USER MOD reduce.3.24.130724 H: found=0, std=0, add=965, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 955 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 64 TYR OH : rot 38:sc= 0.0102 USER MOD Set 1.2: A 66 GLN : amide:sc= -0.847 K(o=-1.2,f=-3.5) USER MOD Set 1.3: A 71 CYS SG : rot 78:sc= 0.919 USER MOD Set 1.4: A 93 ASN : amide:sc= -1.27! C(o=-1.2!,f=-2!) USER MOD Set 2.1: A 59 CYS SG : rot -157:sc= -0.854 USER MOD Set 2.2: A 117 TYR OH : rot 58:sc= 0.0488 USER MOD Set 3.1: A 26 SER OG : rot -82:sc= 1.26 USER MOD Set 3.2: A 130 MET CE :methyl -138:sc= -2.42 (180deg=-6.23!) USER MOD Set 4.1: A 25 HIS : no HD1:sc= -0.0826 X(o=-0.54,f=-0.81) USER MOD Set 4.2: A 29 ASN : amide:sc= -0.454 K(o=-0.54,f=-2.7) USER MOD Single : A 3 LYS NZ :NH3+ -168:sc= 0 (180deg=-0.352) USER MOD Single : A 4 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.055) USER MOD Single : A 5 THR OG1 : rot -150:sc= 0.49 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 THR OG1 : rot -56:sc= 0.0646 USER MOD Single : A 33 ASN : amide:sc= -0.13 K(o=-0.13,f=-1.5!) USER MOD Single : A 36 ASN : amide:sc= 0.018 K(o=0.018,f=-0.9) USER MOD Single : A 41 SER OG : rot -140:sc= -0.0143 USER MOD Single : A 42 SER OG : rot 99:sc= 0.0809 USER MOD Single : A 43 GLN : amide:sc= -3.08 X(o=-3.1,f=-2.7!) USER MOD Single : A 48 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 53 THR OG1 : rot -120:sc= 0 USER MOD Single : A 54 LYS NZ :NH3+ 148:sc= -0.315 (180deg=-1.71!) USER MOD Single : A 61 SER OG : rot 70:sc= 0.415 USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 72 LYS NZ :NH3+ -150:sc= 0.0541 (180deg=-0.169) USER MOD Single : A 77 LYS NZ :NH3+ 149:sc=-0.00968 (180deg=-1.66) USER MOD Single : A 78 CYS SG : rot 79:sc= -0.789 USER MOD Single : A 84 LYS NZ :NH3+ 139:sc= -1.82 (180deg=-3.88!) USER MOD Single : A 87 LYS NZ :NH3+ 176:sc= -0.0163 (180deg=-0.0955) USER MOD Single : A 98 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0205) USER MOD Single : A 99 GLN : amide:sc= -0.815 X(o=-0.82,f=-0.81) USER MOD Single : A 100 ASN : amide:sc= -0.0523 K(o=-0.052,f=-0.59) USER MOD Single : A 106 GLN : amide:sc= 0 K(o=0,f=-0.95) USER MOD Single : A 109 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 111 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 121 THR OG1 : rot 180:sc= 0 USER MOD Single : A 122 SER OG : rot 33:sc= 0.332 USER MOD Single : A 125 THR OG1 : rot -120:sc= 0.00412 USER MOD Single : A 126 THR OG1 : rot 180:sc= 0 USER MOD Single : A 131 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 20 N GLU A 2 -4.702 6.322 13.003 1.00 0.00 N ATOM 21 CA GLU A 2 -5.770 5.429 12.582 1.00 0.00 C ATOM 22 C GLU A 2 -6.678 6.275 11.688 1.00 0.00 C ATOM 23 O GLU A 2 -7.712 6.779 12.111 1.00 0.00 O ATOM 24 CB GLU A 2 -6.549 4.837 13.775 1.00 0.00 C ATOM 25 CG GLU A 2 -5.707 3.897 14.653 1.00 0.00 C ATOM 26 CD GLU A 2 -6.585 3.174 15.688 1.00 0.00 C ATOM 27 OE1 GLU A 2 -7.124 2.114 15.368 1.00 0.00 O ATOM 28 OE2 GLU A 2 -6.720 3.677 16.803 1.00 0.00 O ATOM 0 HA GLU A 2 -5.368 4.564 12.054 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -6.929 5.652 14.391 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -7.414 4.291 13.399 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -5.201 3.164 14.025 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -4.932 4.468 15.164 1.00 0.00 H new ATOM 35 N LYS A 3 -6.226 6.378 10.418 1.00 0.00 N ATOM 36 CA LYS A 3 -6.927 7.116 9.396 1.00 0.00 C ATOM 37 C LYS A 3 -7.921 6.139 8.771 1.00 0.00 C ATOM 38 O LYS A 3 -8.290 5.136 9.364 1.00 0.00 O ATOM 39 CB LYS A 3 -5.935 7.750 8.409 1.00 0.00 C ATOM 40 CG LYS A 3 -5.265 8.967 9.025 1.00 0.00 C ATOM 41 CD LYS A 3 -4.198 9.560 8.105 1.00 0.00 C ATOM 42 CE LYS A 3 -3.573 10.838 8.672 1.00 0.00 C ATOM 43 NZ LYS A 3 -4.530 11.934 8.775 1.00 0.00 N ATOM 0 H LYS A 3 -5.362 5.944 10.094 1.00 0.00 H new ATOM 0 HA LYS A 3 -7.481 7.967 9.791 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -5.179 7.018 8.125 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -6.457 8.039 7.497 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -6.018 9.724 9.242 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -4.810 8.688 9.975 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -3.415 8.820 7.939 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -4.642 9.778 7.133 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -3.159 10.629 9.658 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -2.742 11.145 8.036 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -4.022 12.821 8.967 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -5.055 12.022 7.881 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -5.196 11.741 9.550 1.00 0.00 H new ATOM 56 N LYS A 4 -8.333 6.509 7.543 1.00 0.00 N ATOM 57 CA LYS A 4 -9.296 5.712 6.825 1.00 0.00 C ATOM 58 C LYS A 4 -9.086 5.943 5.319 1.00 0.00 C ATOM 59 O LYS A 4 -9.971 6.434 4.631 1.00 0.00 O ATOM 60 CB LYS A 4 -10.718 6.087 7.306 1.00 0.00 C ATOM 61 CG LYS A 4 -11.052 7.591 7.248 1.00 0.00 C ATOM 62 CD LYS A 4 -10.772 8.343 8.560 1.00 0.00 C ATOM 63 CE LYS A 4 -11.141 9.828 8.474 1.00 0.00 C ATOM 64 NZ LYS A 4 -12.573 10.050 8.313 1.00 0.00 N ATOM 0 H LYS A 4 -8.010 7.342 7.051 1.00 0.00 H new ATOM 0 HA LYS A 4 -9.167 4.647 7.017 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -11.444 5.546 6.700 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -10.840 5.743 8.333 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -10.474 8.051 6.447 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -12.104 7.710 6.990 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -11.335 7.878 9.369 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -9.716 8.248 8.811 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -10.799 10.335 9.377 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -10.612 10.280 7.635 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -12.774 11.069 8.363 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -12.880 9.681 7.390 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -13.088 9.558 9.071 1.00 0.00 H new ATOM 77 N THR A 5 -7.883 5.547 4.839 1.00 0.00 N ATOM 78 CA THR A 5 -7.584 5.651 3.412 1.00 0.00 C ATOM 79 C THR A 5 -6.603 4.507 3.119 1.00 0.00 C ATOM 80 O THR A 5 -5.443 4.502 3.525 1.00 0.00 O ATOM 81 CB THR A 5 -6.983 7.000 2.939 1.00 0.00 C ATOM 82 OG1 THR A 5 -5.734 7.355 3.589 1.00 0.00 O ATOM 83 CG2 THR A 5 -8.065 8.116 2.783 1.00 0.00 C ATOM 0 H THR A 5 -7.130 5.164 5.410 1.00 0.00 H new ATOM 0 HA THR A 5 -8.524 5.590 2.863 1.00 0.00 H new ATOM 0 HB THR A 5 -6.638 6.860 1.915 1.00 0.00 H new ATOM 0 HG1 THR A 5 -5.658 8.331 3.641 1.00 0.00 H new ATOM 0 HG21 THR A 5 -7.590 9.039 2.450 1.00 0.00 H new ATOM 0 HG22 THR A 5 -8.807 7.804 2.048 1.00 0.00 H new ATOM 0 HG23 THR A 5 -8.554 8.285 3.742 1.00 0.00 H new ATOM 91 N ILE A 6 -7.181 3.547 2.364 1.00 0.00 N ATOM 92 CA ILE A 6 -6.487 2.369 1.918 1.00 0.00 C ATOM 93 C ILE A 6 -6.763 2.308 0.418 1.00 0.00 C ATOM 94 O ILE A 6 -7.873 2.034 -0.011 1.00 0.00 O ATOM 95 CB ILE A 6 -6.904 1.105 2.737 1.00 0.00 C ATOM 96 CG1 ILE A 6 -7.227 1.338 4.258 1.00 0.00 C ATOM 97 CG2 ILE A 6 -6.966 -0.194 1.853 1.00 0.00 C ATOM 98 CD1 ILE A 6 -8.533 2.043 4.729 1.00 0.00 C ATOM 0 H ILE A 6 -8.153 3.590 2.056 1.00 0.00 H new ATOM 0 HA ILE A 6 -5.411 2.403 2.090 1.00 0.00 H new ATOM 0 HB ILE A 6 -7.038 0.304 3.464 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -7.209 0.359 4.736 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -6.396 1.909 4.671 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -7.260 -1.042 2.472 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -7.696 -0.057 1.055 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -5.985 -0.386 1.418 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -8.546 2.095 5.818 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -8.571 3.051 4.317 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -9.397 1.477 4.383 1.00 0.00 H new ATOM 110 N VAL A 7 -5.683 2.581 -0.350 1.00 0.00 N ATOM 111 CA VAL A 7 -5.731 2.567 -1.805 1.00 0.00 C ATOM 112 C VAL A 7 -5.382 1.128 -2.225 1.00 0.00 C ATOM 113 O VAL A 7 -4.266 0.659 -2.040 1.00 0.00 O ATOM 114 CB VAL A 7 -4.776 3.667 -2.461 1.00 0.00 C ATOM 115 CG1 VAL A 7 -4.968 5.181 -2.905 1.00 0.00 C ATOM 116 CG2 VAL A 7 -3.424 3.630 -1.712 1.00 0.00 C ATOM 0 H VAL A 7 -4.766 2.814 0.032 1.00 0.00 H new ATOM 0 HA VAL A 7 -6.721 2.840 -2.170 1.00 0.00 H new ATOM 0 HB VAL A 7 -5.026 3.282 -3.449 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -4.033 5.561 -3.316 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -5.749 5.242 -3.663 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -5.254 5.780 -2.041 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -2.751 4.373 -2.140 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -3.586 3.852 -0.657 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -2.981 2.639 -1.810 1.00 0.00 H new ATOM 126 N LEU A 8 -6.427 0.457 -2.782 1.00 0.00 N ATOM 127 CA LEU A 8 -6.283 -0.939 -3.177 1.00 0.00 C ATOM 128 C LEU A 8 -6.671 -1.086 -4.652 1.00 0.00 C ATOM 129 O LEU A 8 -7.533 -0.391 -5.176 1.00 0.00 O ATOM 130 CB LEU A 8 -7.117 -1.850 -2.242 1.00 0.00 C ATOM 131 CG LEU A 8 -8.545 -2.196 -2.763 1.00 0.00 C ATOM 132 CD1 LEU A 8 -9.492 -0.963 -2.658 1.00 0.00 C ATOM 133 CD2 LEU A 8 -8.852 -3.510 -3.538 1.00 0.00 C ATOM 0 H LEU A 8 -7.347 0.861 -2.957 1.00 0.00 H new ATOM 0 HA LEU A 8 -5.246 -1.258 -3.074 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -6.570 -2.779 -2.082 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -7.209 -1.363 -1.271 1.00 0.00 H new ATOM 0 HG LEU A 8 -9.085 -3.018 -2.293 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -10.481 -1.232 -3.028 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -9.567 -0.649 -1.617 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -9.091 -0.144 -3.256 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -9.909 -3.538 -3.802 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -8.250 -3.546 -4.446 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -8.612 -4.368 -2.910 1.00 0.00 H new ATOM 145 N GLY A 9 -5.964 -2.071 -5.259 1.00 0.00 N ATOM 146 CA GLY A 9 -6.185 -2.460 -6.648 1.00 0.00 C ATOM 147 C GLY A 9 -4.973 -3.213 -7.189 1.00 0.00 C ATOM 148 O GLY A 9 -4.127 -3.648 -6.425 1.00 0.00 O ATOM 0 H GLY A 9 -5.233 -2.607 -4.792 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -7.073 -3.088 -6.719 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -6.371 -1.574 -7.255 1.00 0.00 H new ATOM 152 N VAL A 10 -4.974 -3.324 -8.543 1.00 0.00 N ATOM 153 CA VAL A 10 -3.948 -3.956 -9.399 1.00 0.00 C ATOM 154 C VAL A 10 -4.440 -5.281 -10.070 1.00 0.00 C ATOM 155 O VAL A 10 -5.319 -5.254 -10.923 1.00 0.00 O ATOM 156 CB VAL A 10 -2.436 -3.784 -8.949 1.00 0.00 C ATOM 157 CG1 VAL A 10 -1.572 -4.202 -7.702 1.00 0.00 C ATOM 158 CG2 VAL A 10 -1.573 -4.168 -10.175 1.00 0.00 C ATOM 0 H VAL A 10 -5.744 -2.948 -9.097 1.00 0.00 H new ATOM 0 HA VAL A 10 -3.835 -3.324 -10.280 1.00 0.00 H new ATOM 0 HB VAL A 10 -2.675 -2.816 -8.508 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -0.547 -3.856 -7.837 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -1.991 -3.753 -6.802 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -1.578 -5.287 -7.602 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -0.517 -4.068 -9.923 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -1.782 -5.200 -10.458 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -1.811 -3.507 -11.009 1.00 0.00 H new ATOM 168 N ILE A 11 -3.801 -6.402 -9.656 1.00 0.00 N ATOM 169 CA ILE A 11 -3.979 -7.796 -10.107 1.00 0.00 C ATOM 170 C ILE A 11 -3.778 -7.907 -11.635 1.00 0.00 C ATOM 171 O ILE A 11 -3.948 -6.979 -12.416 1.00 0.00 O ATOM 172 CB ILE A 11 -5.261 -8.556 -9.604 1.00 0.00 C ATOM 173 CG1 ILE A 11 -5.185 -10.122 -9.566 1.00 0.00 C ATOM 174 CG2 ILE A 11 -6.469 -7.589 -9.400 1.00 0.00 C ATOM 175 CD1 ILE A 11 -3.935 -10.772 -8.923 1.00 0.00 C ATOM 0 H ILE A 11 -3.084 -6.344 -8.933 1.00 0.00 H new ATOM 0 HA ILE A 11 -3.186 -8.343 -9.596 1.00 0.00 H new ATOM 0 HB ILE A 11 -5.716 -9.085 -8.767 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -6.063 -10.486 -9.033 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -5.261 -10.485 -10.591 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -7.333 -8.155 -9.052 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -6.209 -6.833 -8.660 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -6.710 -7.103 -10.346 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -4.024 -11.857 -8.970 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -3.042 -10.458 -9.464 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -3.857 -10.459 -7.882 1.00 0.00 H new ATOM 187 N GLY A 12 -3.383 -9.160 -11.972 1.00 0.00 N ATOM 188 CA GLY A 12 -3.107 -9.637 -13.316 1.00 0.00 C ATOM 189 C GLY A 12 -2.873 -11.152 -13.223 1.00 0.00 C ATOM 190 O GLY A 12 -1.750 -11.641 -13.264 1.00 0.00 O ATOM 0 H GLY A 12 -3.247 -9.886 -11.268 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -3.942 -9.417 -13.981 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -2.231 -9.137 -13.729 1.00 0.00 H new ATOM 292 N LYS A 21 -10.356 -8.901 -4.631 1.00 0.00 N ATOM 293 CA LYS A 21 -11.193 -10.009 -4.199 1.00 0.00 C ATOM 294 C LYS A 21 -11.684 -9.627 -2.821 1.00 0.00 C ATOM 295 O LYS A 21 -11.336 -10.101 -1.747 1.00 0.00 O ATOM 296 CB LYS A 21 -10.363 -11.306 -4.219 1.00 0.00 C ATOM 297 CG LYS A 21 -11.174 -12.606 -4.098 1.00 0.00 C ATOM 298 CD LYS A 21 -11.644 -12.925 -2.672 1.00 0.00 C ATOM 299 CE LYS A 21 -12.182 -14.352 -2.540 1.00 0.00 C ATOM 300 NZ LYS A 21 -12.635 -14.646 -1.185 1.00 0.00 N ATOM 0 HA LYS A 21 -12.047 -10.195 -4.850 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -9.792 -11.338 -5.147 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -9.642 -11.269 -3.402 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -12.046 -12.539 -4.749 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -10.567 -13.435 -4.462 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -10.814 -12.787 -1.979 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -12.422 -12.218 -2.382 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -13.009 -14.493 -3.236 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -11.403 -15.060 -2.823 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -12.991 -15.622 -1.142 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -11.841 -14.537 -0.522 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -13.397 -13.988 -0.923 1.00 0.00 H new ATOM 313 N ILE A 22 -12.539 -8.655 -3.063 1.00 0.00 N ATOM 314 CA ILE A 22 -13.344 -7.894 -2.180 1.00 0.00 C ATOM 315 C ILE A 22 -12.480 -7.394 -0.996 1.00 0.00 C ATOM 316 O ILE A 22 -12.866 -7.441 0.167 1.00 0.00 O ATOM 317 CB ILE A 22 -14.633 -8.703 -1.889 1.00 0.00 C ATOM 318 CG1 ILE A 22 -14.939 -9.895 -2.815 1.00 0.00 C ATOM 319 CG2 ILE A 22 -15.712 -7.729 -1.329 1.00 0.00 C ATOM 320 CD1 ILE A 22 -16.288 -10.595 -2.546 1.00 0.00 C ATOM 0 H ILE A 22 -12.692 -8.353 -4.025 1.00 0.00 H new ATOM 0 HA ILE A 22 -13.718 -6.959 -2.598 1.00 0.00 H new ATOM 0 HB ILE A 22 -14.520 -9.414 -1.071 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -14.926 -9.547 -3.848 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -14.139 -10.629 -2.716 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -16.627 -8.282 -1.118 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -15.346 -7.270 -0.411 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -15.919 -6.953 -2.066 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -16.415 -11.421 -3.246 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -16.302 -10.979 -1.526 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -17.101 -9.881 -2.676 1.00 0.00 H new ATOM 332 N LEU A 23 -11.274 -6.896 -1.384 1.00 0.00 N ATOM 333 CA LEU A 23 -10.361 -6.228 -0.459 1.00 0.00 C ATOM 334 C LEU A 23 -11.092 -4.903 -0.136 1.00 0.00 C ATOM 335 O LEU A 23 -10.819 -4.269 0.869 1.00 0.00 O ATOM 336 CB LEU A 23 -8.970 -5.926 -1.090 1.00 0.00 C ATOM 337 CG LEU A 23 -7.755 -6.697 -0.410 1.00 0.00 C ATOM 338 CD1 LEU A 23 -6.217 -6.885 -0.738 1.00 0.00 C ATOM 339 CD2 LEU A 23 -7.675 -6.047 0.985 1.00 0.00 C ATOM 0 H LEU A 23 -10.924 -6.953 -2.341 1.00 0.00 H new ATOM 0 HA LEU A 23 -10.147 -6.850 0.410 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -9.001 -6.185 -2.148 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -8.783 -4.854 -1.030 1.00 0.00 H new ATOM 0 HG LEU A 23 -8.079 -7.681 -0.748 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -5.756 -7.512 0.025 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -6.108 -7.361 -1.713 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -5.726 -5.912 -0.752 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -6.864 -6.503 1.553 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -7.488 -4.979 0.878 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -8.617 -6.199 1.512 1.00 0.00 H new ATOM 351 N ASP A 24 -12.043 -4.508 -1.028 1.00 0.00 N ATOM 352 CA ASP A 24 -12.832 -3.313 -0.740 1.00 0.00 C ATOM 353 C ASP A 24 -13.706 -3.613 0.510 1.00 0.00 C ATOM 354 O ASP A 24 -14.181 -2.707 1.180 1.00 0.00 O ATOM 355 CB ASP A 24 -13.717 -2.914 -1.935 1.00 0.00 C ATOM 356 CG ASP A 24 -12.878 -2.558 -3.176 1.00 0.00 C ATOM 357 OD1 ASP A 24 -12.508 -3.466 -3.920 1.00 0.00 O ATOM 358 OD2 ASP A 24 -12.613 -1.375 -3.389 1.00 0.00 O ATOM 0 H ASP A 24 -12.263 -4.982 -1.904 1.00 0.00 H new ATOM 0 HA ASP A 24 -12.165 -2.472 -0.551 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -14.393 -3.735 -2.177 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -14.337 -2.061 -1.659 1.00 0.00 H new ATOM 363 N HIS A 25 -13.886 -4.916 0.817 1.00 0.00 N ATOM 364 CA HIS A 25 -14.677 -5.281 1.992 1.00 0.00 C ATOM 365 C HIS A 25 -13.846 -4.929 3.225 1.00 0.00 C ATOM 366 O HIS A 25 -14.388 -4.641 4.280 1.00 0.00 O ATOM 367 CB HIS A 25 -15.066 -6.772 2.056 1.00 0.00 C ATOM 368 CG HIS A 25 -16.104 -7.040 3.128 1.00 0.00 C ATOM 369 ND1 HIS A 25 -17.032 -6.147 3.539 1.00 0.00 N ATOM 370 CD2 HIS A 25 -16.295 -8.231 3.848 1.00 0.00 C ATOM 371 CE1 HIS A 25 -17.761 -6.775 4.477 1.00 0.00 C ATOM 372 NE2 HIS A 25 -17.340 -8.036 4.684 1.00 0.00 N ATOM 0 H HIS A 25 -13.507 -5.700 0.285 1.00 0.00 H new ATOM 0 HA HIS A 25 -15.617 -4.731 1.941 1.00 0.00 H new ATOM 0 HB2 HIS A 25 -15.454 -7.088 1.088 1.00 0.00 H new ATOM 0 HB3 HIS A 25 -14.177 -7.371 2.254 1.00 0.00 H new ATOM 0 HD2 HIS A 25 -15.714 -9.136 3.752 1.00 0.00 H new ATOM 0 HE1 HIS A 25 -18.588 -6.321 5.003 1.00 0.00 H new ATOM 0 HE2 HIS A 25 -17.731 -8.711 5.341 1.00 0.00 H new ATOM 380 N SER A 26 -12.511 -4.958 3.016 1.00 0.00 N ATOM 381 CA SER A 26 -11.537 -4.666 4.064 1.00 0.00 C ATOM 382 C SER A 26 -11.797 -3.291 4.668 1.00 0.00 C ATOM 383 O SER A 26 -11.693 -3.098 5.875 1.00 0.00 O ATOM 384 CB SER A 26 -10.059 -4.794 3.606 1.00 0.00 C ATOM 385 OG SER A 26 -9.405 -3.707 2.831 1.00 0.00 O ATOM 0 H SER A 26 -12.090 -5.185 2.115 1.00 0.00 H new ATOM 0 HA SER A 26 -11.678 -5.432 4.826 1.00 0.00 H new ATOM 0 HB2 SER A 26 -9.459 -4.954 4.502 1.00 0.00 H new ATOM 0 HB3 SER A 26 -9.987 -5.702 3.007 1.00 0.00 H new ATOM 0 HG SER A 26 -9.640 -3.794 1.883 1.00 0.00 H new ATOM 391 N PHE A 27 -12.151 -2.360 3.766 1.00 0.00 N ATOM 392 CA PHE A 27 -12.408 -0.982 4.178 1.00 0.00 C ATOM 393 C PHE A 27 -13.546 -0.963 5.195 1.00 0.00 C ATOM 394 O PHE A 27 -13.521 -0.260 6.194 1.00 0.00 O ATOM 395 CB PHE A 27 -12.601 -0.034 2.963 1.00 0.00 C ATOM 396 CG PHE A 27 -14.004 0.335 2.513 1.00 0.00 C ATOM 397 CD1 PHE A 27 -14.909 0.983 3.350 1.00 0.00 C ATOM 398 CD2 PHE A 27 -14.409 0.056 1.212 1.00 0.00 C ATOM 399 CE1 PHE A 27 -16.182 1.320 2.912 1.00 0.00 C ATOM 400 CE2 PHE A 27 -15.678 0.392 0.762 1.00 0.00 C ATOM 401 CZ PHE A 27 -16.569 1.024 1.615 1.00 0.00 C ATOM 0 H PHE A 27 -12.262 -2.537 2.768 1.00 0.00 H new ATOM 0 HA PHE A 27 -11.530 -0.577 4.681 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -12.076 0.895 3.188 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -12.095 -0.488 2.111 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -14.614 1.228 4.360 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -13.721 -0.433 0.538 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -16.871 1.813 3.582 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -15.971 0.161 -0.252 1.00 0.00 H new ATOM 0 HZ PHE A 27 -17.559 1.284 1.271 1.00 0.00 H new ATOM 411 N THR A 28 -14.523 -1.803 4.854 1.00 0.00 N ATOM 412 CA THR A 28 -15.758 -1.955 5.586 1.00 0.00 C ATOM 413 C THR A 28 -15.582 -2.780 6.864 1.00 0.00 C ATOM 414 O THR A 28 -16.367 -2.695 7.800 1.00 0.00 O ATOM 415 CB THR A 28 -16.740 -2.554 4.534 1.00 0.00 C ATOM 416 OG1 THR A 28 -16.427 -2.365 3.108 1.00 0.00 O ATOM 417 CG2 THR A 28 -18.205 -2.205 4.877 1.00 0.00 C ATOM 0 H THR A 28 -14.465 -2.409 4.036 1.00 0.00 H new ATOM 0 HA THR A 28 -16.148 -1.018 5.984 1.00 0.00 H new ATOM 0 HB THR A 28 -16.586 -3.628 4.638 1.00 0.00 H new ATOM 0 HG1 THR A 28 -16.330 -1.408 2.918 1.00 0.00 H new ATOM 0 HG21 THR A 28 -18.867 -2.636 4.126 1.00 0.00 H new ATOM 0 HG22 THR A 28 -18.456 -2.610 5.857 1.00 0.00 H new ATOM 0 HG23 THR A 28 -18.328 -1.122 4.890 1.00 0.00 H new ATOM 425 N ASN A 29 -14.508 -3.555 6.832 1.00 0.00 N ATOM 426 CA ASN A 29 -14.091 -4.463 7.870 1.00 0.00 C ATOM 427 C ASN A 29 -13.302 -3.688 8.917 1.00 0.00 C ATOM 428 O ASN A 29 -12.914 -4.266 9.926 1.00 0.00 O ATOM 429 CB ASN A 29 -13.284 -5.676 7.350 1.00 0.00 C ATOM 430 CG ASN A 29 -14.132 -6.582 6.447 1.00 0.00 C ATOM 431 OD1 ASN A 29 -15.353 -6.608 6.525 1.00 0.00 O ATOM 432 ND2 ASN A 29 -13.401 -7.317 5.590 1.00 0.00 N ATOM 0 H ASN A 29 -13.874 -3.561 6.033 1.00 0.00 H new ATOM 0 HA ASN A 29 -14.991 -4.889 8.313 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -12.414 -5.323 6.796 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -12.911 -6.253 8.196 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -13.863 -7.955 4.942 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -12.384 -7.237 5.588 1.00 0.00 H new ATOM 439 N ALA A 30 -13.080 -2.379 8.660 1.00 0.00 N ATOM 440 CA ALA A 30 -12.359 -1.556 9.586 1.00 0.00 C ATOM 441 C ALA A 30 -13.227 -0.340 9.901 1.00 0.00 C ATOM 442 O ALA A 30 -12.890 0.448 10.776 1.00 0.00 O ATOM 443 CB ALA A 30 -11.017 -1.143 8.976 1.00 0.00 C ATOM 0 H ALA A 30 -13.397 -1.897 7.819 1.00 0.00 H new ATOM 0 HA ALA A 30 -12.145 -2.097 10.508 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -10.473 -0.518 9.684 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -10.430 -2.033 8.752 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -11.192 -0.583 8.057 1.00 0.00 H new ATOM 449 N GLY A 31 -14.355 -0.216 9.161 1.00 0.00 N ATOM 450 CA GLY A 31 -15.228 0.934 9.325 1.00 0.00 C ATOM 451 C GLY A 31 -14.507 2.210 8.851 1.00 0.00 C ATOM 452 O GLY A 31 -14.844 3.319 9.247 1.00 0.00 O ATOM 0 H GLY A 31 -14.663 -0.892 8.462 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -16.145 0.790 8.754 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -15.517 1.036 10.371 1.00 0.00 H new ATOM 456 N PHE A 32 -13.490 1.964 7.983 1.00 0.00 N ATOM 457 CA PHE A 32 -12.665 3.040 7.446 1.00 0.00 C ATOM 458 C PHE A 32 -13.233 3.310 6.045 1.00 0.00 C ATOM 459 O PHE A 32 -14.412 3.085 5.802 1.00 0.00 O ATOM 460 CB PHE A 32 -11.185 2.585 7.462 1.00 0.00 C ATOM 461 CG PHE A 32 -10.508 2.591 8.820 1.00 0.00 C ATOM 462 CD1 PHE A 32 -11.180 2.842 10.017 1.00 0.00 C ATOM 463 CD2 PHE A 32 -9.144 2.325 8.884 1.00 0.00 C ATOM 464 CE1 PHE A 32 -10.516 2.793 11.236 1.00 0.00 C ATOM 465 CE2 PHE A 32 -8.479 2.265 10.100 1.00 0.00 C ATOM 466 CZ PHE A 32 -9.163 2.500 11.281 1.00 0.00 C ATOM 0 H PHE A 32 -13.236 1.033 7.652 1.00 0.00 H new ATOM 0 HA PHE A 32 -12.687 3.965 8.023 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -11.130 1.576 7.054 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -10.618 3.231 6.791 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -12.234 3.078 9.995 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -8.592 2.162 7.970 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -11.056 2.984 12.151 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -7.424 2.034 10.126 1.00 0.00 H new ATOM 0 HZ PHE A 32 -8.646 2.455 12.228 1.00 0.00 H new ATOM 476 N ASN A 33 -12.352 3.821 5.151 1.00 0.00 N ATOM 477 CA ASN A 33 -12.767 4.129 3.792 1.00 0.00 C ATOM 478 C ASN A 33 -11.590 3.734 2.904 1.00 0.00 C ATOM 479 O ASN A 33 -10.420 3.909 3.229 1.00 0.00 O ATOM 480 CB ASN A 33 -13.113 5.623 3.632 1.00 0.00 C ATOM 481 CG ASN A 33 -14.277 6.031 4.544 1.00 0.00 C ATOM 482 OD1 ASN A 33 -14.090 6.614 5.605 1.00 0.00 O ATOM 483 ND2 ASN A 33 -15.483 5.684 4.058 1.00 0.00 N ATOM 0 H ASN A 33 -11.373 4.020 5.356 1.00 0.00 H new ATOM 0 HA ASN A 33 -13.673 3.587 3.521 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -12.237 6.228 3.866 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -13.374 5.828 2.594 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -16.328 5.906 4.584 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -15.552 5.199 3.163 1.00 0.00 H new ATOM 490 N VAL A 34 -11.996 3.214 1.732 1.00 0.00 N ATOM 491 CA VAL A 34 -11.051 2.764 0.742 1.00 0.00 C ATOM 492 C VAL A 34 -10.931 3.875 -0.300 1.00 0.00 C ATOM 493 O VAL A 34 -11.635 4.878 -0.282 1.00 0.00 O ATOM 494 CB VAL A 34 -11.630 1.447 0.164 1.00 0.00 C ATOM 495 CG1 VAL A 34 -12.724 1.751 -0.946 1.00 0.00 C ATOM 496 CG2 VAL A 34 -10.520 0.342 0.364 1.00 0.00 C ATOM 0 H VAL A 34 -12.974 3.103 1.465 1.00 0.00 H new ATOM 0 HA VAL A 34 -10.052 2.564 1.128 1.00 0.00 H new ATOM 0 HB VAL A 34 -12.393 0.775 0.557 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -13.116 0.812 -1.337 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -13.537 2.329 -0.507 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -12.271 2.321 -1.757 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -10.879 -0.610 -0.028 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -9.615 0.635 -0.168 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -10.299 0.236 1.426 1.00 0.00 H new ATOM 506 N VAL A 35 -9.974 3.599 -1.193 1.00 0.00 N ATOM 507 CA VAL A 35 -9.655 4.477 -2.296 1.00 0.00 C ATOM 508 C VAL A 35 -9.399 3.548 -3.483 1.00 0.00 C ATOM 509 O VAL A 35 -8.302 3.046 -3.695 1.00 0.00 O ATOM 510 CB VAL A 35 -8.425 5.363 -1.919 1.00 0.00 C ATOM 511 CG1 VAL A 35 -8.114 6.342 -3.086 1.00 0.00 C ATOM 512 CG2 VAL A 35 -7.866 5.623 -0.491 1.00 0.00 C ATOM 0 H VAL A 35 -9.404 2.754 -1.160 1.00 0.00 H new ATOM 0 HA VAL A 35 -10.451 5.179 -2.543 1.00 0.00 H new ATOM 0 HB VAL A 35 -7.676 4.609 -1.676 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -7.256 6.960 -2.823 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -7.889 5.773 -3.988 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -8.979 6.980 -3.266 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -7.001 6.283 -0.554 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -8.636 6.091 0.122 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -7.568 4.677 -0.039 1.00 0.00 H new ATOM 522 N ASN A 36 -10.502 3.339 -4.231 1.00 0.00 N ATOM 523 CA ASN A 36 -10.412 2.453 -5.388 1.00 0.00 C ATOM 524 C ASN A 36 -9.526 3.153 -6.440 1.00 0.00 C ATOM 525 O ASN A 36 -9.846 4.223 -6.945 1.00 0.00 O ATOM 526 CB ASN A 36 -11.814 2.074 -5.909 1.00 0.00 C ATOM 527 CG ASN A 36 -12.676 3.298 -6.268 1.00 0.00 C ATOM 528 OD1 ASN A 36 -13.211 3.984 -5.405 1.00 0.00 O ATOM 529 ND2 ASN A 36 -12.778 3.515 -7.592 1.00 0.00 N ATOM 0 H ASN A 36 -11.419 3.753 -4.060 1.00 0.00 H new ATOM 0 HA ASN A 36 -9.950 1.502 -5.123 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -11.709 1.440 -6.790 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -12.329 1.484 -5.151 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -13.332 4.298 -7.939 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -12.301 2.897 -8.248 1.00 0.00 H new ATOM 536 N ILE A 37 -8.388 2.469 -6.718 1.00 0.00 N ATOM 537 CA ILE A 37 -7.412 2.956 -7.686 1.00 0.00 C ATOM 538 C ILE A 37 -7.825 2.366 -9.049 1.00 0.00 C ATOM 539 O ILE A 37 -7.791 3.046 -10.068 1.00 0.00 O ATOM 540 CB ILE A 37 -5.953 2.614 -7.238 1.00 0.00 