USER MOD reduce.3.24.130724 H: found=0, std=0, add=515, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 518 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 102 HIS : no HE2:sc= -4.23! C(o=-4.6!,f=-14!) USER MOD Set 1.2: A 105 ASN : amide:sc= -0.392 K(o=-4.6,f=-15!) USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 84 HIS : no HD1:sc= -0.0114 X(o=-0.011,f=0) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 THR OG1 : rot 180:sc= 0.0897 USER MOD Single : A 90 TYR OH : rot 180:sc= 0 USER MOD Single : A 91 HIS : no HD1:sc= -0.0553 X(o=-0.055,f=0) USER MOD Single : A 95 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 107 HIS : no HD1:sc= 1.11 K(o=1.1,f=-4!) USER MOD Single : A 108 LYS NZ :NH3+ 176:sc= 1.17 (180deg=1.13) USER MOD Single : A 109 TYR OH : rot 180:sc= 0 USER MOD Single : A 113 SER OG : rot 1:sc= 1.1 USER MOD Single : A 114 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 115 SER OG : rot 171:sc= 0.00485 USER MOD Single : A 117 SER OG : rot 180:sc= 0 USER MOD Single : A 120 TYR OH : rot 30:sc= -0.84 USER MOD Single : A 122 THR OG1 : rot 180:sc= 0 USER MOD Single : A 124 MET CE :methyl 153:sc= -1.23 (180deg=-3.53!) USER MOD Single : A 127 SER OG : rot 180:sc= 0 USER MOD Single : A 130 THR OG1 : rot -3:sc= 0.708 USER MOD Single : A 131 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 136 SER OG : rot 180:sc= 0 USER MOD Single : A 138 ASN : amide:sc= -0.448 K(o=-0.45,f=-4!) USER MOD Single : A 143 ASN : amide:sc= 0 K(o=0,f=-0.59) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 75 10.528 8.385 5.703 1.00 0.00 N ATOM 2 CA GLY A 75 11.751 7.904 5.043 1.00 0.00 C ATOM 3 C GLY A 75 11.846 8.417 3.631 1.00 0.00 C ATOM 4 O GLY A 75 10.944 9.125 3.175 1.00 0.00 O ATOM 0 HA2 GLY A 75 12.624 8.227 5.610 1.00 0.00 H new ATOM 0 HA3 GLY A 75 11.760 6.814 5.038 1.00 0.00 H new ATOM 10 N PRO A 76 12.931 8.087 2.905 1.00 0.00 N ATOM 11 CA PRO A 76 13.109 8.518 1.513 1.00 0.00 C ATOM 12 C PRO A 76 12.015 7.966 0.610 1.00 0.00 C ATOM 13 O PRO A 76 11.606 8.605 -0.367 1.00 0.00 O ATOM 14 CB PRO A 76 14.478 7.938 1.122 1.00 0.00 C ATOM 15 CG PRO A 76 14.728 6.846 2.106 1.00 0.00 C ATOM 16 CD PRO A 76 14.067 7.282 3.381 1.00 0.00 C ATOM 0 HA PRO A 76 13.056 9.602 1.407 1.00 0.00 H new ATOM 0 HB2 PRO A 76 14.468 7.555 0.101 1.00 0.00 H new ATOM 0 HB3 PRO A 76 15.257 8.699 1.170 1.00 0.00 H new ATOM 0 HG2 PRO A 76 14.314 5.901 1.755 1.00 0.00 H new ATOM 0 HG3 PRO A 76 15.797 6.690 2.253 1.00 0.00 H new ATOM 0 HD2 PRO A 76 13.737 6.431 3.976 1.00 0.00 H new ATOM 0 HD3 PRO A 76 14.742 