 1.00 0.00 H new ATOM 158 N PRO A 13 -5.855 -6.583 6.777 1.00 0.00 N ATOM 159 CA PRO A 13 -5.327 -7.016 8.085 1.00 0.00 C ATOM 160 C PRO A 13 -4.441 -5.947 8.711 1.00 0.00 C ATOM 161 O PRO A 13 -4.160 -4.922 8.112 1.00 0.00 O ATOM 162 CB PRO A 13 -4.516 -8.270 7.752 1.00 0.00 C ATOM 163 CG PRO A 13 -4.149 -8.175 6.252 1.00 0.00 C ATOM 164 CD PRO A 13 -5.044 -7.084 5.635 1.00 0.00 C ATOM 0 HA PRO A 13 -6.118 -7.200 8.812 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -3.618 -8.325 8.368 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -5.096 -9.171 7.952 1.00 0.00 H new ATOM 0 HG2 PRO A 13 -3.095 -7.924 6.128 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -4.310 -9.132 5.755 1.00 0.00 H new ATOM 0 HD2 PRO A 13 -4.449 -6.287 5.190 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -5.677 -7.489 4.845 1.00 0.00 H new ATOM 172 N HIS A 14 -4.012 -6.199 9.925 1.00 0.00 N ATOM 173 CA HIS A 14 -3.148 -5.253 10.664 1.00 0.00 C ATOM 174 C HIS A 14 -1.741 -5.272 10.030 1.00 0.00 C ATOM 175 O HIS A 14 -1.276 -6.320 9.611 1.00 0.00 O ATOM 176 CB HIS A 14 -3.078 -5.721 12.123 1.00 0.00 C ATOM 177 CG HIS A 14 -4.468 -6.001 12.659 1.00 0.00 C ATOM 178 ND1 HIS A 14 -5.245 -7.134 12.641 1.00 0.00 N flip ATOM 179 CD2 HIS A 14 -5.219 -5.042 13.328 1.00 0.00 C flip ATOM 180 CE1 HIS A 14 -6.453 -6.890 13.286 1.00 0.00 C flip ATOM 181 NE2 HIS A 14 -6.390 -5.616 13.682 1.00 0.00 N flip ATOM 0 H HIS A 14 -4.238 -7.050 10.440 1.00 0.00 H new ATOM 0 HA HIS A 14 -3.544 -4.238 10.621 1.00 0.00 H new ATOM 0 HB2 HIS A 14 -2.467 -6.621 12.193 1.00 0.00 H new ATOM 0 HB3 HIS A 14 -2.594 -4.958 12.733 1.00 0.00 H new ATOM 0 HD1 HIS A 14 -4.976 -8.022 12.218 1.00 0.00 H new ATOM 0 HD2 HIS A 14 -4.921 -4.023 13.528 1.00 0.00 H new ATOM 0 HE1 HIS A 14 -7.268 -7.583 13.435 1.00 0.00 H new ATOM 189 N ASN A 15 -1.070 -4.131 9.937 1.00 0.00 N ATOM 190 CA ASN A 15 0.292 -4.083 9.310 1.00 0.00 C ATOM 191 C ASN A 15 0.193 -4.592 7.846 1.00 0.00 C ATOM 192 O ASN A 15 0.831 -5.570 7.483 1.00 0.00 O ATOM 193 CB ASN A 15 1.257 -4.953 10.133 1.00 0.00 C ATOM 194 CG ASN A 15 1.494 -4.301 11.495 1.00 0.00 C ATOM 195 OD1 ASN A 15 0.880 -4.673 12.475 1.00 0.00 O ATOM 196 ND2 ASN A 15 2.363 -3.332 11.598 1.00 0.00 N ATOM 0 H ASN A 15 -1.416 -3.232 10.273 1.00 0.00 H new ATOM 0 HA ASN A 15 0.672 -3.061 9.298 1.00 0.00 H new ATOM 0 HB2 ASN A 15 0.842 -5.952 10.263 1.00 0.00 H new ATOM 0 HB3 ASN A 15 2.203 -5.068 9.603 1.00 0.00 H new ATOM 0 HD21 ASN A 15 2.526 -2.887 12.501 1.00 0.00 H new ATOM 0 HD22 ASN A 15 2.879 -3.020 10.775 1.00 0.00 H new ATOM 203 N PRO A 16 -0.629 -3.921 7.041 1.00 0.00 N ATOM 204 CA PRO A 16 -0.843 -4.307 5.624 1.00 0.00 C ATOM 205 C PRO A 16 0.299 -3.837 4.715 1.00 0.00 C ATOM 206 O PRO A 16 0.931 -2.825 4.963 1.00 0.00 O ATOM 207 CB PRO A 16 -2.134 -3.577 5.242 1.00 0.00 C ATOM 208 CG PRO A 16 -2.263 -2.381 6.214 1.00 0.00 C ATOM 209 CD PRO A 16 -1.424 -2.732 7.455 1.00 0.00 C ATOM 0 HA PRO A 16 -0.891 -5.390 5.507 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -2.095 -3.235 4.208 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -2.995 -4.240 5.326 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -1.903 -1.463 5.749 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -3.305 -2.213 6.486 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -0.778 -1.903 7.745 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -2.058 -2.957 8.313 1.00 0.00 H new ATOM 217 N LEU A 17 0.525 -4.568 3.641 1.00 0.00 N ATOM 218 CA LEU A 17 1.582 -4.217 2.633 1.00 0.00 C ATOM 219 C LEU A 17 2.894 -3.769 3.310 1.00 0.00 C ATOM 220 O LEU A 17 3.537 -2.819 2.880 1.00 0.00 O ATOM 221 CB LEU A 17 1.043 -3.104 1.725 1.00 0.00 C ATOM 222 CG LEU A 17 0.201 -3.723 0.608 1.00 0.00 C ATOM 223 CD1 LEU A 17 -1.193 -4.076 1.145 1.00 0.00 C ATOM 224 CD2 LEU A 17 0.072 -2.720 -0.542 1.00 0.00 C ATOM 0 H LEU A 17 0.005 -5.416 3.418 1.00 0.00 H new ATOM 0 HA LEU A 17 1.814 -5.105 2.045 1.00 0.00 H new ATOM 0 HB2 LEU A 17 0.440 -2.406 2.306 1.00 0.00 H new ATOM 0 HB3 LEU A 17 1.869 -2.534 1.300 1.00 0.00 H new ATOM 0 HG LEU A 17 0.685 -4.631 0.248 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -1.790 -4.517 0.346 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -1.098 -4.790 1.963 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -1.683 -3.172 1.508 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -0.527 -3.157 -1.341 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -0.411 -1.812 -0.181 1.00 0.00 H new ATOM 0 HD23 LEU A 17 1.063 -2.476 -0.925 1.00 0.00 H new ATOM 236 N ASP A 18 3.299 -4.463 4.352 1.00 0.00 N ATOM 237 CA ASP A 18 4.577 -4.106 5.056 1.00 0.00 C ATOM 238 C ASP A 18 5.757 -4.342 4.105 1.00 0.00 C ATOM 239 O ASP A 18 6.758 -3.625 4.137 1.00 0.00 O ATOM 240 CB ASP A 18 4.744 -4.968 6.314 1.00 0.00 C ATOM 241 CG ASP A 18 4.677 -6.450 5.939 1.00 0.00 C ATOM 242 OD1 ASP A 18 3.576 -6.962 5.825 1.00 0.00 O ATOM 243 OD2 ASP A 18 5.728 -7.048 5.776 1.00 0.00 O ATOM 0 H ASP A 18 2.800 -5.261 4.745 1.00 0.00 H new ATOM 0 HA ASP A 18 4.547 -3.057 5.352 1.00 0.00 H new ATOM 0 HB2 ASP A 18 5.698 -4.747 6.793 1.00 0.00 H new ATOM 0 HB3 ASP A 18 3.962 -4.730 7.035 1.00 0.00 H new ATOM 248 N SER A 19 5.626 -5.330 3.244 1.00 0.00 N ATOM 249 CA SER A 19 6.702 -5.641 2.257 1.00 0.00 C ATOM 250 C SER A 19 6.825 -4.478 1.274 1.00 0.00 C ATOM 251 O SER A 19 7.873 -4.267 0.692 1.00 0.00 O ATOM 252 CB SER A 19 6.351 -6.922 1.497 1.00 0.00 C ATOM 253 OG SER A 19 7.546 -7.631 1.196 1.00 0.00 O ATOM 0 H SER A 19 4.808 -5.937 3.188 1.00 0.00 H new ATOM 0 HA SER A 19 7.648 -5.785 2.778 1.00 0.00 H new ATOM 0 HB2 SER A 19 5.687 -7.544 2.097 1.00 0.00 H new ATOM 0 HB3 SER A 19 5.817 -6.679 0.578 1.00 0.00 H new ATOM 0 HG SER A 19 8.246 -6.997 0.934 1.00 0.00 H new ATOM 259 N CYS A 20 5.751 -3.737 1.086 1.00 0.00 N ATOM 260 CA CYS A 20 5.762 -2.576 0.147 1.00 0.00 C ATOM 261 C CYS A 20 6.493 -1.408 0.796 1.00 0.00 C ATOM 262 O CYS A 20 7.240 -0.703 0.138 1.00 0.00 O ATOM 263 CB CYS A 20 4.321 -2.196 -0.183 1.00 0.00 C ATOM 264 SG CYS A 20 3.432 -3.684 -0.717 1.00 0.00 S ATOM 0 H CYS A 20 4.858 -3.895 1.553 1.00 0.00 H new ATOM 0 HA CYS A 20 6.280 -2.838 -0.775 1.00 0.00 H new ATOM 0 HB2 CYS A 20 3.836 -1.760 0.690 1.00 0.00 H new ATOM 0 HB3 CYS A 20 4.300 -1.441 -0.969 1.00 0.00 H new ATOM 269 N ARG A 21 6.301 -1.220 2.085 1.00 0.00 N ATOM 270 CA ARG A 21 6.996 -0.116 2.809 1.00 0.00 C ATOM 271 C ARG A 21 8.519 -0.360 2.711 1.00 0.00 C ATOM 272 O ARG A 21 9.290 0.529 2.342 1.00 0.00 O ATOM 273 CB ARG A 21 6.482 -0.077 4.284 1.00 0.00 C ATOM 274 CG ARG A 21 7.621 -0.201 5.317 1.00 0.00 C ATOM 275 CD ARG A 21 7.084 0.072 6.722 1.00 0.00 C ATOM 276 NE ARG A 21 8.169 -0.166 7.717 1.00 0.00 N ATOM 277 CZ ARG A 21 8.123 -1.208 8.506 1.00 0.00 C ATOM 278 NH1 ARG A 21 7.661 -2.347 8.065 1.00 0.00 N ATOM 279 NH2 ARG A 21 8.545 -1.110 9.738 1.00 0.00 N ATOM 0 H ARG A 21 5.687 -1.792 2.665 1.00 0.00 H new ATOM 0 HA ARG A 21 6.783 0.858 2.368 1.00 0.00 H new ATOM 0 HB2 ARG A 21 5.945 0.856 4.452 1.00 0.00 H new ATOM 0 HB3 ARG A 21 5.769 -0.887 4.437 1.00 0.00 H new ATOM 0 HG2 ARG A 21 8.056 -1.199 5.273 1.00 0.00 H new ATOM 0 HG3 ARG A 21 8.417 0.505 5.079 1.00 0.00 H new ATOM 0 HD2 ARG A 21 6.727 1.099 6.794 1.00 0.00 H new ATOM 0 HD3 ARG A 21 6.233 -0.577 6.932 1.00 0.00 H new ATOM 0 HE ARG A 21 8.950 0.487 7.782 1.00 0.00 H new ATOM 0 HH11 ARG A 21 7.334 -2.426 7.102 1.00 0.00 H new ATOM 0 HH12 ARG A 21 7.627 -3.157 8.684 1.00 0.00 H new ATOM 0 HH21 ARG A 21 8.910 -0.222 10.083 1.00 0.00 H new ATOM 0 HH22 ARG A 21 8.510 -1.921 10.355 1.00 0.00 H new ATOM 293 N TRP A 22 8.944 -1.568 3.041 1.00 0.00 N ATOM 294 CA TRP A 22 10.409 -1.892 2.985 1.00 0.00 C ATOM 295 C TRP A 22 10.892 -1.970 1.538 1.00 0.00 C ATOM 296 O TRP A 22 12.057 -1.714 1.257 1.00 0.00 O ATOM 297 CB TRP A 22 10.731 -3.202 3.718 1.00 0.00 C ATOM 298 CG TRP A 22 10.825 -2.891 5.159 1.00 0.00 C ATOM 299 CD1 TRP A 22 10.071 -3.402 6.139 1.00 0.00 C ATOM 300 CD2 TRP A 22 11.732 -1.967 5.769 1.00 0.00 C ATOM 301 NE1 TRP A 22 10.467 -2.832 7.344 1.00 0.00 N ATOM 302 CE2 TRP A 22 11.503 -1.929 7.155 1.00 0.00 C ATOM 303 CE3 TRP A 22 12.723 -1.167 5.224 1.00 0.00 C ATOM 304 CZ2 TRP A 22 12.259 -1.098 7.989 1.00 0.00 C ATOM 305 CZ3 TRP A 22 13.493 -0.327 6.045 1.00 0.00 C ATOM 306 CH2 TRP A 22 13.260 -0.292 7.429 1.00 0.00 C ATOM 0 H TRP A 22 8.342 -2.334 3.343 1.00 0.00 H new ATOM 0 HA TRP A 22 10.937 -1.084 3.492 1.00 0.00 H new ATOM 0 HB2 TRP A 22 9.954 -3.945 3.536 1.00 0.00 H new ATOM 0 HB3 TRP A 22 11.668 -3.625 3.355 1.00 0.00 H new ATOM 0 HD1 TRP A 22 9.287 -4.134 6.015 1.00 0.00 H new ATOM 0 HE1 TRP A 22 10.050 -3.050 8.249 1.00 0.00 H new ATOM 0 HE3 TRP A 22 12.905 -1.189 4.160 1.00 0.00 H new ATOM 0 HZ2 TRP A 22 12.073 -1.078 9.053 1.00 0.00 H new ATOM 0 HZ3 TRP A 22 14.264 0.292 5.612 1.00 0.00 H new ATOM 0 HH2 TRP A 22 13.851 0.355 8.061 1.00 0.00 H new ATOM 317 N TYR A 23 10.008 -2.306 0.622 1.00 0.00 N ATOM 318 CA TYR A 23 10.406 -2.397 -0.813 1.00 0.00 C ATOM 319 C TYR A 23 10.723 -0.991 -1.316 1.00 0.00 C ATOM 320 O TYR A 23 11.599 -0.819 -2.145 1.00 0.00 O ATOM 321 CB TYR A 23 9.291 -3.044 -1.648 1.00 0.00 C ATOM 322 CG TYR A 23 9.694 -3.151 -3.114 1.00 0.00 C ATOM 323 CD1 TYR A 23 11.034 -3.379 -3.486 1.00 0.00 C ATOM 324 CD2 TYR A 23 8.716 -3.017 -4.108 1.00 0.00 C ATOM 325 CE1 TYR A 23 11.381 -3.469 -4.838 1.00 0.00 C ATOM 326 CE2 TYR A 23 9.068 -3.111 -5.460 1.00 0.00 C ATOM 327 CZ TYR A 23 10.400 -3.332 -5.825 1.00 0.00 C ATOM 328 OH TYR A 23 10.744 -3.420 -7.158 1.00 0.00 O ATOM 0 H TYR A 23 9.029 -2.520 0.813 1.00 0.00 H new ATOM 0 HA TYR A 23 11.289 -3.028 -0.913 1.00 0.00 H new ATOM 0 HB2 TYR A 23 9.068 -4.036 -1.256 1.00 0.00 H new ATOM 0 HB3 TYR A 23 8.378 -2.454 -1.561 1.00 0.00 H new ATOM 0 HD1 TYR A 23 11.794 -3.484 -2.726 1.00 0.00 H new ATOM 0 HD2 TYR A 23 7.687 -2.841 -3.831 1.00 0.00 H new ATOM 0 HE1 TYR A 23 12.409 -3.645 -5.120 1.00 0.00 H new ATOM 0 HE2 TYR A 23 8.309 -3.013 -6.222 1.00 0.00 H new ATOM 0 HH TYR A 23 9.943 -3.303 -7.711 1.00 0.00 H new ATOM 338 N VAL A 24 10.047 0.020 -0.787 1.00 0.00 N ATOM 339 CA VAL A 24 10.359 1.421 -1.205 1.00 0.00 C ATOM 340 C VAL A 24 11.665 1.818 -0.540 1.00 0.00 C ATOM 341 O VAL A 24 12.484 2.466 -1.149 1.00 0.00 O ATOM 342 CB VAL A 24 9.273 2.416 -0.773 1.00 0.00 C ATOM 343 CG1 VAL A 24 9.690 3.849 -1.186 1.00 0.00 C ATOM 344 CG2 VAL A 24 7.949 2.050 -1.443 1.00 0.00 C ATOM 0 H VAL A 24 9.304 -0.073 -0.094 1.00 0.00 H new ATOM 0 HA VAL A 24 10.420 1.451 -2.293 1.00 0.00 H new ATOM 0 HB VAL A 24 9.152 2.375 0.309 1.00 0.00 H new ATOM 0 HG11 VAL A 24 8.918 4.555 -0.879 1.00 0.00 H new ATOM 0 HG12 VAL A 24 10.632 4.108 -0.702 1.00 0.00 H new ATOM 0 HG13 VAL A 24 9.814 3.894 -2.268 1.00 0.00 H new ATOM 0 HG21 VAL A 24 7.178 2.757 -1.136 1.00 0.00 H new ATOM 0 HG22 VAL A 24 8.066 2.089 -2.526 1.00 0.00 H new ATOM 0 HG23 VAL A 24 7.657 1.043 -1.146 1.00 0.00 H new ATOM 354 N SER A 25 11.857 1.444 0.715 1.00 0.00 N ATOM 355 CA SER A 25 13.127 1.816 1.426 1.00 0.00 C ATOM 356 C SER A 25 14.337 1.328 0.609 1.00 0.00 C ATOM 357 O SER A 25 15.352 1.996 0.533 1.00 0.00 O ATOM 358 CB SER A 25 13.187 1.175 2.818 1.00 0.00 C ATOM 359 OG SER A 25 11.873 0.989 3.329 1.00 0.00 O ATOM 0 H SER A 25 11.193 0.903 1.268 1.00 0.00 H new ATOM 0 HA SER A 25 13.149 2.901 1.532 1.00 0.00 H new ATOM 0 HB2 SER A 25 13.703 0.216 2.763 1.00 0.00 H new ATOM 0 HB3 SER A 25 13.762 1.808 3.494 1.00 0.00 H new ATOM 0 HG SER A 25 11.921 0.546 4.202 1.00 0.00 H new ATOM 365 N THR A 26 14.218 0.151 0.019 1.00 0.00 N ATOM 366 CA THR A 26 15.343 -0.450 -0.782 1.00 0.00 C ATOM 367 C THR A 26 15.463 0.208 -2.174 1.00 0.00 C ATOM 368 O THR A 26 16.540 0.611 -2.575 1.00 0.00 O ATOM 369 CB THR A 26 15.071 -1.969 -0.914 1.00 0.00 