C ATOM 541 CG1 ILE A 37 -5.483 3.540 -6.048 1.00 0.00 C ATOM 542 CG2 ILE A 37 -5.608 1.119 -7.581 1.00 0.00 C ATOM 543 CD1 ILE A 37 -4.040 3.283 -5.543 1.00 0.00 C ATOM 0 H ILE A 37 -8.137 1.583 -6.279 1.00 0.00 H new ATOM 0 HA ILE A 37 -7.407 4.043 -7.763 1.00 0.00 H new ATOM 0 HB ILE A 37 -5.057 2.928 -7.774 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -5.560 4.580 -6.365 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -6.172 3.410 -5.213 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -4.589 0.898 -7.262 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -6.302 0.457 -7.062 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -5.694 0.963 -8.656 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -3.813 3.968 -4.726 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -3.956 2.256 -5.189 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -3.335 3.444 -6.359 1.00 0.00 H new ATOM 555 N GLY A 38 -8.225 1.073 -8.998 1.00 0.00 N ATOM 556 CA GLY A 38 -8.646 0.333 -10.179 1.00 0.00 C ATOM 557 C GLY A 38 -7.918 -1.016 -10.231 1.00 0.00 C ATOM 558 O GLY A 38 -7.894 -1.771 -9.265 1.00 0.00 O ATOM 0 H GLY A 38 -8.260 0.530 -8.136 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -9.724 0.175 -10.155 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -8.428 0.910 -11.078 1.00 0.00 H new ATOM 562 N VAL A 39 -7.328 -1.258 -11.422 1.00 0.00 N ATOM 563 CA VAL A 39 -6.588 -2.489 -11.680 1.00 0.00 C ATOM 564 C VAL A 39 -5.213 -2.149 -12.283 1.00 0.00 C ATOM 565 O VAL A 39 -4.751 -2.769 -13.234 1.00 0.00 O ATOM 566 CB VAL A 39 -7.451 -3.422 -12.595 1.00 0.00 C ATOM 567 CG1 VAL A 39 -8.487 -4.162 -11.689 1.00 0.00 C ATOM 568 CG2 VAL A 39 -7.686 -3.169 -14.104 1.00 0.00 C ATOM 0 H VAL A 39 -7.356 -0.612 -12.211 1.00 0.00 H new ATOM 0 HA VAL A 39 -6.397 -3.032 -10.754 1.00 0.00 H new ATOM 0 HB VAL A 39 -6.786 -4.142 -13.072 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -9.102 -4.820 -12.303 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -7.959 -4.753 -10.940 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -9.123 -3.430 -11.191 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -8.318 -3.958 -14.511 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -8.177 -2.205 -14.239 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -6.729 -3.165 -14.626 1.00 0.00 H new ATOM 578 N LEU A 40 -4.588 -1.133 -11.646 1.00 0.00 N ATOM 579 CA LEU A 40 -3.278 -0.679 -12.080 1.00 0.00 C ATOM 580 C LEU A 40 -2.736 0.137 -10.899 1.00 0.00 C ATOM 581 O LEU A 40 -3.204 1.228 -10.601 1.00 0.00 O ATOM 582 CB LEU A 40 -3.417 0.128 -13.391 1.00 0.00 C ATOM 583 CG LEU A 40 -2.165 0.887 -13.894 1.00 0.00 C ATOM 584 CD1 LEU A 40 -0.927 -0.078 -13.769 1.00 0.00 C ATOM 585 CD2 LEU A 40 -2.737 1.813 -15.036 1.00 0.00 C ATOM 0 H LEU A 40 -4.973 -0.630 -10.846 1.00 0.00 H new ATOM 0 HA LEU A 40 -2.584 -1.485 -12.319 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -3.734 -0.557 -14.177 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -4.220 0.853 -13.257 1.00 0.00 H new ATOM 0 HG LEU A 40 -1.581 1.670 -13.409 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -0.030 0.434 -14.118 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -0.796 -0.369 -12.727 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -1.096 -0.967 -14.376 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -1.927 2.402 -15.467 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -3.190 1.196 -15.812 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -3.490 2.482 -14.619 1.00 0.00 H new ATOM 597 N SER A 41 -1.713 -0.478 -10.256 1.00 0.00 N ATOM 598 CA SER A 41 -1.038 0.110 -9.108 1.00 0.00 C ATOM 599 C SER A 41 0.035 1.026 -9.689 1.00 0.00 C ATOM 600 O SER A 41 1.134 0.608 -10.028 1.00 0.00 O ATOM 601 CB SER A 41 -0.383 -1.008 -8.241 1.00 0.00 C ATOM 602 OG SER A 41 0.701 -0.693 -7.275 1.00 0.00 O ATOM 0 H SER A 41 -1.346 -1.390 -10.529 1.00 0.00 H new ATOM 0 HA SER A 41 -1.729 0.655 -8.465 1.00 0.00 H new ATOM 0 HB2 SER A 41 -1.185 -1.485 -7.677 1.00 0.00 H new ATOM 0 HB3 SER A 41 0.011 -1.756 -8.929 1.00 0.00 H new ATOM 0 HG SER A 41 1.380 -1.399 -7.303 1.00 0.00 H new ATOM 608 N SER A 42 -0.386 2.302 -9.783 1.00 0.00 N ATOM 609 CA SER A 42 0.445 3.371 -10.297 1.00 0.00 C ATOM 610 C SER A 42 1.176 3.947 -9.088 1.00 0.00 C ATOM 611 O SER A 42 0.604 4.134 -8.021 1.00 0.00 O ATOM 612 CB SER A 42 -0.500 4.384 -10.998 1.00 0.00 C ATOM 613 OG SER A 42 -1.648 3.860 -11.783 1.00 0.00 O ATOM 0 H SER A 42 -1.318 2.606 -9.500 1.00 0.00 H new ATOM 0 HA SER A 42 1.188 3.063 -11.032 1.00 0.00 H new ATOM 0 HB2 SER A 42 -0.899 5.049 -10.232 1.00 0.00 H new ATOM 0 HB3 SER A 42 0.107 4.995 -11.666 1.00 0.00 H new ATOM 0 HG SER A 42 -2.464 3.911 -11.243 1.00 0.00 H new ATOM 619 N GLN A 43 2.472 4.227 -9.335 1.00 0.00 N ATOM 620 CA GLN A 43 3.317 4.753 -8.284 1.00 0.00 C ATOM 621 C GLN A 43 3.042 6.256 -8.168 1.00 0.00 C ATOM 622 O GLN A 43 2.156 6.673 -7.437 1.00 0.00 O ATOM 623 CB GLN A 43 4.795 4.395 -8.553 1.00 0.00 C ATOM 624 CG GLN A 43 5.812 4.965 -7.544 1.00 0.00 C ATOM 625 CD GLN A 43 5.426 4.687 -6.084 1.00 0.00 C ATOM 626 OE1 GLN A 43 5.407 5.580 -5.249 1.00 0.00 O ATOM 627 NE2 GLN A 43 5.124 3.401 -5.838 1.00 0.00 N ATOM 0 H GLN A 43 2.933 4.096 -10.236 1.00 0.00 H new ATOM 0 HA GLN A 43 3.090 4.301 -7.318 1.00 0.00 H new ATOM 0 HB2 GLN A 43 4.891 3.309 -8.565 1.00 0.00 H new ATOM 0 HB3 GLN A 43 5.061 4.749 -9.549 1.00 0.00 H new ATOM 0 HG2 GLN A 43 6.794 4.535 -7.743 1.00 0.00 H new ATOM 0 HG3 GLN A 43 5.899 6.041 -7.693 1.00 0.00 H new ATOM 0 HE21 GLN A 43 5.164 2.715 -6.591 1.00 0.00 H new ATOM 0 HE22 GLN A 43 4.855 3.111 -4.898 1.00 0.00 H new ATOM 636 N GLU A 44 3.837 7.029 -8.940 1.00 0.00 N ATOM 637 CA GLU A 44 3.819 8.482 -8.925 1.00 0.00 C ATOM 638 C GLU A 44 2.463 9.066 -9.361 1.00 0.00 C ATOM 639 O GLU A 44 2.258 10.260 -9.183 1.00 0.00 O ATOM 640 CB GLU A 44 5.026 9.044 -9.707 1.00 0.00 C ATOM 641 CG GLU A 44 5.131 8.612 -11.185 1.00 0.00 C ATOM 642 CD GLU A 44 4.138 9.309 -12.136 1.00 0.00 C ATOM 643 OE1 GLU A 44 3.717 10.432 -11.857 1.00 0.00 O ATOM 644 OE2 GLU A 44 3.805 8.719 -13.162 1.00 0.00 O ATOM 0 H GLU A 44 4.515 6.641 -9.596 1.00 0.00 H new ATOM 0 HA GLU A 44 3.931 8.813 -7.893 1.00 0.00 H new ATOM 0 HB2 GLU A 44 4.984 10.133 -9.669 1.00 0.00 H new ATOM 0 HB3 GLU A 44 5.939 8.742 -9.194 1.00 0.00 H new ATOM 0 HG2 GLU A 44 6.145 8.807 -11.535 1.00 0.00 H new ATOM 0 HG3 GLU A 44 4.975 7.535 -11.246 1.00 0.00 H new ATOM 651 N ASP A 45 1.545 8.238 -9.916 1.00 0.00 N ATOM 652 CA ASP A 45 0.265 8.803 -10.335 1.00 0.00 C ATOM 653 C ASP A 45 -0.680 8.727 -9.144 1.00 0.00 C ATOM 654 O ASP A 45 -1.356 9.703 -8.839 1.00 0.00 O ATOM 655 CB ASP A 45 -0.328 8.087 -11.563 1.00 0.00 C ATOM 656 CG ASP A 45 0.652 8.093 -12.747 1.00 0.00 C ATOM 657 OD1 ASP A 45 0.758 9.120 -13.418 1.00 0.00 O ATOM 658 OD2 ASP A 45 1.294 7.071 -12.988 1.00 0.00 O ATOM 0 H ASP A 45 1.665 7.237 -10.073 1.00 0.00 H new ATOM 0 HA ASP A 45 0.413 9.837 -10.647 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -0.577 7.059 -11.301 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -1.257 8.575 -11.856 1.00 0.00 H new ATOM 663 N PHE A 46 -0.705 7.546 -8.477 1.00 0.00 N ATOM 664 CA PHE A 46 -1.597 7.427 -7.333 1.00 0.00 C ATOM 665 C PHE A 46 -0.859 7.935 -6.081 1.00 0.00 C ATOM 666 O PHE A 46 -1.389 7.831 -4.981 1.00 0.00 O ATOM 667 CB PHE A 46 -2.238 6.024 -7.227 1.00 0.00 C ATOM 668 CG PHE A 46 -3.324 5.738 -8.253 1.00 0.00 C ATOM 669 CD1 PHE A 46 -4.224 6.718 -8.686 1.00 0.00 C ATOM 670 CD2 PHE A 46 -3.476 4.447 -8.760 1.00 0.00 C ATOM 671 CE1 PHE A 46 -5.233 6.421 -9.589 1.00 0.00 C ATOM 672 CE2 PHE A 46 -4.505 4.143 -9.644 1.00 0.00 C ATOM 673 CZ PHE A 46 -5.375 5.132 -10.070 1.00 0.00 C ATOM 0 H PHE A 46 -0.151 6.720 -8.703 1.00 0.00 H new ATOM 0 HA PHE A 46 -2.471 8.066 -7.457 1.00 0.00 H new ATOM 0 HB2 PHE A 46 -1.454 5.274 -7.330 1.00 0.00 H new ATOM 0 HB3 PHE A 46 -2.661 5.908 -6.229 1.00 0.00 H new ATOM 0 HD1 PHE A 46 -4.131 7.726 -8.309 1.00 0.00 H new ATOM 0 HD2 PHE A 46 -2.785 3.673 -8.461 1.00 0.00 H new ATOM 0 HE1 PHE A 46 -5.909 7.197 -9.917 1.00 0.00 H new ATOM 0 HE2 PHE A 46 -4.626 3.131 -10.000 1.00 0.00 H new ATOM 0 HZ PHE A 46 -6.160 4.898 -10.774 1.00 0.00 H new ATOM 683 N ILE A 47 0.358 8.506 -6.282 1.00 0.00 N ATOM 684 CA ILE A 47 1.096 9.106 -5.177 1.00 0.00 C ATOM 685 C ILE A 47 0.627 10.569 -5.175 1.00 0.00 C ATOM 686 O ILE A 47 0.587 11.217 -4.136 1.00 0.00 O ATOM 687 CB ILE A 47 2.649 8.913 -5.280 1.00 0.00 C ATOM 688 CG1 ILE A 47 3.225 7.820 -4.354 1.00 0.00 C ATOM 689 CG2 ILE A 47 3.365 10.183 -5.843 1.00 0.00 C ATOM 690 CD1 ILE A 47 2.533 6.436 -4.371 1.00 0.00 C ATOM 0 H ILE A 47 0.828 8.555 -7.186 1.00 0.00 H new ATOM 0 HA ILE A 47 0.889 8.621 -4.223 1.00 0.00 H new ATOM 0 HB ILE A 47 3.069 8.311 -6.086 1.00 0.00 H new ATOM 0 HG12 ILE A 47 4.273 7.676 -4.615 1.00 0.00 H new ATOM 0 HG13 ILE A 47 3.200 8.197 -3.332 1.00 0.00 H new ATOM 0 HG21 ILE A 47 4.439 10.002 -5.896 1.00 0.00 H new ATOM 0 HG22 ILE A 47 2.984 10.403 -6.840 1.00 0.00 H new ATOM 0 HG23 ILE A 47 3.172 11.031 -5.186 1.00 0.00 H new ATOM 0 HD11 ILE A 47 3.040 5.767 -3.675 1.00 0.00 H new ATOM 0 HD12 ILE A 47 1.490 6.547 -4.073 1.00 0.00 H new ATOM 0 HD13 ILE A 47 2.581 6.018 -5.376 1.00 0.00 H new ATOM 702 N ASN A 48 0.257 11.039 -6.400 1.00 0.00 N ATOM 703 CA ASN A 48 -0.252 12.388 -6.554 1.00 0.00 C ATOM 704 C ASN A 48 -1.697 12.369 -6.001 1.00 0.00 C ATOM 705 O ASN A 48 -2.218 13.392 -5.573 1.00 0.00 O ATOM 706 CB ASN A 48 -0.185 12.801 -8.037 1.00 0.00 C ATOM 707 CG ASN A 48 -0.594 14.268 -8.233 1.00 0.00 C ATOM 708 OD1 ASN A 48 -1.685 14.576 -8.697 1.00 0.00 O ATOM 709 ND2 ASN A 48 0.354 15.143 -7.847 1.00 0.00 N ATOM 0 H ASN A 48 0.308 10.499 -7.264 1.00 0.00 H new ATOM 0 HA ASN A 48 0.337 13.125 -6.009 1.00 0.00 H new ATOM 0 HB2 ASN A 48 0.828 12.652 -8.412 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -0.840 12.158 -8.625 1.00 0.00 H new ATOM 0 HD21 ASN A 48 0.188 16.146 -7.932 1.00 0.00 H new ATOM 0 HD22 ASN A 48 1.238 14.803 -7.469 1.00 0.00 H new ATOM 716 N ALA A 49 -2.302 11.151 -6.021 1.00 0.00 N ATOM 717 CA ALA A 49 -3.652 10.968 -5.518 1.00 0.00 C ATOM 718 C ALA A 49 -3.555 10.578 -4.029 1.00 0.00 C ATOM 719 O ALA A 49 -4.575 10.435 -3.371 1.00 0.00 O ATOM 720 CB ALA A 49 -4.386 9.874 -6.306 1.00 0.00 C ATOM 0 H ALA A 49 -1.865 10.302 -6.380 1.00 0.00 H new ATOM 0 HA ALA A 49 -4.218 11.892 -5.634 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -5.395 9.755 -5.911 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -4.439 10.156 -7.357 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -3.846 8.932 -6.210 1.00 0.00 H new ATOM 726 N ALA A 50 -2.310 10.398 -3.520 1.00 0.00 N ATOM 727 CA ALA A 50 -2.126 10.034 -2.122 1.00 0.00 C ATOM 728 C ALA A 50 -2.009 11.315 -1.305 1.00 0.00 C ATOM 729 O ALA A 50 -2.067 11.265 -0.086 1.00 0.00 O ATOM 730 CB ALA A 50 -0.902 9.130 -1.925 1.00 0.00 C ATOM 0 H ALA A 50 -1.447 10.500 -4.055 1.00 0.00 H new ATOM 0 HA ALA A 50 -2.986 9.457 -1.782 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -0.800 8.881 -0.869 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -1.029 8.215 -2.503 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -0.006 9.651 -2.263 1.00 0.00 H new ATOM 736 N ILE A 51 -1.831 12.451 -2.006 1.00 0.00 N ATOM 737 CA ILE A 51 -1.771 13.736 -1.326 1.00 0.00 C ATOM 738 C ILE A 51 -3.240 14.191 -1.243 1.00 0.00 C ATOM 739 O ILE A 51 -3.697 14.751 -0.254 1.00 0.00 O ATOM 740 CB ILE A 51 -0.915 14.754 -2.146 1.00 0.00 C ATOM 741 CG1 ILE A 51 0.113 14.161 -3.132 1.00 0.00 C ATOM 742 CG2 ILE A 51 -0.887 16.123 -1.394 1.00 0.00 C ATOM 743 CD1 ILE A 51 1.029 15.173 -3.851 1.00 0.00 C ATOM 0 H ILE A 51 -1.729 12.495 -3.020 1.00 0.00 H new ATOM 0 HA ILE A 51 -1.303 13.669 -0.344 1.00 0.00 H new ATOM 0 HB ILE A 51 -1.266 15.165 -3.092 1.00 0.00 H new ATOM 0 HG12 ILE A 51 0.742 13.456 -2.589 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -0.427 13.590 -3.888 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -0.291 16.838 -1.961 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -1.904 16.501 -1.289 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -0.447 15.987 -0.406 1.00 0.00 H new ATOM 0 HD11 ILE A 51 1.708 14.640 -4.517 1.00 0.00 H new ATOM 0 HD12 ILE A 51 0.420 15.866 -4.432 1.00 0.00 H new ATOM 0 HD13 ILE A 51 1.607 15.729 -3.113 1.00 0.00 H new ATOM 755 N GLU A 52 -3.928 13.876 -2.364 1.00 0.00 N ATOM 756 CA GLU A 52 -5.316 14.179 -2.624 1.00 0.00 C ATOM 757 C GLU A 52 -6.214 13.532 -1.556 1.00 0.00 C ATOM 758 O GLU A 52 -6.868 14.242 -0.801 1.00 0.00 O ATOM 759 CB GLU A 52 -5.684 13.694 -4.039 1.00 0.00 C ATOM 760 CG GLU A 52 -7.113 14.063 -4.467 1.00 0.00 C ATOM 761 CD GLU A 52 -7.409 13.506 -5.870 1.00 0.00 C ATOM 762 OE1 GLU A 52 -7.673 12.309 -5.984 1.00 0.00 O ATOM 763 OE2 GLU A 52 -7.372 14.272 -6.833 1.00 0.00 O ATOM 0 H GLU A 52 -3.489 13.378 -3.139 1.00 0.00 H new ATOM 0 HA GLU A 52 -5.474 15.256 -2.574 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -4.979 14.119 -4.754 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -5.569 12.611 -4.083 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -7.830 13.662 -3.750 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -7.232 15.146 -4.465 1.00 0.00 H new ATOM 770 N THR A 53 -6.239 12.171 -1.527 1.00 0.00 N ATOM 771 CA THR A 53 -7.128 11.487 -0.606 1.00 0.00 C ATOM 772 C THR A 53 -6.500 11.476 0.775 1.00 0.00 C ATOM 773 O THR A 53 -7.168 11.787 1.752 1.00 0.00 O ATOM 774 CB THR A 53 -7.584 10.069 -1.079 1.00 0.00 C ATOM 775 OG1 THR A 53 -6.842 8.895 -0.624 1.00 0.00 O ATOM 776 CG2 THR A 53 -7.849 10.056 -2.606 1.00 0.00 C ATOM 0 H THR A 53 -5.669 11.564 -2.115 1.00 0.00 H new ATOM 0 HA THR A 53 -8.061 12.050 -0.572 1.00 0.00 H new ATOM 0 HB THR A 53 -8.515 9.927 -0.529 1.00 0.00 H new ATOM 0 HG1 THR A 53 -6.481 8.416 -1.399 1.00 0.00 H new ATOM 0 HG21 THR A 53 -8.165 9.059 -2.912 1.00 0.00 H new ATOM 0 HG22 THR A 53 -8.633 10.775 -2.845 1.00 0.00 H new ATOM 0 HG23 THR A 53 -6.936 10.326 -3.136 1.00 0.00 H new ATOM 784 N LYS A 