7.866 4.006 1.00 0.00 H new ATOM 24 N LEU A 77 11.532 6.795 0.955 1.00 0.00 N ATOM 25 CA LEU A 77 10.484 6.148 0.200 1.00 0.00 C ATOM 26 C LEU A 77 9.123 6.488 0.782 1.00 0.00 C ATOM 27 O LEU A 77 9.023 7.050 1.876 1.00 0.00 O ATOM 28 CB LEU A 77 10.686 4.631 0.180 1.00 0.00 C ATOM 29 CG LEU A 77 11.952 4.141 -0.525 1.00 0.00 C ATOM 30 CD1 LEU A 77 12.100 2.640 -0.364 1.00 0.00 C ATOM 31 CD2 LEU A 77 11.918 4.517 -2.000 1.00 0.00 C ATOM 0 H LEU A 77 11.854 6.265 1.765 1.00 0.00 H new ATOM 0 HA LEU A 77 10.528 6.515 -0.825 1.00 0.00 H new ATOM 0 HB2 LEU A 77 10.703 4.271 1.209 1.00 0.00 H new ATOM 0 HB3 LEU A 77 9.823 4.174 -0.304 1.00 0.00 H new ATOM 0 HG LEU A 77 12.814 4.625 -0.065 1.00 0.00 H new ATOM 0 HD11 LEU A 77 13.006 2.307 -0.871 1.00 0.00 H new ATOM 0 HD12 LEU A 77 12.166 2.392 0.695 1.00 0.00 H new ATOM 0 HD13 LEU A 77 11.235 2.140 -0.800 1.00 0.00 H new ATOM 0 HD21 LEU A 77 12.826 4.161 -2.487 1.00 0.00 H new ATOM 0 HD22 LEU A 77 11.049 4.059 -2.472 1.00 0.00 H new ATOM 0 HD23 LEU A 77 11.855 5.601 -2.098 1.00 0.00 H new ATOM 43 N GLY A 78 8.092 6.149 0.052 1.00 0.00 N ATOM 44 CA GLY A 78 6.742 6.427 0.483 1.00 0.00 C ATOM 45 C GLY A 78 5.803 6.437 -0.687 1.00 0.00 C ATOM 46 O GLY A 78 4.626 6.114 -0.560 1.00 0.00 O ATOM 0 H GLY A 78 8.160 5.677 -0.850 1.00 0.00 H new ATOM 0 HA2 GLY A 78 6.423 5.675 1.205 1.00 0.00 H new ATOM 0 HA3 GLY A 78 6.708 7.391 0.991 1.00 0.00 H new ATOM 50 N SER A 79 6.339 6.803 -1.841 1.00 0.00 N ATOM 51 CA SER A 79 5.574 6.819 -3.068 1.00 0.00 C ATOM 52 C SER A 79 5.383 5.391 -3.565 1.00 0.00 C ATOM 53 O SER A 79 4.389 5.068 -4.235 1.00 0.00 O ATOM 54 CB SER A 79 6.298 7.656 -4.118 1.00 0.00 C ATOM 55 OG SER A 79 6.453 8.999 -3.681 1.00 0.00 O ATOM 0 H SER A 79 7.310 7.095 -1.948 1.00 0.00 H new ATOM 0 HA SER A 79 4.596 7.264 -2.883 1.00 0.00 H new ATOM 0 HB2 SER A 79 7.276 7.221 -4.323 1.00 0.00 H new ATOM 0 HB3 SER A 79 5.738 7.636 -5.053 1.00 0.00 H new ATOM 0 HG SER A 79 6.921 9.515 -4.370 1.00 0.00 H new ATOM 61 N ASP A 80 6.348 4.542 -3.223 1.00 0.00 N ATOM 62 CA ASP A 80 6.328 3.140 -3.581 1.00 0.00 C ATOM 63 C ASP A 80 7.030 2.318 -2.508 1.00 0.00 C ATOM 64 O ASP A 80 8.128 2.654 -2.062 1.00 0.00 O ATOM 65 CB ASP A 80 6.980 2.889 -4.959 1.00 0.00 C ATOM 66 CG ASP A 80 8.459 3.230 -5.007 1.00 0.00 C ATOM 67 OD1 ASP A 80 8.798 4.423 -5.197 1.00 0.00 O ATOM 68 OD2 ASP A 80 9.287 2.307 -4.890 1.00 0.00 O ATOM 0 H ASP A 80 7.170 4.817 -2.685 1.00 0.00 H new ATOM 0 HA ASP A 80 5.285 2.830 -3.651 1.00 0.00 H new ATOM 0 HB2 ASP A 80 6.849 1.841 -5.227 1.00 0.00 H new