C ATOM 370 OG1 THR A 26 15.349 -2.595 0.332 1.00 0.00 O ATOM 371 CG2 THR A 26 15.936 -2.627 -2.007 1.00 0.00 C ATOM 0 H THR A 26 13.377 -0.424 0.061 1.00 0.00 H new ATOM 0 HA THR A 26 16.290 -0.275 -0.272 1.00 0.00 H new ATOM 0 HB THR A 26 14.026 -2.096 -1.197 1.00 0.00 H new ATOM 0 HG1 THR A 26 15.693 -1.929 0.963 1.00 0.00 H new ATOM 0 HG21 THR A 26 15.708 -3.692 -2.060 1.00 0.00 H new ATOM 0 HG22 THR A 26 15.722 -2.162 -2.969 1.00 0.00 H new ATOM 0 HG23 THR A 26 16.991 -2.494 -1.766 1.00 0.00 H new ATOM 379 N ARG A 27 14.381 0.277 -2.912 1.00 0.00 N ATOM 380 CA ARG A 27 14.414 0.867 -4.293 1.00 0.00 C ATOM 381 C ARG A 27 14.822 2.341 -4.255 1.00 0.00 C ATOM 382 O ARG A 27 15.301 2.877 -5.241 1.00 0.00 O ATOM 383 CB ARG A 27 13.025 0.757 -4.925 1.00 0.00 C ATOM 384 CG ARG A 27 12.672 -0.713 -5.140 1.00 0.00 C ATOM 385 CD ARG A 27 13.497 -1.272 -6.300 1.00 0.00 C ATOM 386 NE ARG A 27 14.795 -1.791 -5.782 1.00 0.00 N ATOM 387 CZ ARG A 27 15.890 -1.615 -6.472 1.00 0.00 C ATOM 388 NH1 ARG A 27 16.155 -0.446 -6.989 1.00 0.00 N ATOM 389 NH2 ARG A 27 16.720 -2.607 -6.643 1.00 0.00 N ATOM 0 H ARG A 27 13.463 -0.054 -2.614 1.00 0.00 H new ATOM 0 HA ARG A 27 15.148 0.315 -4.881 1.00 0.00 H new ATOM 0 HB2 ARG A 27 12.283 1.228 -4.280 1.00 0.00 H new ATOM 0 HB3 ARG A 27 13.005 1.289 -5.876 1.00 0.00 H new ATOM 0 HG2 ARG A 27 12.870 -1.282 -4.232 1.00 0.00 H new ATOM 0 HG3 ARG A 27 11.608 -0.815 -5.354 1.00 0.00 H new ATOM 0 HD2 ARG A 27 12.948 -2.070 -6.800 1.00 0.00 H new ATOM 0 HD3 ARG A 27 13.674 -0.494 -7.042 1.00 0.00 H new ATOM 0 HE ARG A 27 14.828 -2.283 -4.889 1.00 0.00 H new ATOM 0 HH11 ARG A 27 15.507 0.330 -6.854 1.00 0.00 H new ATOM 0 HH12 ARG A 27 17.010 -0.309 -7.528 1.00 0.00 H new ATOM 0 HH21 ARG A 27 16.514 -3.520 -6.238 1.00 0.00 H new ATOM 0 HH22 ARG A 27 17.575 -2.469 -7.182 1.00 0.00 H new ATOM 403 N THR A 28 14.589 2.999 -3.145 1.00 0.00 N ATOM 404 CA THR A 28 14.902 4.454 -3.030 1.00 0.00 C ATOM 405 C THR A 28 16.269 4.694 -2.351 1.00 0.00 C ATOM 406 O THR A 28 17.167 5.242 -2.971 1.00 0.00 O ATOM 407 CB THR A 28 13.761 5.139 -2.247 1.00 0.00 C ATOM 408 OG1 THR A 28 13.670 4.597 -0.940 1.00 0.00 O ATOM 409 CG2 THR A 28 12.437 4.914 -2.983 1.00 0.00 C ATOM 0 H THR A 28 14.190 2.582 -2.304 1.00 0.00 H new ATOM 0 HA THR A 28 14.975 4.885 -4.028 1.00 0.00 H new ATOM 0 HB THR A 28 13.969 6.206 -2.175 1.00 0.00 H new ATOM 0 HG1 THR A 28 12.874 4.029 -0.876 1.00 0.00 H new ATOM 0 HG21 THR A 28 11.629 5.396 -2.433 1.00 0.00 H new ATOM 0 HG22 THR A 28 12.500 5.341 -3.984 1.00 0.00 H new ATOM 0 HG23 THR A 28 12.239 3.845 -3.056 1.00 0.00 H new ATOM 417 N CYS A 29 16.432 4.315 -1.093 1.00 0.00 N ATOM 418 CA CYS A 29 17.736 4.549 -0.377 1.00 0.00 C ATOM 419 C CYS A 29 18.587 3.278 -0.298 1.00 0.00 C ATOM 420 O CYS A 29 19.528 3.215 0.477 1.00 0.00 O ATOM 421 CB CYS A 29 17.449 5.067 1.031 1.00 0.00 C ATOM 422 SG CYS A 29 16.951 6.788 0.914 1.00 0.00 S ATOM 0 H CYS A 29 15.715 3.853 -0.534 1.00 0.00 H new ATOM 0 HA CYS A 29 18.304 5.286 -0.945 1.00 0.00 H new ATOM 0 HB2 CYS A 29 16.662 4.476 1.499 1.00 0.00 H new ATOM 0 HB3 CYS A 29 18.335 4.971 1.658 1.00 0.00 H new ATOM 427 N GLY A 30 18.261 2.273 -1.074 1.00 0.00 N ATOM 428 CA GLY A 30 19.040 0.986 -1.039 1.00 0.00 C ATOM 429 C GLY A 30 19.071 0.423 0.396 1.00 0.00 C ATOM 430 O GLY A 30 19.937 -0.367 0.734 1.00 0.00 O ATOM 0 H GLY A 30 17.485 2.285 -1.736 1.00 0.00 H new ATOM 0 HA2 GLY A 30 18.587 0.259 -1.713 1.00 0.00 H new ATOM 0 HA3 GLY A 30 20.057 1.158 -1.392 1.00 0.00 H new ATOM 434 N VAL A 31 18.127 0.823 1.232 1.00 0.00 N ATOM 435 CA VAL A 31 18.073 0.324 2.646 1.00 0.00 C ATOM 436 C VAL A 31 16.909 -0.662 2.783 1.00 0.00 C ATOM 437 O VAL A 31 16.029 -0.706 1.938 1.00 0.00 O ATOM 438 CB VAL A 31 17.865 1.512 3.598 1.00 0.00 C ATOM 439 CG1 VAL A 31 17.857 1.018 5.050 1.00 0.00 C ATOM 440 CG2 VAL A 31 19.002 2.526 3.412 1.00 0.00 C ATOM 0 H VAL A 31 17.387 1.481 0.986 1.00 0.00 H new ATOM 0 HA VAL A 31 19.007 -0.178 2.900 1.00 0.00 H new ATOM 0 HB VAL A 31 16.911 1.988 3.372 1.00 0.00 H new ATOM 0 HG11 VAL A 31 17.709 1.864 5.721 1.00 0.00 H new ATOM 0 HG12 VAL A 31 17.047 0.301 5.186 1.00 0.00 H new ATOM 0 HG13 VAL A 31 18.809 0.537 5.276 1.00 0.00 H new ATOM 0 HG21 VAL A 31 18.853 3.368 4.088 1.00 0.00 H new ATOM 0 HG22 VAL A 31 19.956 2.048 3.633 1.00 0.00 H new ATOM 0 HG23 VAL A 31 19.006 2.884 2.382 1.00 0.00 H new ATOM 450 N GLY A 32 16.911 -1.458 3.833 1.00 0.00 N ATOM 451 CA GLY A 32 15.821 -2.462 4.035 1.00 0.00 C ATOM 452 C GLY A 32 16.454 -3.847 4.329 1.00 0.00 C ATOM 453 O GLY A 32 17.671 -3.948 4.306 1.00 0.00 O ATOM 0 H GLY A 32 17.627 -1.451 4.560 1.00 0.00 H new ATOM 0 HA2 GLY A 32 15.179 -2.159 4.862 1.00 0.00 H new ATOM 0 HA3 GLY A 32 15.192 -2.517 3.147 1.00 0.00 H new ATOM 457 N PRO A 33 15.650 -4.895 4.579 1.00 0.00 N ATOM 458 CA PRO A 33 16.222 -6.242 4.843 1.00 0.00 C ATOM 459 C PRO A 33 16.906 -6.770 3.570 1.00 0.00 C ATOM 460 O PRO A 33 16.861 -6.121 2.535 1.00 0.00 O ATOM 461 CB PRO A 33 15.007 -7.083 5.273 1.00 0.00 C ATOM 462 CG PRO A 33 13.762 -6.356 4.735 1.00 0.00 C ATOM 463 CD PRO A 33 14.151 -4.874 4.614 1.00 0.00 C ATOM 0 HA PRO A 33 16.995 -6.259 5.611 1.00 0.00 H new ATOM 0 HB2 PRO A 33 15.072 -8.093 4.869 1.00 0.00 H new ATOM 0 HB3 PRO A 33 14.964 -7.176 6.358 1.00 0.00 H new ATOM 0 HG2 PRO A 33 13.462 -6.760 3.768 1.00 0.00 H new ATOM 0 HG3 PRO A 33 12.915 -6.483 5.410 1.00 0.00 H new ATOM 0 HD2 PRO A 33 13.737 -4.425 3.711 1.00 0.00 H new ATOM 0 HD3 PRO A 33 13.779 -4.293 5.458 1.00 0.00 H new ATOM 471 N ARG A 34 17.565 -7.916 3.641 1.00 0.00 N ATOM 472 CA ARG A 34 18.280 -8.450 2.437 1.00 0.00 C ATOM 473 C ARG A 34 17.350 -9.391 1.655 1.00 0.00 C ATOM 474 O ARG A 34 17.702 -10.512 1.311 1.00 0.00 O ATOM 475 CB ARG A 34 19.554 -9.189 2.881 1.00 0.00 C ATOM 476 CG ARG A 34 19.212 -10.237 3.949 1.00 0.00 C ATOM 477 CD ARG A 34 19.951 -11.552 3.655 1.00 0.00 C ATOM 478 NE ARG A 34 21.388 -11.277 3.355 1.00 0.00 N ATOM 479 CZ ARG A 34 22.303 -11.506 4.259 1.00 0.00 C ATOM 480 NH1 ARG A 34 22.114 -11.119 5.491 1.00 0.00 N ATOM 481 NH2 ARG A 34 23.406 -12.122 3.931 1.00 0.00 N ATOM 0 H ARG A 34 17.634 -8.495 4.478 1.00 0.00 H new ATOM 0 HA ARG A 34 18.565 -7.625 1.784 1.00 0.00 H new ATOM 0 HB2 ARG A 34 20.021 -9.672 2.023 1.00 0.00 H new ATOM 0 HB3 ARG A 34 20.277 -8.477 3.278 1.00 0.00 H new ATOM 0 HG2 ARG A 34 19.491 -9.867 4.935 1.00 0.00 H new ATOM 0 HG3 ARG A 34 18.136 -10.412 3.967 1.00 0.00 H new ATOM 0 HD2 ARG A 34 19.872 -12.222 4.511 1.00 0.00 H new ATOM 0 HD3 ARG A 34 19.485 -12.059 2.810 1.00 0.00 H new ATOM 0 HE ARG A 34 21.656 -10.909 2.442 1.00 0.00 H new ATOM 0 HH11 ARG A 34 21.252 -10.638 5.748 1.00 0.00 H new ATOM 0 HH12 ARG A 34 22.828 -11.298 6.197 1.00 0.00 H new ATOM 0 HH21 ARG A 34 23.554 -12.425 2.968 1.00 0.00 H new ATOM 0 HH22 ARG A 34 24.120 -12.300 4.637 1.00 0.00 H new ATOM 495 N LEU A 35 16.169 -8.902 1.343 1.00 0.00 N ATOM 496 CA LEU A 35 15.182 -9.694 0.551 1.00 0.00 C ATOM 497 C LEU A 35 15.337 -9.288 -0.919 1.00 0.00 C ATOM 498 O LEU A 35 15.324 -8.111 -1.239 1.00 0.00 O ATOM 499 CB LEU A 35 13.760 -9.378 1.044 1.00 0.00 C ATOM 500 CG LEU A 35 13.067 -10.666 1.506 1.00 0.00 C ATOM 501 CD1 LEU A 35 13.195 -10.806 3.024 1.00 0.00 C ATOM 502 CD2 LEU A 35 11.585 -10.612 1.127 1.00 0.00 C ATOM 0 H LEU A 35 15.847 -7.972 1.611 1.00 0.00 H new ATOM 0 HA LEU A 35 15.356 -10.764 0.666 1.00 0.00 H new ATOM 0 HB2 LEU A 35 13.802 -8.663 1.865 1.00 0.00 H new ATOM 0 HB3 LEU A 35 13.184 -8.912 0.244 1.00 0.00 H new ATOM 0 HG LEU A 35 13.539 -11.521 1.022 1.00 0.00 H new ATOM 0 HD11 LEU A 35 12.701 -11.722 3.348 1.00 0.00 H new ATOM 0 HD12 LEU A 35 14.249 -10.845 3.298 1.00 0.00 H new ATOM 0 HD13 LEU A 35 12.726 -9.950 3.509 1.00 0.00 H new ATOM 0 HD21 LEU A 35 11.092 -11.527 1.455 1.00 0.00 H new ATOM 0 HD22 LEU A 35 11.117 -9.754 1.610 1.00 0.00 H new ATOM 0 HD23 LEU A 35 11.489 -10.516 0.045 1.00 0.00 H new ATOM 514 N ALA A 36 15.508 -10.250 -1.809 1.00 0.00 N ATOM 515 CA ALA A 36 15.696 -9.934 -3.266 1.00 0.00 C ATOM 516 C ALA A 36 14.569 -8.992 -3.758 1.00 0.00 C ATOM 517 O ALA A 36 13.463 -9.029 -3.246 1.00 0.00 O ATOM 518 CB ALA A 36 15.694 -11.239 -4.071 1.00 0.00 C ATOM 0 H ALA A 36 15.525 -11.245 -1.583 1.00 0.00 H new ATOM 0 HA ALA A 36 16.651 -9.427 -3.408 1.00 0.00 H new ATOM 0 HB1 ALA A 36 15.830 -11.014 -5.129 1.00 0.00 H new ATOM 0 HB2 ALA A 36 16.507 -11.879 -3.728 1.00 0.00 H new ATOM 0 HB3 ALA A 36 14.743 -11.753 -3.929 1.00 0.00 H new ATOM 524 N THR A 37 14.860 -8.133 -4.725 1.00 0.00 N ATOM 525 CA THR A 37 13.846 -7.155 -5.246 1.00 0.00 C ATOM 526 C THR A 37 12.682 -7.859 -5.955 1.00 0.00 C ATOM 527 O THR A 37 11.549 -7.444 -5.809 1.00 0.00 O ATOM 528 CB THR A 37 14.548 -6.208 -6.228 1.00 0.00 C ATOM 529 OG1 THR A 37 15.645 -5.585 -5.574 1.00 0.00 O ATOM 530 CG2 THR A 37 13.575 -5.131 -6.721 1.00 0.00 C ATOM 0 H THR A 37 15.773 -8.073 -5.177 1.00 0.00 H new ATOM 0 HA THR A 37 13.429 -6.605 -4.403 1.00 0.00 H new ATOM 0 HB THR A 37 14.900 -6.784 -7.084 1.00 0.00 H new ATOM 0 HG1 THR A 37 16.406 -5.532 -6.190 1.00 0.00 H new ATOM 0 HG21 THR A 37 14.089 -4.468 -7.417 1.00 0.00 H new ATOM 0 HG22 THR A 37 12.733 -5.605 -7.226 1.00 0.00 H new ATOM 0 HG23 THR A 37 13.210 -4.554 -5.871 1.00 0.00 H new ATOM 538 N GLN A 38 12.946 -8.891 -6.730 1.00 0.00 N ATOM 539 CA GLN A 38 11.835 -9.595 -7.460 1.00 0.00 C ATOM 540 C GLN A 38 10.890 -10.252 -6.452 1.00 0.00 C ATOM 541 O GLN A 38 9.678 -10.163 -6.580 1.00 0.00 O ATOM 542 CB GLN A 38 12.421 -10.663 -8.389 1.00 0.00 C ATOM 543 CG GLN A 38 11.332 -11.170 -9.346 1.00 0.00 C ATOM 544 CD GLN A 38 11.890 -11.245 -10.771 1.00 0.00 C ATOM 545 OE1 GLN A 38 11.251 -10.810 -11.709 1.00 0.00 O ATOM 546 NE2 GLN A 38 13.062 -11.781 -10.973 1.00 0.00 N ATOM 0 H GLN A 38 13.878 -9.274 -6.888 1.00 0.00 H new ATOM 0 HA GLN A 38 11.280 -8.869 -8.053 1.00 0.00 H new ATOM 0 HB2 GLN A 38 13.253 -10.248 -8.957 1.00 0.00 H new ATOM 0 HB3 GLN A 38 12.818 -11.492 -7.802 1.00 0.00 H new ATOM 0 HG2 GLN A 38 10.985 -12.153 -9.029 1.00 0.00 H new ATOM 0 HG3 GLN A 38 10.470 -10.503 -9.317 1.00 0.00 H new ATOM 0 HE21 GLN A 38 13.598 -12.146 -10.186 1.00 0.00 H new ATOM 0 HE22 GLN A 38 13.442 -11.835 -11.918 1.00 0.00 H new ATOM 555 N GLU A 39 11.445 -10.901 -5.457 1.00 0.00 N ATOM 556 CA GLU A 39 10.616 -11.577 -4.414 1.00 0.00 C ATOM 557 C GLU A 39 9.864 -10.525 -3.596 1.00 0.00 C ATOM 558 O GLU A 39 8.798 -10.796 -3.068 1.00 0.00 O ATOM 559 CB GLU A 39 11.525 -12.390 -3.488 1.00 0.00 C ATOM 560 CG GLU A 39 12.184 -13.524 -4.279 1.00 0.00 C ATOM 561 CD GLU A 39 11.395 -14.820 -4.077 1.00 0.00 C ATOM 562 OE1 GLU A 39 11.198 -15.199 -2.933 1.00 0.00 O ATOM 563 OE2 GLU A 39 11.000 -15.411 -5.068 1.00 0.00 O ATOM 0 H GLU A 39 12.452 -10.991 -5.323 1.00 0.00 H new ATOM 0 HA GLU A 39 9.899 -12.242 -4.896 1.00 0.00 H new ATOM 0 HB2 GLU A 39 12.289 -11.745 -3.054 1.00 0.00 H new ATOM 0 HB3 GLU A 39 10.945 -12.799 -2.661 1.00 0.00 H new ATOM 0 HG2 GLU A 39 12.219 -13.269 -5.338 1.00 0.00 H new ATOM 0 HG3 GLU A 39 13.214 -13.659 -3.950 1.00 0.00 H new ATOM 570 N MET A 40 10.411 -9.328 -3.493 1.00 0.00 N ATOM 571 CA MET A 40 9.746 -8.242 -2.716 1.00 0.00 C ATOM 572 C MET A 40 8.495 -7.812 -3.468 1.00 0.00 C ATOM 573 O MET A 40 7.387 -7.887 -2.958 1.00 0.00 O ATOM 574 CB MET A 40 10.694 -7.052 -2.613 1.00 0.00 C ATOM 575 CG MET A 40 10.300 -6.189 -1.415 1.00 0.00 C ATOM 576 SD MET A 40 10.863 -6.986 0.109 1.00 0.00 S ATOM 577 CE MET A 40 11.281 -5.476 1.014 1.00 0.00 C ATOM 0 H MET A 40 11.298 -9.064 -3.921 1.00 0.00 H new ATOM 0 HA MET A 40 9.488 -8.595 -1.718 1.00 0.00 H new ATOM 0 HB2 MET A 40 11.721 -7.400 -2.502 1.00 0.00 H new ATOM 0 HB3 MET A 40 10.655 -6.462 -3.529 1.00 0.00 H new ATOM 0 HG2 MET A 40 10.743 -5.197 -1.505 1.00 0.00 H