54 -5.202 11.094 0.775 1.00 0.00 N ATOM 785 CA LYS A 54 -4.355 11.026 1.968 1.00 0.00 C ATOM 786 C LYS A 54 -4.081 9.554 2.281 1.00 0.00 C ATOM 787 O LYS A 54 -4.090 9.163 3.439 1.00 0.00 O ATOM 788 CB LYS A 54 -4.898 11.799 3.198 1.00 0.00 C ATOM 789 CG LYS A 54 -3.870 12.007 4.318 1.00 0.00 C ATOM 790 CD LYS A 54 -4.326 12.973 5.420 1.00 0.00 C ATOM 791 CE LYS A 54 -4.180 14.458 5.051 1.00 0.00 C ATOM 792 NZ LYS A 54 -5.219 14.956 4.158 1.00 0.00 N ATOM 0 H LYS A 54 -4.713 10.821 -0.077 1.00 0.00 H new ATOM 0 HA LYS A 54 -3.424 11.545 1.740 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -5.261 12.773 2.869 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -5.754 11.259 3.602 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -3.641 11.042 4.769 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -2.945 12.383 3.881 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -5.370 12.769 5.658 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -3.749 12.775 6.323 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -4.188 15.051 5.966 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -3.209 14.610 4.581 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -5.404 15.958 4.366 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -4.904 14.859 3.171 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -6.091 14.406 4.299 1.00 0.00 H new ATOM 805 N ALA A 55 -3.792 8.774 1.209 1.00 0.00 N ATOM 806 CA ALA A 55 -3.509 7.342 1.295 1.00 0.00 C ATOM 807 C ALA A 55 -2.418 7.112 2.345 1.00 0.00 C ATOM 808 O ALA A 55 -1.303 7.608 2.245 1.00 0.00 O ATOM 809 CB ALA A 55 -3.049 6.771 -0.055 1.00 0.00 C ATOM 0 H ALA A 55 -3.752 9.137 0.257 1.00 0.00 H new ATOM 0 HA ALA A 55 -4.428 6.828 1.578 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -2.849 5.705 0.050 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -3.831 6.922 -0.799 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -2.140 7.281 -0.375 1.00 0.00 H new ATOM 815 N ASP A 56 -2.842 6.304 3.343 1.00 0.00 N ATOM 816 CA ASP A 56 -1.974 5.930 4.440 1.00 0.00 C ATOM 817 C ASP A 56 -1.288 4.637 3.999 1.00 0.00 C ATOM 818 O ASP A 56 -0.078 4.611 3.807 1.00 0.00 O ATOM 819 CB ASP A 56 -2.756 5.739 5.762 1.00 0.00 C ATOM 820 CG ASP A 56 -1.890 5.071 6.847 1.00 0.00 C ATOM 821 OD1 ASP A 56 -1.132 5.775 7.514 1.00 0.00 O ATOM 822 OD2 ASP A 56 -1.983 3.854 7.006 1.00 0.00 O ATOM 0 H ASP A 56 -3.781 5.909 3.395 1.00 0.00 H new ATOM 0 HA ASP A 56 -1.249 6.716 4.652 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -3.106 6.707 6.121 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -3.640 5.130 5.576 1.00 0.00 H new ATOM 827 N LEU A 57 -2.124 3.574 3.861 1.00 0.00 N ATOM 828 CA LEU A 57 -1.552 2.282 3.507 1.00 0.00 C ATOM 829 C LEU A 57 -1.897 1.957 2.061 1.00 0.00 C ATOM 830 O LEU A 57 -2.929 2.327 1.513 1.00 0.00 O ATOM 831 CB LEU A 57 -1.923 1.175 4.512 1.00 0.00 C ATOM 832 CG LEU A 57 -3.444 0.905 4.724 1.00 0.00 C ATOM 833 CD1 LEU A 57 -3.977 -0.018 3.587 1.00 0.00 C ATOM 834 CD2 LEU A 57 -4.052 0.921 6.142 1.00 0.00 C ATOM 0 H LEU A 57 -3.136 3.595 3.984 1.00 0.00 H new ATOM 0 HA LEU A 57 -0.466 2.339 3.576 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -1.455 0.247 4.184 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -1.485 1.430 5.477 1.00 0.00 H new ATOM 0 HG LEU A 57 -3.991 1.840 4.602 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -5.040 -0.205 3.738 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -3.828 0.469 2.623 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -3.437 -0.964 3.603 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -5.120 0.712 6.082 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -3.567 0.161 6.754 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -3.899 1.902 6.593 1.00 0.00 H new ATOM 846 N ILE A 58 -0.904 1.224 1.506 1.00 0.00 N ATOM 847 CA ILE A 58 -0.966 0.729 0.141 1.00 0.00 C ATOM 848 C ILE A 58 -1.450 -0.721 0.271 1.00 0.00 C ATOM 849 O ILE A 58 -1.187 -1.406 1.252 1.00 0.00 O ATOM 850 CB ILE A 58 0.436 0.898 -0.524 1.00 0.00 C ATOM 851 CG1 ILE A 58 1.267 -0.418 -0.832 1.00 0.00 C ATOM 852 CG2 ILE A 58 0.494 2.347 -1.129 1.00 0.00 C ATOM 853 CD1 ILE A 58 0.695 -1.511 -1.776 1.00 0.00 C ATOM 0 H ILE A 58 -0.049 0.969 2.001 1.00 0.00 H new ATOM 0 HA ILE A 58 -1.649 1.271 -0.512 1.00 0.00 H new ATOM 0 HB ILE A 58 1.428 0.944 -0.074 1.00 0.00 H new ATOM 0 HG12 ILE A 58 2.224 -0.104 -1.247 1.00 0.00 H new ATOM 0 HG13 ILE A 58 1.476 -0.897 0.124 1.00 0.00 H new ATOM 0 HG21 ILE A 58 1.462 2.504 -1.604 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -0.297 2.464 -1.870 1.00 0.00 H new ATOM 0 HG23 ILE A 58 0.357 3.079 -0.333 1.00 0.00 H new ATOM 0 HD11 ILE A 58 1.410 -2.330 -1.860 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -0.243 -1.888 -1.369 1.00 0.00 H new ATOM 0 HD13 ILE A 58 0.517 -1.083 -2.762 1.00 0.00 H new ATOM 865 N CYS A 59 -2.182 -1.121 -0.791 1.00 0.00 N ATOM 866 CA CYS A 59 -2.725 -2.465 -0.898 1.00 0.00 C ATOM 867 C CYS A 59 -2.578 -2.832 -2.376 1.00 0.00 C ATOM 868 O CYS A 59 -3.320 -2.375 -3.236 1.00 0.00 O ATOM 869 CB CYS A 59 -4.187 -2.527 -0.435 1.00 0.00 C ATOM 870 SG CYS A 59 -4.336 -2.417 1.361 1.00 0.00 S ATOM 0 H CYS A 59 -2.404 -0.518 -1.583 1.00 0.00 H new ATOM 0 HA CYS A 59 -2.198 -3.168 -0.253 1.00 0.00 H new ATOM 0 HB2 CYS A 59 -4.747 -1.713 -0.895 1.00 0.00 H new ATOM 0 HB3 CYS A 59 -4.637 -3.458 -0.779 1.00 0.00 H new ATOM 0 HG CYS A 59 -5.462 -2.946 1.736 1.00 0.00 H new ATOM 876 N VAL A 60 -1.574 -3.703 -2.615 1.00 0.00 N ATOM 877 CA VAL A 60 -1.313 -4.182 -3.962 1.00 0.00 C ATOM 878 C VAL A 60 -1.977 -5.559 -3.991 1.00 0.00 C ATOM 879 O VAL A 60 -1.829 -6.364 -3.081 1.00 0.00 O ATOM 880 CB VAL A 60 0.216 -4.151 -4.278 1.00 0.00 C ATOM 881 CG1 VAL A 60 0.888 -5.580 -4.279 1.00 0.00 C ATOM 882 CG2 VAL A 60 0.496 -2.825 -5.088 1.00 0.00 C ATOM 0 H VAL A 60 -0.950 -4.075 -1.899 1.00 0.00 H new ATOM 0 HA VAL A 60 -1.725 -3.561 -4.757 1.00 0.00 H new ATOM 0 HB VAL A 60 1.043 -3.964 -3.593 1.00 0.00 H new ATOM 0 HG11 VAL A 60 1.950 -5.483 -4.506 1.00 0.00 H new ATOM 0 HG12 VAL A 60 0.767 -6.040 -3.298 1.00 0.00 H new ATOM 0 HG13 VAL A 60 0.412 -6.206 -5.034 1.00 0.00 H new ATOM 0 HG21 VAL A 60 1.557 -2.764 -5.330 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -0.086 -2.832 -6.009 1.00 0.00 H new ATOM 0 HG23 VAL A 60 0.211 -1.963 -4.485 1.00 0.00 H new ATOM 892 N SER A 61 -2.747 -5.743 -5.074 1.00 0.00 N ATOM 893 CA SER A 61 -3.492 -6.958 -5.283 1.00 0.00 C ATOM 894 C SER A 61 -2.813 -7.659 -6.452 1.00 0.00 C ATOM 895 O SER A 61 -3.490 -8.133 -7.347 1.00 0.00 O ATOM 896 CB SER A 61 -4.965 -6.568 -5.634 1.00 0.00 C ATOM 897 OG SER A 61 -5.639 -5.509 -4.841 1.00 0.00 O ATOM 0 H SER A 61 -2.859 -5.050 -5.814 1.00 0.00 H new ATOM 0 HA SER A 61 -3.514 -7.610 -4.410 1.00 0.00 H new ATOM 0 HB2 SER A 61 -4.983 -6.258 -6.679 1.00 0.00 H new ATOM 0 HB3 SER A 61 -5.571 -7.471 -5.559 1.00 0.00 H new ATOM 0 HG SER A 61 -5.238 -4.639 -5.049 1.00 0.00 H new ATOM 903 N SER A 62 -1.464 -7.712 -6.417 1.00 0.00 N ATOM 904 CA SER A 62 -0.776 -8.346 -7.535 1.00 0.00 C ATOM 905 C SER A 62 0.534 -8.841 -6.988 1.00 0.00 C ATOM 906 O SER A 62 0.966 -8.497 -5.898 1.00 0.00 O ATOM 907 CB SER A 62 -0.447 -7.363 -8.698 1.00 0.00 C ATOM 908 OG SER A 62 0.700 -6.424 -8.576 1.00 0.00 O ATOM 0 H SER A 62 -0.871 -7.346 -5.673 1.00 0.00 H new ATOM 0 HA SER A 62 -1.421 -9.125 -7.941 1.00 0.00 H new ATOM 0 HB2 SER A 62 -0.281 -7.963 -9.593 1.00 0.00 H new ATOM 0 HB3 SER A 62 -1.339 -6.763 -8.878 1.00 0.00 H new ATOM 0 HG SER A 62 0.767 -5.882 -9.390 1.00 0.00 H new ATOM 914 N LEU A 63 1.147 -9.661 -7.859 1.00 0.00 N ATOM 915 CA LEU A 63 2.430 -10.234 -7.615 1.00 0.00 C ATOM 916 C LEU A 63 3.402 -9.061 -7.824 1.00 0.00 C ATOM 917 O LEU A 63 3.229 -7.993 -7.249 1.00 0.00 O ATOM 918 CB LEU A 63 2.559 -11.408 -8.624 1.00 0.00 C ATOM 919 CG LEU A 63 3.715 -12.419 -8.298 1.00 0.00 C ATOM 920 CD1 LEU A 63 3.929 -13.528 -7.205 1.00 0.00 C ATOM 921 CD2 LEU A 63 3.831 -13.215 -9.613 1.00 0.00 C ATOM 0 H LEU A 63 0.740 -9.931 -8.754 1.00 0.00 H new ATOM 0 HA LEU A 63 2.620 -10.656 -6.628 1.00 0.00 H new ATOM 0 HB2 LEU A 63 1.615 -11.952 -8.653 1.00 0.00 H new ATOM 0 HB3 LEU A 63 2.722 -10.998 -9.621 1.00 0.00 H new ATOM 0 HG LEU A 63 4.379 -11.688 -7.836 1.00 0.00 H new ATOM 0 HD11 LEU A 63 4.900 -14.001 -7.352 1.00 0.00 H new ATOM 0 HD12 LEU A 63 3.893 -13.074 -6.215 1.00 0.00 H new ATOM 0 HD13 LEU A 63 3.143 -14.278 -7.289 1.00 0.00 H new ATOM 0 HD21 LEU A 63 4.616 -13.965 -9.516 1.00 0.00 H new ATOM 0 HD22 LEU A 63 2.882 -13.708 -9.825 1.00 0.00 H new ATOM 0 HD23 LEU A 63 4.077 -12.536 -10.429 1.00 0.00 H new ATOM 933 N TYR A 64 4.413 -9.283 -8.689 1.00 0.00 N ATOM 934 CA TYR A 64 5.367 -8.244 -8.982 1.00 0.00 C ATOM 935 C TYR A 64 4.843 -7.525 -10.240 1.00 0.00 C ATOM 936 O TYR A 64 5.557 -7.317 -11.214 1.00 0.00 O ATOM 937 CB TYR A 64 6.796 -8.829 -9.095 1.00 0.00 C ATOM 938 CG TYR A 64 7.694 -8.258 -8.028 1.00 0.00 C ATOM 939 CD1 TYR A 64 7.960 -6.897 -8.010 1.00 0.00 C ATOM 940 CD2 TYR A 64 8.251 -9.061 -7.041 1.00 0.00 C ATOM 941 CE1 TYR A 64 8.748 -6.336 -7.019 1.00 0.00 C ATOM 942 CE2 TYR A 64 9.046 -8.513 -6.043 1.00 0.00 C ATOM 943 CZ TYR A 64 9.287 -7.136 -6.005 1.00 0.00 C ATOM 944 OH TYR A 64 10.052 -6.577 -4.983 1.00 0.00 O ATOM 0 H TYR A 64 4.572 -10.163 -9.179 1.00 0.00 H new ATOM 0 HA TYR A 64 5.459 -7.508 -8.183 1.00 0.00 H new ATOM 0 HB2 TYR A 64 6.758 -9.914 -9.002 1.00 0.00 H new ATOM 0 HB3 TYR A 64 7.208 -8.608 -10.080 1.00 0.00 H new ATOM 0 HD1 TYR A 64 7.546 -6.264 -8.781 1.00 0.00 H new ATOM 0 HD2 TYR A 64 8.064 -10.125 -7.050 1.00 0.00 H new ATOM 0 HE1 TYR A 64 8.948 -5.275 -7.029 1.00 0.00 H new ATOM 0 HE2 TYR A 64 9.481 -9.155 -5.291 1.00 0.00 H new ATOM 0 HH TYR A 64 9.673 -5.710 -4.728 1.00 0.00 H new ATOM 954 N GLY A 65 3.543 -7.151 -10.137 1.00 0.00 N ATOM 955 CA GLY A 65 2.833 -6.434 -11.188 1.00 0.00 C ATOM 956 C GLY A 65 2.808 -4.924 -10.890 1.00 0.00 C ATOM 957 O GLY A 65 1.969 -4.185 -11.391 1.00 0.00 O ATOM 0 H GLY A 65 2.970 -7.346 -9.316 1.00 0.00 H new ATOM 0 HA2 GLY A 65 3.316 -6.613 -12.148 1.00 0.00 H new ATOM 0 HA3 GLY A 65 1.814 -6.811 -11.269 1.00 0.00 H new ATOM 961 N GLN A 66 3.781 -4.536 -10.034 1.00 0.00 N ATOM 962 CA GLN A 66 3.988 -3.165 -9.607 1.00 0.00 C ATOM 963 C GLN A 66 5.450 -2.830 -9.960 1.00 0.00 C ATOM 964 O GLN A 66 5.797 -1.698 -10.272 1.00 0.00 O ATOM 965 CB GLN A 66 3.654 -2.987 -8.108 1.00 0.00 C ATOM 966 CG GLN A 66 4.542 -3.814 -7.156 1.00 0.00 C ATOM 967 CD GLN A 66 4.317 -3.442 -5.681 1.00 0.00 C ATOM 968 OE1 GLN A 66 3.893 -4.254 -4.870 1.00 0.00 O ATOM 969 NE2 GLN A 66 4.650 -2.171 -5.388 1.00 0.00 N ATOM 0 H GLN A 66 4.447 -5.191 -9.623 1.00 0.00 H new ATOM 0 HA GLN A 66 3.318 -2.470 -10.113 1.00 0.00 H new ATOM 0 HB2 GLN A 66 3.749 -1.932 -7.850 1.00 0.00 H new ATOM 0 HB3 GLN A 66 2.612 -3.263 -7.945 1.00 0.00 H new ATOM 0 HG2 GLN A 66 4.334 -4.875 -7.297 1.00 0.00 H new ATOM 0 HG3 GLN A 66 5.590 -3.658 -7.412 1.00 0.00 H new ATOM 0 HE21 GLN A 66 4.997 -1.553 -6.121 1.00 0.00 H new ATOM 0 HE22 GLN A 66 4.555 -1.826 -4.433 1.00 0.00 H new ATOM 978 N GLY A 67 6.280 -3.889 -9.903 1.00 0.00 N ATOM 979 CA GLY A 67 7.702 -3.769 -10.192 1.00 0.00 C ATOM 980 C GLY A 67 8.457 -3.316 -8.939 1.00 0.00 C ATOM 981 O GLY A 67 7.869 -2.866 -7.964 1.00 0.00 O ATOM 0 H GLY A 67 5.980 -4.833 -9.658 1.00 0.00 H new ATOM 0 HA2 GLY A 67 8.093 -4.727 -10.536 1.00 0.00 H new ATOM 0 HA3 GLY A 67 7.858 -3.053 -10.999 1.00 0.00 H new ATOM 985 N GLU A 68 9.799 -3.455 -9.036 1.00 0.00 N ATOM 986 CA GLU A 68 10.675 -3.075 -7.935 1.00 0.00 C ATOM 987 C GLU A 68 10.830 -1.538 -7.940 1.00 0.00 C ATOM 988 O GLU A 68 11.505 -0.981 -7.084 1.00 0.00 O ATOM 989 CB GLU A 68 12.041 -3.773 -8.063 1.00 0.00 C ATOM 990 CG GLU A 68 11.945 -5.297 -7.899 1.00 0.00 C ATOM 991 CD GLU A 68 13.332 -5.950 -8.022 1.00 0.00 C ATOM 992 OE1 GLU A 68 13.768 -6.201 -9.145 1.00 0.00 O ATOM 993 OE2 GLU A 68 13.959 -6.203 -6.993 1.00 0.00 O ATOM 0 H GLU A 68 10.281 -3.823 -9.857 1.00 0.00 H new ATOM 0 HA GLU A 68 10.240 -3.391 -6.987 1.00 0.00 H new ATOM 0 HB2 GLU A 68 12.472 -3.543 -9.037 1.00 0.00 H new ATOM 0 HB3 GLU A 68 12.721 -3.373 -7.311 1.00 0.00 H new ATOM 0 HG2 GLU A 68 11.511 -5.536 -6.928 1.00 0.00 H new ATOM 0 HG3 GLU A 68 11.277 -5.707 -8.656 1.00 0.00 H new ATOM 1000 N ILE A 69 10.179 -0.885 -8.933 1.00 0.00 N ATOM 1001 CA ILE A 69 10.215 0.557 -9.080 1.00 0.00 C ATOM 1002 C ILE A 69 9.142 1.100 -8.130 1.00 0.00 C ATOM 1003 O ILE A 69 9.381 2.040 -7.384 1.00 0.00 O ATOM 1004 CB ILE A 69 9.941 0.964 -10.567 1.00 0.00 C ATOM 1005 CG1 ILE A 69 10.292 -0.068 -11.673 1.00 0.00 C ATOM 1006 CG2 ILE A 69 9.802 2.518 -10.670 1.00 0.00 C ATOM 1007 CD1 ILE A 69 11.806 -0.304 -11.713 1.00 0.00 C ATOM 0 H ILE A 69 9.621 -1.358 -9.643 1.00 0.00 H new ATOM 0 HA ILE A 69 11.193 0.970 -8.832 1.00 0.00 H new ATOM 0 HB ILE A 69 9.003 0.756 -11.082 1.00 0.00 H new ATOM 0 HG12 ILE A 69 9.775 -1.008 -11.481 1.00 0.00 H new ATOM 0 HG13 ILE A 69 9.947 0.294 -12.642 1.00 0.00 H new ATOM 0 HG21 ILE A 69 9.611 2.798 -11.706 1.00 0.00 H new ATOM 0 HG22 ILE A 69 8.973 2.851 -10.045 1.00 0.00 H new ATOM 0 HG23 ILE A 69 10.724 2.989 -10.330 1.00 0.00 H new ATOM 0 HD11 ILE A 69 12.041 -1.029 -12.492 1.00 0.00 H new ATOM 0 HD12 ILE A 69 12.315 0.636 -11.927 1.00 0.00 H new ATOM 0 HD13 ILE A 69 12.140 -0.687 -10.749 1.00 0.00 H new ATOM 1019 N ASP A 70 7.954 0.451 -8.194 1.00 0.00 N ATOM 1020 CA ASP A 70 6.839 0.870 -7.356 1.00 0.00 C ATOM 1021 C ASP A 70 7.129 0.412 -5.920 1.00 0.00 C ATOM 1022 O ASP A 70 6.658 1.029 -4.973 1.00 0.00 O ATOM 1023 CB ASP A 70 5.504 0.273 -7.842 1.00 0.00 C ATOM 1024 CG ASP A 70 5.028 0.839 -9.197 1.00 0.00 C ATOM 1025 OD1 ASP A 70 5.857 1.218 -10.026 1.00 0.00 O ATOM 1026 OD2 ASP A 70 3.819 0.898 -9.408 1.00 0.00 O ATOM 0 H ASP A 70 7.760 -0.342 -8.805 1.00 0.00 H new ATOM 0 HA ASP A 70 6.741 1.954 -7.406 1.00 0.00 H new ATOM 0 HB2 ASP A 70 5.609 -0.809 -7.927 1.00 0.00 H new ATOM 0 HB3 ASP A 70 4.737 0.461 -7.090 1.00 0.00 H new ATOM 1031 N CYS A 71 7.924 -0.681 -5.792 1.00 