ATOM 0 HB3 ASP A 80 6.456 3.478 -5.712 1.00 0.00 H new ATOM 73 N LEU A 81 6.363 1.291 -2.065 1.00 0.00 N ATOM 74 CA LEU A 81 6.922 0.394 -1.066 1.00 0.00 C ATOM 75 C LEU A 81 6.857 -1.044 -1.523 1.00 0.00 C ATOM 76 O LEU A 81 5.848 -1.483 -2.058 1.00 0.00 O ATOM 77 CB LEU A 81 6.203 0.542 0.279 1.00 0.00 C ATOM 78 CG LEU A 81 6.770 -0.309 1.425 1.00 0.00 C ATOM 79 CD1 LEU A 81 8.178 0.141 1.789 1.00 0.00 C ATOM 80 CD2 LEU A 81 5.858 -0.262 2.643 1.00 0.00 C ATOM 0 H LEU A 81 5.424 1.044 -2.376 1.00 0.00 H new ATOM 0 HA LEU A 81 7.968 0.672 -0.936 1.00 0.00 H new ATOM 0 HB2 LEU A 81 6.236 1.590 0.576 1.00 0.00 H new ATOM 0 HB3 LEU A 81 5.153 0.283 0.141 1.00 0.00 H new ATOM 0 HG LEU A 81 6.821 -1.342 1.081 1.00 0.00 H new ATOM 0 HD11 LEU A 81 8.558 -0.476 2.603 1.00 0.00 H new ATOM 0 HD12 LEU A 81 8.829 0.038 0.921 1.00 0.00 H new ATOM 0 HD13 LEU A 81 8.156 1.184 2.105 1.00 0.00 H new ATOM 0 HD21 LEU A 81 6.283 -0.873 3.439 1.00 0.00 H new ATOM 0 HD22 LEU A 81 5.763 0.768 2.987 1.00 0.00 H new ATOM 0 HD23 LEU A 81 4.874 -0.647 2.376 1.00 0.00 H new ATOM 92 N ILE A 82 7.934 -1.774 -1.327 1.00 0.00 N ATOM 93 CA ILE A 82 7.945 -3.174 -1.648 1.00 0.00 C ATOM 94 C ILE A 82 7.614 -3.953 -0.390 1.00 0.00 C ATOM 95 O ILE A 82 8.016 -3.563 0.713 1.00 0.00 O ATOM 96 CB ILE A 82 9.315 -3.641 -2.187 1.00 0.00 C ATOM 97 CG1 ILE A 82 9.823 -2.691 -3.260 1.00 0.00 C ATOM 98 CG2 ILE A 82 9.197 -5.041 -2.759 1.00 0.00 C ATOM 99 CD1 ILE A 82 11.175 -3.075 -3.813 1.00 0.00 C ATOM 0 H ILE A 82 8.810 -1.416 -0.947 1.00 0.00 H new ATOM 0 HA ILE A 82 7.209 -3.351 -2.432 1.00 0.00 H new ATOM 0 HB ILE A 82 10.025 -3.646 -1.360 1.00 0.00 H new ATOM 0 HG12 ILE A 82 9.101 -2.658 -4.076 1.00 0.00 H new ATOM 0 HG13 ILE A 82 9.881 -1.685 -2.845 1.00 0.00 H new ATOM 0 HG21 ILE A 82 10.167 -5.363 -3.137 1.00 0.00 H new ATOM 0 HG22 ILE A 82 8.866 -5.726 -1.979 1.00 0.00 H new ATOM 0 HG23 ILE A 82 8.472 -5.041 -3.573 1.00 0.00 H new ATOM 0 HD11 ILE A 82 11.475 -2.354 -4.573 1.00 0.00 H new ATOM 0 HD12 ILE A 82 11.909 -3.080 -3.008 1.00 0.00 H new ATOM 0 HD13 ILE A 82 11.117 -4.068 -4.258 1.00 0.00 H new ATOM 111 N VAL A 83 6.905 -5.038 -0.542 1.00 0.00 N ATOM 112 CA VAL A 83 6.477 -5.833 0.586 1.00 0.00 C ATOM 113 C VAL A 83 6.793 -7.297 0.339 1.00 0.00 C ATOM 114 O VAL A 83 7.239 -7.665 -0.747 1.00 0.00 O ATOM 115 CB VAL A 83 4.965 -5.673 0.840 1.00 0.00 C ATOM 116 CG1 VAL A 83 4.640 -4.261 1.309 1.00 0.00 C ATOM 117 CG2 VAL A 83 4.188 -6.007 -0.417 1.00 0.00 C ATOM 0 H VAL A 83 6.606 -5.399 -1.448 1.00 0.00 H new ATOM 0 HA VAL A 83 7.016 -5.482 1.466 1.00 0.00 H new ATOM 0 HB VAL A 83 4.672 -6.366 1.629 1.00 0.00 H new ATOM 0 HG11 VAL A 83 3.567 -4.173 1.482 1.00 0.00 H new ATOM 0 HG12 VAL A 83 5.175 -4.053 2.236 1.00 0.00 H new ATOM 0 HG13 VAL A 83 4.945 -3.545 0.546 1.00 0.00 H new ATOM 0 HG21 VAL A 83 3.121 -5.891 -0.227 1.00 0.00 H new ATOM 0 HG22 VAL A 83 4.489 -5.334 -1.220 1.00 0.00 H new ATOM 0 HG23 VAL A 83 4.394 -7.037 -0.710 1.00 0.00 H new ATOM 127 N HIS A 84 6.564 -8.123 1.335 1.00 0.00 N ATOM 128 CA HIS A 84 6.851 -9.543 1.226 1.00 0.00 C ATOM 129 C HIS A 84 5.604 -10.368 1.474 1.00 0.00 C ATOM 130 O HIS A 84 5.188 -10.548 2.619 1.00 0.00 O ATOM 131 CB HIS A 84 7.956 -9.960 2.210 1.00 0.00 C ATOM 132 CG HIS A 84 9.301 -9.348 1.935 1.00 0.00 C ATOM 133 ND1 HIS A 84 10.409 -10.089 1.589 1.00 0.00 N ATOM 134 CD2 HIS A 84 9.715 -8.056 1.971 1.00 0.00 C ATOM 135 CE1 HIS A 84 11.441 -9.283 1.425 1.00 0.00 C ATOM 136 NE2 HIS A 84 11.046 -8.045 1.650 1.00 0.00 N ATOM 0 H HIS A 84 6.178 -7.838 2.235 1.00 0.00 H new ATOM 0 HA HIS A 84 7.199 -9.730 0.210 1.00 0.00 H new ATOM 0 HB2 HIS A 84 7.647 -9.688 3.219 1.00 0.00 H new ATOM 0 HB3 HIS A 84 8.054 -11.045 2.188 1.00 0.00 H new ATOM 0 HD2 HIS A 84 9.107 -7.196 2.209 1.00 0.00 H new ATOM 0 HE1 HIS A 84 12.441 -9.586 1.152 1.00 0.00 H new ATOM 0 HE2 HIS A 84 11.636 -7.215 1.594 1.00 0.00 H new ATOM 145 N GLU A 85 5.002 -10.855 0.405 1.00 0.00 N ATOM 146 CA GLU A 85 3.818 -11.697 0.514 1.00 0.00 C ATOM 147 C GLU A 85 4.161 -13.112 0.091 1.00 0.00 C ATOM 148 O GLU A 85 4.555 -13.345 -1.054 1.00 0.00 O ATOM 149 CB GLU A 85 2.666 -11.176 -0.359 1.00 0.00 C ATOM 150 CG GLU A 85 2.227 -9.754 -0.061 1.00 0.00 C ATOM 151 CD GLU A 85 1.967 -9.504 1.413 1.00 0.00 C ATOM 152 OE1 GLU A 85 0.978 -10.040 1.949 1.00 0.00 O ATOM 153 OE2 GLU A 85 2.734 -8.746 2.035 1.00 0.00 O ATOM 0 H GLU A 85 5.312 -10.683 -0.552 1.00 0.00 H new ATOM 0 HA GLU A 85 3.492 -11.679 1.554 1.00 0.00 H new ATOM 0 HB2 GLU A 85 2.967 -11.235 -1.405 1.00 0.00 H new ATOM 0 HB3 GLU A 85 1.809 -11.838 -0.236 1.00 0.00 H new ATOM 0 HG2 GLU A 85 2.995 -9.063 -0.410 1.00 0.00 H new ATOM 0 HG3 GLU A 85 1.321 -9.535 -0.625 1.00 0.00 H new ATOM 160 N GLY A 86 4.034 -14.046 1.016 1.00 0.00 N ATOM 161 CA GLY A 86 4.347 -15.429 0.723 1.00 0.00 C ATOM 162 C GLY A 86 5.809 -15.615 0.376 1.00 0.00 C ATOM 163 O GLY A 86 6.164 -16.502 -0.390 1.00 0.00 O ATOM 0 H GLY A 86 3.718 -13.872 1.970 1.00 0.00 H new ATOM 0 HA2 GLY A 86 4.097 -16.048 1.584 1.00 0.00 H new ATOM 0 HA3 GLY A 86 3.730 -15.773 -0.107 1.00 0.00 H new ATOM 167 N GLY A 87 6.651 -14.760 0.935 1.00 0.00 N ATOM 168 CA GLY A 87 8.073 -14.834 0.676 1.00 0.00 C ATOM 169 C GLY A 87 8.488 -14.102 -0.588 1.00 0.00 C ATOM 170 O GLY A 87 9.680 -13.930 -0.844 1.00 0.00 O ATOM 0 H GLY A 87 6.372 -14.011 1.568 1.00 0.00 H new ATOM 0 HA2 GLY A 87 8.613 -14.415 1.525 1.00 0.00 H new ATOM 0 HA3 GLY A 87 8.368 -15.880 0.596 1.00 0.00 H new ATOM 174 N LYS A 88 7.515 -13.670 -1.374 1.00 0.00 N ATOM 175 CA LYS A 88 7.795 -12.968 -2.618 1.00 0.00 C ATOM 176 C LYS A 88 7.635 -11.473 -2.454 1.00 0.00 C ATOM 177 O LYS A 88 6.739 -11.004 -1.749 1.00 0.00 O ATOM 178 CB LYS A 88 6.899 -13.473 -3.752 1.00 0.00 C ATOM 179 CG LYS A 88 7.480 -14.644 -4.535 1.00 0.00 C ATOM 180 CD LYS A 88 7.775 -15.835 -3.644 1.00 0.00 C ATOM 181 CE LYS A 88 8.427 -16.958 -4.429 1.00 0.00 C ATOM 182 NZ LYS A 88 8.635 -18.173 -3.607 1.00 0.00 N ATOM 0 H LYS A 88 6.523 -13.793 -1.173 1.00 0.00 H new ATOM 0 HA LYS A 88 8.833 -13.175 -2.879 1.00 0.00 H new ATOM 0 HB2 LYS A 88 5.937 -13.772 -3.334 1.00 0.00 H new ATOM 0 HB3 LYS A 88 6.706 -12.650 -4.441 1.00 0.00 H new ATOM 0 HG2 LYS A 88 6.780 -14.941 -5.316 1.00 0.00 H new ATOM 0 HG3 LYS A 88 8.397 -14.328 -5.032 1.00 0.00 H new ATOM 0 HD2 LYS A 88 8.431 -15.529 -2.829 1.00 0.00 H new ATOM 0 HD3 LYS A 88 6.850 -16.193 -3.192 1.00 0.00 H new ATOM 0 HE2 LYS A 88 7.805 -17.206 -5.289 1.00 0.00 H new ATOM 0 HE3 LYS A 88 9.386 -16.617 -4.818 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 9.083 -18.912 -4.186 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 9.251 -17.945 -2.800 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 7.718 -18.516 -3.257 1.00 0.00 H new ATOM 196 N THR A 89 8.509 -10.731 -3.089 1.00 0.00 N ATOM 197 CA THR A 89 8.469 -9.293 -3.031 1.00 0.00 C ATOM 198 C THR A 89 7.478 -8.718 -4.031 1.00 0.00 C ATOM 199 O THR A 89 7.575 -8.959 -5.235 1.00 0.00 O ATOM 200 CB THR A 89 9.853 -8.687 -3.293 1.00 0.00 C ATOM 201 OG1 THR A 89 10.743 -9.694 -3.799 1.00 0.00 O ATOM 202 CG2 THR A 89 10.423 -8.077 -2.027 1.00 0.00 C ATOM 0 H THR A 89 9.266 -11.107 -3.659 1.00 0.00 H new ATOM 0 HA THR A 89 8.146 -9.031 -2.023 1.00 0.00 H new ATOM 0 HB THR A 89 9.747 -7.897 -4.036 1.00 0.00 H new ATOM 0 HG1 THR A 89 11.624 -9.298 -3.965 1.00 0.00 H new ATOM 0 HG21 THR A 89 11.405 -7.653 -2.237 1.00 0.00 H new ATOM 0 HG22 THR A 89 9.758 -7.291 -1.670 1.00 0.00 H new ATOM 0 HG23 THR A 89 10.517 -8.848 -1.262 1.00 0.00 H new ATOM 210 N TYR A 90 6.524 -7.965 -3.528 1.00 0.00 N ATOM 211 CA TYR A 90 5.553 -7.300 -4.365 1.00 0.00 C ATOM 212 C TYR A 90 5.673 -5.807 -4.185 1.00 0.00 C ATOM 