new ATOM 0 HG3 MET A 40 9.219 -6.054 -1.390 1.00 0.00 H new ATOM 0 HE1 MET A 40 11.772 -5.738 1.951 1.00 0.00 H new ATOM 0 HE2 MET A 40 11.953 -4.865 0.411 1.00 0.00 H new ATOM 0 HE3 MET A 40 10.371 -4.915 1.225 1.00 0.00 H new ATOM 587 N LYS A 41 8.687 -7.367 -4.690 1.00 0.00 N ATOM 588 CA LYS A 41 7.542 -6.916 -5.548 1.00 0.00 C ATOM 589 C LYS A 41 6.493 -8.031 -5.635 1.00 0.00 C ATOM 590 O LYS A 41 5.303 -7.768 -5.738 1.00 0.00 O ATOM 591 CB LYS A 41 8.057 -6.594 -6.954 1.00 0.00 C ATOM 592 CG LYS A 41 6.918 -6.011 -7.807 1.00 0.00 C ATOM 593 CD LYS A 41 6.817 -6.769 -9.137 1.00 0.00 C ATOM 594 CE LYS A 41 7.498 -5.965 -10.248 1.00 0.00 C ATOM 595 NZ LYS A 41 7.726 -6.847 -11.428 1.00 0.00 N ATOM 0 H LYS A 41 9.602 -7.297 -5.135 1.00 0.00 H new ATOM 0 HA LYS A 41 7.090 -6.026 -5.110 1.00 0.00 H new ATOM 0 HB2 LYS A 41 8.880 -5.882 -6.895 1.00 0.00 H new ATOM 0 HB3 LYS A 41 8.449 -7.497 -7.423 1.00 0.00 H new ATOM 0 HG2 LYS A 41 5.974 -6.082 -7.266 1.00 0.00 H new ATOM 0 HG3 LYS A 41 7.099 -4.953 -7.995 1.00 0.00 H new ATOM 0 HD2 LYS A 41 7.287 -7.748 -9.044 1.00 0.00 H new ATOM 0 HD3 LYS A 41 5.771 -6.940 -9.389 1.00 0.00 H new ATOM 0 HE2 LYS A 41 6.877 -5.115 -10.530 1.00 0.00 H new ATOM 0 HE3 LYS A 41 8.446 -5.563 -9.892 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 8.189 -6.303 -12.184 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 8.335 -7.644 -11.153 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 6.814 -7.210 -11.771 1.00 0.00 H new ATOM 609 N ALA A 42 6.937 -9.272 -5.584 1.00 0.00 N ATOM 610 CA ALA A 42 5.996 -10.434 -5.653 1.00 0.00 C ATOM 611 C ALA A 42 5.161 -10.485 -4.372 1.00 0.00 C ATOM 612 O ALA A 42 3.967 -10.748 -4.409 1.00 0.00 O ATOM 613 CB ALA A 42 6.797 -11.731 -5.797 1.00 0.00 C ATOM 0 H ALA A 42 7.921 -9.526 -5.497 1.00 0.00 H new ATOM 0 HA ALA A 42 5.336 -10.321 -6.513 1.00 0.00 H new ATOM 0 HB1 ALA A 42 6.112 -12.578 -5.847 1.00 0.00 H new ATOM 0 HB2 ALA A 42 7.393 -11.691 -6.709 1.00 0.00 H new ATOM 0 HB3 ALA A 42 7.457 -11.848 -4.937 1.00 0.00 H new ATOM 619 N ARG A 43 5.790 -10.232 -3.244 1.00 0.00 N ATOM 620 CA ARG A 43 5.068 -10.256 -1.933 1.00 0.00 C ATOM 621 C ARG A 43 4.015 -9.150 -1.912 1.00 0.00 C ATOM 622 O ARG A 43 2.933 -9.333 -1.375 1.00 0.00 O ATOM 623 CB ARG A 43 6.071 -10.038 -0.790 1.00 0.00 C ATOM 624 CG ARG A 43 6.296 -11.354 -0.037 1.00 0.00 C ATOM 625 CD ARG A 43 6.942 -12.371 -0.979 1.00 0.00 C ATOM 626 NE ARG A 43 7.354 -13.577 -0.207 1.00 0.00 N ATOM 627 CZ ARG A 43 7.600 -14.698 -0.830 1.00 0.00 C ATOM 628 NH1 ARG A 43 8.258 -14.688 -1.957 1.00 0.00 N ATOM 629 NH2 ARG A 43 7.190 -15.829 -0.324 1.00 0.00 N ATOM 0 H ARG A 43 6.783 -10.008 -3.179 1.00 0.00 H new ATOM 0 HA ARG A 43 4.580 -11.222 -1.804 1.00 0.00 H new ATOM 0 HB2 ARG A 43 7.017 -9.671 -1.189 1.00 0.00 H new ATOM 0 HB3 ARG A 43 5.696 -9.277 -0.106 1.00 0.00 H new ATOM 0 HG2 ARG A 43 6.936 -11.186 0.829 1.00 0.00 H new ATOM 0 HG3 ARG A 43 5.347 -11.739 0.337 1.00 0.00 H new ATOM 0 HD2 ARG A 43 6.240 -12.652 -1.764 1.00 0.00 H new ATOM 0 HD3 ARG A 43 7.808 -11.928 -1.470 1.00 0.00 H new ATOM 0 HE ARG A 43 7.444 -13.527 0.808 1.00 0.00 H new ATOM 0 HH11 ARG A 43 8.580 -13.804 -2.352 1.00 0.00 H new ATOM 0 HH12 ARG A 43 8.450 -15.564 -2.443 1.00 0.00 H new ATOM 0 HH21 ARG A 43 6.678 -15.837 0.558 1.00 0.00 H new ATOM 0 HH22 ARG A 43 7.382 -16.705 -0.810 1.00 0.00 H new ATOM 643 N CYS A 44 4.327 -8.007 -2.492 1.00 0.00 N ATOM 644 CA CYS A 44 3.349 -6.874 -2.513 1.00 0.00 C ATOM 645 C CYS A 44 2.205 -7.161 -3.476 1.00 0.00 C ATOM 646 O CYS A 44 1.097 -6.729 -3.245 1.00 0.00 O ATOM 647 CB CYS A 44 4.005 -5.595 -2.962 1.00 0.00 C ATOM 648 SG CYS A 44 4.846 -4.871 -1.559 1.00 0.00 S ATOM 0 H CYS A 44 5.218 -7.815 -2.950 1.00 0.00 H new ATOM 0 HA CYS A 44 2.974 -6.767 -1.495 1.00 0.00 H new ATOM 0 HB2 CYS A 44 4.712 -5.794 -3.767 1.00 0.00 H new ATOM 0 HB3 CYS A 44 3.260 -4.904 -3.356 1.00 0.00 H new ATOM 653 N CYS A 45 2.468 -7.858 -4.564 1.00 0.00 N ATOM 654 CA CYS A 45 1.378 -8.158 -5.547 1.00 0.00 C ATOM 655 C CYS A 45 0.467 -9.230 -4.949 1.00 0.00 C ATOM 656 O CYS A 45 -0.708 -9.290 -5.264 1.00 0.00 O ATOM 657 CB CYS A 45 1.970 -8.672 -6.867 1.00 0.00 C ATOM 658 SG CYS A 45 2.586 -7.313 -7.916 1.00 0.00 S ATOM 0 H CYS A 45 3.386 -8.228 -4.809 1.00 0.00 H new ATOM 0 HA CYS A 45 0.815 -7.248 -5.751 1.00 0.00 H new ATOM 0 HB2 CYS A 45 2.785 -9.363 -6.654 1.00 0.00 H new ATOM 0 HB3 CYS A 45 1.210 -9.234 -7.411 1.00 0.00 H new ATOM 663 N ARG A 46 1.009 -10.076 -4.095 1.00 0.00 N ATOM 664 CA ARG A 46 0.197 -11.159 -3.465 1.00 0.00 C ATOM 665 C ARG A 46 -0.649 -10.581 -2.332 1.00 0.00 C ATOM 666 O ARG A 46 -1.770 -11.017 -2.112 1.00 0.00 O ATOM 667 CB ARG A 46 1.135 -12.228 -2.902 1.00 0.00 C ATOM 668 CG ARG A 46 0.381 -13.555 -2.775 1.00 0.00 C ATOM 669 CD ARG A 46 1.315 -14.621 -2.197 1.00 0.00 C ATOM 670 NE ARG A 46 2.354 -14.975 -3.205 1.00 0.00 N ATOM 671 CZ ARG A 46 3.240 -15.895 -2.933 1.00 0.00 C ATOM 672 NH1 ARG A 46 2.906 -17.156 -2.977 1.00 0.00 N ATOM 673 NH2 ARG A 46 4.459 -15.555 -2.614 1.00 0.00 N ATOM 0 H ARG A 46 1.988 -10.056 -3.810 1.00 0.00 H new ATOM 0 HA ARG A 46 -0.460 -11.600 -4.214 1.00 0.00 H new ATOM 0 HB2 ARG A 46 1.999 -12.350 -3.556 1.00 0.00 H new ATOM 0 HB3 ARG A 46 1.514 -11.918 -1.928 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -0.489 -13.431 -2.130 1.00 0.00 H new ATOM 0 HG3 ARG A 46 0.012 -13.870 -3.751 1.00 0.00 H new ATOM 0 HD2 ARG A 46 1.788 -14.250 -1.287 1.00 0.00 H new ATOM 0 HD3 ARG A 46 0.745 -15.508 -1.921 1.00 0.00 H new ATOM 0 HE ARG A 46 2.373 -14.499 -4.107 1.00 0.00 H new ATOM 0 HH11 ARG A 46 1.953 -17.423 -3.224 1.00 0.00 H new ATOM 0 HH12 ARG A 46 3.598 -17.875 -2.765 1.00 0.00 H new ATOM 0 HH21 ARG A 46 4.721 -14.570 -2.577 1.00 0.00 H new ATOM 0 HH22 ARG A 46 5.150 -16.274 -2.402 1.00 0.00 H new ATOM 687 N GLN A 47 -0.121 -9.607 -1.611 1.00 0.00 N ATOM 688 CA GLN A 47 -0.900 -9.004 -0.477 1.00 0.00 C ATOM 689 C GLN A 47 -1.943 -8.031 -1.034 1.00 0.00 C ATOM 690 O GLN A 47 -3.091 -7.999 -0.589 1.00 0.00 O ATOM 691 CB GLN A 47 0.050 -8.272 0.483 1.00 0.00 C ATOM 692 CG GLN A 47 0.930 -9.293 1.218 1.00 0.00 C ATOM 693 CD GLN A 47 1.004 -8.938 2.705 1.00 0.00 C ATOM 694 OE1 GLN A 47 0.045 -9.108 3.431 1.00 0.00 O ATOM 695 NE2 GLN A 47 2.111 -8.445 3.190 1.00 0.00 N ATOM 0 H GLN A 47 0.807 -9.210 -1.760 1.00 0.00 H new ATOM 0 HA GLN A 47 -1.408 -9.796 0.073 1.00 0.00 H new ATOM 0 HB2 GLN A 47 0.674 -7.572 -0.072 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -0.524 -7.687 1.202 1.00 0.00 H new ATOM 0 HG2 GLN A 47 0.521 -10.296 1.094 1.00 0.00 H new ATOM 0 HG3 GLN A 47 1.931 -9.302 0.786 1.00 0.00 H new ATOM 0 HE21 GLN A 47 2.916 -8.302 2.580 1.00 0.00 H new ATOM 0 HE22 GLN A 47 2.171 -8.202 4.179 1.00 0.00 H new ATOM 704 N LEU A 48 -1.542 -7.253 -2.013 1.00 0.00 N ATOM 705 CA LEU A 48 -2.453 -6.270 -2.642 1.00 0.00 C ATOM 706 C LEU A 48 -3.570 -7.023 -3.339 1.00 0.00 C ATOM 707 O LEU A 48 -4.706 -6.675 -3.174 1.00 0.00 O ATOM 708 CB LEU A 48 -1.676 -5.389 -3.639 1.00 0.00 C ATOM 709 CG LEU A 48 -2.629 -4.400 -4.330 1.00 0.00 C ATOM 710 CD1 LEU A 48 -1.960 -3.026 -4.434 1.00 0.00 C ATOM 711 CD2 LEU A 48 -2.967 -4.911 -5.736 1.00 0.00 C ATOM 0 H LEU A 48 -0.600 -7.266 -2.403 1.00 0.00 H new ATOM 0 HA LEU A 48 -2.880 -5.615 -1.883 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -0.890 -4.843 -3.117 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -1.187 -6.016 -4.385 1.00 0.00 H new ATOM 0 HG LEU A 48 -3.544 -4.313 -3.744 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -2.638 -2.327 -4.924 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -1.722 -2.661 -3.435 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -1.043 -3.111 -5.017 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -3.643 -4.210 -6.225 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -2.051 -5.001 -6.320 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -3.448 -5.887 -5.663 1.00 0.00 H new ATOM 723 N GLU A 49 -3.264 -8.070 -4.079 1.00 0.00 N ATOM 724 CA GLU A 49 -4.348 -8.853 -4.749 1.00 0.00 C ATOM 725 C GLU A 49 -5.144 -9.585 -3.659 1.00 0.00 C ATOM 726 O GLU A 49 -6.325 -9.842 -3.816 1.00 0.00 O ATOM 727 CB GLU A 49 -3.735 -9.870 -5.717 1.00 0.00 C ATOM 728 CG GLU A 49 -4.636 -10.027 -6.950 1.00 0.00 C ATOM 729 CD GLU A 49 -5.165 -11.462 -7.031 1.00 0.00 C ATOM 730 OE1 GLU A 49 -4.353 -12.369 -7.107 1.00 0.00 O ATOM 731 OE2 GLU A 49 -6.374 -11.629 -7.015 1.00 0.00 O ATOM 0 H GLU A 49 -2.317 -8.410 -4.244 1.00 0.00 H new ATOM 0 HA GLU A 49 -5.001 -8.189 -5.315 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -2.741 -9.542 -6.022 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -3.614 -10.832 -5.219 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -5.469 -9.326 -6.894 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -4.076 -9.785 -7.853 1.00 0.00 H new ATOM 738 N ALA A 50 -4.494 -9.909 -2.545 1.00 0.00 N ATOM 739 CA ALA A 50 -5.186 -10.613 -1.414 1.00 0.00 C ATOM 740 C ALA A 50 -6.417 -9.802 -0.986 1.00 0.00 C ATOM 741 O ALA A 50 -7.534 -10.281 -1.079 1.00 0.00 O ATOM 742 CB ALA A 50 -4.217 -10.757 -0.234 1.00 0.00 C ATOM 0 H ALA A 50 -3.507 -9.710 -2.380 1.00 0.00 H new ATOM 0 HA ALA A 50 -5.505 -11.604 -1.737 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -4.718 -11.268 0.588 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -3.348 -11.336 -0.546 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -3.895 -9.769 0.095 1.00 0.00 H new ATOM 748 N ILE A 51 -6.217 -8.567 -0.552 1.00 0.00 N ATOM 749 CA ILE A 51 -7.380 -7.692 -0.148 1.00 0.00 C ATOM 750 C ILE A 51 -8.313 -7.557 -1.371 1.00 0.00 C ATOM 751 O ILE A 51 -7.966 -6.869 -2.288 1.00 0.00 O ATOM 752 CB ILE A 51 -6.864 -6.310 0.269 1.00 0.00 C ATOM 753 CG1 ILE A 51 -5.828 -6.459 1.402 1.00 0.00 C ATOM 754 CG2 ILE A 51 -8.042 -5.460 0.757 1.00 0.00 C ATOM 755 CD1 ILE A 51 -4.485 -5.868 0.963 1.00 0.00 C ATOM 0 H ILE A 51 -5.300 -8.130 -0.461 1.00 0.00 H new ATOM 0 HA ILE A 51 -7.917 -8.130 0.694 1.00 0.00 H new ATOM 0 HB ILE A 51 -6.390 -5.825 -0.585 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -6.182 -5.952 2.299 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -5.706 -7.511 1.658 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -7.681 -4.476 1.055 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -8.770 -5.352 -0.047 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -8.514 -5.947 1.610 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -3.759 -5.977 1.768 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -4.127 -6.395 0.078 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -4.612 -4.811 0.729 1.00 0.00 H new ATOM 767 N PRO A 52 -9.443 -8.249 -1.400 1.00 0.00 N ATOM 768 CA PRO A 52 -10.332 -8.242 -2.593 1.00 0.00 C ATOM 769 C PRO A 52 -10.652 -6.830 -3.096 1.00 0.00 C ATOM 770 O PRO A 52 -10.736 -5.890 -2.339 1.00 0.00 O ATOM 771 CB PRO A 52 -11.550 -9.064 -2.151 1.00 0.00 C ATOM 772 CG PRO A 52 -11.501 -9.096 -0.609 1.00 0.00 C ATOM 773 CD PRO A 52 -10.003 -8.999 -0.253 1.00 0.00 C ATOM 0 HA PRO A 52 -9.864 -8.682 -3.473 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -12.476 -8.610 -2.503 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -11.512 -10.072 -2.564 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -12.063 -8.267 -0.179 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -11.940 -10.014 -0.219 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -9.844 -8.475 0.690 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -9.546 -9.984 -0.151 1.00 0.00 H new ATOM 781 N ALA A 53 -10.762 -6.715 -4.416 1.00 0.00 N ATOM 782 CA ALA A 53 -11.019 -5.410 -5.140 1.00 0.00 C ATOM 783 C ALA A 53 -11.681 -4.338 -4.263 1.00 0.00 C ATOM 784 O ALA A 53 -11.252 -3.195 -4.262 1.00 0.00 O