0.00 N ATOM 1032 CA CYS A 71 8.247 -1.179 -4.463 1.00 0.00 C ATOM 1033 C CYS A 71 9.162 -0.138 -3.812 1.00 0.00 C ATOM 1034 O CYS A 71 8.875 0.316 -2.713 1.00 0.00 O ATOM 1035 CB CYS A 71 8.868 -2.584 -4.490 1.00 0.00 C ATOM 1036 SG CYS A 71 7.717 -3.822 -5.128 1.00 0.00 S ATOM 0 H CYS A 71 8.331 -1.204 -6.567 1.00 0.00 H new ATOM 0 HA CYS A 71 7.338 -1.304 -3.874 1.00 0.00 H new ATOM 0 HB2 CYS A 71 9.766 -2.571 -5.108 1.00 0.00 H new ATOM 0 HB3 CYS A 71 9.178 -2.863 -3.483 1.00 0.00 H new ATOM 0 HG CYS A 71 7.664 -3.738 -6.424 1.00 0.00 H new ATOM 1042 N LYS A 72 10.235 0.254 -4.554 1.00 0.00 N ATOM 1043 CA LYS A 72 11.183 1.240 -4.034 1.00 0.00 C ATOM 1044 C LYS A 72 10.719 2.649 -4.421 1.00 0.00 C ATOM 1045 O LYS A 72 11.499 3.591 -4.446 1.00 0.00 O ATOM 1046 CB LYS A 72 12.615 1.003 -4.552 1.00 0.00 C ATOM 1047 CG LYS A 72 13.241 -0.319 -4.096 1.00 0.00 C ATOM 1048 CD LYS A 72 14.745 -0.382 -4.415 1.00 0.00 C ATOM 1049 CE LYS A 72 15.060 -0.435 -5.915 1.00 0.00 C ATOM 1050 NZ LYS A 72 14.594 -1.663 -6.545 1.00 0.00 N ATOM 0 H LYS A 72 10.449 -0.096 -5.488 1.00 0.00 H new ATOM 0 HA LYS A 72 11.207 1.135 -2.949 1.00 0.00 H new ATOM 0 HB2 LYS A 72 12.603 1.029 -5.642 1.00 0.00 H new ATOM 0 HB3 LYS A 72 13.249 1.825 -4.220 1.00 0.00 H new ATOM 0 HG2 LYS A 72 13.092 -0.440 -3.023 1.00 0.00 H new ATOM 0 HG3 LYS A 72 12.731 -1.150 -4.584 1.00 0.00 H new ATOM 0 HD2 LYS A 72 15.235 0.490 -3.981 1.00 0.00 H new ATOM 0 HD3 LYS A 72 15.172 -1.261 -3.933 1.00 0.00 H new ATOM 0 HE2 LYS A 72 14.598 0.420 -6.409 1.00 0.00 H new ATOM 0 HE3 LYS A 72 16.137 -0.343 -6.059 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 15.216 -1.901 -7.344 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 14.610 -2.437 -5.851 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 13.623 -1.529 -6.891 1.00 0.00 H new ATOM 1063 N GLY A 73 9.418 2.739 -4.703 1.00 0.00 N ATOM 1064 CA GLY A 73 8.761 3.981 -5.070 1.00 0.00 C ATOM 1065 C GLY A 73 8.025 4.533 -3.848 1.00 0.00 C ATOM 1066 O GLY A 73 7.818 5.730 -3.701 1.00 0.00 O ATOM 0 H GLY A 73 8.788 1.937 -4.681 1.00 0.00 H new ATOM 0 HA2 GLY A 73 9.494 4.704 -5.427 1.00 0.00 H new ATOM 0 HA3 GLY A 73 8.060 3.809 -5.887 1.00 0.00 H new ATOM 1070 N LEU A 74 7.662 3.558 -2.985 1.00 0.00 N ATOM 1071 CA LEU A 74 6.955 3.814 -1.751 1.00 0.00 C ATOM 1072 C LEU A 74 8.023 4.037 -0.677 1.00 0.00 C ATOM 1073 O LEU A 74 7.827 4.817 0.245 1.00 0.00 O ATOM 1074 CB LEU A 74 6.017 2.624 -1.477 1.00 0.00 C ATOM 1075 CG LEU A 74 5.049 2.359 -2.706 1.00 0.00 C ATOM 1076 CD1 LEU A 74 4.165 1.151 -3.212 1.00 0.00 C ATOM 1077 CD2 LEU A 74 4.096 3.573 -2.743 1.00 0.00 C ATOM 0 H LEU A 74 7.862 2.571 -3.144 1.00 0.00 H new ATOM 0 HA LEU A 74 6.319 4.699 -1.779 1.00 0.00 H new ATOM 0 HB2 LEU A 74 6.608 1.730 -1.278 1.00 0.00 H new ATOM 0 HB3 LEU A 74 5.427 2.822 -0.582 1.00 0.00 H new ATOM 0 HG LEU A 74 5.888 2.079 -3.343 1.00 0.00 H new ATOM 0 HD11 LEU A 74 3.653 1.435 -4.132 1.00 0.00 H new ATOM 0 HD12 LEU A 74 4.803 0.288 -3.403 1.00 0.00 H new ATOM 0 HD13 LEU A 74 3.428 0.896 -2.451 1.00 0.00 H new ATOM 0 HD21 LEU A 74 3.395 3.460 -3.570 1.00 0.00 H new ATOM 0 HD22 LEU A 74 3.544 3.631 -1.805 1.00 0.00 H new ATOM 0 HD23 LEU A 74 4.675 4.486 -2.880 1.00 0.00 H new ATOM 1089 N ARG A 75 9.172 3.340 -0.835 1.00 0.00 N ATOM 1090 CA ARG A 75 10.256 3.539 0.119 1.00 0.00 C ATOM 1091 C ARG A 75 10.900 4.894 -0.228 1.00 0.00 C ATOM 1092 O ARG A 75 11.528 5.523 0.614 1.00 0.00 O ATOM 1093 CB ARG A 75 11.227 2.348 0.112 1.00 0.00 C ATOM 1094 CG ARG A 75 10.432 1.041 0.114 1.00 0.00 C ATOM 1095 CD ARG A 75 11.118 -0.167 0.742 1.00 0.00 C ATOM 1096 NE ARG A 75 10.174 -1.276 0.691 1.00 0.00 N ATOM 1097 CZ ARG A 75 9.961 -1.999 -0.433 1.00 0.00 C ATOM 1098 NH1 ARG A 75 10.676 -1.785 -1.535 1.00 0.00 N ATOM 1099 NH2 ARG A 75 9.021 -2.939 -0.442 1.00 0.00 N ATOM 0 H ARG A 75 9.357 2.669 -1.580 1.00 0.00 H new ATOM 0 HA ARG A 75 9.899 3.576 1.148 1.00 0.00 H new ATOM 0 HB2 ARG A 75 11.869 2.394 -0.768 1.00 0.00 H new ATOM 0 HB3 ARG A 75 11.878 2.391 0.985 1.00 0.00 H new ATOM 0 HG2 ARG A 75 9.493 1.213 0.640 1.00 0.00 H new ATOM 0 HG3 ARG A 75 10.179 0.793 -0.917 1.00 0.00 H new ATOM 0 HD2 ARG A 75 12.031 -0.415 0.201 1.00 0.00 H new ATOM 0 HD3 ARG A 75 11.405 0.046 1.772 1.00 0.00 H new ATOM 0 HE ARG A 75 9.654 -1.517 1.535 1.00 0.00 H new ATOM 0 HH11 ARG A 75 11.399 -1.066 -1.542 1.00 0.00 H new ATOM 0 HH12 ARG A 75 10.501 -2.340 -2.372 1.00 0.00 H new ATOM 0 HH21 ARG A 75 8.465 -3.112 0.395 1.00 0.00 H new ATOM 0 HH22 ARG A 75 8.856 -3.487 -1.286 1.00 0.00 H new ATOM 1113 N GLU A 76 10.685 5.314 -1.503 1.00 0.00 N ATOM 1114 CA GLU A 76 11.173 6.596 -1.977 1.00 0.00 C ATOM 1115 C GLU A 76 10.220 7.664 -1.405 1.00 0.00 C ATOM 1116 O GLU A 76 10.642 8.774 -1.116 1.00 0.00 O ATOM 1117 CB GLU A 76 11.219 6.631 -3.513 1.00 0.00 C ATOM 1118 CG GLU A 76 11.664 7.987 -4.084 1.00 0.00 C ATOM 1119 CD GLU A 76 11.741 7.925 -5.619 1.00 0.00 C ATOM 1120 OE1 GLU A 76 10.711 8.106 -6.268 1.00 0.00 O ATOM 1121 OE2 GLU A 76 12.829 7.697 -6.148 1.00 0.00 O ATOM 0 H GLU A 76 10.178 4.772 -2.202 1.00 0.00 H new ATOM 0 HA GLU A 76 12.194 6.781 -1.644 1.00 0.00 H new ATOM 0 HB2 GLU A 76 11.900 5.856 -3.866 1.00 0.00 H new ATOM 0 HB3 GLU A 76 10.231 6.388 -3.904 1.00 0.00 H new ATOM 0 HG2 GLU A 76 10.963 8.764 -3.780 1.00 0.00 H new ATOM 0 HG3 GLU A 76 12.637 8.259 -3.676 1.00 0.00 H new ATOM 1128 N LYS A 77 8.930 7.264 -1.243 1.00 0.00 N ATOM 1129 CA LYS A 77 7.873 8.111 -0.723 1.00 0.00 C ATOM 1130 C LYS A 77 8.049 8.261 0.813 1.00 0.00 C ATOM 1131 O LYS A 77 7.394 9.085 1.440 1.00 0.00 O ATOM 1132 CB LYS A 77 6.532 7.430 -1.062 1.00 0.00 C ATOM 1133 CG LYS A 77 5.274 8.268 -0.831 1.00 0.00 C ATOM 1134 CD LYS A 77 4.023 7.387 -0.865 1.00 0.00 C ATOM 1135 CE LYS A 77 2.740 8.186 -0.650 1.00 0.00 C ATOM 1136 NZ LYS A 77 1.555 7.338 -0.674 1.00 0.00 N ATOM 0 H LYS A 77 8.612 6.324 -1.480 1.00 0.00 H new ATOM 0 HA LYS A 77 7.903 9.108 -1.163 1.00 0.00 H new ATOM 0 HB2 LYS A 77 6.556 7.128 -2.109 1.00 0.00 H new ATOM 0 HB3 LYS A 77 6.451 6.519 -0.469 1.00 0.00 H new ATOM 0 HG2 LYS A 77 5.341 8.776 0.131 1.00 0.00 H new ATOM 0 HG3 LYS A 77 5.201 9.042 -1.595 1.00 0.00 H new ATOM 0 HD2 LYS A 77 3.971 6.873 -1.825 1.00 0.00 H new ATOM 0 HD3 LYS A 77 4.102 6.619 -0.096 1.00 0.00 H new ATOM 0 HE2 LYS A 77 2.794 8.706 0.306 1.00 0.00 H new ATOM 0 HE3 LYS A 77 2.655 8.949 -1.424 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 0.828 7.739 -0.048 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 1.185 7.285 -1.645 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 1.805 6.383 -0.347 1.00 0.00 H new ATOM 1149 N CYS A 78 8.941 7.422 1.390 1.00 0.00 N ATOM 1150 CA CYS A 78 9.199 7.407 2.824 1.00 0.00 C ATOM 1151 C CYS A 78 10.315 8.373 3.095 1.00 0.00 C ATOM 1152 O CYS A 78 10.263 9.232 3.968 1.00 0.00 O ATOM 1153 CB CYS A 78 9.443 5.980 3.340 1.00 0.00 C ATOM 1154 SG CYS A 78 8.004 4.912 3.092 1.00 0.00 S ATOM 0 H CYS A 78 9.493 6.744 0.865 1.00 0.00 H new ATOM 0 HA CYS A 78 8.326 7.737 3.387 1.00 0.00 H new ATOM 0 HB2 CYS A 78 10.304 5.552 2.827 1.00 0.00 H new ATOM 0 HB3 CYS A 78 9.689 6.016 4.401 1.00 0.00 H new ATOM 0 HG CYS A 78 7.970 4.510 1.856 1.00 0.00 H new ATOM 1160 N ASP A 79 11.313 8.157 2.239 1.00 0.00 N ATOM 1161 CA ASP A 79 12.521 8.945 2.228 1.00 0.00 C ATOM 1162 C ASP A 79 12.246 10.282 1.527 1.00 0.00 C ATOM 1163 O ASP A 79 13.138 11.101 1.342 1.00 0.00 O ATOM 1164 CB ASP A 79 13.793 8.184 1.796 1.00 0.00 C ATOM 1165 CG ASP A 79 13.838 7.775 0.312 1.00 0.00 C ATOM 1166 OD1 ASP A 79 13.609 8.622 -0.551 1.00 0.00 O ATOM 1167 OD2 ASP A 79 14.124 6.610 0.033 1.00 0.00 O ATOM 0 H ASP A 79 11.295 7.422 1.532 1.00 0.00 H new ATOM 0 HA ASP A 79 12.793 9.182 3.257 1.00 0.00 H new ATOM 0 HB2 ASP A 79 14.661 8.807 2.011 1.00 0.00 H new ATOM 0 HB3 ASP A 79 13.886 7.286 2.407 1.00 0.00 H new ATOM 1172 N GLU A 80 10.959 10.450 1.175 1.00 0.00 N ATOM 1173 CA GLU A 80 10.445 11.655 0.572 1.00 0.00 C ATOM 1174 C GLU A 80 10.214 12.577 1.762 1.00 0.00 C ATOM 1175 O GLU A 80 10.686 13.706 1.819 1.00 0.00 O ATOM 1176 CB GLU A 80 9.147 11.438 -0.232 1.00 0.00 C ATOM 1177 CG GLU A 80 8.538 12.728 -0.807 1.00 0.00 C ATOM 1178 CD GLU A 80 9.479 13.396 -1.823 1.00 0.00 C ATOM 1179 OE1 GLU A 80 9.494 12.972 -2.978 1.00 0.00 O ATOM 1180 OE2 GLU A 80 10.185 14.332 -1.448 1.00 0.00 O ATOM 0 H GLU A 80 10.249 9.730 1.311 1.00 0.00 H new ATOM 0 HA GLU A 80 11.138 12.059 -0.166 1.00 0.00 H new ATOM 0 HB2 GLU A 80 9.352 10.749 -1.052 1.00 0.00 H new ATOM 0 HB3 GLU A 80 8.410 10.957 0.412 1.00 0.00 H new ATOM 0 HG2 GLU A 80 7.587 12.499 -1.288 1.00 0.00 H new ATOM 0 HG3 GLU A 80 8.326 13.424 0.005 1.00 0.00 H new ATOM 1187 N ALA A 81 9.444 11.977 2.701 1.00 0.00 N ATOM 1188 CA ALA A 81 9.060 12.609 3.959 1.00 0.00 C ATOM 1189 C ALA A 81 8.303 13.910 3.628 1.00 0.00 C ATOM 1190 O ALA A 81 8.471 14.938 4.273 1.00 0.00 O ATOM 1191 CB ALA A 81 10.285 12.840 4.863 1.00 0.00 C ATOM 0 H ALA A 81 9.075 11.032 2.593 1.00 0.00 H new ATOM 0 HA ALA A 81 8.399 11.956 4.529 1.00 0.00 H new ATOM 0 HB1 ALA A 81 9.967 13.312 5.793 1.00 0.00 H new ATOM 0 HB2 ALA A 81 10.759 11.884 5.085 1.00 0.00 H new ATOM 0 HB3 ALA A 81 10.997 13.488 4.352 1.00 0.00 H new ATOM 1197 N GLY A 82 7.470 13.780 2.575 1.00 0.00 N ATOM 1198 CA GLY A 82 6.638 14.859 2.061 1.00 0.00 C ATOM 1199 C GLY A 82 5.285 14.258 1.685 1.00 0.00 C ATOM 1200 O GLY A 82 4.225 14.752 2.050 1.00 0.00 O ATOM 0 H GLY A 82 7.364 12.906 2.059 1.00 0.00 H new ATOM 0 HA2 GLY A 82 6.515 15.639 2.812 1.00 0.00 H new ATOM 0 HA3 GLY A 82 7.106 15.323 1.193 1.00 0.00 H new ATOM 1204 N LEU A 83 5.421 13.143 0.935 1.00 0.00 N ATOM 1205 CA LEU A 83 4.279 12.368 0.496 1.00 0.00 C ATOM 1206 C LEU A 83 4.047 11.405 1.662 1.00 0.00 C ATOM 1207 O LEU A 83 4.916 10.619 2.022 1.00 0.00 O ATOM 1208 CB LEU A 83 4.618 11.591 -0.780 1.00 0.00 C ATOM 1209 CG LEU A 83 4.850 12.485 -2.037 1.00 0.00 C ATOM 1210 CD1 LEU A 83 5.479 11.596 -3.151 1.00 0.00 C ATOM 1211 CD2 LEU A 83 4.067 13.784 -2.329 1.00 0.00 C ATOM 0 H LEU A 83 6.321 12.772 0.629 1.00 0.00 H new ATOM 0 HA LEU A 83 3.408 12.979 0.260 1.00 0.00 H new ATOM 0 HB2 LEU A 83 5.514 10.997 -0.602 1.00 0.00 H new ATOM 0 HB3 LEU A 83 3.809 10.892 -0.991 1.00 0.00 H new ATOM 0 HG LEU A 83 5.526 13.298 -1.773 1.00 0.00 H new ATOM 0 HD11 LEU A 83 5.652 12.198 -4.043 1.00 0.00 H new ATOM 0 HD12 LEU A 83 6.427 11.188 -2.799 1.00 0.00 H new ATOM 0 HD13 LEU A 83 4.799 10.779 -3.391 1.00 0.00 H new ATOM 0 HD21 LEU A 83 4.418 14.218 -3.265 1.00 0.00 H new ATOM 0 HD22 LEU A 83 3.004 13.558 -2.410 1.00 0.00 H new ATOM 0 HD23 LEU A 83 4.226 14.495 -1.518 1.00 0.00 H new ATOM 1223 N LYS A 84 2.830 11.529 2.227 1.00 0.00 N ATOM 1224 CA LYS A 84 2.467 10.707 3.369 1.00 0.00 C ATOM 1225 C LYS A 84 1.973 9.373 2.805 1.00 0.00 C ATOM 1226 O LYS A 84 1.124 9.315 1.923 1.00 0.00 O ATOM 1227 CB LYS A 84 1.448 11.440 4.265 1.00 0.00 C ATOM 1228 CG LYS A 84 0.012 11.524 3.713 1.00 0.00 C ATOM 1229 CD LYS A 84 -0.867 10.319 4.082 1.00 0.00 C ATOM 1230 CE LYS A 84 -1.196 10.244 5.573 1.00 0.00 C ATOM 1231 NZ LYS A 84 -2.061 9.111 5.853 1.00 0.00 N ATOM 0 H LYS A 84 2.107 12.176 1.913 1.00 0.00 H new ATOM 0 HA LYS A 84 3.312 10.512 4.029 1.00 0.00 H new ATOM 0 HB2 LYS A 84 1.417 10.940 5.233 1.00 0.00 H new ATOM 0 HB3 LYS A 84 1.810 12.453 4.441 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -0.458 12.433 4.088 1.00 0.00 H new ATOM 0 HG3 LYS A 84 0.055 11.611 2.627 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -1.796 10.368 3.514 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -0.359 9.402 3.783 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -0.275 10.156 6.149 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -1.683 11.166 5.890 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -1.754 8.649 6.733 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -3.042 9.441 5.959 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -2.007 8.431 5.068 1.00 0.00 H new ATOM 1244 N GLY A 85 2.581 8.317 3.379 1.00 0.00 N ATOM 1245 CA GLY A 85 2.266 6.950 2.997 1.00 0.00 C ATOM 1246 C GLY A 85 3.471 6.054 3.284 1.00 0.00 C ATOM 1247 O GLY A 85 4.026 5.411 2.400 1.00 0.00 O ATOM 0 H GLY A 85 3.291 8.397 4.107 1.00 0.00 H new ATOM 0 HA2 GLY A 85 1.396 6.597 3.551 1.00 0.00 H new ATOM 0 HA3 GLY A 85 2.010 6.906 1.938 1.00 0.00 H new ATOM 1251 N ILE A 86 3.826 6.066 4.589 1.00 0.00 N ATOM 1252 CA ILE A 86 4.950 5.287 5.091 1.00 0.00 C ATOM 1253 C ILE A 86 4.466 3.866 5.385 1.00 0.00 C ATOM 1254 O ILE A 86 5.272 2.986 5.660 1.00 0.00 O ATOM 1255 CB ILE A 86 5.572 5.865 6.394 1.00 0.00 C ATOM 1256 CG1 ILE A 86 7.136 6.065 6.293 1.00 0.00 C ATOM 1257 CG2 ILE A 86 4.461 6.574 7.255 1.00 0.00 C ATOM 1258 CD1 ILE A 86 7.826 6.489 7.606 1.00 0.00 C ATOM 0 H ILE A 86 3.342 6.611 5.303 1.00 0.00 H new ATOM 0 HA ILE A 86 5.722 5.312 4.322 1.00 0.00 H new ATOM 0 HB ILE A 86 5.868 5.340 7.302 1.00 0.00 H new ATOM 0 HG12 ILE A 86 7.585 5.133 5.949 1.00 0.00 H new ATOM 0 HG13 ILE A 86 7.342 6.818 5.532 1.00 0.00 H new ATOM 0 HG21 ILE A 86 4.907 6.975 8.165 1.00 0.00 H new ATOM 0 HG22 ILE A 86 4.018 7.387 6.679 1.00 0.00 H new ATOM 0 HG23 ILE A 86 3.688 5.852 7.518 1.00 0.00 H new ATOM 0 HD11 ILE A 86 8.897 6.601 7.435 1.00 0.00 H new ATOM 0 HD12 ILE A 86 7.412 7.439 7.945 1.00 0.00 H new ATOM 0 HD13 ILE A 86 7.658 5.728 8.368 1.00 0.00 H new ATOM 1270 N LYS A 87 3.133 3.680 5.311 1.00 0.00 N ATOM 1271 CA LYS A 87 2.540 2.386 5.576 1.00 0.00 C ATOM 1272 C LYS A 87 2.323 1.745 4.207 1.00 0.00 C ATOM 1273 O LYS A 87 1.753 2.335 3.297 1.00 0.00 O ATOM 1274 CB LYS A 87 1.216 2.547 6.337 1.00 0.00 C ATOM 1275 CG LYS A 87 1.323 3.426 7.592 1.00 0.00 C ATOM 1276 CD LYS A 87 2.417 2.978 8.571 1.00 0.00 C ATOM 1277 CE LYS A 87 2.290 3.662 9.934 1.00 0.00 C ATOM 1278 NZ LYS A 87 2.483 5.105 9.862 1.00 0.00 N ATOM 0 H LYS A 87 2.465 4.412 5.071 1.00 0.00 H new ATOM 0 HA LYS A 87 3.179 1.764 6.203 1.00 0.00 H new ATOM 0 HB2 LYS A 87 0.473 2.977 5.666 1.00 0.00 H new ATOM 0 HB3 LYS A 87 0.852 1.561 6.626 1.00 0.00 H new ATOM 0 HG2 LYS A 87 1.519 4.454 7.288 