213 O TYR A 90 5.940 -5.333 -3.086 1.00 0.00 O ATOM 214 CB TYR A 90 4.134 -7.763 -4.033 1.00 0.00 C ATOM 215 CG TYR A 90 3.829 -9.160 -4.511 1.00 0.00 C ATOM 216 CD1 TYR A 90 4.077 -10.265 -3.707 1.00 0.00 C ATOM 217 CD2 TYR A 90 3.301 -9.374 -5.774 1.00 0.00 C ATOM 218 CE1 TYR A 90 3.805 -11.543 -4.151 1.00 0.00 C ATOM 219 CE2 TYR A 90 3.023 -10.645 -6.226 1.00 0.00 C ATOM 220 CZ TYR A 90 3.277 -11.729 -5.412 1.00 0.00 C ATOM 221 OH TYR A 90 3.003 -13.002 -5.864 1.00 0.00 O ATOM 0 H TYR A 90 6.401 -7.798 -2.529 1.00 0.00 H new ATOM 0 HA TYR A 90 5.753 -7.557 -5.405 1.00 0.00 H new ATOM 0 HB2 TYR A 90 3.989 -7.717 -2.954 1.00 0.00 H new ATOM 0 HB3 TYR A 90 3.421 -7.071 -4.480 1.00 0.00 H new ATOM 0 HD1 TYR A 90 4.489 -10.122 -2.719 1.00 0.00 H new ATOM 0 HD2 TYR A 90 3.104 -8.528 -6.416 1.00 0.00 H new ATOM 0 HE1 TYR A 90 4.004 -12.393 -3.515 1.00 0.00 H new ATOM 0 HE2 TYR A 90 2.608 -10.792 -7.212 1.00 0.00 H new ATOM 0 HH TYR A 90 2.635 -12.955 -6.771 1.00 0.00 H new ATOM 231 N HIS A 91 5.495 -5.071 -5.252 1.00 0.00 N ATOM 232 CA HIS A 91 5.623 -3.625 -5.206 1.00 0.00 C ATOM 233 C HIS A 91 4.271 -2.975 -4.990 1.00 0.00 C ATOM 234 O HIS A 91 3.267 -3.410 -5.557 1.00 0.00 O ATOM 235 CB HIS A 91 6.242 -3.095 -6.509 1.00 0.00 C ATOM 236 CG HIS A 91 7.665 -3.518 -6.748 1.00 0.00 C ATOM 237 ND1 HIS A 91 8.689 -2.622 -6.936 1.00 0.00 N ATOM 238 CD2 HIS A 91 8.224 -4.747 -6.857 1.00 0.00 C ATOM 239 CE1 HIS A 91 9.811 -3.273 -7.153 1.00 0.00 C ATOM 240 NE2 HIS A 91 9.560 -4.565 -7.108 1.00 0.00 N ATOM 0 H HIS A 91 5.260 -5.446 -6.171 1.00 0.00 H new ATOM 0 HA HIS A 91 6.277 -3.374 -4.371 1.00 0.00 H new ATOM 0 HB2 HIS A 91 5.632 -3.431 -7.348 1.00 0.00 H new ATOM 0 HB3 HIS A 91 6.198 -2.006 -6.499 1.00 0.00 H new ATOM 0 HD2 HIS A 91 7.713 -5.694 -6.764 1.00 0.00 H new ATOM 0 HE1 HIS A 91 10.776 -2.824 -7.337 1.00 0.00 H new ATOM 0 HE2 HIS A 91 10.246 -5.308 -7.238 1.00 0.00 H new ATOM 249 N VAL A 92 4.243 -1.948 -4.168 1.00 0.00 N ATOM 250 CA VAL A 92 3.034 -1.197 -3.918 1.00 0.00 C ATOM 251 C VAL A 92 3.253 0.243 -4.335 1.00 0.00 C ATOM 252 O VAL A 92 4.122 0.929 -3.797 1.00 0.00 O ATOM 253 CB VAL A 92 2.626 -1.231 -2.430 1.00 0.00 C ATOM 254 CG1 VAL A 92 1.336 -0.456 -2.205 1.00 0.00 C ATOM 255 CG2 VAL A 92 2.488 -2.664 -1.936 1.00 0.00 C ATOM 0 H VAL A 92 5.058 -1.611 -3.655 1.00 0.00 H new ATOM 0 HA VAL A 92 2.231 -1.655 -4.496 1.00 0.00 H new ATOM 0 HB VAL A 92 3.416 -0.750 -1.854 1.00 0.00 H new ATOM 0 HG11 VAL A 92 1.068 -0.494 -1.149 1.00 0.00 H new ATOM 0 HG12 VAL A 92 1.478 0.582 -2.506 1.00 0.00 H