ATOM 785 CB ALA A 53 -11.900 -5.684 -6.354 1.00 0.00 C ATOM 0 H ALA A 53 -10.679 -7.513 -5.046 1.00 0.00 H new ATOM 0 HA ALA A 53 -10.047 -5.013 -5.433 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -12.091 -4.750 -6.883 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -11.394 -6.382 -7.021 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -12.846 -6.116 -6.027 1.00 0.00 H new ATOM 791 N TYR A 54 -12.706 -4.691 -3.520 1.00 0.00 N ATOM 792 CA TYR A 54 -13.383 -3.688 -2.636 1.00 0.00 C ATOM 793 C TYR A 54 -12.371 -3.203 -1.593 1.00 0.00 C ATOM 794 O TYR A 54 -11.610 -3.992 -1.063 1.00 0.00 O ATOM 795 CB TYR A 54 -14.579 -4.340 -1.939 1.00 0.00 C ATOM 796 CG TYR A 54 -15.811 -4.172 -2.796 1.00 0.00 C ATOM 797 CD1 TYR A 54 -16.398 -2.908 -2.938 1.00 0.00 C ATOM 798 CD2 TYR A 54 -16.366 -5.278 -3.452 1.00 0.00 C ATOM 799 CE1 TYR A 54 -17.538 -2.751 -3.734 1.00 0.00 C ATOM 800 CE2 TYR A 54 -17.506 -5.119 -4.250 1.00 0.00 C ATOM 801 CZ TYR A 54 -18.092 -3.856 -4.390 1.00 0.00 C ATOM 802 OH TYR A 54 -19.214 -3.700 -5.177 1.00 0.00 O ATOM 0 H TYR A 54 -13.102 -5.630 -3.488 1.00 0.00 H new ATOM 0 HA TYR A 54 -13.741 -2.845 -3.227 1.00 0.00 H new ATOM 0 HB2 TYR A 54 -14.382 -5.399 -1.769 1.00 0.00 H new ATOM 0 HB3 TYR A 54 -14.737 -3.884 -0.962 1.00 0.00 H new ATOM 0 HD1 TYR A 54 -15.971 -2.054 -2.433 1.00 0.00 H new ATOM 0 HD2 TYR A 54 -15.915 -6.253 -3.343 1.00 0.00 H new ATOM 0 HE1 TYR A 54 -17.991 -1.776 -3.842 1.00 0.00 H new ATOM 0 HE2 TYR A 54 -17.933 -5.971 -4.757 1.00 0.00 H new ATOM 0 HH TYR A 54 -19.468 -4.566 -5.560 1.00 0.00 H new ATOM 812 N CYS A 55 -12.349 -1.914 -1.312 1.00 0.00 N ATOM 813 CA CYS A 55 -11.378 -1.362 -0.311 1.00 0.00 C ATOM 814 C CYS A 55 -9.922 -1.615 -0.794 1.00 0.00 C ATOM 815 O CYS A 55 -9.010 -1.643 0.014 1.00 0.00 O ATOM 816 CB CYS A 55 -11.600 -2.051 1.052 1.00 0.00 C ATOM 817 SG CYS A 55 -13.008 -1.288 1.898 1.00 0.00 S ATOM 0 H CYS A 55 -12.966 -1.221 -1.737 1.00 0.00 H new ATOM 0 HA CYS A 55 -11.538 -0.289 -0.207 1.00 0.00 H new ATOM 0 HB2 CYS A 55 -11.784 -3.116 0.907 1.00 0.00 H new ATOM 0 HB3 CYS A 55 -10.703 -1.963 1.665 1.00 0.00 H new ATOM 822 N ARG A 56 -9.694 -1.808 -2.103 1.00 0.00 N ATOM 823 CA ARG A 56 -8.296 -2.066 -2.632 1.00 0.00 C ATOM 824 C ARG A 56 -7.275 -1.087 -1.988 1.00 0.00 C ATOM 825 O ARG A 56 -6.728 -1.380 -0.939 1.00 0.00 O ATOM 826 CB ARG A 56 -8.287 -1.901 -4.168 1.00 0.00 C ATOM 827 CG ARG A 56 -8.560 -3.243 -4.862 1.00 0.00 C ATOM 828 CD ARG A 56 -7.360 -3.657 -5.727 1.00 0.00 C ATOM 829 NE ARG A 56 -7.187 -5.143 -5.652 1.00 0.00 N ATOM 830 CZ ARG A 56 -6.880 -5.731 -4.535 1.00 0.00 C ATOM 831 NH1 ARG A 56 -6.612 -5.030 -3.444 1.00 0.00 N ATOM 832 NH2 ARG A 56 -6.843 -7.039 -4.529 1.00 0.00 N ATOM 0 H ARG A 56 -10.422 -1.796 -2.818 1.00 0.00 H new ATOM 0 HA ARG A 56 -8.005 -3.084 -2.372 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -9.042 -1.173 -4.464 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -7.322 -1.509 -4.491 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -8.759 -4.011 -4.115 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -9.452 -3.163 -5.483 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -7.518 -3.349 -6.761 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -6.456 -3.156 -5.380 1.00 0.00 H new ATOM 0 HE ARG A 56 -7.313 -5.704 -6.494 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -6.645 -4.011 -3.472 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -6.373 -5.509 -2.576 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -7.051 -7.559 -5.381 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -6.606 -7.539 -3.672 1.00 0.00 H new ATOM 846 N CYS A 57 -7.001 0.047 -2.625 1.00 0.00 N ATOM 847 CA CYS A 57 -6.002 1.044 -2.088 1.00 0.00 C ATOM 848 C CYS A 57 -6.033 1.230 -0.546 1.00 0.00 C ATOM 849 O CYS A 57 -5.042 1.688 -0.004 1.00 0.00 O ATOM 850 CB CYS A 57 -6.251 2.386 -2.768 1.00 0.00 C ATOM 851 SG CYS A 57 -5.934 2.195 -4.537 1.00 0.00 S ATOM 0 H CYS A 57 -7.436 0.322 -3.506 1.00 0.00 H new ATOM 0 HA CYS A 57 -5.012 0.646 -2.312 1.00 0.00 H new ATOM 0 HB2 CYS A 57 -7.277 2.712 -2.599 1.00 0.00 H new ATOM 0 HB3 CYS A 57 -5.600 3.152 -2.346 1.00 0.00 H new ATOM 856 N GLU A 58 -7.126 0.918 0.165 1.00 0.00 N ATOM 857 CA GLU A 58 -7.174 1.109 1.664 1.00 0.00 C ATOM 858 C GLU A 58 -5.841 0.736 2.343 1.00 0.00 C ATOM 859 O GLU A 58 -5.346 1.489 3.153 1.00 0.00 O ATOM 860 CB GLU A 58 -8.290 0.244 2.252 1.00 0.00 C ATOM 861 CG GLU A 58 -9.655 0.814 1.843 1.00 0.00 C ATOM 862 CD GLU A 58 -10.304 1.518 3.038 1.00 0.00 C ATOM 863 OE1 GLU A 58 -9.735 2.486 3.513 1.00 0.00 O ATOM 864 OE2 GLU A 58 -11.361 1.078 3.458 1.00 0.00 O ATOM 0 H GLU A 58 -7.982 0.539 -0.241 1.00 0.00 H new ATOM 0 HA GLU A 58 -7.363 2.166 1.853 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -8.193 -0.782 1.898 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -8.207 0.216 3.339 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -9.533 1.516 1.018 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -10.302 0.012 1.487 1.00 0.00 H new ATOM 871 N ALA A 59 -5.267 -0.416 2.023 1.00 0.00 N ATOM 872 CA ALA A 59 -3.963 -0.850 2.648 1.00 0.00 C ATOM 873 C ALA A 59 -2.950 0.304 2.691 1.00 0.00 C ATOM 874 O ALA A 59 -2.472 0.682 3.754 1.00 0.00 O ATOM 875 CB ALA A 59 -3.381 -2.009 1.833 1.00 0.00 C ATOM 0 H ALA A 59 -5.653 -1.077 1.349 1.00 0.00 H new ATOM 0 HA ALA A 59 -4.159 -1.165 3.673 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -2.439 -2.329 2.277 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -4.084 -2.842 1.833 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -3.206 -1.681 0.808 1.00 0.00 H new ATOM 881 N VAL A 60 -2.634 0.860 1.544 1.00 0.00 N ATOM 882 CA VAL A 60 -1.657 2.001 1.463 1.00 0.00 C ATOM 883 C VAL A 60 -2.022 3.069 2.503 1.00 0.00 C ATOM 884 O VAL A 60 -1.158 3.616 3.180 1.00 0.00 O ATOM 885 CB VAL A 60 -1.710 2.613 0.060 1.00 0.00 C ATOM 886 CG1 VAL A 60 -0.640 3.701 -0.066 1.00 0.00 C ATOM 887 CG2 VAL A 60 -1.450 1.523 -0.982 1.00 0.00 C ATOM 0 H VAL A 60 -3.017 0.568 0.645 1.00 0.00 H new ATOM 0 HA VAL A 60 -0.651 1.633 1.664 1.00 0.00 H new ATOM 0 HB VAL A 60 -2.694 3.050 -0.107 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -0.679 4.136 -1.065 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -0.823 4.479 0.675 1.00 0.00 H new ATOM 0 HG13 VAL A 60 0.345 3.264 0.102 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -1.488 1.958 -1.981 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -0.466 1.086 -0.813 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -2.211 0.748 -0.895 1.00 0.00 H new ATOM 897 N ARG A 61 -3.304 3.347 2.637 1.00 0.00 N ATOM 898 CA ARG A 61 -3.767 4.361 3.635 1.00 0.00 C ATOM 899 C ARG A 61 -3.345 3.916 5.033 1.00 0.00 C ATOM 900 O ARG A 61 -2.557 4.563 5.667 1.00 0.00 O ATOM 901 CB ARG A 61 -5.292 4.494 3.586 1.00 0.00 C ATOM 902 CG ARG A 61 -5.726 4.888 2.174 1.00 0.00 C ATOM 903 CD ARG A 61 -6.961 5.787 2.251 1.00 0.00 C ATOM 904 NE ARG A 61 -6.659 6.978 3.095 1.00 0.00 N ATOM 905 CZ ARG A 61 -6.145 8.048 2.554 1.00 0.00 C ATOM 906 NH1 ARG A 61 -6.927 8.968 2.060 1.00 0.00 N ATOM 907 NH2 ARG A 61 -4.850 8.199 2.510 1.00 0.00 N ATOM 0 H ARG A 61 -4.048 2.910 2.093 1.00 0.00 H new ATOM 0 HA ARG A 61 -3.319 5.326 3.398 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -5.759 3.551 3.871 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -5.625 5.245 4.303 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -4.915 5.409 1.665 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -5.949 3.996 1.588 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -7.257 6.103 1.251 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -7.801 5.234 2.672 1.00 0.00 H new ATOM 0 HE ARG A 61 -6.854 6.956 4.096 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -7.940 8.850 2.097 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -6.526 9.805 1.637 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -4.239 7.480 2.899 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -4.448 9.036 2.087 1.00 0.00 H new ATOM 921 N ILE A 62 -3.864 2.806 5.502 1.00 0.00 N ATOM 922 CA ILE A 62 -3.514 2.278 6.864 1.00 0.00 C ATOM 923 C ILE A 62 -2.003 2.315 7.105 1.00 0.00 C ATOM 924 O ILE A 62 -1.573 2.394 8.242 1.00 0.00 O ATOM 925 CB ILE A 62 -4.024 0.828 6.958 1.00 0.00 C ATOM 926 CG1 ILE A 62 -5.563 0.812 6.879 1.00 0.00 C ATOM 927 CG2 ILE A 62 -3.554 0.160 8.258 1.00 0.00 C ATOM 928 CD1 ILE A 62 -6.177 1.679 7.988 1.00 0.00 C ATOM 0 H ILE A 62 -4.530 2.230 4.988 1.00 0.00 H new ATOM 0 HA ILE A 62 -3.982 2.903 7.625 1.00 0.00 H new ATOM 0 HB ILE A 62 -3.613 0.263 6.122 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -5.885 1.179 5.904 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -5.925 -0.212 6.970 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -3.929 -0.863 8.298 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -2.464 0.149 8.288 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -3.935 0.719 9.113 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -7.264 1.652 7.911 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -5.872 1.294 8.961 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -5.831 2.707 7.880 1.00 0.00 H new ATOM 940 N LEU A 63 -1.206 2.246 6.067 1.00 0.00 N ATOM 941 CA LEU A 63 0.269 2.273 6.279 1.00 0.00 C ATOM 942 C LEU A 63 0.724 3.705 6.550 1.00 0.00 C ATOM 943 O LEU A 63 1.526 3.937 7.441 1.00 0.00 O ATOM 944 CB LEU A 63 0.988 1.676 5.052 1.00 0.00 C ATOM 945 CG LEU A 63 2.508 1.503 5.289 1.00 0.00 C ATOM 946 CD1 LEU A 63 3.209 2.856 5.176 1.00 0.00 C ATOM 947 CD2 LEU A 63 2.791 0.899 6.674 1.00 0.00 C ATOM 0 H LEU A 63 -1.510 2.173 5.096 1.00 0.00 H new ATOM 0 HA LEU A 63 0.526 1.665 7.146 1.00 0.00 H new ATOM 0 HB2 LEU A 63 0.548 0.709 4.811 1.00 0.00 H new ATOM 0 HB3 LEU A 63 0.828 2.323 4.189 1.00 0.00 H new ATOM 0 HG LEU A 63 2.890 0.822 4.529 1.00 0.00 H new ATOM 0 HD11 LEU A 63 4.278 2.727 5.344 1.00 0.00 H new ATOM 0 HD12 LEU A 63 3.045 3.269 4.181 1.00 0.00 H new ATOM 0 HD13 LEU A 63 2.804 3.539 5.923 1.00 0.00 H new ATOM 0 HD21 LEU A 63 3.867 0.790 6.810 1.00 0.00 H new ATOM 0 HD22 LEU A 63 2.392 1.557 7.446 1.00 0.00 H new ATOM 0 HD23 LEU A 63 2.315 -0.079 6.749 1.00 0.00 H new ATOM 959 N MET A 64 0.222 4.657 5.798 1.00 0.00 N ATOM 960 CA MET A 64 0.627 6.081 6.015 1.00 0.00 C ATOM 961 C MET A 64 -0.101 6.671 7.236 1.00 0.00 C ATOM 962 O MET A 64 0.526 7.214 8.131 1.00 0.00 O ATOM 963 CB MET A 64 0.285 6.906 4.767 1.00 0.00 C ATOM 964 CG MET A 64 1.022 8.244 4.828 1.00 0.00 C ATOM 965 SD MET A 64 -0.079 9.507 5.514 1.00 0.00 S ATOM 966 CE MET A 64 1.164 10.382 6.494 1.00 0.00 C ATOM 0 H MET A 64 -0.450 4.508 5.045 1.00 0.00 H new ATOM 0 HA MET A 64 1.701 6.115 6.198 1.00 0.00 H new ATOM 0 HB2 MET A 64 0.571 6.361 3.867 1.00 0.00 H new ATOM 0 HB3 MET A 64 -0.791 7.073 4.711 1.00 0.00 H new ATOM 0 HG2 MET A 64 1.916 8.151 5.445 1.00 0.00 H new ATOM 0 HG3 MET A 64 1.352 8.536 3.831 1.00 0.00 H new ATOM 0 HE1 MET A 64 0.968 10.224 7.555 1.00 0.00 H new ATOM 0 HE2 MET A 64 2.155 10.002 6.247 1.00 0.00 H new ATOM 0 HE3 MET A 64 1.118 11.448 6.271 1.00 0.00 H new ATOM 976 N ASP A 65 -1.416 6.578 7.260 1.00 0.00 N ATOM 977 CA ASP A 65 -2.223 7.137 8.391 1.00 0.00 C ATOM 978 C ASP A 65 -2.210 6.189 9.598 1.00 0.00 C ATOM 979 O ASP A 65 -2.474 6.619 10.710 1.00 0.00 O ATOM 980 CB ASP A 65 -3.675 7.462 7.949 1.00 0.00 C ATOM 981 CG ASP A 65 -3.670 8.766 7.147 1.00 0.00 C ATOM 982 OD1 ASP A 65 -3.297 8.722 5.987 1.00 0.00 O ATOM 983 OD2 ASP A 65 -4.038 9.784 7.708 1.00 0.00 O ATOM 0 H ASP A 65 -1.969 6.130 6.529 1.00 0.00 H new ATOM 0 HA ASP A 65 -1.757 8.074 8.695 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -4.075 6.649 7.344 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -4.322 