1.00 0.00 H new ATOM 0 HG3 LYS A 87 0.363 3.424 8.109 1.00 0.00 H new ATOM 0 HD2 LYS A 87 2.364 1.897 8.703 1.00 0.00 H new ATOM 0 HD3 LYS A 87 3.396 3.199 8.145 1.00 0.00 H new ATOM 0 HE2 LYS A 87 1.305 3.452 10.350 1.00 0.00 H new ATOM 0 HE3 LYS A 87 3.023 3.236 10.619 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 2.319 5.524 10.800 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 3.455 5.310 9.556 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 1.812 5.511 9.179 1.00 0.00 H new ATOM 1291 N LEU A 88 2.823 0.498 4.122 1.00 0.00 N ATOM 1292 CA LEU A 88 2.683 -0.240 2.885 1.00 0.00 C ATOM 1293 C LEU A 88 2.363 -1.659 3.328 1.00 0.00 C ATOM 1294 O LEU A 88 2.869 -2.164 4.322 1.00 0.00 O ATOM 1295 CB LEU A 88 3.975 -0.146 2.053 1.00 0.00 C ATOM 1296 CG LEU A 88 4.356 1.329 1.698 1.00 0.00 C ATOM 1297 CD1 LEU A 88 3.371 1.927 0.660 1.00 0.00 C ATOM 1298 CD2 LEU A 88 5.460 2.239 2.315 1.00 0.00 C ATOM 0 H LEU A 88 3.308 0.008 4.873 1.00 0.00 H new ATOM 0 HA LEU A 88 1.902 0.150 2.233 1.00 0.00 H new ATOM 0 HB2 LEU A 88 4.794 -0.606 2.607 1.00 0.00 H new ATOM 0 HB3 LEU A 88 3.853 -0.717 1.133 1.00 0.00 H new ATOM 0 HG LEU A 88 5.396 1.166 1.981 1.00 0.00 H new ATOM 0 HD11 LEU A 88 3.661 2.953 0.433 1.00 0.00 H new ATOM 0 HD12 LEU A 88 3.398 1.331 -0.252 1.00 0.00 H new ATOM 0 HD13 LEU A 88 2.361 1.918 1.069 1.00 0.00 H new ATOM 0 HD21 LEU A 88 5.445 3.212 1.825 1.00 0.00 H new ATOM 0 HD22 LEU A 88 5.272 2.367 3.381 1.00 0.00 H new ATOM 0 HD23 LEU A 88 6.436 1.775 2.172 1.00 0.00 H new ATOM 1310 N PHE A 89 1.442 -2.243 2.543 1.00 0.00 N ATOM 1311 CA PHE A 89 1.024 -3.610 2.768 1.00 0.00 C ATOM 1312 C PHE A 89 0.905 -4.142 1.330 1.00 0.00 C ATOM 1313 O PHE A 89 -0.126 -4.050 0.674 1.00 0.00 O ATOM 1314 CB PHE A 89 -0.253 -3.639 3.647 1.00 0.00 C ATOM 1315 CG PHE A 89 -0.457 -4.903 4.457 1.00 0.00 C ATOM 1316 CD1 PHE A 89 0.330 -6.042 4.271 1.00 0.00 C ATOM 1317 CD2 PHE A 89 -1.479 -4.956 5.407 1.00 0.00 C ATOM 1318 CE1 PHE A 89 0.095 -7.200 4.999 1.00 0.00 C ATOM 1319 CE2 PHE A 89 -1.701 -6.119 6.135 1.00 0.00 C ATOM 1320 CZ PHE A 89 -0.922 -7.242 5.933 1.00 0.00 C ATOM 0 H PHE A 89 0.984 -1.782 1.757 1.00 0.00 H new ATOM 0 HA PHE A 89 1.696 -4.247 3.343 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -0.222 -2.791 4.331 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -1.120 -3.497 3.002 1.00 0.00 H new ATOM 0 HD1 PHE A 89 1.134 -6.021 3.550 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -2.100 -4.089 5.577 1.00 0.00 H new ATOM 0 HE1 PHE A 89 0.710 -8.072 4.835 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -2.493 -6.145 6.869 1.00 0.00 H new ATOM 0 HZ PHE A 89 -1.106 -8.143 6.499 1.00 0.00 H new ATOM 1330 N VAL A 90 2.038 -4.726 0.894 1.00 0.00 N ATOM 1331 CA VAL A 90 2.145 -5.228 -0.465 1.00 0.00 C ATOM 1332 C VAL A 90 1.678 -6.691 -0.533 1.00 0.00 C ATOM 1333 O VAL A 90 2.384 -7.668 -0.308 1.00 0.00 O ATOM 1334 CB VAL A 90 3.621 -5.009 -0.948 1.00 0.00 C ATOM 1335 CG1 VAL A 90 3.744 -3.564 -1.525 1.00 0.00 C ATOM 1336 CG2 VAL A 90 4.846 -5.809 -0.433 1.00 0.00 C ATOM 0 H VAL A 90 2.874 -4.855 1.464 1.00 0.00 H new ATOM 0 HA VAL A 90 1.488 -4.685 -1.144 1.00 0.00 H new ATOM 0 HB VAL A 90 3.824 -5.766 -1.705 1.00 0.00 H new ATOM 0 HG11 VAL A 90 4.765 -3.394 -1.866 1.00 0.00 H new ATOM 0 HG12 VAL A 90 3.057 -3.447 -2.363 1.00 0.00 H new ATOM 0 HG13 VAL A 90 3.495 -2.840 -0.749 1.00 0.00 H new ATOM 0 HG21 VAL A 90 5.748 -5.456 -0.933 1.00 0.00 H new ATOM 0 HG22 VAL A 90 4.948 -5.666 0.643 1.00 0.00 H new ATOM 0 HG23 VAL A 90 4.704 -6.869 -0.646 1.00 0.00 H new ATOM 1346 N GLY A 91 0.381 -6.741 -0.874 1.00 0.00 N ATOM 1347 CA GLY A 91 -0.286 -8.028 -1.044 1.00 0.00 C ATOM 1348 C GLY A 91 0.173 -8.764 -2.313 1.00 0.00 C ATOM 1349 O GLY A 91 0.024 -8.292 -3.435 1.00 0.00 O ATOM 0 H GLY A 91 -0.209 -5.924 -1.033 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -0.089 -8.654 -0.173 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -1.364 -7.872 -1.088 1.00 0.00 H new ATOM 1353 N GLY A 92 0.729 -9.965 -2.032 1.00 0.00 N ATOM 1354 CA GLY A 92 1.263 -10.840 -3.065 1.00 0.00 C ATOM 1355 C GLY A 92 2.763 -10.562 -3.195 1.00 0.00 C ATOM 1356 O GLY A 92 3.602 -11.241 -2.616 1.00 0.00 O ATOM 0 H GLY A 92 0.813 -10.339 -1.087 1.00 0.00 H new ATOM 0 HA2 GLY A 92 1.091 -11.885 -2.806 1.00 0.00 H new ATOM 0 HA3 GLY A 92 0.759 -10.660 -4.014 1.00 0.00 H new ATOM 1360 N ASN A 93 3.010 -9.507 -4.006 1.00 0.00 N ATOM 1361 CA ASN A 93 4.318 -8.959 -4.323 1.00 0.00 C ATOM 1362 C ASN A 93 5.192 -10.113 -4.851 1.00 0.00 C ATOM 1363 O ASN A 93 4.960 -10.649 -5.926 1.00 0.00 O ATOM 1364 CB ASN A 93 4.845 -8.170 -3.100 1.00 0.00 C ATOM 1365 CG ASN A 93 6.098 -7.315 -3.373 1.00 0.00 C ATOM 1366 OD1 ASN A 93 7.005 -7.243 -2.554 1.00 0.00 O ATOM 1367 ND2 ASN A 93 6.089 -6.665 -4.552 1.00 0.00 N ATOM 0 H ASN A 93 2.256 -9.002 -4.471 1.00 0.00 H new ATOM 0 HA ASN A 93 4.309 -8.218 -5.123 1.00 0.00 H new ATOM 0 HB2 ASN A 93 4.050 -7.519 -2.736 1.00 0.00 H new ATOM 0 HB3 ASN A 93 5.071 -8.875 -2.300 1.00 0.00 H new ATOM 0 HD21 ASN A 93 6.873 -6.066 -4.810 1.00 0.00 H new ATOM 0 HD22 ASN A 93 5.298 -6.772 -5.187 1.00 0.00 H new ATOM 1374 N ILE A 94 6.202 -10.463 -4.029 1.00 0.00 N ATOM 1375 CA ILE A 94 7.124 -11.536 -4.357 1.00 0.00 C ATOM 1376 C ILE A 94 6.505 -12.780 -3.713 1.00 0.00 C ATOM 1377 O ILE A 94 6.184 -12.805 -2.532 1.00 0.00 O ATOM 1378 CB ILE A 94 8.566 -11.208 -3.868 1.00 0.00 C ATOM 1379 CG1 ILE A 94 8.638 -10.063 -2.781 1.00 0.00 C ATOM 1380 CG2 ILE A 94 9.497 -12.437 -4.169 1.00 0.00 C ATOM 1381 CD1 ILE A 94 10.057 -9.606 -2.399 1.00 0.00 C ATOM 0 H ILE A 94 6.389 -10.009 -3.135 1.00 0.00 H new ATOM 0 HA ILE A 94 7.250 -11.689 -5.429 1.00 0.00 H new ATOM 0 HB ILE A 94 9.289 -10.533 -4.326 1.00 0.00 H new ATOM 0 HG12 ILE A 94 8.083 -9.200 -3.149 1.00 0.00 H new ATOM 0 HG13 ILE A 94 8.130 -10.408 -1.880 1.00 0.00 H new ATOM 0 HG21 ILE A 94 10.510 -12.218 -3.830 1.00 0.00 H new ATOM 0 HG22 ILE A 94 9.121 -13.315 -3.644 1.00 0.00 H new ATOM 0 HG23 ILE A 94 9.507 -12.632 -5.241 1.00 0.00 H new ATOM 0 HD11 ILE A 94 9.996 -8.819 -1.648 1.00 0.00 H new ATOM 0 HD12 ILE A 94 10.615 -10.451 -1.995 1.00 0.00 H new ATOM 0 HD13 ILE A 94 10.567 -9.224 -3.284 1.00 0.00 H new ATOM 1393 N VAL A 95 6.351 -13.800 -4.584 1.00 0.00 N ATOM 1394 CA VAL A 95 5.773 -15.079 -4.209 1.00 0.00 C ATOM 1395 C VAL A 95 6.800 -15.858 -3.366 1.00 0.00 C ATOM 1396 O VAL A 95 7.999 -15.614 -3.425 1.00 0.00 O ATOM 1397 CB VAL A 95 5.341 -15.826 -5.500 1.00 0.00 C ATOM 1398 CG1 VAL A 95 6.626 -16.074 -6.390 1.00 0.00 C ATOM 1399 CG2 VAL A 95 4.103 -16.709 -5.080 1.00 0.00 C ATOM 0 H VAL A 95 6.629 -13.746 -5.564 1.00 0.00 H new ATOM 0 HA VAL A 95 4.881 -14.958 -3.594 1.00 0.00 H new ATOM 0 HB VAL A 95 4.836 -15.437 -6.384 1.00 0.00 H new ATOM 0 HG11 VAL A 95 6.341 -16.598 -7.302 1.00 0.00 H new ATOM 0 HG12 VAL A 95 7.080 -15.117 -6.648 1.00 0.00 H new ATOM 0 HG13 VAL A 95 7.343 -16.677 -5.833 1.00 0.00 H new ATOM 0 HG21 VAL A 95 3.744 -17.267 -5.945 1.00 0.00 H new ATOM 0 HG22 VAL A 95 4.402 -17.406 -4.297 1.00 0.00 H new ATOM 0 HG23 VAL A 95 3.307 -16.065 -4.707 1.00 0.00 H new ATOM 1409 N VAL A 96 6.218 -16.797 -2.584 1.00 0.00 N ATOM 1410 CA VAL A 96 6.886 -17.711 -1.665 1.00 0.00 C ATOM 1411 C VAL A 96 7.950 -17.014 -0.792 1.00 0.00 C ATOM 1412 O VAL A 96 9.079 -16.766 -1.196 1.00 0.00 O ATOM 1413 CB VAL A 96 7.385 -19.007 -2.386 1.00 0.00 C ATOM 1414 CG1 VAL A 96 8.387 -18.699 -3.541 1.00 0.00 C ATOM 1415 CG2 VAL A 96 7.157 -20.467 -1.887 1.00 0.00 C ATOM 0 H VAL A 96 5.207 -16.934 -2.588 1.00 0.00 H new ATOM 0 HA VAL A 96 6.137 -18.052 -0.950 1.00 0.00 H new ATOM 0 HB VAL A 96 6.432 -19.489 -2.602 1.00 0.00 H new ATOM 0 HG11 VAL A 96 8.702 -19.632 -4.008 1.00 0.00 H new ATOM 0 HG12 VAL A 96 7.902 -18.067 -4.285 1.00 0.00 H new ATOM 0 HG13 VAL A 96 9.258 -18.182 -3.139 1.00 0.00 H new ATOM 0 HG21 VAL A 96 7.614 -21.166 -2.587 1.00 0.00 H new ATOM 0 HG22 VAL A 96 7.610 -20.590 -0.903 1.00 0.00 H new ATOM 0 HG23 VAL A 96 6.087 -20.666 -1.821 1.00 0.00 H new ATOM 1425 N GLY A 97 7.488 -16.734 0.444 1.00 0.00 N ATOM 1426 CA GLY A 97 8.310 -16.079 1.448 1.00 0.00 C ATOM 1427 C GLY A 97 7.401 -15.311 2.408 1.00 0.00 C ATOM 1428 O GLY A 97 6.305 -14.897 2.051 1.00 0.00 O ATOM 0 H GLY A 97 6.544 -16.958 0.759 1.00 0.00 H new ATOM 0 HA2 GLY A 97 8.897 -16.817 1.994 1.00 0.00 H new ATOM 0 HA3 GLY A 97 9.016 -15.399 0.972 1.00 0.00 H new ATOM 1432 N LYS A 98 7.927 -15.162 3.642 1.00 0.00 N ATOM 1433 CA LYS A 98 7.208 -14.451 4.687 1.00 0.00 C ATOM 1434 C LYS A 98 8.181 -14.420 5.864 1.00 0.00 C ATOM 1435 O LYS A 98 8.656 -15.456 6.311 1.00 0.00 O ATOM 1436 CB LYS A 98 5.893 -15.159 5.083 1.00 0.00 C ATOM 1437 CG LYS A 98 5.082 -14.378 6.126 1.00 0.00 C ATOM 1438 CD LYS A 98 3.724 -15.031 6.412 1.00 0.00 C ATOM 1439 CE LYS A 98 2.886 -14.244 7.425 1.00 0.00 C ATOM 1440 NZ LYS A 98 2.451 -12.948 6.917 1.00 0.00 N ATOM 0 H LYS A 98 8.838 -15.525 3.924 1.00 0.00 H new ATOM 0 HA LYS A 98 6.907 -13.457 4.356 1.00 0.00 H new ATOM 0 HB2 LYS A 98 5.283 -15.305 4.192 1.00 0.00 H new ATOM 0 HB3 LYS A 98 6.124 -16.149 5.477 1.00 0.00 H new ATOM 0 HG2 LYS A 98 5.653 -14.311 7.052 1.00 0.00 H new ATOM 0 HG3 LYS A 98 4.926 -13.359 5.773 1.00 0.00 H new ATOM 0 HD2 LYS A 98 3.167 -15.122 5.480 1.00 0.00 H new ATOM 0 HD3 LYS A 98 3.884 -16.042 6.788 1.00 0.00 H new ATOM 0 HE2 LYS A 98 2.011 -14.833 7.701 1.00 0.00 H new ATOM 0 HE3 LYS A 98 3.469 -14.095 8.334 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 1.820 -12.498 7.610 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 3.280 -12.341 6.759 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 1.942 -13.080 6.020 1.00 0.00 H new ATOM 1453 N GLN A 99 8.436 -13.166 6.315 1.00 0.00 N ATOM 1454 CA GLN A 99 9.322 -12.839 7.429 1.00 0.00 C ATOM 1455 C GLN A 99 10.734 -12.736 6.842 1.00 0.00 C ATOM 1456 O GLN A 99 11.336 -11.670 6.808 1.00 0.00 O ATOM 1457 CB GLN A 99 9.199 -13.806 8.634 1.00 0.00 C ATOM 1458 CG GLN A 99 9.904 -13.319 9.914 1.00 0.00 C ATOM 1459 CD GLN A 99 11.435 -13.389 9.805 1.00 0.00 C ATOM 1460 OE1 GLN A 99 12.124 -12.378 9.765 1.00 0.00 O ATOM 1461 NE2 GLN A 99 11.912 -14.647 9.760 1.00 0.00 N ATOM 0 H GLN A 99 8.012 -12.340 5.892 1.00 0.00 H new ATOM 0 HA GLN A 99 9.035 -11.888 7.878 1.00 0.00 H new ATOM 0 HB2 GLN A 99 8.143 -13.963 8.853 1.00 0.00 H new ATOM 0 HB3 GLN A 99 9.613 -14.774 8.351 1.00 0.00 H new ATOM 0 HG2 GLN A 99 9.604 -12.292 10.122 1.00 0.00 H new ATOM 0 HG3 GLN A 99 9.575 -13.924 10.759 1.00 0.00 H new ATOM 0 HE21 GLN A 99 11.269 -15.438 9.799 1.00 0.00 H new ATOM 0 HE22 GLN A 99 12.916 -14.809 9.687 1.00 0.00 H new ATOM 1470 N ASN A 100 11.219 -13.917 6.401 1.00 0.00 N ATOM 1471 CA ASN A 100 12.533 -14.062 5.810 1.00 0.00 C ATOM 1472 C ASN A 100 12.284 -13.970 4.306 1.00 0.00 C ATOM 1473 O ASN A 100 11.360 -14.568 3.767 1.00 0.00 O ATOM 1474 CB ASN A 100 13.179 -15.395 6.241 1.00 0.00 C ATOM 1475 CG ASN A 100 12.268 -16.611 5.990 1.00 0.00 C ATOM 1476 OD1 ASN A 100 11.389 -16.929 6.782 1.00 0.00 O ATOM 1477 ND2 ASN A 100 12.542 -17.264 4.846 1.00 0.00 N ATOM 0 H ASN A 100 10.694 -14.790 6.453 1.00 0.00 H new ATOM 0 HA ASN A 100 13.240 -13.298 6.133 1.00 0.00 H new ATOM 0 HB2 ASN A 100 14.115 -15.531 5.700 1.00 0.00 H new ATOM 0 HB3 ASN A 100 13.428 -15.346 7.301 1.00 0.00 H new ATOM 0 HD21 ASN A 100 11.999 -18.088 4.586 1.00 0.00 H new ATOM 0 HD22 ASN A 100 13.292 -16.935 4.238 1.00 0.00 H new ATOM 1484 N TRP A 101 13.166 -13.164 3.683 1.00 0.00 N ATOM 1485 CA TRP A 101 13.100 -12.928 2.253 1.00 0.00 C ATOM 1486 C TRP A 101 14.559 -12.950 1.783 1.00 0.00 C ATOM 1487 O TRP A 101 15.474 -12.905 2.599 1.00 0.00 O ATOM 1488 CB TRP A 101 12.497 -11.538 1.988 1.00 0.00 C ATOM 1489 CG TRP A 101 11.027 -11.533 2.335 1.00 0.00 C ATOM 1490 CD1 TRP A 101 10.464 -11.107 3.540 1.00 0.00 C ATOM 1491 CD2 TRP A 101 9.935 -11.949 1.495 1.00 0.00 C ATOM 1492 NE1 TRP A 101 9.118 -11.239 3.476 1.00 0.00 N ATOM 1493 CE2 TRP A 101 8.749 -11.751 2.240 1.00 0.00 C ATOM 1494 CE3 TRP A 101 9.875 -12.453 0.224 1.00 0.00 C ATOM 1495 CZ2 TRP A 101 7.539 -12.061 1.687 1.00 0.00 C ATOM 1496 CZ3 TRP A 101 8.642 -12.772 -0.340 1.00 0.00 C ATOM 1497 CH2 TRP A 101 7.473 -12.575 0.392 1.00 0.00 C ATOM 0 H TRP A 101 13.924 -12.674 4.157 1.00 0.00 H new ATOM 0 HA TRP A 101 12.485 -13.666 1.738 1.00 0.00 H new ATOM 0 HB2 TRP A 101 13.021 -10.787 2.580 1.00 0.00 H new ATOM 0 HB3 TRP A 101 12.632 -11.269 0.940 1.00 0.00 H new ATOM 0 HD1 TRP A 101 11.015 -10.731 4.389 1.00 0.00 H new ATOM 0 HE1 TRP A 101 8.470 -10.998 4.226 1.00 0.00 H new ATOM 0 HE3 TRP A 101 10.783 -12.603 -0.341 1.00 0.00 H new ATOM 0 HZ2 TRP A 101 6.632 -11.908 2.253 1.00 0.00 H new ATOM 0 HZ3 TRP A 101 8.592 -13.171 -1.342 1.00 0.00 H new ATOM 0 HH2 TRP A 101 6.516 -12.820 -0.043 1.00 0.00 H new ATOM 1508 N PRO A 102 14.762 -13.017 0.429 1.00 0.00 N ATOM 1509 CA PRO A 102 16.105 -13.012 -0.151 1.00 0.00 C ATOM 1510 C PRO A 102 16.742 -11.618 0.091 1.00 0.00 C ATOM 1511 O PRO A 102 16.495 -10.951 1.088 1.00 0.00 O ATOM 1512 CB PRO A 102 15.880 -13.354 -1.647 1.00 0.00 C ATOM 1513 CG PRO A 102 14.471 -13.935 -1.730 1.00 0.00 C ATOM 1514 CD PRO A 102 13.717 -13.313 -0.557 1.00 0.00 C ATOM 0 HA PRO A 102 16.799 -13.729 0.287 1.00 0.00 H new ATOM 0 HB2 PRO A 102 15.974 -12.465 -2.270 1.00 0.00 H new ATOM 0 HB3 PRO A 102 16.621 -14.071 -2.000 1.00 0.00 H new ATOM 0 HG2 PRO A 102 13.997 -13.687 -2.680 1.00 0.00 H new ATOM 0 HG3 PRO A 102 14.488 -15.022 -1.656 1.00 0.00 H new ATOM 0 HD2 PRO A 102 13.187 -12.409 -0.859 1.00 0.00 H new ATOM 0 HD3 PRO A 102 12.972 -13.999 -0.154 1.00 0.00 H new ATOM 1522 N ASP A 103 17.544 -11.202 -0.914 1.00 0.00 N ATOM 1523 CA ASP A 103 18.262 -9.937 -0.878 1.00 0.00 C ATOM 1524 C ASP A 103 17.251 -8.797 -1.065 1.00 0.00 C ATOM 1525 O ASP A 103 17.485 -7.675 -0.627 1.00 0.00 O ATOM 1526 CB ASP A 103 19.377 -9.916 -1.946 1.00 0.00 C ATOM 1527 CG ASP A 103 18.837 -10.123 -3.377 1.00 0.00 C ATOM 1528 OD1 ASP A 103 18.734 -11.270 -3.812 1.00 0.00 O ATOM 1529 OD2 ASP A 103 18.527 -9.133 -4.041 1.00 0.00 O ATOM 0 H ASP A 