new ATOM 0 HG13 VAL A 92 0.537 -0.900 -2.798 1.00 0.00 H new ATOM 0 HG21 VAL A 92 2.200 -2.660 -0.885 1.00 0.00 H new ATOM 0 HG22 VAL A 92 1.724 -3.178 -2.520 1.00 0.00 H new ATOM 0 HG23 VAL A 92 3.441 -3.181 -2.049 1.00 0.00 H new ATOM 265 N VAL A 93 2.484 0.685 -5.289 1.00 0.00 N ATOM 266 CA VAL A 93 2.601 2.035 -5.807 1.00 0.00 C ATOM 267 C VAL A 93 1.252 2.731 -5.749 1.00 0.00 C ATOM 268 O VAL A 93 0.237 2.159 -6.148 1.00 0.00 O ATOM 269 CB VAL A 93 3.117 2.040 -7.272 1.00 0.00 C ATOM 270 CG1 VAL A 93 3.286 3.463 -7.785 1.00 0.00 C ATOM 271 CG2 VAL A 93 4.429 1.271 -7.387 1.00 0.00 C ATOM 0 H VAL A 93 1.756 0.127 -5.735 1.00 0.00 H new ATOM 0 HA VAL A 93 3.322 2.567 -5.186 1.00 0.00 H new ATOM 0 HB VAL A 93 2.371 1.541 -7.891 1.00 0.00 H new ATOM 0 HG11 VAL A 93 3.648 3.439 -8.813 1.00 0.00 H new ATOM 0 HG12 VAL A 93 2.326 3.979 -7.751 1.00 0.00 H new ATOM 0 HG13 VAL A 93 4.005 3.992 -7.159 1.00 0.00 H new ATOM 0 HG21 VAL A 93 4.771 1.288 -8.422 1.00 0.00 H new ATOM 0 HG22 VAL A 93 5.180 1.736 -6.749 1.00 0.00 H new ATOM 0 HG23 VAL A 93 4.274 0.239 -7.073 1.00 0.00 H new ATOM 281 N CYS A 94 1.241 3.955 -5.271 1.00 0.00 N ATOM 282 CA CYS A 94 0.007 4.702 -5.147 1.00 0.00 C ATOM 283 C CYS A 94 0.021 5.901 -6.073 1.00 0.00 C ATOM 284 O CYS A 94 0.901 6.754 -5.984 1.00 0.00 O ATOM 285 CB CYS A 94 -0.196 5.152 -3.705 1.00 0.00 C ATOM 286 SG CYS A 94 -0.228 3.785 -2.506 1.00 0.00 S ATOM 0 H CYS A 94 2.074 4.456 -4.961 1.00 0.00 H new ATOM 0 HA CYS A 94 -0.821 4.053 -5.430 1.00 0.00 H new ATOM 0 HB2 CYS A 94 0.603 5.842 -3.434 1.00 0.00 H new ATOM 0 HB3 CYS A 94 -1.132 5.706 -3.636 1.00 0.00 H new ATOM 291 N HIS A 95 -0.947 5.959 -6.967 1.00 0.00 N ATOM 292 CA HIS A 95 -1.047 7.058 -7.921 1.00 0.00 C ATOM 293 C HIS A 95 -1.894 8.175 -7.345 1.00 0.00 C ATOM 294 O HIS A 95 -1.826 9.320 -7.799 1.00 0.00 O ATOM 295 CB HIS A 95 -1.668 6.581 -9.241 1.00 0.00 C ATOM 296 CG HIS A 95 -0.908 5.487 -9.919 1.00 0.00 C ATOM 297 ND1 HIS A 95 -1.443 4.243 -10.164 1.00 0.00 N ATOM 298 CD2 HIS A 95 0.351 5.455 -10.415 1.00 0.00 C ATOM 299 CE1 HIS A 95 -0.549 3.494 -10.776 1.00 0.00 C ATOM 300 NE2 HIS A 95 0.545 4.205 -10.939 1.00 0.00 N ATOM 0 H HIS A 95 -1.681 5.256 -7.056 1.00 0.00 H new ATOM 0 HA HIS A 95 -0.040 7.426 -8.117 1.00 0.00 H new ATOM 0 HB2 HIS A 95 -2.684 6.236 -9.047 1.00 0.00 H new ATOM 0 HB3 HIS A 95 -1.744 7.430 -9.921 1.00 0.00 H new ATOM 0 HD2 HIS A 95 1.067 6.263 -10.400 1.00 0.00 H new ATOM 0 HE1 HIS A 95 -0.690 2.470 -11.090 1.00 0.00 H new ATOM 0 HE2 HIS A 95 1.402 3.877 -11.385 1.00 0.00 H new ATOM 309 