7.558 8.821 1.00 0.00 H new ATOM 988 N GLY A 66 -1.936 4.906 9.395 1.00 0.00 N ATOM 989 CA GLY A 66 -1.945 3.946 10.543 1.00 0.00 C ATOM 990 C GLY A 66 -3.387 3.491 10.813 1.00 0.00 C ATOM 991 O GLY A 66 -4.336 4.193 10.504 1.00 0.00 O ATOM 0 H GLY A 66 -1.710 4.496 8.489 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -1.316 3.085 10.317 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -1.529 4.420 11.432 1.00 0.00 H new ATOM 995 N VAL A 67 -3.539 2.317 11.383 1.00 0.00 N ATOM 996 CA VAL A 67 -4.901 1.754 11.692 1.00 0.00 C ATOM 997 C VAL A 67 -5.049 1.573 13.203 1.00 0.00 C ATOM 998 O VAL A 67 -4.076 1.488 13.929 1.00 0.00 O ATOM 999 CB VAL A 67 -5.079 0.394 10.991 1.00 0.00 C ATOM 1000 CG1 VAL A 67 -3.864 -0.494 11.270 1.00 0.00 C ATOM 1001 CG2 VAL A 67 -6.354 -0.318 11.479 1.00 0.00 C ATOM 0 H VAL A 67 -2.763 1.712 11.653 1.00 0.00 H new ATOM 0 HA VAL A 67 -5.663 2.445 11.331 1.00 0.00 H new ATOM 0 HB VAL A 67 -5.170 0.573 9.920 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -3.994 -1.455 10.772 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -2.964 -0.008 10.892 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -3.768 -0.652 12.344 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -6.455 -1.275 10.968 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -6.288 -0.486 12.554 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -7.223 0.303 11.261 1.00 0.00 H new ATOM 1011 N VAL A 68 -6.279 1.507 13.661 1.00 0.00 N ATOM 1012 CA VAL A 68 -6.553 1.320 15.112 1.00 0.00 C ATOM 1013 C VAL A 68 -7.252 -0.026 15.302 1.00 0.00 C ATOM 1014 O VAL A 68 -7.830 -0.582 14.383 1.00 0.00 O ATOM 1015 CB VAL A 68 -7.419 2.476 15.643 1.00 0.00 C ATOM 1016 CG1 VAL A 68 -7.902 2.179 17.073 1.00 0.00 C ATOM 1017 CG2 VAL A 68 -6.575 3.749 15.665 1.00 0.00 C ATOM 0 H VAL A 68 -7.112 1.577 13.077 1.00 0.00 H new ATOM 0 HA VAL A 68 -5.620 1.324 15.676 1.00 0.00 H new ATOM 0 HB VAL A 68 -8.287 2.596 14.994 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -8.513 3.008 17.430 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -8.495 1.265 17.074 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -7.041 2.053 17.729 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -7.176 4.578 16.039 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -5.713 3.603 16.316 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -6.233 3.976 14.655 1.00 0.00 H new ATOM 1027 N THR A 69 -7.145 -0.549 16.492 1.00 0.00 N ATOM 1028 CA THR A 69 -7.721 -1.876 16.830 1.00 0.00 C ATOM 1029 C THR A 69 -8.783 -1.710 17.911 1.00 0.00 C ATOM 1030 O THR A 69 -8.833 -0.706 18.596 1.00 0.00 O ATOM 1031 CB THR A 69 -6.608 -2.808 17.316 1.00 0.00 C ATOM 1032 OG1 THR A 69 -5.826 -2.143 18.292 1.00 0.00 O ATOM 1033 CG2 THR A 69 -5.720 -3.195 16.134 1.00 0.00 C ATOM 0 H THR A 69 -6.665 -0.093 17.268 1.00 0.00 H new ATOM 0 HA THR A 69 -8.184 -2.312 15.945 1.00 0.00 H new ATOM 0 HB THR A 69 -7.049 -3.704 17.752 1.00 0.00 H new ATOM 0 HG1 THR A 69 -5.300 -1.436 17.864 1.00 0.00 H new ATOM 0 HG21 THR A 69 -4.926 -3.859 16.477 1.00 0.00 H new ATOM 0 HG22 THR A 69 -6.320 -3.706 15.380 1.00 0.00 H new ATOM 0 HG23 THR A 69 -5.280 -2.297 15.700 1.00 0.00 H new ATOM 1041 N SER A 70 -9.650 -2.682 18.017 1.00 0.00 N ATOM 1042 CA SER A 70 -10.764 -2.644 19.013 1.00 0.00 C ATOM 1043 C SER A 70 -10.201 -2.598 20.431 1.00 0.00 C ATOM 1044 O SER A 70 -10.782 -2.003 21.323 1.00 0.00 O ATOM 1045 CB SER A 70 -11.617 -3.899 18.842 1.00 0.00 C ATOM 1046 OG SER A 70 -12.708 -3.853 19.753 1.00 0.00 O ATOM 0 H SER A 70 -9.632 -3.523 17.440 1.00 0.00 H new ATOM 0 HA SER A 70 -11.370 -1.753 18.849 1.00 0.00 H new ATOM 0 HB2 SER A 70 -11.986 -3.966 17.818 1.00 0.00 H new ATOM 0 HB3 SER A 70 -11.015 -4.789 19.022 1.00 0.00 H new ATOM 0 HG SER A 70 -13.259 -4.656 19.645 1.00 0.00 H new ATOM 1052 N SER A 71 -9.076 -3.229 20.624 1.00 0.00 N ATOM 1053 CA SER A 71 -8.417 -3.262 21.967 1.00 0.00 C ATOM 1054 C SER A 71 -7.959 -1.853 22.369 1.00 0.00 C ATOM 1055 O SER A 71 -7.707 -1.595 23.534 1.00 0.00 O ATOM 1056 CB SER A 71 -7.205 -4.191 21.911 1.00 0.00 C ATOM 1057 OG SER A 71 -6.487 -3.955 20.706 1.00 0.00 O ATOM 0 H SER A 71 -8.573 -3.734 19.894 1.00 0.00 H new ATOM 0 HA SER A 71 -9.132 -3.626 22.705 1.00 0.00 H new ATOM 0 HB2 SER A 71 -6.560 -4.018 22.772 1.00 0.00 H new ATOM 0 HB3 SER A 71 -7.527 -5.231 21.958 1.00 0.00 H new ATOM 0 HG SER A 71 -5.708 -4.548 20.668 1.00 0.00 H new ATOM 1063 N GLY A 72 -7.840 -0.952 21.412 1.00 0.00 N ATOM 1064 CA GLY A 72 -7.387 0.442 21.716 1.00 0.00 C ATOM 1065 C GLY A 72 -5.899 0.592 21.345 1.00 0.00 C ATOM 1066 O GLY A 72 -5.250 1.527 21.787 1.00 0.00 O ATOM 0 H GLY A 72 -8.040 -1.130 20.428 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -7.986 1.160 21.157 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -7.533 0.660 22.774 1.00 0.00 H new ATOM 1070 N GLN A 73 -5.353 -0.322 20.548 1.00 0.00 N ATOM 1071 CA GLN A 73 -3.904 -0.233 20.159 1.00 0.00 C ATOM 1072 C GLN A 73 -3.790 0.217 18.701 1.00 0.00 C ATOM 1073 O GLN A 73 -4.711 0.047 17.935 1.00 0.00 O ATOM 1074 CB GLN A 73 -3.244 -1.605 20.328 1.00 0.00 C ATOM 1075 CG GLN A 73 -3.529 -2.153 21.736 1.00 0.00 C ATOM 1076 CD GLN A 73 -2.217 -2.318 22.507 1.00 0.00 C ATOM 1077 OE1 GLN A 73 -1.806 -1.431 23.228 1.00 0.00 O ATOM 1078 NE2 GLN A 73 -1.539 -3.425 22.382 1.00 0.00 N ATOM 0 H GLN A 73 -5.854 -1.119 20.156 1.00 0.00 H new ATOM 0 HA GLN A 73 -3.401 0.492 20.799 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -3.624 -2.296 19.576 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -2.168 -1.523 20.171 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -4.193 -1.475 22.272 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -4.042 -3.112 21.665 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -1.885 -4.169 21.776 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -0.663 -3.547 22.890 1.00 0.00 H new ATOM 1087 N HIS A 74 -2.668 0.790 18.315 1.00 0.00 N ATOM 1088 CA HIS A 74 -2.492 1.258 16.909 1.00 0.00 C ATOM 1089 C HIS A 74 -1.370 0.460 16.253 1.00 0.00 C ATOM 1090 O HIS A 74 -0.475 -0.028 16.926 1.00 0.00 O ATOM 1091 CB HIS A 74 -2.078 2.722 16.912 1.00 0.00 C ATOM 1092 CG HIS A 74 -3.252 3.616 17.215 1.00 0.00 C ATOM 1093 ND1 HIS A 74 -3.422 4.839 16.583 1.00 0.00 N ATOM 1094 CD2 HIS A 74 -4.307 3.495 18.085 1.00 0.00 C ATOM 1095 CE1 HIS A 74 -4.540 5.399 17.078 1.00 0.00 C ATOM 1096 NE2 HIS A 74 -5.118 4.622 17.997 1.00 0.00 N ATOM 0 H HIS A 74 -1.865 0.951 18.923 1.00 0.00 H new ATOM 0 HA HIS A 74 -3.429 1.126 16.368 1.00 0.00 H new ATOM 0 HB2 HIS A 74 -1.295 2.880 17.654 1.00 0.00 H new ATOM 0 HB3 HIS A 74 -1.656 2.986 15.942 1.00 0.00 H new ATOM 0 HD2 HIS A 74 -4.481 2.653 18.738 1.00 0.00 H new ATOM 0 HE1 HIS A 74 -4.924 6.360 16.770 1.00 0.00 H new ATOM 0 HE2 HIS A 74 -5.971 4.814 18.522 1.00 0.00 H new ATOM 1104 N GLU A 75 -1.411 0.342 14.943 1.00 0.00 N ATOM 1105 CA GLU A 75 -0.353 -0.411 14.198 1.00 0.00 C ATOM 1106 C GLU A 75 -0.017 0.316 12.899 1.00 0.00 C ATOM 1107 O GLU A 75 -0.503 1.407 12.644 1.00 0.00 O ATOM 1108 CB GLU A 75 -0.834 -1.832 13.878 1.00 0.00 C ATOM 1109 CG GLU A 75 -1.192 -2.584 15.171 1.00 0.00 C ATOM 1110 CD GLU A 75 -0.412 -3.900 15.242 1.00 0.00 C ATOM 1111 OE1 GLU A 75 -0.737 -4.801 14.486 1.00 0.00 O ATOM 1112 OE2 GLU A 75 0.499 -3.983 16.049 1.00 0.00 O ATOM 0 H GLU A 75 -2.142 0.741 14.355 1.00 0.00 H new ATOM 0 HA GLU A 75 0.538 -0.470 14.824 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -1.704 -1.789 13.223 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -0.056 -2.373 13.339 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -0.959 -1.966 16.038 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -2.263 -2.784 15.201 1.00 0.00 H new ATOM 1119 N GLY A 76 0.829 -0.286 12.087 1.00 0.00 N ATOM 1120 CA GLY A 76 1.246 0.340 10.793 1.00 0.00 C ATOM 1121 C GLY A 76 1.839 1.724 11.069 1.00 0.00 C ATOM 1122 O GLY A 76 2.533 1.922 12.054 1.00 0.00 O ATOM 0 H GLY A 76 1.251 -1.196 12.273 1.00 0.00 H new ATOM 0 HA2 GLY A 76 1.981 -0.290 10.291 1.00 0.00 H new ATOM 0 HA3 GLY A 76 0.389 0.425 10.124 1.00 0.00 H new ATOM 1126 N ARG A 77 1.551 2.676 10.213 1.00 0.00 N ATOM 1127 CA ARG A 77 2.061 4.076 10.399 1.00 0.00 C ATOM 1128 C ARG A 77 3.597 4.077 10.552 1.00 0.00 C ATOM 1129 O ARG A 77 4.164 4.983 11.144 1.00 0.00 O ATOM 1130 CB ARG A 77 1.420 4.675 11.657 1.00 0.00 C ATOM 1131 CG ARG A 77 1.110 6.155 11.419 1.00 0.00 C ATOM 1132 CD ARG A 77 0.721 6.815 12.743 1.00 0.00 C ATOM 1133 NE ARG A 77 1.855 6.709 13.705 1.00 0.00 N ATOM 1134 CZ ARG A 77 1.718 7.151 14.926 1.00 0.00 C ATOM 1135 NH1 ARG A 77 0.865 6.581 15.733 1.00 0.00 N ATOM 1136 NH2 ARG A 77 2.429 8.163 15.338 1.00 0.00 N ATOM 0 H ARG A 77 0.976 2.542 9.381 1.00 0.00 H new ATOM 0 HA ARG A 77 1.800 4.671 9.524 1.00 0.00 H new ATOM 0 HB2 ARG A 77 0.505 4.136 11.903 1.00 0.00 H new ATOM 0 HB3 ARG A 77 2.093 4.566 12.508 1.00 0.00 H new ATOM 0 HG2 ARG A 77 1.979 6.655 10.993 1.00 0.00 H new ATOM 0 HG3 ARG A 77 0.299 6.256 10.698 1.00 0.00 H new ATOM 0 HD2 ARG A 77 0.467 7.862 12.578 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -0.165 6.333 13.155 1.00 0.00 H new ATOM 0 HE ARG A 77 2.737 6.291 13.410 1.00 0.00 H new ATOM 0 HH11 ARG A 77 0.306 5.791 15.410 1.00 0.00 H new ATOM 0 HH12 ARG A 77 0.757 6.925 16.687 1.00 0.00 H new ATOM 0 HH21 ARG A 77 3.093 8.610 14.706 1.00 0.00 H new ATOM 0 HH22 ARG A 77 2.321 8.507 16.292 1.00 0.00 H new ATOM 1150 N LEU A 78 4.266 3.066 10.025 1.00 0.00 N ATOM 1151 CA LEU A 78 5.758 2.986 10.135 1.00 0.00 C ATOM 1152 C LEU A 78 6.421 3.916 9.107 1.00 0.00 C ATOM 1153 O LEU A 78 7.581 4.266 9.253 1.00 0.00 O ATOM 1154 CB LEU A 78 6.204 1.540 9.891 1.00 0.00 C ATOM 1155 CG LEU A 78 5.480 0.607 10.872 1.00 0.00 C ATOM 1156 CD1 LEU A 78 5.070 -0.678 10.149 1.00 0.00 C ATOM 1157 CD2 LEU A 78 6.410 0.266 12.042 1.00 0.00 C ATOM 0 H LEU A 78 3.834 2.291 9.522 1.00 0.00 H new ATOM 0 HA LEU A 78 6.061 3.301 11.133 1.00 0.00 H new ATOM 0 HB2 LEU A 78 5.982 1.248 8.864 1.00 0.00 H new ATOM 0 HB3 LEU A 78 7.283 1.454 10.021 1.00 0.00 H new ATOM 0 HG LEU A 78 4.590 1.106 11.255 1.00 0.00 H new ATOM 0 HD11 LEU A 78 4.556 -1.340 10.846 1.00 0.00 H new ATOM 0 HD12 LEU A 78 4.403 -0.433 9.322 1.00 0.00 H new ATOM 0 HD13 LEU A 78 5.958 -1.177 9.763 1.00 0.00 H new ATOM 0 HD21 LEU A 78 5.893 -0.396 12.736 1.00 0.00 H new ATOM 0 HD22 LEU A 78 7.304 -0.231 11.664 1.00 0.00 H new ATOM 0 HD23 LEU A 78 6.695 1.182 12.559 1.00 0.00 H new ATOM 1169 N LEU A 79 5.696 4.321 8.074 1.00 0.00 N ATOM 1170 CA LEU A 79 6.272 5.232 7.031 1.00 0.00 C ATOM 1171 C LEU A 79 6.882 6.473 7.697 1.00 0.00 C ATOM 1172 O LEU A 79 6.192 7.440 7.985 1.00 0.00 O ATOM 1173 CB LEU A 79 5.164 5.660 6.065 1.00 0.00 C ATOM 1174 CG LEU A 79 5.772 6.010 4.706 1.00 0.00 C ATOM 1175 CD1 LEU A 79 6.073 4.720 3.937 1.00 0.00 C ATOM 1176 CD2 LEU A 79 4.782 6.869 3.907 1.00 0.00 C ATOM 0 H LEU A 79 4.725 4.053 7.915 1.00 0.00 H new ATOM 0 HA LEU A 79 7.053 4.704 6.483 1.00 0.00 H new ATOM 0 HB2 LEU A 79 4.436 4.857 5.952 1.00 0.00 H new ATOM 0 HB3 LEU A 79 4.630 6.520 6.468 1.00 0.00 H new ATOM 0 HG LEU A 79 6.696 6.569 4.852 1.00 0.00 H new ATOM 0 HD11 LEU A 79 6.506 4.967 2.968 1.00 0.00 H new ATOM 0 HD12 LEU A 79 6.778 4.113 4.506 1.00 0.00 H new ATOM 0 HD13 LEU A 79 5.149 4.160 3.789 1.00 0.00 H new ATOM 0 HD21 LEU A 79 5.216 7.118 2.939 1.00 0.00 H new ATOM 0 HD22 LEU A 79 3.856 6.313 3.758 1.00 0.00 H new ATOM 0 HD23 LEU A 79 4.570 7.786 4.457 1.00 0.00 H new ATOM 1188 N GLN A 80 8.173 6.437 7.940 1.00 0.00 N ATOM 1189 CA GLN A 80 8.869 7.593 8.586 1.00 0.00 C ATOM 1190 C GLN A 80 10.142 7.916 7.811 1.00 0.00 C ATOM 1191 O GLN A 80 10.521 7.203 6.895 1.00 0.00 O ATOM 1192 CB GLN A 80 9.221 7.235 10.031 1.00 0.00 C ATOM 1193 