103 17.702 -11.742 -1.765 1.00 0.00 H new ATOM 0 HA ASP A 103 18.756 -9.807 0.085 1.00 0.00 H new ATOM 0 HB2 ASP A 103 19.904 -8.963 -1.896 1.00 0.00 H new ATOM 0 HB3 ASP A 103 20.105 -10.696 -1.721 1.00 0.00 H new ATOM 1534 N VAL A 104 16.120 -9.149 -1.726 1.00 0.00 N ATOM 1535 CA VAL A 104 15.060 -8.191 -1.998 1.00 0.00 C ATOM 1536 C VAL A 104 14.595 -7.499 -0.713 1.00 0.00 C ATOM 1537 O VAL A 104 14.910 -6.330 -0.521 1.00 0.00 O ATOM 1538 CB VAL A 104 13.885 -8.792 -2.841 1.00 0.00 C ATOM 1539 CG1 VAL A 104 13.469 -10.206 -2.324 1.00 0.00 C ATOM 1540 CG2 VAL A 104 12.928 -7.889 -3.652 1.00 0.00 C ATOM 0 H VAL A 104 15.934 -10.090 -2.073 1.00 0.00 H new ATOM 0 HA VAL A 104 15.486 -7.417 -2.637 1.00 0.00 H new ATOM 0 HB VAL A 104 14.278 -8.974 -3.841 1.00 0.00 H new ATOM 0 HG11 VAL A 104 12.651 -10.590 -2.934 1.00 0.00 H new ATOM 0 HG12 VAL A 104 14.321 -10.883 -2.391 1.00 0.00 H new ATOM 0 HG13 VAL A 104 13.144 -10.133 -1.286 1.00 0.00 H new ATOM 0 HG21 VAL A 104 12.189 -8.507 -4.161 1.00 0.00 H new ATOM 0 HG22 VAL A 104 12.421 -7.198 -2.978 1.00 0.00 H new ATOM 0 HG23 VAL A 104 13.498 -7.324 -4.389 1.00 0.00 H new ATOM 1550 N GLU A 105 13.859 -8.239 0.161 1.00 0.00 N ATOM 1551 CA GLU A 105 13.413 -7.589 1.380 1.00 0.00 C ATOM 1552 C GLU A 105 14.461 -7.786 2.473 1.00 0.00 C ATOM 1553 O GLU A 105 14.115 -7.784 3.643 1.00 0.00 O ATOM 1554 CB GLU A 105 11.989 -7.930 1.844 1.00 0.00 C ATOM 1555 CG GLU A 105 10.969 -8.022 0.698 1.00 0.00 C ATOM 1556 CD GLU A 105 9.518 -8.181 1.193 1.00 0.00 C ATOM 1557 OE1 GLU A 105 9.146 -7.534 2.173 1.00 0.00 O ATOM 1558 OE2 GLU A 105 8.768 -8.945 0.587 1.00 0.00 O ATOM 0 H GLU A 105 13.588 -9.215 0.042 1.00 0.00 H new ATOM 0 HA GLU A 105 13.325 -6.529 1.144 1.00 0.00 H new ATOM 0 HB2 GLU A 105 12.009 -8.880 2.378 1.00 0.00 H new ATOM 0 HB3 GLU A 105 11.657 -7.172 2.554 1.00 0.00 H new ATOM 0 HG2 GLU A 105 11.041 -7.125 0.083 1.00 0.00 H new ATOM 0 HG3 GLU A 105 11.224 -8.868 0.060 1.00 0.00 H new ATOM 1565 N GLN A 106 15.747 -7.969 2.088 1.00 0.00 N ATOM 1566 CA GLN A 106 16.774 -8.039 3.124 1.00 0.00 C ATOM 1567 C GLN A 106 16.897 -6.578 3.605 1.00 0.00 C ATOM 1568 O GLN A 106 16.967 -6.278 4.791 1.00 0.00 O ATOM 1569 CB GLN A 106 18.115 -8.541 2.560 1.00 0.00 C ATOM 1570 CG GLN A 106 19.247 -8.554 3.598 1.00 0.00 C ATOM 1571 CD GLN A 106 20.548 -9.098 2.985 1.00 0.00 C ATOM 1572 OE1 GLN A 106 20.542 -9.946 2.101 1.00 0.00 O ATOM 1573 NE2 GLN A 106 21.657 -8.548 3.513 1.00 0.00 N ATOM 0 H GLN A 106 16.073 -8.064 1.126 1.00 0.00 H new ATOM 0 HA GLN A 106 16.515 -8.736 3.921 1.00 0.00 H new ATOM 0 HB2 GLN A 106 17.981 -9.549 2.167 1.00 0.00 H new ATOM 0 HB3 GLN A 106 18.408 -7.908 1.722 1.00 0.00 H new ATOM 0 HG2 GLN A 106 19.412 -7.544 3.974 1.00 0.00 H new ATOM 0 HG3 GLN A 106 18.957 -9.169 4.450 1.00 0.00 H new ATOM 0 HE21 GLN A 106 21.577 -7.846 4.248 1.00 0.00 H new ATOM 0 HE22 GLN A 106 22.577 -8.833 3.178 1.00 0.00 H new ATOM 1582 N ARG A 107 16.882 -5.707 2.568 1.00 0.00 N ATOM 1583 CA ARG A 107 16.971 -4.273 2.738 1.00 0.00 C ATOM 1584 C ARG A 107 15.542 -3.710 2.884 1.00 0.00 C ATOM 1585 O ARG A 107 15.380 -2.651 3.477 1.00 0.00 O ATOM 1586 CB ARG A 107 17.727 -3.642 1.550 1.00 0.00 C ATOM 1587 CG ARG A 107 17.194 -4.080 0.174 1.00 0.00 C ATOM 1588 CD ARG A 107 17.807 -3.303 -0.997 1.00 0.00 C ATOM 1589 NE ARG A 107 17.439 -1.894 -0.912 1.00 0.00 N ATOM 1590 CZ ARG A 107 17.627 -1.030 -1.934 1.00 0.00 C ATOM 1591 NH1 ARG A 107 18.179 -1.424 -3.080 1.00 0.00 N ATOM 1592 NH2 ARG A 107 17.251 0.237 -1.793 1.00 0.00 N ATOM 0 H ARG A 107 16.807 -6.000 1.594 1.00 0.00 H new ATOM 0 HA ARG A 107 17.536 -4.027 3.637 1.00 0.00 H new ATOM 0 HB2 ARG A 107 17.663 -2.556 1.626 1.00 0.00 H new ATOM 0 HB3 ARG A 107 18.782 -3.905 1.621 1.00 0.00 H new ATOM 0 HG2 ARG A 107 17.393 -5.143 0.038 1.00 0.00 H new ATOM 0 HG3 ARG A 107 16.111 -3.954 0.156 1.00 0.00 H new ATOM 0 HD2 ARG A 107 18.892 -3.405 -0.983 1.00 0.00 H new ATOM 0 HD3 ARG A 107 17.460 -3.721 -1.942 1.00 0.00 H new ATOM 0 HE ARG A 107 17.024 -1.547 -0.047 1.00 0.00 H new ATOM 0 HH11 ARG A 107 18.469 -2.395 -3.199 1.00 0.00 H new ATOM 0 HH12 ARG A 107 18.312 -0.755 -3.839 1.00 0.00 H new ATOM 0 HH21 ARG A 107 16.825 0.549 -0.920 1.00 0.00 H new ATOM 0 HH22 ARG A 107 17.388 0.898 -2.558 1.00 0.00 H new ATOM 1606 N PHE A 108 14.514 -4.426 2.345 1.00 0.00 N ATOM 1607 CA PHE A 108 13.154 -3.887 2.465 1.00 0.00 C ATOM 1608 C PHE A 108 12.552 -4.314 3.806 1.00 0.00 C ATOM 1609 O PHE A 108 11.507 -3.793 4.162 1.00 0.00 O ATOM 1610 CB PHE A 108 12.191 -4.184 1.289 1.00 0.00 C ATOM 1611 CG PHE A 108 12.755 -3.904 -0.085 1.00 0.00 C ATOM 1612 CD1 PHE A 108 13.658 -2.865 -0.306 1.00 0.00 C ATOM 1613 CD2 PHE A 108 12.360 -4.681 -1.173 1.00 0.00 C ATOM 1614 CE1 PHE A 108 14.159 -2.622 -1.576 1.00 0.00 C ATOM 1615 CE2 PHE A 108 12.864 -4.440 -2.443 1.00 0.00 C ATOM 1616 CZ PHE A 108 13.767 -3.412 -2.645 1.00 0.00 C ATOM 0 H PHE A 108 14.601 -5.317 1.857 1.00 0.00 H new ATOM 0 HA PHE A 108 13.268 -2.804 2.420 1.00 0.00 H new ATOM 0 HB2 PHE A 108 11.895 -5.232 1.337 1.00 0.00 H new ATOM 0 HB3 PHE A 108 11.286 -3.591 1.422 1.00 0.00 H new ATOM 0 HD1 PHE A 108 13.970 -2.243 0.520 1.00 0.00 H new ATOM 0 HD2 PHE A 108 11.651 -5.482 -1.025 1.00 0.00 H new ATOM 0 HE1 PHE A 108 14.858 -1.814 -1.733 1.00 0.00 H new ATOM 0 HE2 PHE A 108 12.551 -5.055 -3.274 1.00 0.00 H new ATOM 0 HZ PHE A 108 14.165 -3.226 -3.632 1.00 0.00 H new ATOM 1626 N LYS A 109 13.185 -5.290 4.503 1.00 0.00 N ATOM 1627 CA LYS A 109 12.711 -5.690 5.835 1.00 0.00 C ATOM 1628 C LYS A 109 13.459 -4.810 6.843 1.00 0.00 C ATOM 1629 O LYS A 109 13.010 -4.656 7.973 1.00 0.00 O ATOM 1630 CB LYS A 109 12.830 -7.185 6.203 1.00 0.00 C ATOM 1631 CG LYS A 109 11.714 -8.063 5.607 1.00 0.00 C ATOM 1632 CD LYS A 109 10.324 -7.773 6.206 1.00 0.00 C ATOM 1633 CE LYS A 109 9.231 -8.696 5.663 1.00 0.00 C ATOM 1634 NZ LYS A 109 7.904 -8.319 6.137 1.00 0.00 N ATOM 0 H LYS A 109 14.004 -5.799 4.169 1.00 0.00 H new ATOM 0 HA LYS A 109 11.631 -5.542 5.848 1.00 0.00 H new ATOM 0 HB2 LYS A 109 13.795 -7.558 5.860 1.00 0.00 H new ATOM 0 HB3 LYS A 109 12.817 -7.284 7.288 1.00 0.00 H new ATOM 0 HG2 LYS A 109 11.677 -7.908 4.529 1.00 0.00 H new ATOM 0 HG3 LYS A 109 11.961 -9.112 5.770 1.00 0.00 H new ATOM 0 HD2 LYS A 109 10.373 -7.877 7.290 1.00 0.00 H new ATOM 0 HD3 LYS A 109 10.054 -6.738 5.997 1.00 0.00 H new ATOM 0 HE2 LYS A 109 9.246 -8.672 4.573 1.00 0.00 H new ATOM 0 HE3 LYS A 109 9.443 -9.722 5.962 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 7.196 -8.972 5.744 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 7.880 -8.367 7.176 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 7.688 -7.349 5.830 1.00 0.00 H new ATOM 1647 N ALA A 110 14.610 -4.238 6.394 1.00 0.00 N ATOM 1648 CA ALA A 110 15.404 -3.353 7.242 1.00 0.00 C ATOM 1649 C ALA A 110 14.501 -2.151 7.581 1.00 0.00 C ATOM 1650 O ALA A 110 14.560 -1.588 8.667 1.00 0.00 O ATOM 1651 CB ALA A 110 16.692 -2.921 6.526 1.00 0.00 C ATOM 0 H ALA A 110 14.991 -4.381 5.459 1.00 0.00 H new ATOM 0 HA ALA A 110 15.725 -3.855 8.155 1.00 0.00 H new ATOM 0 HB1 ALA A 110 17.267 -2.262 7.177 1.00 0.00 H new ATOM 0 HB2 ALA A 110 17.287 -3.802 6.284 1.00 0.00 H new ATOM 0 HB3 ALA A 110 16.438 -2.392 5.608 1.00 0.00 H new ATOM 1657 N MET A 111 13.656 -1.823 6.576 1.00 0.00 N ATOM 1658 CA MET A 111 12.674 -0.765 6.686 1.00 0.00 C ATOM 1659 C MET A 111 11.442 -1.456 7.297 1.00 0.00 C ATOM 1660 O MET A 111 10.886 -1.015 8.294 1.00 0.00 O ATOM 1661 CB MET A 111 12.388 -0.178 5.295 1.00 0.00 C ATOM 1662 CG MET A 111 13.603 0.550 4.710 1.00 0.00 C ATOM 1663 SD MET A 111 13.203 1.334 3.140 1.00 0.00 S ATOM 1664 CE MET A 111 14.715 2.282 2.913 1.00 0.00 C ATOM 0 H MET A 111 13.651 -2.296 5.673 1.00 0.00 H new ATOM 0 HA MET A 111 12.998 0.075 7.301 1.00 0.00 H new ATOM 0 HB2 MET A 111 12.087 -0.979 4.620 1.00 0.00 H new ATOM 0 HB3 MET A 111 11.549 0.515 5.361 1.00 0.00 H new ATOM 0 HG2 MET A 111 13.953 1.303 5.416 1.00 0.00 H new ATOM 0 HG3 MET A 111 14.420 -0.158 4.568 1.00 0.00 H new ATOM 0 HE1 MET A 111 14.656 2.843 1.980 1.00 0.00 H new ATOM 0 HE2 MET A 111 14.839 2.974 3.746 1.00 0.00 H new ATOM 0 HE3 MET A 111 15.567 1.604 2.875 1.00 0.00 H new ATOM 1674 N GLY A 112 11.075 -2.571 6.618 1.00 0.00 N ATOM 1675 CA GLY A 112 9.969 -3.457 6.956 1.00 0.00 C ATOM 1676 C GLY A 112 8.621 -2.811 7.311 1.00 0.00 C ATOM 1677 O GLY A 112 7.826 -3.403 8.030 1.00 0.00 O ATOM 0 H GLY A 112 11.575 -2.878 5.784 1.00 0.00 H new ATOM 0 HA2 GLY A 112 9.808 -4.129 6.113 1.00 0.00 H new ATOM 0 HA3 GLY A 112 10.279 -4.073 7.800 1.00 0.00 H new ATOM 1681 N PHE A 113 8.396 -1.589 6.773 1.00 0.00 N ATOM 1682 CA PHE A 113 7.116 -0.921 6.998 1.00 0.00 C ATOM 1683 C PHE A 113 6.126 -1.480 5.942 1.00 0.00 C ATOM 1684 O PHE A 113 4.943 -1.164 5.948 1.00 0.00 O ATOM 1685 CB PHE A 113 7.243 0.619 7.002 1.00 0.00 C ATOM 1686 CG PHE A 113 8.164 1.213 5.960 1.00 0.00 C ATOM 1687 CD1 PHE A 113 8.128 0.813 4.626 1.00 0.00 C ATOM 1688 CD2 PHE A 113 9.073 2.202 6.330 1.00 0.00 C ATOM 1689 CE1 PHE A 113 8.981 1.379 3.692 1.00 0.00 C ATOM 1690 CE2 PHE A 113 9.925 2.776 5.394 1.00 0.00 C ATOM 1691 CZ PHE A 113 9.881 2.362 4.071 1.00 0.00 C ATOM 0 H PHE A 113 9.064 -1.071 6.202 1.00 0.00 H new ATOM 0 HA PHE A 113 6.732 -1.136 7.995 1.00 0.00 H new ATOM 0 HB2 PHE A 113 6.249 1.046 6.865 1.00 0.00 H new ATOM 0 HB3 PHE A 113 7.591 0.932 7.986 1.00 0.00 H new ATOM 0 HD1 PHE A 113 7.427 0.052 4.316 1.00 0.00 H new ATOM 0 HD2 PHE A 113 9.116 2.527 7.359 1.00 0.00 H new ATOM 0 HE1 PHE A 113 8.944 1.052 2.663 1.00 0.00 H new ATOM 0 HE2 PHE A 113 10.621 3.544 5.697 1.00 0.00 H new ATOM 0 HZ PHE A 113 10.544 2.803 3.341 1.00 0.00 H new ATOM 1701 N ASP A 114 6.697 -2.324 5.050 1.00 0.00 N ATOM 1702 CA ASP A 114 6.042 -3.022 3.972 1.00 0.00 C ATOM 1703 C ASP A 114 5.937 -4.474 4.454 1.00 0.00 C ATOM 1704 O ASP A 114 6.929 -5.134 4.740 1.00 0.00 O ATOM 1705 CB ASP A 114 6.850 -2.893 2.664 1.00 0.00 C ATOM 1706 CG ASP A 114 8.336 -3.292 2.824 1.00 0.00 C ATOM 1707 OD1 ASP A 114 9.110 -2.491 3.350 1.00 0.00 O ATOM 1708 OD2 ASP A 114 8.703 -4.395 2.418 1.00 0.00 O ATOM 0 H ASP A 114 7.695 -2.534 5.087 1.00 0.00 H new ATOM 0 HA ASP A 114 5.059 -2.612 3.740 1.00 0.00 H new ATOM 0 HB2 ASP A 114 6.393 -3.520 1.899 1.00 0.00 H new ATOM 0 HB3 ASP A 114 6.793 -1.864 2.309 1.00 0.00 H new ATOM 1713 N ARG A 115 4.664 -4.907 4.538 1.00 0.00 N ATOM 1714 CA ARG A 115 4.321 -6.261 4.948 1.00 0.00 C ATOM 1715 C ARG A 115 3.798 -6.883 3.653 1.00 0.00 C ATOM 1716 O ARG A 115 3.759 -6.219 2.625 1.00 0.00 O ATOM 1717 CB ARG A 115 3.302 -6.283 6.114 1.00 0.00 C ATOM 1718 CG ARG A 115 2.575 -4.956 6.404 1.00 0.00 C ATOM 1719 CD ARG A 115 3.387 -4.005 7.292 1.00 0.00 C ATOM 1720 NE ARG A 115 2.598 -2.813 7.580 1.00 0.00 N ATOM 1721 CZ ARG A 115 3.045 -1.850 8.416 1.00 0.00 C ATOM 1722 NH1 ARG A 115 4.230 -1.950 9.014 1.00 0.00 N ATOM 1723 NH2 ARG A 115 2.289 -0.782 8.646 1.00 0.00 N ATOM 0 H ARG A 115 3.856 -4.323 4.322 1.00 0.00 H new ATOM 0 HA ARG A 115 5.161 -6.820 5.361 1.00 0.00 H new ATOM 0 HB2 ARG A 115 2.553 -7.045 5.900 1.00 0.00 H new ATOM 0 HB3 ARG A 115 3.823 -6.594 7.019 1.00 0.00 H new ATOM 0 HG2 ARG A 115 2.350 -4.459 5.461 1.00 0.00 H new ATOM 0 HG3 ARG A 115 1.622 -5.169 6.887 1.00 0.00 H new ATOM 0 HD2 ARG A 115 3.662 -4.504 8.221 1.00 0.00 H new ATOM 0 HD3 ARG A 115 4.315 -3.727 6.792 1.00 0.00 H new ATOM 0 HE ARG A 115 1.685 -2.703 7.139 1.00 0.00 H new ATOM 0 HH11 ARG A 115 4.820 -2.765 8.845 1.00 0.00 H new ATOM 0 HH12 ARG A 115 4.549 -1.212 9.641 1.00 0.00 H new ATOM 0 HH21 ARG A 115 1.379 -0.694 8.193 1.00 0.00 H new ATOM 0 HH22 ARG A 115 2.618 -0.050 9.276 1.00 0.00 H new ATOM 1737 N VAL A 116 3.410 -8.179 3.731 1.00 0.00 N ATOM 1738 CA VAL A 116 2.902 -8.836 2.527 1.00 0.00 C ATOM 1739 C VAL A 116 1.713 -9.718 2.950 1.00 0.00 C ATOM 1740 O VAL A 116 1.642 -10.227 4.062 1.00 0.00 O ATOM 1741 CB VAL A 116 4.027 -9.730 1.832 1.00 0.00 C ATOM 1742 CG1 VAL A 116 4.097 -10.611 0.515 1.00 0.00 C ATOM 1743 CG2 VAL A 116 5.371 -8.967 1.892 1.00 0.00 C ATOM 0 H VAL A 116 3.439 -8.755 4.572 1.00 0.00 H new ATOM 0 HA VAL A 116 2.595 -8.085 1.799 1.00 0.00 H new ATOM 0 HB VAL A 116 3.676 -10.569 2.432 1.00 0.00 H new ATOM 0 HG11 VAL A 116 5.087 -11.058 0.428 1.00 0.00 H new ATOM 0 HG12 VAL A 116 3.346 -11.400 0.565 1.00 0.00 H new ATOM 0 HG13 VAL A 116 3.905 -9.982 -0.354 1.00 0.00 H new ATOM 0 HG21 VAL A 116 6.151 -9.566 1.421 1.00 0.00 H new ATOM 0 HG22 VAL A 116 5.274 -8.018 1.365 1.00 0.00 H new ATOM 0 HG23 VAL A 116 5.637 -8.779 2.932 1.00 0.00 H new ATOM 1753 N TYR A 117 0.810 -9.864 1.950 1.00 0.00 N ATOM 1754 CA TYR A 117 -0.390 -10.687 2.144 1.00 0.00 C ATOM 1755 C TYR A 117 -0.013 -12.021 1.464 1.00 0.00 C ATOM 1756 O TYR A 117 0.803 -12.034 0.549 1.00 0.00 O ATOM 1757 CB TYR A 117 -1.662 -10.137 1.447 1.00 0.00 C ATOM 1758 CG TYR A 117 -2.226 -8.821 1.943 1.00 0.00 C ATOM 1759 CD1 TYR A 117 -1.503 -7.637 1.883 1.00 0.00 C ATOM 1760 CD2 TYR A 117 -3.533 -8.754 2.416 1.00 0.00 C ATOM 1761 CE1 TYR A 117 -2.085 -6.425 2.213 1.00 0.00 C ATOM 1762 CE2 TYR A 117 -4.119 -7.551 2.787 1.00 0.00 C ATOM 1763 CZ TYR A 117 -3.398 -6.361 2.682 1.00 0.00 C ATOM 1764 OH TYR A 117 -3.954 -5.147 3.078 1.00 0.00 O ATOM 0 H TYR A 117 0.892 -9.433 1.029 1.00 0.00 H new ATOM 0 HA TYR A 117 -0.641 -10.740 3.203 1.00 0.00 H new ATOM 0 HB2 TYR A 117 -1.441 -10.028 0.385 1.00 0.00 H new ATOM 0 HB3 TYR A 117 -2.444 -10.891 1.534 1.00 0.00 H new ATOM 0 HD1 TYR A 117 -0.469 -7.662 1.573 1.00 0.00 H new ATOM 0 HD2 TYR A 117 -4.108 -9.664 2.497 1.00 0.00 H new ATOM 0 HE1 TYR A 117 -1.514 -5.515 2.106 1.00 0.00 H new ATOM 0 HE2 TYR A 117 -5.134 -7.536 3.157 1.00 0.00 H new ATOM 0 HH TYR A 117 -3.925 -4.515 2.330 1.00 0.00 H new ATOM 1774 N PRO A 118 -0.629 -13.155 1.926 1.00 0.00 N ATOM 1775 CA PRO A 118 -0.331 -14.467 1.362 1.00 0.00 C ATOM 1776 C PRO A 118 -0.805 -14.471 -0.106 1.00 0.00 C ATOM 1777 O PRO A 118 -1.888 -13.987 -0.410 1.00 0.00 O ATOM 1778 CB PRO A 118 -1.123 -15.485 2.204 1.00 0.00 C ATOM 1779 CG PRO A 118 -2.019 -14.674 3.143 1.00 0.00 C ATOM 