CG GLN A 80 7.940 6.905 10.799 1.00 0.00 C ATOM 1194 CD GLN A 80 8.285 6.080 12.040 1.00 0.00 C ATOM 1195 OE1 GLN A 80 8.672 4.933 11.933 1.00 0.00 O ATOM 1196 NE2 GLN A 80 8.159 6.619 13.221 1.00 0.00 N ATOM 0 H GLN A 80 8.778 5.647 7.715 1.00 0.00 H new ATOM 0 HA GLN A 80 8.213 8.463 8.581 1.00 0.00 H new ATOM 0 HB2 GLN A 80 9.900 6.383 10.051 1.00 0.00 H new ATOM 0 HB3 GLN A 80 9.740 8.067 10.507 1.00 0.00 H new ATOM 0 HG2 GLN A 80 7.432 7.824 11.090 1.00 0.00 H new ATOM 0 HG3 GLN A 80 7.253 6.350 10.160 1.00 0.00 H new ATOM 0 HE21 GLN A 80 7.834 7.582 13.310 1.00 0.00 H new ATOM 0 HE22 GLN A 80 8.385 6.078 14.055 1.00 0.00 H new ATOM 1205 N ASP A 81 10.787 8.998 8.170 1.00 0.00 N ATOM 1206 CA ASP A 81 12.032 9.418 7.469 1.00 0.00 C ATOM 1207 C ASP A 81 13.162 8.426 7.745 1.00 0.00 C ATOM 1208 O ASP A 81 13.791 8.451 8.790 1.00 0.00 O ATOM 1209 CB ASP A 81 12.449 10.808 7.945 1.00 0.00 C ATOM 1210 CG ASP A 81 11.392 11.831 7.524 1.00 0.00 C ATOM 1211 OD1 ASP A 81 10.276 11.733 8.008 1.00 0.00 O ATOM 1212 OD2 ASP A 81 11.715 12.695 6.726 1.00 0.00 O ATOM 0 H ASP A 81 10.497 9.614 8.930 1.00 0.00 H new ATOM 0 HA ASP A 81 11.836 9.441 6.397 1.00 0.00 H new ATOM 0 HB2 ASP A 81 12.564 10.813 9.029 1.00 0.00 H new ATOM 0 HB3 ASP A 81 13.417 11.074 7.520 1.00 0.00 H new ATOM 1217 N LEU A 82 13.437 7.592 6.776 1.00 0.00 N ATOM 1218 CA LEU A 82 14.547 6.600 6.877 1.00 0.00 C ATOM 1219 C LEU A 82 15.868 7.354 6.609 1.00 0.00 C ATOM 1220 O LEU A 82 15.821 8.515 6.223 1.00 0.00 O ATOM 1221 CB LEU A 82 14.308 5.505 5.824 1.00 0.00 C ATOM 1222 CG LEU A 82 13.294 4.486 6.362 1.00 0.00 C ATOM 1223 CD1 LEU A 82 12.836 3.554 5.230 1.00 0.00 C ATOM 1224 CD2 LEU A 82 13.945 3.654 7.477 1.00 0.00 C ATOM 0 H LEU A 82 12.924 7.557 5.895 1.00 0.00 H new ATOM 0 HA LEU A 82 14.594 6.132 7.860 1.00 0.00 H new ATOM 0 HB2 LEU A 82 13.937 5.949 4.900 1.00 0.00 H new ATOM 0 HB3 LEU A 82 15.247 5.007 5.583 1.00 0.00 H new ATOM 0 HG LEU A 82 12.430 5.018 6.759 1.00 0.00 H new ATOM 0 HD11 LEU A 82 12.117 2.834 5.620 1.00 0.00 H new ATOM 0 HD12 LEU A 82 12.369 4.143 4.441 1.00 0.00 H new ATOM 0 HD13 LEU A 82 13.697 3.023 4.825 1.00 0.00 H new ATOM 0 HD21 LEU A 82 13.225 2.930 7.859 1.00 0.00 H new ATOM 0 HD22 LEU A 82 14.812 3.127 7.079 1.00 0.00 H new ATOM 0 HD23 LEU A 82 14.261 4.313 8.286 1.00 0.00 H new ATOM 1236 N PRO A 83 17.013 6.716 6.816 1.00 0.00 N ATOM 1237 CA PRO A 83 18.308 7.388 6.590 1.00 0.00 C ATOM 1238 C PRO A 83 18.506 7.696 5.104 1.00 0.00 C ATOM 1239 O PRO A 83 18.895 6.846 4.321 1.00 0.00 O ATOM 1240 CB PRO A 83 19.345 6.406 7.143 1.00 0.00 C ATOM 1241 CG PRO A 83 18.658 5.025 7.179 1.00 0.00 C ATOM 1242 CD PRO A 83 17.146 5.302 7.267 1.00 0.00 C ATOM 0 HA PRO A 83 18.384 8.356 7.084 1.00 0.00 H new ATOM 0 HB2 PRO A 83 20.233 6.382 6.512 1.00 0.00 H new ATOM 0 HB3 PRO A 83 19.670 6.704 8.140 1.00 0.00 H new ATOM 0 HG2 PRO A 83 18.897 4.448 6.286 1.00 0.00 H new ATOM 0 HG3 PRO A 83 18.998 4.443 8.036 1.00 0.00 H new ATOM 0 HD2 PRO A 83 16.578 4.624 6.629 1.00 0.00 H new ATOM 0 HD3 PRO A 83 16.774 5.170 8.283 1.00 0.00 H new ATOM 1250 N GLY A 84 18.233 8.932 4.738 1.00 0.00 N ATOM 1251 CA GLY A 84 18.383 9.391 3.324 1.00 0.00 C ATOM 1252 C GLY A 84 17.020 9.367 2.601 1.00 0.00 C ATOM 1253 O GLY A 84 16.904 9.911 1.513 1.00 0.00 O ATOM 0 H GLY A 84 17.905 9.654 5.380 1.00 0.00 H new ATOM 0 HA2 GLY A 84 18.794 10.400 3.305 1.00 0.00 H new ATOM 0 HA3 GLY A 84 19.091 8.749 2.800 1.00 0.00 H new ATOM 1257 N CYS A 85 15.986 8.745 3.178 1.00 0.00 N ATOM 1258 CA CYS A 85 14.648 8.698 2.501 1.00 0.00 C ATOM 1259 C CYS A 85 13.582 9.383 3.384 1.00 0.00 C ATOM 1260 O CYS A 85 13.003 8.732 4.225 1.00 0.00 O ATOM 1261 CB CYS A 85 14.236 7.243 2.219 1.00 0.00 C ATOM 1262 SG CYS A 85 14.959 6.682 0.655 1.00 0.00 S ATOM 0 H CYS A 85 16.026 8.276 4.083 1.00 0.00 H new ATOM 0 HA CYS A 85 14.723 9.230 1.553 1.00 0.00 H new ATOM 0 HB2 CYS A 85 14.567 6.599 3.033 1.00 0.00 H new ATOM 0 HB3 CYS A 85 13.150 7.167 2.174 1.00 0.00 H new ATOM 1267 N PRO A 86 13.344 10.677 3.193 1.00 0.00 N ATOM 1268 CA PRO A 86 12.352 11.412 4.014 1.00 0.00 C ATOM 1269 C PRO A 86 10.928 11.026 3.628 1.00 0.00 C ATOM 1270 O PRO A 86 10.703 10.472 2.564 1.00 0.00 O ATOM 1271 CB PRO A 86 12.604 12.885 3.674 1.00 0.00 C ATOM 1272 CG PRO A 86 13.341 12.903 2.318 1.00 0.00 C ATOM 1273 CD PRO A 86 13.991 11.518 2.150 1.00 0.00 C ATOM 0 HA PRO A 86 12.456 11.193 5.077 1.00 0.00 H new ATOM 0 HB2 PRO A 86 11.665 13.435 3.612 1.00 0.00 H new ATOM 0 HB3 PRO A 86 13.204 13.364 4.448 1.00 0.00 H new ATOM 0 HG2 PRO A 86 12.647 13.106 1.503 1.00 0.00 H new ATOM 0 HG3 PRO A 86 14.095 13.690 2.298 1.00 0.00 H new ATOM 0 HD2 PRO A 86 13.818 11.116 1.152 1.00 0.00 H new ATOM 0 HD3 PRO A 86 15.071 11.566 2.291 1.00 0.00 H new ATOM 1281 N ARG A 87 9.955 11.354 4.474 1.00 0.00 N ATOM 1282 CA ARG A 87 8.517 11.064 4.169 1.00 0.00 C ATOM 1283 C ARG A 87 8.197 11.486 2.733 1.00 0.00 C ATOM 1284 O ARG A 87 7.310 10.947 2.106 1.00 0.00 O ATOM 1285 CB ARG A 87 7.632 11.900 5.088 1.00 0.00 C ATOM 1286 CG ARG A 87 7.892 11.546 6.552 1.00 0.00 C ATOM 1287 CD ARG A 87 6.619 10.978 7.191 1.00 0.00 C ATOM 1288 NE ARG A 87 5.508 11.966 7.053 1.00 0.00 N ATOM 1289 CZ ARG A 87 4.624 12.094 8.007 1.00 0.00 C ATOM 1290 NH1 ARG A 87 4.157 11.037 8.613 1.00 0.00 N ATOM 1291 NH2 ARG A 87 4.203 13.281 8.351 1.00 0.00 N ATOM 0 H ARG A 87 10.111 11.815 5.370 1.00 0.00 H new ATOM 0 HA ARG A 87 8.338 9.998 4.308 1.00 0.00 H new ATOM 0 HB2 ARG A 87 7.827 12.960 4.924 1.00 0.00 H new ATOM 0 HB3 ARG A 87 6.583 11.728 4.847 1.00 0.00 H new ATOM 0 HG2 ARG A 87 8.699 10.816 6.620 1.00 0.00 H new ATOM 0 HG3 ARG A 87 8.217 12.433 7.096 1.00 0.00 H new ATOM 0 HD2 ARG A 87 6.346 10.039 6.710 1.00 0.00 H new ATOM 0 HD3 ARG A 87 6.795 10.758 8.244 1.00 0.00 H new ATOM 0 HE ARG A 87 5.439 12.541 6.214 1.00 0.00 H new ATOM 0 HH11 ARG A 87 4.482 10.109 8.342 1.00 0.00 H new ATOM 0 HH12 ARG A 87 3.467 11.139 9.357 1.00 0.00 H new ATOM 0 HH21 ARG A 87 4.564 14.108 7.875 1.00 0.00 H new ATOM 0 HH22 ARG A 87 3.513 13.381 9.095 1.00 0.00 H new ATOM 1305 N GLN A 88 8.914 12.479 2.244 1.00 0.00 N ATOM 1306 CA GLN A 88 8.676 13.004 0.855 1.00 0.00 C ATOM 1307 C GLN A 88 8.749 11.878 -0.196 1.00 0.00 C ATOM 1308 O GLN A 88 7.828 11.700 -0.988 1.00 0.00 O ATOM 1309 CB GLN A 88 9.736 14.061 0.528 1.00 0.00 C ATOM 1310 CG GLN A 88 9.382 14.743 -0.797 1.00 0.00 C ATOM 1311 CD GLN A 88 10.039 16.123 -0.859 1.00 0.00 C ATOM 1312 OE1 GLN A 88 9.362 17.133 -0.855 1.00 0.00 O ATOM 1313 NE2 GLN A 88 11.340 16.211 -0.919 1.00 0.00 N ATOM 0 H GLN A 88 9.660 12.951 2.754 1.00 0.00 H new ATOM 0 HA GLN A 88 7.677 13.438 0.823 1.00 0.00 H new ATOM 0 HB2 GLN A 88 9.788 14.800 1.328 1.00 0.00 H new ATOM 0 HB3 GLN A 88 10.720 13.596 0.459 1.00 0.00 H new ATOM 0 HG2 GLN A 88 9.720 14.131 -1.633 1.00 0.00 H new ATOM 0 HG3 GLN A 88 8.300 14.840 -0.889 1.00 0.00 H new ATOM 0 HE21 GLN A 88 11.909 15.364 -0.922 1.00 0.00 H new ATOM 0 HE22 GLN A 88 11.788 17.126 -0.962 1.00 0.00 H new ATOM 1322 N VAL A 89 9.841 11.138 -0.223 1.00 0.00 N ATOM 1323 CA VAL A 89 10.015 10.047 -1.223 1.00 0.00 C ATOM 1324 C VAL A 89 8.919 9.005 -1.047 1.00 0.00 C ATOM 1325 O VAL A 89 8.362 8.513 -2.016 1.00 0.00 O ATOM 1326 CB VAL A 89 11.387 9.421 -0.997 1.00 0.00 C ATOM 1327 CG1 VAL A 89 11.628 8.287 -1.992 1.00 0.00 C ATOM 1328 CG2 VAL A 89 12.445 10.492 -1.185 1.00 0.00 C ATOM 0 H VAL A 89 10.625 11.253 0.419 1.00 0.00 H new ATOM 0 HA VAL A 89 9.947 10.441 -2.237 1.00 0.00 H new ATOM 0 HB VAL A 89 11.436 9.012 0.012 1.00 0.00 H new ATOM 0 HG11 VAL A 89 12.612 7.852 -1.816 1.00 0.00 H new ATOM 0 HG12 VAL A 89 10.864 7.521 -1.862 1.00 0.00 H new ATOM 0 HG13 VAL A 89 11.581 8.678 -3.008 1.00 0.00 H new ATOM 0 HG21 VAL A 89 13.433 10.059 -1.026 1.00 0.00 H new ATOM 0 HG22 VAL A 89 12.382 10.892 -2.197 1.00 0.00 H new ATOM 0 HG23 VAL A 89 12.281 11.295 -0.467 1.00 0.00 H new ATOM 1338 N GLN A 90 8.610 8.683 0.182 1.00 0.00 N ATOM 1339 CA GLN A 90 7.542 7.678 0.462 1.00 0.00 C ATOM 1340 C GLN A 90 6.202 8.228 -0.028 1.00 0.00 C ATOM 1341 O GLN A 90 5.307 7.472 -0.356 1.00 0.00 O ATOM 1342 CB GLN A 90 7.469 7.403 1.965 1.00 0.00 C ATOM 1343 CG GLN A 90 8.719 6.635 2.402 1.00 0.00 C ATOM 1344 CD GLN A 90 9.804 7.629 2.813 1.00 0.00 C ATOM 1345 OE1 GLN A 90 9.665 8.323 3.799 1.00 0.00 O ATOM 1346 NE2 GLN A 90 10.890 7.724 2.100 1.00 0.00 N ATOM 0 H GLN A 90 9.056 9.077 1.011 1.00 0.00 H new ATOM 0 HA GLN A 90 7.770 6.747 -0.056 1.00 0.00 H new ATOM 0 HB2 GLN A 90 7.395 8.341 2.514 1.00 0.00 H new ATOM 0 HB3 GLN A 90 6.574 6.826 2.197 1.00 0.00 H new ATOM 0 HG2 GLN A 90 8.481 5.974 3.235 1.00 0.00 H new ATOM 0 HG3 GLN A 90 9.076 6.005 1.587 1.00 0.00 H new ATOM 0 HE21 GLN A 90 11.008 7.142 1.271 1.00 0.00 H new ATOM 0 HE22 GLN A 90 11.622 8.381 2.371 1.00 0.00 H new ATOM 1355 N ARG A 91 6.067 9.539 -0.075 1.00 0.00 N ATOM 1356 CA ARG A 91 4.792 10.171 -0.542 1.00 0.00 C ATOM 1357 C ARG A 91 4.723 10.132 -2.072 1.00 0.00 C ATOM 1358 O ARG A 91 3.646 10.105 -2.640 1.00 0.00 O ATOM 1359 CB ARG A 91 4.719 11.626 -0.052 1.00 0.00 C ATOM 1360 CG ARG A 91 3.399 11.857 0.691 1.00 0.00 C ATOM 1361 CD ARG A 91 3.377 11.016 1.970 1.00 0.00 C ATOM 1362 NE ARG A 91 2.136 11.311 2.740 1.00 0.00 N ATOM 1363 CZ ARG A 91 2.214 11.928 3.886 1.00 0.00 C ATOM 1364 NH1 ARG A 91 3.110 11.565 4.762 1.00 0.00 N ATOM 1365 NH2 ARG A 91 1.398 12.911 4.156 1.00 0.00 N ATOM 0 H ARG A 91 6.796 10.200 0.194 1.00 0.00 H new ATOM 0 HA ARG A 91 3.948 9.616 -0.133 1.00 0.00 H new ATOM 0 HB2 ARG A 91 5.560 11.840 0.607 1.00 0.00 H new ATOM 0 HB3 ARG A 91 4.795 12.309 -0.898 1.00 0.00 H new ATOM 0 HG2 ARG A 91 3.288 12.913 0.936 1.00 0.00 H new ATOM 0 HG3 ARG A 91 2.558 11.588 0.052 1.00 0.00 H new ATOM 0 HD2 ARG A 91 3.419 9.956 1.721 1.00 0.00 H new ATOM 0 HD3 ARG A 91 4.255 11.236 2.577 1.00 0.00 H new ATOM 0 HE ARG A 91 1.227 11.031 2.371 1.00 0.00 H new ATOM 0 HH11 ARG A 91 3.749 10.799 4.550 1.00 0.00 H new ATOM 0 HH12 ARG A 91 3.171 12.047 5.659 1.00 0.00 H new ATOM 0 HH21 ARG A 91 0.699 13.197 3.470 1.00 0.00 H new ATOM 0 HH22 ARG A 91 1.460 13.393 5.053 1.00 0.00 H new ATOM 1379 N ALA A 92 5.863 10.143 -2.735 1.00 0.00 N ATOM 1380 CA ALA A 92 5.877 10.114 -4.234 1.00 0.00 C ATOM 1381 C ALA A 92 5.589 8.688 -4.732 1.00 0.00 C ATOM 1382 O ALA A 92 4.762 8.489 -5.607 1.00 0.00 O ATOM 1383 CB ALA A 92 7.250 10.575 -4.737 1.00 0.00 C ATOM 0 H ALA A 92 6.784 10.171 -2.298 1.00 0.00 H new ATOM 0 HA ALA A 92 5.107 10.783 -4.617 1.00 0.00 H new ATOM 0 HB1 ALA A 92 7.264 10.555 -5.827 1.00 0.00 H new ATOM 0 HB2 ALA A 92 7.442 11.590 -4.390 1.00 0.00 H new ATOM 0 HB3 ALA A 92 8.021 9.908 -4.352 1.00 0.00 H new ATOM 1389 N PHE A 93 6.278 7.711 -4.183 1.00 0.00 N ATOM 1390 CA PHE A 93 6.086 6.283 -4.604 1.00 0.00 C ATOM 1391 C PHE A 93 4.806 5.698 -3.981 1.00 0.00 C ATOM 1392 O PHE A 93 4.256 4.737 -4.494 1.00 0.00 O ATOM 1393 CB PHE A 93 7.306 5.456 -4.163 1.00 0.00 C ATOM 1394 CG PHE A 93 7.107 4.000 -4.529 1.00 0.00 C ATOM 1395 CD1 PHE A 93 6.355 3.166 -3.690 1.00 0.00 C ATOM 1396 CD2 PHE A 93 7.666 3.489 -5.702 1.00 0.00 C ATOM 1397 CE1 PHE A 93 6.167 1.822 -4.025 1.00 0.00 C ATOM 1398 CE2 PHE A 93 7.478 2.144 -6.039 1.00 0.00 C ATOM 1399 CZ PHE A 93 6.730 1.310 -5.201 1.00 0.00 C ATOM 0 H PHE A 93 6.975 7.846 -3.451 1.00 0.00 H new ATOM 0 HA PHE A 93 5.986 6.245 -5.689 1.00 0.00 H new ATOM 0 HB2 PHE A 93 8.207 5.839 -4.641 1.00 0.00 H new ATOM 0 HB3 PHE A 93 7.451 5.552 -3.087 1.00 0.00 H new ATOM 0 HD1 PHE A 93 5.921 3.562 -2.784 1.00 0.00 H new ATOM 0 HD2 PHE A 93 8.244 4.132 -6.349 1.00 0.00 H new ATOM 0 HE1 PHE A 93 5.588 1.179 -3.378 1.00 0.00 H new ATOM 0 HE2 PHE A 93 7.911 1.749 -6.947 1.00 0.00 H new ATOM 0 HZ PHE A 93 6.587 0.272 -5.461 1.00 0.00 H new ATOM 1409 N ALA A 94 