1780 CD PRO A 118 -1.589 -13.209 3.032 1.00 0.00 C ATOM 0 HA PRO A 118 0.731 -14.711 1.381 1.00 0.00 H new ATOM 0 HB2 PRO A 118 -1.720 -16.135 1.565 1.00 0.00 H new ATOM 0 HB3 PRO A 118 -0.449 -16.127 2.771 1.00 0.00 H new ATOM 0 HG2 PRO A 118 -3.067 -14.788 2.867 1.00 0.00 H new ATOM 0 HG3 PRO A 118 -1.919 -15.027 4.169 1.00 0.00 H new ATOM 0 HD2 PRO A 118 -2.446 -12.564 2.837 1.00 0.00 H new ATOM 0 HD3 PRO A 118 -1.135 -12.864 3.961 1.00 0.00 H new ATOM 1788 N PRO A 119 0.050 -15.038 -1.015 1.00 0.00 N ATOM 1789 CA PRO A 119 -0.282 -15.125 -2.430 1.00 0.00 C ATOM 1790 C PRO A 119 -1.268 -16.302 -2.525 1.00 0.00 C ATOM 1791 O PRO A 119 -0.924 -17.464 -2.347 1.00 0.00 O ATOM 1792 CB PRO A 119 1.061 -15.419 -3.119 1.00 0.00 C ATOM 1793 CG PRO A 119 1.916 -16.095 -2.043 1.00 0.00 C ATOM 1794 CD PRO A 119 1.388 -15.552 -0.712 1.00 0.00 C ATOM 0 HA PRO A 119 -0.735 -14.244 -2.884 1.00 0.00 H new ATOM 0 HB2 PRO A 119 0.927 -16.069 -3.984 1.00 0.00 H new ATOM 0 HB3 PRO A 119 1.530 -14.503 -3.478 1.00 0.00 H new ATOM 0 HG2 PRO A 119 1.823 -17.180 -2.090 1.00 0.00 H new ATOM 0 HG3 PRO A 119 2.972 -15.859 -2.173 1.00 0.00 H new ATOM 0 HD2 PRO A 119 1.348 -16.335 0.045 1.00 0.00 H new ATOM 0 HD3 PRO A 119 2.034 -14.765 -0.323 1.00 0.00 H new ATOM 1802 N GLY A 120 -2.511 -15.885 -2.826 1.00 0.00 N ATOM 1803 CA GLY A 120 -3.662 -16.761 -2.970 1.00 0.00 C ATOM 1804 C GLY A 120 -4.855 -16.069 -2.306 1.00 0.00 C ATOM 1805 O GLY A 120 -5.456 -15.151 -2.848 1.00 0.00 O ATOM 0 H GLY A 120 -2.737 -14.902 -2.977 1.00 0.00 H new ATOM 0 HA2 GLY A 120 -3.868 -16.953 -4.023 1.00 0.00 H new ATOM 0 HA3 GLY A 120 -3.470 -17.726 -2.502 1.00 0.00 H new ATOM 1809 N THR A 121 -5.166 -16.584 -1.103 1.00 0.00 N ATOM 1810 CA THR A 121 -6.230 -16.067 -0.283 1.00 0.00 C ATOM 1811 C THR A 121 -5.584 -14.997 0.596 1.00 0.00 C ATOM 1812 O THR A 121 -4.366 -14.900 0.695 1.00 0.00 O ATOM 1813 CB THR A 121 -6.702 -17.217 0.656 1.00 0.00 C ATOM 1814 OG1 THR A 121 -5.953 -17.458 1.895 1.00 0.00 O ATOM 1815 CG2 THR A 121 -6.965 -18.530 -0.125 1.00 0.00 C ATOM 0 H THR A 121 -4.673 -17.374 -0.687 1.00 0.00 H new ATOM 0 HA THR A 121 -7.062 -15.682 -0.872 1.00 0.00 H new ATOM 0 HB THR A 121 -7.641 -16.819 1.039 1.00 0.00 H new ATOM 0 HG1 THR A 121 -6.360 -18.204 2.383 1.00 0.00 H new ATOM 0 HG21 THR A 121 -7.292 -19.306 0.567 1.00 0.00 H new ATOM 0 HG22 THR A 121 -7.740 -18.360 -0.872 1.00 0.00 H new ATOM 0 HG23 THR A 121 -6.048 -18.849 -0.620 1.00 0.00 H new ATOM 1823 N SER A 122 -6.484 -14.225 1.239 1.00 0.00 N ATOM 1824 CA SER A 122 -6.059 -13.226 2.197 1.00 0.00 C ATOM 1825 C SER A 122 -7.335 -12.762 2.922 1.00 0.00 C ATOM 1826 O SER A 122 -7.792 -11.646 2.723 1.00 0.00 O ATOM 1827 CB SER A 122 -5.196 -12.062 1.631 1.00 0.00 C ATOM 1828 OG SER A 122 -5.792 -10.946 0.857 1.00 0.00 O ATOM 0 H SER A 122 -7.493 -14.285 1.104 1.00 0.00 H new ATOM 0 HA SER A 122 -5.349 -13.676 2.891 1.00 0.00 H new ATOM 0 HB2 SER A 122 -4.677 -11.615 2.479 1.00 0.00 H new ATOM 0 HB3 SER A 122 -4.436 -12.515 0.995 1.00 0.00 H new ATOM 0 HG SER A 122 -6.694 -10.760 1.192 1.00 0.00 H new ATOM 1834 N PRO A 123 -7.904 -13.666 3.780 1.00 0.00 N ATOM 1835 CA PRO A 123 -9.124 -13.393 4.540 1.00 0.00 C ATOM 1836 C PRO A 123 -8.793 -12.463 5.729 1.00 0.00 C ATOM 1837 O PRO A 123 -8.974 -11.251 5.675 1.00 0.00 O ATOM 1838 CB PRO A 123 -9.630 -14.791 4.955 1.00 0.00 C ATOM 1839 CG PRO A 123 -8.383 -15.684 4.961 1.00 0.00 C ATOM 1840 CD PRO A 123 -7.462 -15.061 3.919 1.00 0.00 C ATOM 0 HA PRO A 123 -9.898 -12.866 3.982 1.00 0.00 H new ATOM 0 HB2 PRO A 123 -10.100 -14.764 5.938 1.00 0.00 H new ATOM 0 HB3 PRO A 123 -10.378 -15.163 4.255 1.00 0.00 H new ATOM 0 HG2 PRO A 123 -7.914 -15.703 5.945 1.00 0.00 H new ATOM 0 HG3 PRO A 123 -8.631 -16.714 4.706 1.00 0.00 H new ATOM 0 HD2 PRO A 123 -6.421 -15.112 4.237 1.00 0.00 H new ATOM 0 HD3 PRO A 123 -7.532 -15.590 2.969 1.00 0.00 H new ATOM 1848 N GLU A 124 -8.340 -13.132 6.815 1.00 0.00 N ATOM 1849 CA GLU A 124 -7.971 -12.567 8.103 1.00 0.00 C ATOM 1850 C GLU A 124 -6.872 -11.503 7.935 1.00 0.00 C ATOM 1851 O GLU A 124 -6.675 -10.668 8.809 1.00 0.00 O ATOM 1852 CB GLU A 124 -7.481 -13.713 9.008 1.00 0.00 C ATOM 1853 CG GLU A 124 -7.171 -13.271 10.448 1.00 0.00 C ATOM 1854 CD GLU A 124 -6.815 -14.482 11.327 1.00 0.00 C ATOM 1855 OE1 GLU A 124 -5.639 -14.842 11.386 1.00 0.00 O ATOM 1856 OE2 GLU A 124 -7.715 -15.050 11.944 1.00 0.00 O ATOM 0 H GLU A 124 -8.220 -14.145 6.798 1.00 0.00 H new ATOM 0 HA GLU A 124 -8.834 -12.078 8.555 1.00 0.00 H new ATOM 0 HB2 GLU A 124 -8.240 -14.495 9.032 1.00 0.00 H new ATOM 0 HB3 GLU A 124 -6.584 -14.152 8.571 1.00 0.00 H new ATOM 0 HG2 GLU A 124 -6.343 -12.562 10.445 1.00 0.00 H new ATOM 0 HG3 GLU A 124 -8.033 -12.752 10.868 1.00 0.00 H new ATOM 1863 N THR A 125 -6.177 -11.567 6.782 1.00 0.00 N ATOM 1864 CA THR A 125 -5.087 -10.665 6.495 1.00 0.00 C ATOM 1865 C THR A 125 -5.635 -9.262 6.231 1.00 0.00 C ATOM 1866 O THR A 125 -4.902 -8.301 6.428 1.00 0.00 O ATOM 1867 CB THR A 125 -4.302 -11.229 5.270 1.00 0.00 C ATOM 1868 OG1 THR A 125 -4.288 -12.680 5.059 1.00 0.00 O ATOM 1869 CG2 THR A 125 -2.903 -10.568 5.177 1.00 0.00 C ATOM 0 H THR A 125 -6.366 -12.244 6.043 1.00 0.00 H new ATOM 0 HA THR A 125 -4.406 -10.588 7.342 1.00 0.00 H new ATOM 0 HB THR A 125 -4.906 -10.931 4.412 1.00 0.00 H new ATOM 0 HG1 THR A 125 -3.364 -13.005 5.083 1.00 0.00 H new ATOM 0 HG21 THR A 125 -2.367 -10.971 4.318 1.00 0.00 H new ATOM 0 HG22 THR A 125 -3.017 -9.490 5.061 1.00 0.00 H new ATOM 0 HG23 THR A 125 -2.340 -10.777 6.087 1.00 0.00 H new ATOM 1877 N THR A 126 -6.912 -9.148 5.781 1.00 0.00 N ATOM 1878 CA THR A 126 -7.416 -7.812 5.535 1.00 0.00 C ATOM 1879 C THR A 126 -7.975 -7.235 6.821 1.00 0.00 C ATOM 1880 O THR A 126 -8.079 -6.021 6.985 1.00 0.00 O ATOM 1881 CB THR A 126 -8.517 -7.629 4.494 1.00 0.00 C ATOM 1882 OG1 THR A 126 -9.921 -7.636 4.922 1.00 0.00 O ATOM 1883 CG2 THR A 126 -8.252 -8.459 3.227 1.00 0.00 C ATOM 0 H THR A 126 -7.556 -9.917 5.598 1.00 0.00 H new ATOM 0 HA THR A 126 -6.534 -7.311 5.136 1.00 0.00 H new ATOM 0 HB THR A 126 -8.417 -6.570 4.255 1.00 0.00 H new ATOM 0 HG1 THR A 126 -10.501 -7.506 4.143 1.00 0.00 H new ATOM 0 HG21 THR A 126 -9.059 -8.300 2.512 1.00 0.00 H new ATOM 0 HG22 THR A 126 -7.306 -8.151 2.781 1.00 0.00 H new ATOM 0 HG23 THR A 126 -8.202 -9.516 3.488 1.00 0.00 H new ATOM 1891 N ILE A 127 -8.348 -8.166 7.724 1.00 0.00 N ATOM 1892 CA ILE A 127 -8.782 -7.700 9.028 1.00 0.00 C ATOM 1893 C ILE A 127 -7.492 -7.099 9.643 1.00 0.00 C ATOM 1894 O ILE A 127 -7.535 -6.193 10.464 1.00 0.00 O ATOM 1895 CB ILE A 127 -9.360 -8.879 9.870 1.00 0.00 C ATOM 1896 CG1 ILE A 127 -10.264 -9.868 9.116 1.00 0.00 C ATOM 1897 CG2 ILE A 127 -9.423 -8.469 11.379 1.00 0.00 C ATOM 1898 CD1 ILE A 127 -10.881 -10.979 9.988 1.00 0.00 C ATOM 0 H ILE A 127 -8.355 -9.175 7.578 1.00 0.00 H new ATOM 0 HA ILE A 127 -9.589 -6.969 8.988 1.00 0.00 H new ATOM 0 HB ILE A 127 -8.749 -9.768 10.027 1.00 0.00 H new ATOM 0 HG12 ILE A 127 -11.070 -9.310 8.640 1.00 0.00 H new ATOM 0 HG13 ILE A 127 -9.684 -10.332 8.319 1.00 0.00 H new ATOM 0 HG21 ILE A 127 -9.827 -9.295 11.964 1.00 0.00 H new ATOM 0 HG22 ILE A 127 -8.420 -8.230 11.733 1.00 0.00 H new ATOM 0 HG23 ILE A 127 -10.065 -7.596 11.492 1.00 0.00 H new ATOM 0 HD11 ILE A 127 -11.502 -11.626 9.368 1.00 0.00 H new ATOM 0 HD12 ILE A 127 -10.085 -11.568 10.444 1.00 0.00 H new ATOM 0 HD13 ILE A 127 -11.493 -10.530 10.770 1.00 0.00 H new ATOM 1910 N ALA A 128 -6.352 -7.652 9.138 1.00 0.00 N ATOM 1911 CA ALA A 128 -5.036 -7.239 9.531 1.00 0.00 C ATOM 1912 C ALA A 128 -4.577 -6.091 8.616 1.00 0.00 C ATOM 1913 O ALA A 128 -3.532 -5.517 8.882 1.00 0.00 O ATOM 1914 CB ALA A 128 -4.052 -8.419 9.548 1.00 0.00 C ATOM 0 H ALA A 128 -6.356 -8.400 8.444 1.00 0.00 H new ATOM 0 HA ALA A 128 -5.061 -6.869 10.556 1.00 0.00 H new ATOM 0 HB1 ALA A 128 -3.066 -8.066 9.850 1.00 0.00 H new ATOM 0 HB2 ALA A 128 -4.400 -9.173 10.254 1.00 0.00 H new ATOM 0 HB3 ALA A 128 -3.991 -8.856 8.551 1.00 0.00 H new ATOM 1920 N ASP A 129 -5.361 -5.750 7.554 1.00 0.00 N ATOM 1921 CA ASP A 129 -5.005 -4.661 6.645 1.00 0.00 C ATOM 1922 C ASP A 129 -4.777 -3.405 7.502 1.00 0.00 C ATOM 1923 O ASP A 129 -3.681 -2.874 7.620 1.00 0.00 O ATOM 1924 CB ASP A 129 -6.107 -4.400 5.580 1.00 0.00 C ATOM 1925 CG ASP A 129 -5.706 -3.401 4.482 1.00 0.00 C ATOM 1926 OD1 ASP A 129 -4.671 -2.751 4.607 1.00 0.00 O ATOM 1927 OD2 ASP A 129 -6.437 -3.302 3.498 1.00 0.00 O ATOM 0 H ASP A 129 -6.236 -6.221 7.321 1.00 0.00 H new ATOM 0 HA ASP A 129 -4.105 -4.930 6.092 1.00 0.00 H new ATOM 0 HB2 ASP A 129 -6.374 -5.347 5.112 1.00 0.00 H new ATOM 0 HB3 ASP A 129 -7.000 -4.029 6.083 1.00 0.00 H new ATOM 1932 N MET A 130 -5.914 -2.994 8.076 1.00 0.00 N ATOM 1933 CA MET A 130 -5.977 -1.792 8.890 1.00 0.00 C ATOM 1934 C MET A 130 -5.704 -2.091 10.364 1.00 0.00 C ATOM 1935 O MET A 130 -5.623 -1.145 11.132 1.00 0.00 O ATOM 1936 CB MET A 130 -7.342 -1.129 8.672 1.00 0.00 C ATOM 1937 CG MET A 130 -7.384 -0.438 7.311 1.00 0.00 C ATOM 1938 SD MET A 130 -9.063 -0.340 6.690 1.00 0.00 S ATOM 1939 CE MET A 130 -8.917 -1.398 5.244 1.00 0.00 C ATOM 0 H MET A 130 -6.803 -3.485 7.986 1.00 0.00 H new ATOM 0 HA MET A 130 -5.193 -1.100 8.583 1.00 0.00 H new ATOM 0 HB2 MET A 130 -8.131 -1.878 8.732 1.00 0.00 H new ATOM 0 HB3 MET A 130 -7.532 -0.403 9.462 1.00 0.00 H new ATOM 0 HG2 MET A 130 -6.965 0.565 7.395 1.00 0.00 H new ATOM 0 HG3 MET A 130 -6.762 -0.985 6.602 1.00 0.00 H new ATOM 0 HE1 MET A 130 -9.451 -0.947 4.408 1.00 0.00 H new ATOM 0 HE2 MET A 130 -7.865 -1.514 4.983 1.00 0.00 H new ATOM 0 HE3 MET A 130 -9.346 -2.376 5.464 1.00 0.00 H new ATOM 1949 N LYS A 131 -5.570 -3.372 10.774 1.00 0.00 N ATOM 1950 CA LYS A 131 -5.323 -3.596 12.198 1.00 0.00 C ATOM 1951 C LYS A 131 -3.805 -3.592 12.413 1.00 0.00 C ATOM 1952 O LYS A 131 -3.310 -2.955 13.329 1.00 0.00 O ATOM 1953 CB LYS A 131 -5.994 -4.889 12.679 1.00 0.00 C ATOM 1954 CG LYS A 131 -5.803 -5.181 14.174 1.00 0.00 C ATOM 1955 CD LYS A 131 -6.615 -6.399 14.638 1.00 0.00 C ATOM 1956 CE LYS A 131 -6.188 -7.708 13.962 1.00 0.00 C ATOM 1957 NZ LYS A 131 -6.944 -8.856 14.448 1.00 0.00 N ATOM 0 H LYS A 131 -5.624 -4.203 10.185 1.00 0.00 H new ATOM 0 HA LYS A 131 -5.767 -2.802 12.799 1.00 0.00 H new ATOM 0 HB2 LYS A 131 -7.061 -4.832 12.465 1.00 0.00 H new ATOM 0 HB3 LYS A 131 -5.598 -5.726 12.104 1.00 0.00 H new ATOM 0 HG2 LYS A 131 -4.746 -5.353 14.376 1.00 0.00 H new ATOM 0 HG3 LYS A 131 -6.100 -4.307 14.754 1.00 0.00 H new ATOM 0 HD2 LYS A 131 -6.512 -6.506 15.718 1.00 0.00 H new ATOM 0 HD3 LYS A 131 -7.671 -6.221 14.435 1.00 0.00 H new ATOM 0 HE2 LYS A 131 -6.322 -7.618 12.884 1.00 0.00 H new ATOM 0 HE3 LYS A 131 -5.125 -7.875 14.138 1.00 0.00 H new ATOM 0 HZ1 LYS A 131 -6.620 -9.716 13.962 1.00 0.00 H new ATOM 0 HZ2 LYS A 131 -6.796 -8.960 15.472 1.00 0.00 H new ATOM 0 HZ3 LYS A 131 -7.956 -8.711 14.257 1.00 0.00 H new ATOM 1970 N GLU A 132 -3.089 -4.308 11.518 1.00 0.00 N ATOM 1971 CA GLU A 132 -1.637 -4.425 11.609 1.00 0.00 C ATOM 1972 C GLU A 132 -1.016 -3.027 11.558 1.00 0.00 C ATOM 1973 O GLU A 132 -0.140 -2.681 12.340 1.00 0.00 O ATOM 1974 CB GLU A 132 -1.084 -5.340 10.500 1.00 0.00 C ATOM 1975 CG GLU A 132 0.412 -5.658 10.672 1.00 0.00 C ATOM 1976 CD GLU A 132 0.954 -6.596 9.573 1.00 0.00 C ATOM 1977 OE1 GLU A 132 0.190 -7.393 9.030 1.00 0.00 O ATOM 1978 OE2 GLU A 132 2.146 -6.520 9.276 1.00 0.00 O ATOM 0 H GLU A 132 -3.502 -4.808 10.731 1.00 0.00 H new ATOM 0 HA GLU A 132 -1.369 -4.890 12.558 1.00 0.00 H new ATOM 0 HB2 GLU A 132 -1.649 -6.272 10.490 1.00 0.00 H new ATOM 0 HB3 GLU A 132 -1.239 -4.863 9.532 1.00 0.00 H new ATOM 0 HG2 GLU A 132 0.980 -4.728 10.662 1.00 0.00 H new ATOM 0 HG3 GLU A 132 0.571 -6.118 11.647 1.00 0.00 H new ATOM 1985 N VAL A 133 -1.538 -2.260 10.593 1.00 0.00 N ATOM 1986 CA VAL A 133 -1.061 -0.900 10.375 1.00 0.00 C ATOM 1987 C VAL A 133 -1.714 0.111 11.344 1.00 0.00 C ATOM 1988 O VAL A 133 -1.065 0.633 12.243 1.00 0.00 O ATOM 1989 CB VAL A 133 -1.252 -0.525 8.863 1.00 0.00 C ATOM 1990 CG1 VAL A 133 -0.866 0.971 8.646 1.00 0.00 C ATOM 1991 CG2 VAL A 133 -1.088 -1.507 7.680 1.00 0.00 C ATOM 0 H VAL A 133 -2.281 -2.558 9.961 1.00 0.00 H new ATOM 0 HA VAL A 133 0.004 -0.851 10.603 1.00 0.00 H new ATOM 0 HB VAL A 133 -2.317 -0.715 8.730 1.00 0.00 H new ATOM 0 HG11 VAL A 133 -0.998 1.232 7.596 1.00 0.00 H new ATOM 0 HG12 VAL A 133 -1.505 1.605 9.261 1.00 0.00 H new ATOM 0 HG13 VAL A 133 0.176 1.123 8.929 1.00 0.00 H new ATOM 0 HG21 VAL A 133 -1.278 -0.983 6.743 1.00 0.00 H new ATOM 0 HG22 VAL A 133 -0.073 -1.904 7.674 1.00 0.00 H new ATOM 0 HG23 VAL A 133 -1.798 -2.328 7.787 1.00 0.00 H new ATOM 2001 N LEU A 134 -3.017 0.359 11.089 1.00 0.00 N ATOM 2002 CA LEU A 134 -3.794 1.329 11.848 1.00 0.00 C ATOM 2003 C LEU A 134 -4.452 0.634 13.051 1.00 0.00 C ATOM 2004 O LEU A 134 -5.663 0.702 13.226 1.00 0.00 O ATOM 2005 CB LEU A 134 -4.820 1.992 10.903 1.00 0.00 C ATOM 2006 CG LEU A 134 -4.185 2.987 9.873 1.00 0.00 C ATOM 2007 CD1 LEU A 134 -5.235 3.291 8.759 1.00 0.00 C ATOM 2008 CD2 LEU A 134 -3.032 3.963 10.212 1.00 0.00 C ATOM 0 H LEU A 134 -3.545 -0.111 10.354 1.00 0.00 H new ATOM 0 HA LEU A 134 -3.155 2.116 12.249 1.00 0.00 H new ATOM 0 HB2 LEU A 134 -5.354 1.213 10.359 1.00 0.00 H new ATOM 0 HB3 LEU A 134 -5.558 2.526 11.501 1.00 0.00 H new ATOM 0 HG LEU A 134 -3.313 2.490 9.448 1.00 0.00 H new ATOM 0 HD11 LEU A 134 -4.806 3.983 8.034 1.00 0.00 H new ATOM 0 HD12 LEU A 134 -5.511 2.364 8.256 1.00 0.00 H new ATOM 0 HD13 LEU A 134 -6.122 3.739 9.207 1.00 0.00 H new ATOM 0 HD21 LEU A 134 -2.774 4.543 9.326 1.00 0.00 H new ATOM 0 HD22 LEU A 134 -3.348 4.637 11.008 1.00 0.00 H new ATOM 0 HD23 LEU A 134 -2.161 3.397 10.541 1.00 0.00 H new ATOM 2020 N GLY A 135 -3.606 -0.013 13.880 1.00 0.00 N ATOM 2021 CA GLY A 135 -4.125 -0.661 15.078 1.00 0.00 C ATOM 2022 C GLY A 135 -3.003 -0.898 16.093 1.00 0.00 C ATOM 2023 O GLY A 135 -2.938 -0.260 17.136 1.00 0.00 O ATOM 0 H GLY A 135 -2.599 -0.094 13.741 1.00 0.00 H new ATOM 0 HA2 GLY A 135 -4.902 -0.041 15.525 1.00 0.00 H new ATOM 0 HA3 GLY A 135 -4.589 -1.611 14.812 1.00 0.00 H new