4.371 6.232 -2.863 1.00 0.00 N ATOM 1410 CA ALA A 94 3.159 5.690 -2.165 1.00 0.00 C ATOM 1411 C ALA A 94 1.939 5.601 -3.113 1.00 0.00 C ATOM 1412 O ALA A 94 1.342 4.544 -3.208 1.00 0.00 O ATOM 1413 CB ALA A 94 2.807 6.581 -0.973 1.00 0.00 C ATOM 0 H ALA A 94 4.808 7.028 -2.400 1.00 0.00 H new ATOM 0 HA ALA A 94 3.398 4.682 -1.826 1.00 0.00 H new ATOM 0 HB1 ALA A 94 1.926 6.183 -0.469 1.00 0.00 H new ATOM 0 HB2 ALA A 94 3.645 6.604 -0.276 1.00 0.00 H new ATOM 0 HB3 ALA A 94 2.599 7.592 -1.323 1.00 0.00 H new ATOM 1419 N PRO A 95 1.582 6.700 -3.779 1.00 0.00 N ATOM 1420 CA PRO A 95 0.418 6.717 -4.696 1.00 0.00 C ATOM 1421 C PRO A 95 0.696 5.893 -5.960 1.00 0.00 C ATOM 1422 O PRO A 95 -0.213 5.593 -6.715 1.00 0.00 O ATOM 1423 CB PRO A 95 0.209 8.201 -5.008 1.00 0.00 C ATOM 1424 CG PRO A 95 1.549 8.900 -4.709 1.00 0.00 C ATOM 1425 CD PRO A 95 2.296 7.998 -3.707 1.00 0.00 C ATOM 0 HA PRO A 95 -0.472 6.266 -4.258 1.00 0.00 H new ATOM 0 HB2 PRO A 95 -0.079 8.342 -6.050 1.00 0.00 H new ATOM 0 HB3 PRO A 95 -0.592 8.618 -4.397 1.00 0.00 H new ATOM 0 HG2 PRO A 95 2.131 9.032 -5.621 1.00 0.00 H new ATOM 0 HG3 PRO A 95 1.384 9.893 -4.290 1.00 0.00 H new ATOM 0 HD2 PRO A 95 3.347 7.889 -3.976 1.00 0.00 H new ATOM 0 HD3 PRO A 95 2.266 8.413 -2.700 1.00 0.00 H new ATOM 1433 N LYS A 96 1.939 5.497 -6.168 1.00 0.00 N ATOM 1434 CA LYS A 96 2.294 4.655 -7.352 1.00 0.00 C ATOM 1435 C LYS A 96 2.151 3.162 -6.985 1.00 0.00 C ATOM 1436 O LYS A 96 2.683 2.301 -7.667 1.00 0.00 O ATOM 1437 CB LYS A 96 3.742 4.939 -7.770 1.00 0.00 C ATOM 1438 CG LYS A 96 3.929 6.442 -8.015 1.00 0.00 C ATOM 1439 CD LYS A 96 3.833 6.744 -9.519 1.00 0.00 C ATOM 1440 CE LYS A 96 2.713 7.757 -9.777 1.00 0.00 C ATOM 1441 NZ LYS A 96 1.427 7.034 -9.980 1.00 0.00 N ATOM 0 H LYS A 96 2.724 5.727 -5.559 1.00 0.00 H new ATOM 0 HA LYS A 96 1.624 4.894 -8.178 1.00 0.00 H new ATOM 0 HB2 LYS A 96 4.427 4.600 -6.993 1.00 0.00 H new ATOM 0 HB3 LYS A 96 3.985 4.381 -8.674 1.00 0.00 H new ATOM 0 HG2 LYS A 96 3.169 7.005 -7.473 1.00 0.00 H new ATOM 0 HG3 LYS A 96 4.897 6.764 -7.632 1.00 0.00 H new ATOM 0 HD2 LYS A 96 4.782 7.139 -9.881 1.00 0.00 H new ATOM 0 HD3 LYS A 96 3.638 5.825 -10.072 1.00 0.00 H new ATOM 0 HE2 LYS A 96 2.628 8.443 -8.935 1.00 0.00 H new ATOM 0 HE3 LYS A 96 2.947 8.358 -10.655 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 0.744 7.665 -10.447 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 1.589 6.198 -10.576 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 1.048 6.734 -9.059 1.00 0.00 H new ATOM 1455 N LEU A 97 1.444 2.857 -5.906 1.00 0.00 N ATOM 1456 CA LEU A 97 1.257 1.430 -5.470 1.00 0.00 C ATOM 1457 C LEU A 97 0.263 0.720 -6.407 1.00 0.00 C ATOM 1458 O LEU A 97 0.656 -0.121 -7.192 1.00 0.00 O ATOM 1459 CB LEU A 97 0.724 1.403 -4.029 1.00 0.00 C ATOM 1460 CG LEU A 97 1.528 0.393 -3.188 1.00 0.00 C ATOM 1461 CD1 LEU A 97 2.063 1.077 -1.927 1.00 0.00 C ATOM 1462 CD2 LEU A 97 0.626 -0.776 -2.779 1.00 0.00 C ATOM 0 H LEU A 97 0.987 3.546 -5.308 1.00 0.00 H new ATOM 0 HA LEU A 97 2.215 0.911 -5.513 1.00 0.00 H new ATOM 0 HB2 LEU A 97 0.797 2.397 -3.587 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -0.331 1.131 -4.028 1.00 0.00 H new ATOM 0 HG LEU A 97 2.361 0.022 -3.784 1.00 0.00 H new ATOM 0 HD11 LEU A 97 2.631 0.358 -1.336 1.00 0.00 H new ATOM 0 HD12 LEU A 97 2.711 1.906 -2.210 1.00 0.00 H new ATOM 0 HD13 LEU A 97 1.229 1.454 -1.336 1.00 0.00 H new ATOM 0 HD21 LEU A 97 1.199 -1.487 -2.185 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -0.210 -0.401 -2.189 1.00 0.00 H new ATOM 0 HD23 LEU A 97 0.246 -1.272 -3.672 1.00 0.00 H new ATOM 1474 N VAL A 98 -1.018 1.050 -6.340 1.00 0.00 N ATOM 1475 CA VAL A 98 -2.033 0.390 -7.236 1.00 0.00 C ATOM 1476 C VAL A 98 -1.887 0.824 -8.697 1.00 0.00 C ATOM 1477 O VAL A 98 -2.707 0.466 -9.524 1.00 0.00 O ATOM 1478 CB VAL A 98 -3.438 0.762 -6.795 1.00 0.00 C ATOM 1479 CG1 VAL A 98 -3.760 0.067 -5.491 1.00 0.00 C ATOM 1480 CG2 VAL A 98 -3.545 2.280 -6.621 1.00 0.00 C ATOM 0 H VAL A 98 -1.400 1.748 -5.702 1.00 0.00 H new ATOM 0 HA VAL A 98 -1.860 -0.683 -7.159 1.00 0.00 H new ATOM 0 HB VAL A 98 -4.151 0.444 -7.556 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -4.768 0.335 -5.175 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -3.697 -1.012 -5.629 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -3.047 0.377 -4.728 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -4.555 2.540 -6.305 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -2.832 2.611 -5.866 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -3.324 2.771 -7.569 1.00 0.00 H new ATOM 1490 N THR A 99 -0.880 1.590 -9.024 1.00 0.00 N ATOM 1491 CA THR A 99 -0.691 2.026 -10.444 1.00 0.00 C ATOM 1492 C THR A 99 0.225 1.017 -11.139 1.00 0.00 C ATOM 1493 O THR A 99 0.732 0.109 -10.503 1.00 0.00 O ATOM 1494 CB THR A 99 -0.069 3.438 -10.496 1.00 0.00 C ATOM 1495 OG1 THR A 99 1.317 3.383 -10.174 1.00 0.00 O ATOM 1496 CG2 THR A 99 -0.774 4.346 -9.498 1.00 0.00 C ATOM 0 H THR A 99 -0.178 1.935 -8.370 1.00 0.00 H new ATOM 0 HA THR A 99 -1.655 2.066 -10.951 1.00 0.00 H new ATOM 0 HB THR A 99 -0.187 3.832 -11.506 1.00 0.00 H new ATOM 0 HG1 THR A 99 1.742 4.234 -10.411 1.00 0.00 H new ATOM 0 HG21 THR A 99 -0.333 5.342 -9.537 1.00 0.00 H new ATOM 0 HG22 THR A 99 -1.833 4.408 -9.748 1.00 0.00 H new ATOM 0 HG23 THR A 99 -0.662 3.939 -8.493 1.00 0.00 H new ATOM 1504 N GLU A 100 0.439 1.156 -12.433 1.00 0.00 N ATOM 1505 CA GLU A 100 1.326 0.193 -13.160 1.00 0.00 C ATOM 1506 C GLU A 100 2.764 0.163 -12.582 1.00 0.00 C ATOM 1507 O GLU A 100 3.576 -0.620 -13.051 1.00 0.00 O ATOM 1508 CB GLU A 100 1.406 0.587 -14.633 1.00 0.00 C ATOM 1509 CG GLU A 100 1.721 2.084 -14.780 1.00 0.00 C ATOM 1510 CD GLU A 100 0.451 2.847 -15.168 1.00 0.00 C ATOM 1511 OE1 GLU A 100 -0.112 2.533 -16.204 1.00 0.00 O ATOM 1512 OE2 GLU A 100 0.062 3.731 -14.421 1.00 0.00 O ATOM 0 H GLU A 100 0.037 1.894 -13.011 1.00 0.00 H new ATOM 0 HA GLU A 100 0.890 -0.799 -13.040 1.00 0.00 H new ATOM 0 HB2 GLU A 100 2.176 -0.002 -15.131 1.00 0.00 H new ATOM 0 HB3 GLU A 100 0.462 0.359 -15.127 1.00 0.00 H new ATOM 0 HG2 GLU A 100 2.119 2.475 -13.843 1.00 0.00 H new ATOM 0 HG3 GLU A 100 2.490 2.230 -15.539 1.00 0.00 H new ATOM 1519 N VAL A 101 3.108 1.000 -11.602 1.00 0.00 N ATOM 1520 CA VAL A 101 4.506 0.993 -11.056 1.00 0.00 C ATOM 1521 C VAL A 101 4.643 -0.009 -9.895 1.00 0.00 C ATOM 1522 O VAL A 101 5.728 -0.160 -9.357 1.00 0.00 O ATOM 1523 CB VAL A 101 4.883 2.398 -10.551 1.00 0.00 C ATOM 1524 CG1 VAL A 101 6.405 2.495 -10.424 1.00 0.00 C ATOM 1525 CG2 VAL A 101 4.390 3.468 -11.536 1.00 0.00 C ATOM 0 H VAL A 101 2.479 1.676 -11.169 1.00 0.00 H new ATOM 0 HA VAL A 101 5.177 0.694 -11.862 1.00 0.00 H new ATOM 0 HB VAL A 101 4.414 2.565 -9.581 1.00 0.00 H new ATOM 0 HG11 VAL A 101 6.678 3.488 -10.067 1.00 0.00 H new ATOM 0 HG12 VAL A 101 6.760 1.745 -9.717 1.00 0.00 H new ATOM 0 HG13 VAL A 101 6.863 2.321 -11.398 1.00 0.00 H new ATOM 0 HG21 VAL A 101 4.663 4.456 -11.166 1.00 0.00 H new ATOM 0 HG22 VAL A 101 4.850 3.305 -12.511 1.00 0.00 H new ATOM 0 HG23 VAL A 101 3.306 3.403 -11.631 1.00 0.00 H new ATOM 1535 N GLU A 102 3.570 -0.683 -9.494 1.00 0.00 N ATOM 1536 CA GLU A 102 3.690 -1.656 -8.348 1.00 0.00 C ATOM 1537 C GLU A 102 2.866 -2.940 -8.591 1.00 0.00 C ATOM 1538 O GLU A 102 3.404 -3.921 -9.079 1.00 0.00 O ATOM 1539 CB GLU A 102 3.244 -0.966 -7.049 1.00 0.00 C ATOM 1540 CG GLU A 102 4.435 -0.816 -6.098 1.00 0.00 C ATOM 1541 CD GLU A 102 4.472 -2.005 -5.136 1.00 0.00 C ATOM 1542 OE1 GLU A 102 4.804 -3.092 -5.581 1.00 0.00 O ATOM 1543 OE2 GLU A 102 4.167 -1.809 -3.972 1.00 0.00 O ATOM 0 H GLU A 102 2.639 -0.601 -9.904 1.00 0.00 H new ATOM 0 HA GLU A 102 4.733 -1.960 -8.265 1.00 0.00 H new ATOM 0 HB2 GLU A 102 2.823 0.014 -7.274 1.00 0.00 H new ATOM 0 HB3 GLU A 102 2.457 -1.549 -6.570 1.00 0.00 H new ATOM 0 HG2 GLU A 102 5.364 -0.765 -6.666 1.00 0.00 H new ATOM 0 HG3 GLU A 102 4.352 0.116 -5.539 1.00 0.00 H new ATOM 1550 N CYS A 103 1.587 -2.958 -8.232 1.00 0.00 N ATOM 1551 CA CYS A 103 0.758 -4.195 -8.416 1.00 0.00 C ATOM 1552 C CYS A 103 -0.699 -3.785 -8.739 1.00 0.00 C ATOM 1553 O CYS A 103 -1.642 -4.324 -8.177 1.00 0.00 O ATOM 1554 CB CYS A 103 0.802 -5.006 -7.108 1.00 0.00 C ATOM 1555 SG CYS A 103 2.485 -5.613 -6.820 1.00 0.00 S ATOM 0 H CYS A 103 1.092 -2.167 -7.821 1.00 0.00 H new ATOM 0 HA CYS A 103 1.145 -4.799 -9.236 1.00 0.00 H new ATOM 0 HB2 CYS A 103 0.482 -4.384 -6.272 1.00 0.00 H new ATOM 0 HB3 CYS A 103 0.108 -5.844 -7.165 1.00 0.00 H new ATOM 1560 N ASN A 104 -0.884 -2.800 -9.617 1.00 0.00 N ATOM 1561 CA ASN A 104 -2.258 -2.299 -9.971 1.00 0.00 C ATOM 1562 C ASN A 104 -3.297 -3.421 -10.082 1.00 0.00 C ATOM 1563 O ASN A 104 -4.312 -3.363 -9.407 1.00 0.00 O ATOM 1564 CB ASN A 104 -2.206 -1.509 -11.292 1.00 0.00 C ATOM 1565 CG ASN A 104 -1.716 -2.396 -12.439 1.00 0.00 C ATOM 1566 OD1 ASN A 104 -0.441 -2.641 -12.572 1.00 0.00 O flip ATOM 1567 ND2 ASN A 104 -2.507 -2.877 -13.226 1.00 0.00 N flip ATOM 0 H ASN A 104 -0.125 -2.323 -10.104 1.00 0.00 H new ATOM 0 HA ASN A 104 -2.574 -1.650 -9.154 1.00 0.00 H new ATOM 0 HB2 ASN A 104 -3.196 -1.119 -11.526 1.00 0.00 H new ATOM 0 HB3 ASN A 104 -1.543 -0.651 -11.182 1.00 0.00 H new ATOM 0 HD21 ASN A 104 -3.504 -2.688 -13.126 1.00 0.00 H new ATOM 0 HD22 ASN A 104 -2.174 -3.469 -13.986 1.00 0.00 H new ATOM 1574 N LEU A 105 -3.063 -4.431 -10.909 1.00 0.00 N ATOM 1575 CA LEU A 105 -4.051 -5.564 -11.066 1.00 0.00 C ATOM 1576 C LEU A 105 -5.510 -5.033 -11.091 1.00 0.00 C ATOM 1577 O LEU A 105 -6.435 -5.711 -10.668 1.00 0.00 O ATOM 1578 CB LEU A 105 -3.865 -6.536 -9.894 1.00 0.00 C ATOM 1579 CG LEU A 105 -2.479 -7.195 -9.988 1.00 0.00 C ATOM 1580 CD1 LEU A 105 -1.807 -7.198 -8.611 1.00 0.00 C ATOM 1581 CD2 LEU A 105 -2.629 -8.637 -10.484 1.00 0.00 C ATOM 0 H LEU A 105 -2.225 -4.517 -11.484 1.00 0.00 H new ATOM 0 HA LEU A 105 -3.868 -6.073 -12.012 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -3.963 -6.004 -8.948 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -4.644 -7.298 -9.913 1.00 0.00 H new ATOM 0 HG LEU A 105 -1.863 -6.630 -10.687 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -0.826 -7.667 -8.686 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -1.694 -6.173 -8.259 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -2.423 -7.757 -7.907 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -1.646 -9.103 -10.550 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -3.251 -9.199 -9.787 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -3.097 -8.636 -11.468 1.00 0.00 H new ATOM 1593 N ALA A 106 -5.706 -3.813 -11.577 1.00 0.00 N ATOM 1594 CA ALA A 106 -7.074 -3.200 -11.628 1.00 0.00 C ATOM 1595 C ALA A 106 -7.584 -2.982 -10.202 1.00 0.00 C ATOM 1596 O ALA A 106 -7.155 -3.645 -9.274 1.00 0.00 O ATOM 1597 CB ALA A 106 -8.034 -4.120 -12.387 1.00 0.00 C ATOM 0 H ALA A 106 -4.962 -3.218 -11.942 1.00 0.00 H new ATOM 0 HA ALA A 106 -7.021 -2.243 -12.147 1.00 0.00 H new ATOM 0 HB1 ALA A 106 -9.024 -3.666 -12.418 1.00 0.00 H new ATOM 0 HB2 ALA A 106 -7.670 -4.267 -13.404 1.00 0.00 H new ATOM 0 HB3 ALA A 106 -8.092 -5.083 -11.880 1.00 0.00 H new ATOM 1603 N THR A 107 -8.488 -2.043 -10.036 1.00 0.00 N ATOM 1604 CA THR A 107 -9.050 -1.731 -8.678 1.00 0.00 C ATOM 1605 C THR A 107 -10.584 -1.770 -8.773 1.00 0.00 C ATOM 1606 O THR A 107 -11.130 -2.335 -9.708 1.00 0.00 O ATOM 1607 CB THR A 107 -8.569 -0.319 -8.234 1.00 0.00 C ATOM 1608 OG1 THR A 107 -9.375 0.694 -8.828 1.00 0.00 O ATOM 1609 CG2 THR A 107 -7.123 -0.098 -8.680 1.00 0.00 C ATOM 0 H THR A 107 -8.865 -1.472 -10.792 1.00 0.00 H new ATOM 0 HA THR A 107 -8.710 -2.460 -7.942 1.00 0.00 H new ATOM 0 HB THR A 107 -8.646 -0.263 -7.148 1.00 0.00 H new ATOM 0 HG1 THR A 107 -8.865 1.529 -8.881 1.00 0.00 H new ATOM 0 HG21 THR A 107 -6.793 0.892 -8.366 1.00 0.00 H new ATOM 0 HG22 THR A 107 -6.483 -0.855 -8.227 1.00 0.00 H new ATOM 0 HG23 THR A 107 -7.061 -0.174 -9.766 1.00 0.00 H new ATOM 1617 N ILE A 108 -11.272 -1.152 -7.834 1.00 0.00 N ATOM 1618 CA ILE A 108 -12.766 -1.118 -7.881 1.00 0.00 C ATOM 1619 C ILE A 108 -13.178 -0.259 -9.089 1.00 0.00 C ATOM 1620 O ILE A 108 -14.180 -0.512 -9.735 1.00 0.00 O ATOM 1621 CB ILE A 108 -13.303 -0.530 -6.556 1.00 0.00 C ATOM 1622 CG1 ILE A 108 -14.809 -0.832 -6.414 1.00 0.00 C ATOM 1623 CG2 ILE A 108 -13.049 0.987 -6.469 1.00 0.00 C ATOM 1624 CD1 ILE A 108 -15.639 -0.071 -7.460 1.00 0.00 C ATOM 0 H ILE A 108 -10.857 -0.670 -7.037 1.00 0.00 H new ATOM 0 HA ILE A 108 -13.185 -2.118 -7.994 1.00 0.00 H new ATOM 0 HB ILE A 108 -12.765 -1.004 -5.735 1.00 0.00 H new ATOM 0 HG12 ILE A 108 -14.978 -1.903 -6.524 1.00 0.00 H new ATOM 0 HG13 ILE A 108 -15.143 -0.557 -5.413 1.00 0.00 H new ATOM 0 HG21 ILE A 108 -13.439 1.368 -5.525 1.00 0.00 H new ATOM 0 HG22 ILE A 108 -11.978 1.180 -6.523 1.00 0.00 H new ATOM 0 HG23 ILE A 108 -13.550 1.488 -7.297 1.00 0.00 H new ATOM 0 HD11 ILE A 108 -16.695 -0.308 -7.329 1.00 0.00 H new ATOM 0 HD12 ILE A 108 -15.490 1.001 -7.333 1.00 0.00 H new ATOM 0 HD13 ILE A 108 -15.322 -0.365 -8.460 1.00 0.00 H new ATOM 1636 N HIS A 109 -12.391 0.758 -9.376 1.00 0.00 N ATOM 1637 CA HIS A 109 -12.672 1.682 -10.519 1.00 0.00 C ATOM 1638 C HIS A 109 -12.474 0.992 -11.883 1.00 0.00 C ATOM 1639 O HIS A 109 -12.709 1.607 -12.911 1.00 0.00 O ATOM 1640 CB HIS A 109 -11.722 2.874 -10.415 1.00 0.00 C ATOM 1641 CG HIS A 109 -12.088 3.697 -9.216 1.00 0.00 C ATOM 1642 ND1 HIS A 109 -13.048 4.692 -9.267 1.00 0.00 N ATOM 1643 CD2 HIS A 109 -11.629 3.684 -7.924 1.00 0.00 C ATOM 1644 CE1 HIS A 109 -13.134 5.232 -8.038 1.00 0.00 C ATOM 1645 NE2 HIS A 109 -12.289 4.653 -7.181 1.00 0.00 N ATOM 0 H HIS A 109 -11.547 0.987 -8.851 1.00 0.00 H new ATOM 0 HA HIS A 109 -13.713 1.998 -10.460 1.00 0.00 H new ATOM 0 HB2 HIS A 109 -10.692 2.527 -10.331 1.00 0.00 H new ATOM 0 HB3 HIS A 109 -11.781 3.481 -11.319 1.00 0.00 H new ATOM 0 HD2 HIS A 109 -10.868 3.020 -7.542 1.00 0.00 H new ATOM 0 HE1 HIS A 109 -13.805 6.036 -7.776 1.00 0.00 H new ATOM 0 HE2 HIS A 109 -12.157 4.875 -6.194 1.00 0.00 H new ATOM 1653 N GLY A 110 -12.047 -0.263 -11.914 1.00 0.00 N ATOM 1654 CA GLY A 110 -11.837 -0.970 -13.217 1.00 0.00 C ATOM 1655 C GLY A 110 -10.789 -0.221 -14.043 1.00 0.00 C ATOM 1656 O GLY A 110 -10.824 -0.242 -15.263 1.00 0.00 O ATOM 0 H GLY A 110 -11.837 -0.821 -11.086 1.00 0.00 H new ATOM 0 HA2 GLY A 110 -11.510 -1.994 -13.038 1.00 0.00 H new ATOM 0 HA3 GLY A 110 -12.776 -1.027 -13.767 1.00 0.00 H new ATOM 1660 N GLY A 111 -9.859 0.436 -13.378 1.00 0.00 N ATOM 1661 CA GLY A 111 -8.790 1.197 -14.096 1.00 0.00 C ATOM 1662 C GLY A 111 -7.594 1.430 -13.153 1.00 0.00 C ATOM 1663 O GLY A 111 -7.696 1.160 -11.971 1.00 0.00 O ATOM 0 H GLY A 111 -9.799 0.474 -12.360 1.00 0.00 H new ATOM 0 HA2 GLY A 111 -8.467 0.644 -14.978 1.00 0.00 H new ATOM 0 HA3 GLY A 111 -9.182 2.153 -14.444 1.00 0.00 H new ATOM 1667 N PRO A 112 -6.487 1.922 -13.701 1.00 0.00 N ATOM 1668 CA PRO A 112 -5.263 2.192 -12.916 1.00 0.00 C ATOM 1669 C PRO A 112 -5.385 3.503 -12.113 1.00 0.00 C ATOM 1670 O PRO A 112 -4.796 4.516 -12.465 1.00 0.00 O ATOM 1671 CB PRO A 112 -4.161 2.285 -13.983 1.00 0.00 C ATOM 1672 CG PRO A 112 -4.864 2.613 -15.321 1.00 0.00 C ATOM 1673 CD PRO A 112 -6.349 2.247 -15.146 1.00 0.00 C ATOM 0 HA PRO A 112 -5.062 1.422 -12.171 1.00 0.00 H new ATOM 0 HB2 PRO A 112 -3.438 3.059 -13.726 1.00 0.00 H new ATOM 0 HB3 PRO A 112 -3.611 1.346 -14.055 1.00 0.00 H new ATOM 0 HG2 PRO A 112 -4.753 3.669 -15.567 1.00 0.00 H new ATOM 0 HG3 PRO A 112 -4.420 2.046 -16.140 1.00 0.00 H new ATOM 0 HD2 PRO A 112 -6.998 3.076 -15.430 1.00 0.00 H new ATOM 0 HD3 PRO A 112 -6.625 1.398 -15.771 1.00 0.00 H new ATOM 1681 N PHE A 113 -6.128 3.474 -11.019 1.00 0.00 N ATOM 1682 CA PHE A 113 -6.282 4.699 -10.153 1.00 0.00 C ATOM 1683 C PHE A 113 -7.306 4.440 -9.042 1.00 0.00 C ATOM 1684 O PHE A 113 -8.076 3.496 -9.112 1.00 0.00 O ATOM 1685 CB PHE A 113 -6.742 5.906 -10.984 1.00 0.00 C ATOM 1686 CG PHE A 113 -7.975 5.563 -11.792 1.00 0.00 C ATOM 1687 CD1 PHE A 113 -9.247 5.700 -11.223 1.00 0.00 C ATOM 1688 CD2 PHE A 113 -7.845 5.133 -13.117 1.00 0.00 C ATOM 1689 CE1 PHE A 113 -10.388 5.404 -11.980 1.00 0.00 C ATOM 1690 CE2 PHE A 113 -8.986 4.840 -13.875 1.00 0.00 C ATOM 1691 CZ PHE A 113 -10.258 4.976 -13.307 1.00 0.00 C ATOM 0 H PHE A 113 -6.634 2.652 -10.690 1.00 0.00 H new ATOM 0 HA PHE A 113 -5.309 4.919 -9.714 1.00 0.00 H new ATOM 0 HB2 PHE A 113 -6.956 6.747 -10.325 1.00 0.00 H new ATOM 0 HB3 PHE A 113 -5.940 6.221 -11.652 1.00 0.00 H new ATOM 0 HD1 PHE A 113 -9.348 6.034 -10.201 1.00 0.00 H new ATOM 0 HD2 PHE A 113 -6.864 5.027 -13.556 1.00 0.00 H new ATOM 0 HE1 PHE A 113 -11.369 5.506 -11.540 1.00 0.00 H new ATOM 0 HE2 PHE A 113 -8.884 4.509 -14.898 1.00 0.00 H new ATOM 0 HZ PHE A 113 -11.138 4.751 -13.891 1.00 0.00 H new ATOM 1701 N CYS A 114 -7.312 5.279 -8.017 1.00 0.00 N ATOM 1702 CA CYS A 114 -8.277 5.106 -6.883 1.00 0.00 C ATOM 1703 C CYS A 114 -8.188 6.306 -5.922 1.00 0.00 C ATOM 1704 O CYS A 114 -7.188 6.998 -5.896 1.00 0.00 O ATOM 1705 CB CYS A 114 -7.923 3.824 -6.119 1.00 0.00 C ATOM 1706 SG CYS A 114 -6.307 4.013 -5.320 1.00 0.00 S ATOM 0 H CYS A 114 -6.684 6.077 -7.924 1.00 0.00 H new ATOM 0 HA CYS A 114 -9.290 5.042 -7.280 1.00 0.00 H new ATOM 0 HB2 CYS A 114 -8.687 3.613 -5.370 1.00 0.00 H new ATOM 0 HB3 CYS A 114 -7.904 2.975 -6.803 1.00 0.00 H new ATOM 1711 N LEU A 115 -9.215 6.521 -5.113 1.00 0.00 N ATOM 1712 CA LEU A 115 -9.216 7.642 -4.110 1.00 0.00 C ATOM 1713 C LEU A 115 -9.249 9.014 -4.804 1.00 0.00 C ATOM 1714 O LEU A 115 -10.301 9.619 -4.923 1.00 0.00 O ATOM 1715 CB LEU A 115 -7.966 7.529 -3.211 1.00 0.00 C ATOM 1716 CG LEU A 115 -8.371 7.246 -1.754 1.00 0.00 C ATOM 1717 CD1 LEU A 115 -9.231 8.394 -1.216 1.00 0.00 C ATOM 1718 CD2 LEU A 115 -9.164 5.935 -1.681 1.00 0.00 C ATOM 0 H LEU A 115 -10.063 5.955 -5.110 1.00 0.00 H new ATOM 0 HA LEU A 115 -10.115 7.558 -3.499 1.00 0.00 H new ATOM 0 HB2 LEU A 115 -7.320 6.731 -3.576 1.00 0.00 H new ATOM 0 HB3 LEU A 115 -7.390 8.453 -3.261 1.00 0.00 H new ATOM 0 HG LEU A 115 -7.469 7.159 -1.148 1.00 0.00 H new ATOM 0 HD11 LEU A 115 -9.513 8.185 -0.184 1.00 0.00 H new ATOM 0 HD12 LEU A 115 -8.663 9.324 -1.256 1.00 0.00 H new ATOM 0 HD13 LEU A 115 -10.130 8.492 -1.825 1.00 0.00 H new ATOM 0 HD21 LEU A 115 -9.449 5.739 -0.647 1.00 0.00 H new ATOM 0 HD22 LEU A 115 -10.061 6.018 -2.295 1.00 0.00 H new ATOM 0 HD23 LEU A 115 -8.547 5.115 -2.049 1.00 0.00 H new ATOM 1730 N SER A 116 -8.104 9.517 -5.230 1.00 0.00 N ATOM 1731 CA SER A 116 -8.025 10.863 -5.888 1.00 0.00 C ATOM 1732 C SER A 116 -9.128 11.037 -6.952 1.00 0.00 C ATOM 1733 O SER A 116 -10.180 11.580 -6.659 1.00 0.00 O ATOM 1734 CB SER A 116 -6.639 11.024 -6.522 1.00 0.00 C ATOM 1735 OG SER A 116 -6.574 12.263 -7.216 1.00 0.00 O ATOM 0 H SER A 116 -7.207 9.038 -5.145 1.00 0.00 H new ATOM 0 HA SER A 116 -8.180 11.634 -5.133 1.00 0.00 H new ATOM 0 HB2 SER A 116 -5.869 10.986 -5.752 1.00 0.00 H new ATOM 0 HB3 SER A 116 -6.444 10.200 -7.209 1.00 0.00 H new ATOM 0 HG SER A 116 -5.687 12.366 -7.620 1.00 0.00 H new ATOM 1741 N LEU A 117 -8.887 10.604 -8.179 1.00 0.00 N ATOM 1742 CA LEU A 117 -9.905 10.763 -9.271 1.00 0.00 C ATOM 1743 C LEU A 117 -10.273 12.259 -9.396 1.00 0.00 C ATOM 1744 O LEU A 117 -9.581 13.003 -10.073 1.00 0.00 O ATOM 1745 CB LEU A 117 -11.143 9.909 -8.954 1.00 0.00 C ATOM 1746 CG LEU A 117 -11.039 8.557 -9.676 1.00 0.00 C ATOM 1747 CD1 LEU A 117 -10.674 7.461 -8.672 1.00 0.00 C ATOM 1748 CD2 LEU A 117 -12.383 8.215 -10.328 1.00 0.00 C ATOM 0 H LEU A 117 -8.022 10.146 -8.466 1.00 0.00 H new ATOM 0 HA LEU A 117 -9.497 10.421 -10.222 1.00 0.00 H new ATOM 0 HB2 LEU A 117 -11.223 9.752 -7.878 1.00 0.00 H new ATOM 0 HB3 LEU A 117 -12.047 10.431 -9.268 1.00 0.00 H new ATOM 0 HG LEU A 117 -10.266 8.622 -10.442 1.00 0.00 H new ATOM 0 HD11 LEU A 117 -10.601 6.504 -9.189 1.00 0.00 H new ATOM 0 HD12 LEU A 117 -9.716 7.697 -8.208 1.00 0.00 H new ATOM 0 HD13 LEU A 117 -11.444 7.401 -7.903 1.00 0.00 H new ATOM 0 HD21 LEU A 117 -12.306 7.255 -10.839 1.00 0.00 H new ATOM 0 HD22 LEU A 117 -13.155 8.156 -9.561 1.00 0.00 H new ATOM 0 HD23 LEU A 117 -12.646 8.990 -11.048 1.00 0.00 H new ATOM 1760 N LEU A 118 -11.344 12.706 -8.752 1.00 0.00 N ATOM 1761 CA LEU A 118 -11.747 14.151 -8.832 1.00 0.00 C ATOM 1762 C LEU A 118 -10.668 15.106 -8.270 1.00 0.00 C ATOM 1763 O LEU A 118 -10.770 16.309 -8.454 1.00 0.00 O ATOM 1764 CB LEU A 118 -13.046 14.360 -8.044 1.00 0.00 C ATOM 1765 CG LEU A 118 -14.267 13.987 -8.897 1.00 0.00 C ATOM 1766 CD1 LEU A 118 -14.341 14.901 -10.122 1.00 0.00 C ATOM 1767 CD2 LEU A 118 -14.165 12.526 -9.352 1.00 0.00 C ATOM 0 H LEU A 118 -11.952 12.125 -8.175 1.00 0.00 H new ATOM 0 HA LEU A 118 -11.882 14.387 -9.888 1.00 0.00 H new ATOM 0 HB2 LEU A 118 -13.030 13.752 -7.139 1.00 0.00 H new ATOM 0 HB3 LEU A 118 -13.122 15.400 -7.728 1.00 0.00 H new ATOM 0 HG LEU A 118 -15.168 14.112 -8.297 1.00 0.00 H new ATOM 0 HD11 LEU A 118 -15.209 14.633 -10.724 1.00 0.00 H new ATOM 0 HD12 LEU A 118 -14.431 15.938 -9.798 1.00 0.00 H new ATOM 0 HD13 LEU A 118 -13.436 14.785 -10.718 1.00 0.00 H new ATOM 0 HD21 LEU A 118 -15.036 12.271 -9.956 1.00 0.00 H new ATOM 0 HD22 LEU A 118 -13.260 12.392 -9.945 1.00 0.00 H new ATOM 0 HD23 LEU A 118 -14.126 11.875 -8.479 1.00 0.00 H new ATOM 1779 N GLY A 119 -9.656 14.601 -7.587 1.00 0.00 N ATOM 1780 CA GLY A 119 -8.589 15.480 -7.006 1.00 0.00 C ATOM 1781 C GLY A 119 -7.980 16.372 -8.090 1.00 0.00 C ATOM 1782 O GLY A 119 -7.336 15.892 -9.010 1.00 0.00 O ATOM 0 H GLY A 119 -9.528 13.605 -7.408 1.00 0.00 H new ATOM 0 HA2 GLY A 119 -9.010 16.098 -6.213 1.00 0.00 H new ATOM 0 HA3 GLY A 119 -7.811 14.866 -6.552 1.00 0.00 H new ATOM 1786 N ALA A 120 -8.175 17.669 -7.970 1.00 0.00 N ATOM 1787 CA ALA A 120 -7.613 18.634 -8.964 1.00 0.00 C ATOM 1788 C ALA A 120 -6.462 19.410 -8.304 1.00 0.00 C ATOM 1789 O ALA A 120 -6.533 20.613 -8.086 1.00 0.00 O ATOM 1790 CB ALA A 120 -8.720 19.589 -9.425 1.00 0.00 C ATOM 0 H ALA A 120 -8.707 18.100 -7.214 1.00 0.00 H new ATOM 0 HA ALA A 120 -7.229 18.104 -9.836 1.00 0.00 H new ATOM 0 HB1 ALA A 120 -8.314 20.294 -10.150 1.00 0.00 H new ATOM 0 HB2 ALA A 120 -9.525 19.017 -9.887 1.00 0.00 H new ATOM 0 HB3 ALA A 120 -9.110 20.136 -8.566 1.00 0.00 H new ATOM 1796 N GLY A 121 -5.399 18.707 -7.986 1.00 0.00 N ATOM 1797 CA GLY A 121 -4.209 19.344 -7.336 1.00 0.00 C ATOM 1798 C GLY A 121 -3.668 20.470 -8.222 1.00 0.00 C ATOM 1799 O GLY A 121 -2.981 21.359 -7.744 1.00 0.00 O ATOM 0 H GLY A 121 -5.305 17.705 -8.152 1.00 0.00 H new ATOM 0 HA2 GLY A 121 -4.487 19.740 -6.359 1.00 0.00 H new ATOM 0 HA3 GLY A 121 -3.433 18.597 -7.168 1.00 0.00 H new ATOM 1803 N GLU A 122 -3.973 20.435 -9.508 1.00 0.00 N ATOM 1804 CA GLU A 122 -3.480 21.500 -10.441 1.00 0.00 C ATOM 1805 C GLU A 122 -4.618 22.471 -10.755 1.00 0.00 C ATOM 1806 O GLU A 122 -4.334 23.643 -10.945 1.00 0.00 O ATOM 1807 CB GLU A 122 -2.986 20.862 -11.743 1.00 0.00 C ATOM 1808 CG GLU A 122 -2.009 19.727 -11.430 1.00 0.00 C ATOM 1809 CD GLU A 122 -1.166 19.431 -12.671 1.00 0.00 C ATOM 1810 OE1 GLU A 122 -1.750 19.142 -13.703 1.00 0.00 O ATOM 1811 OE2 GLU A 122 0.046 19.502 -12.570 1.00 0.00 O ATOM 1812 OXT GLU A 122 -5.755 22.030 -10.800 1.00 0.00 O ATOM 0 H GLU A 122 -4.543 19.711 -9.946 1.00 0.00 H new ATOM 0 HA GLU A 122 -2.659 22.038 -9.967 1.00 0.00 H new ATOM 0 HB2 GLU A 122 -3.832 20.478 -12.314 1.00 0.00 H new ATOM 0 HB3 GLU A 122 -2.497 21.613 -12.364 1.00 0.00 H new ATOM 0 HG2 GLU A 122 -1.365 20.006 -10.596 1.00 0.00 H new ATOM 0 HG3 GLU A 122 -2.556 18.834 -11.126 1.00 0.00 H new TER 1819 GLU A 122