N GLU A 96 -2.676 7.837 -6.326 1.00 0.00 N ATOM 310 CA GLU A 96 -3.590 8.776 -5.693 1.00 0.00 C ATOM 311 C GLU A 96 -3.766 8.410 -4.232 1.00 0.00 C ATOM 312 O GLU A 96 -3.319 7.347 -3.792 1.00 0.00 O ATOM 313 CB GLU A 96 -4.962 8.753 -6.382 1.00 0.00 C ATOM 314 CG GLU A 96 -4.950 9.203 -7.830 1.00 0.00 C ATOM 315 CD GLU A 96 -6.322 9.167 -8.452 1.00 0.00 C ATOM 316 OE1 GLU A 96 -7.083 10.142 -8.275 1.00 0.00 O ATOM 317 OE2 GLU A 96 -6.646 8.166 -9.125 1.00 0.00 O ATOM 0 H GLU A 96 -2.693 6.903 -5.916 1.00 0.00 H new ATOM 0 HA GLU A 96 -3.167 9.776 -5.782 1.00 0.00 H new ATOM 0 HB2 GLU A 96 -5.361 7.740 -6.334 1.00 0.00 H new ATOM 0 HB3 GLU A 96 -5.645 9.392 -5.823 1.00 0.00 H new ATOM 0 HG2 GLU A 96 -4.553 10.216 -7.890 1.00 0.00 H new ATOM 0 HG3 GLU A 96 -4.278 8.563 -8.401 1.00 0.00 H new ATOM 324 N GLU A 97 -4.405 9.288 -3.482 1.00 0.00 N ATOM 325 CA GLU A 97 -4.686 9.032 -2.084 1.00 0.00 C ATOM 326 C GLU A 97 -6.001 8.286 -1.942 1.00 0.00 C ATOM 327 O GLU A 97 -7.066 8.817 -2.269 1.00 0.00 O ATOM 328 CB GLU A 97 -4.749 10.337 -1.302 1.00 0.00 C ATOM 329 CG GLU A 97 -3.454 11.118 -1.306 1.00 0.00 C ATOM 330 CD GLU A 97 -3.586 12.445 -0.605 1.00 0.00 C ATOM 331 OE1 GLU A 97 -3.570 12.467 0.643 1.00 0.00 O ATOM 332 OE2 GLU A 97 -3.705 13.479 -1.301 1.00 0.00 O ATOM 0 H GLU A 97 -4.741 10.190 -3.821 1.00 0.00 H new ATOM 0 HA GLU A 97 -3.880 8.419 -1.680 1.00 0.00 H new ATOM 0 HB2 GLU A 97 -5.539 10.961 -1.719 1.00 0.00 H new ATOM 0 HB3 GLU A 97 -5.026 10.118 -0.271 1.00 0.00 H new ATOM 0 HG2 GLU A 97 -2.675 10.529 -0.821 1.00 0.00 H new ATOM 0 HG3 GLU A 97 -3.135 11.283 -2.335 1.00 0.00 H new ATOM 339 N GLY A 98 -5.923 7.064 -1.474 1.00 0.00 N ATOM 340 CA GLY A 98 -7.101 6.263 -1.295 1.00 0.00 C ATOM 341 C GLY A 98 -6.757 4.819 -1.042 1.00 0.00 C ATOM 342 O GLY A 98 -5.606 4.417 -1.230 1.00 0.00 O ATOM 0 H GLY A 98 -5.051 6.605 -1.211 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -7.682 6.651 -0.458 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -7.730 6.338 -2.182 1.00 0.00 H new ATOM 346 N PRO A 99 -7.719 4.020 -0.582 1.00 0.00 N ATOM 347 CA PRO A 99 -7.511 2.608 -0.327 1.00 0.00 C ATOM 348 C PRO A 99 -7.748 1.739 -1.569 1.00 0.00 C ATOM 349 O PRO A 99 -8.768 1.866 -2.251 1.00 0.00 O ATOM 350 CB PRO A 99 -8.552 2.304 0.742 1.00 0.00 C ATOM 351 CG PRO A 99 -9.683 3.237 0.449 1.00 0.00 C ATOM 352 CD PRO A 99 -9.087 4.444 -0.242 1.00 0.00 C ATOM 0 HA PRO A 99 -6.485 2.391 -0.031 1.00 0.00 H new ATOM 0 HB2 PRO A 99 -8.875 1.264 0.695 1.00 0.00 H new ATOM 0 HB3 PRO A 99 -8.152 2.469 1.742 1.00 0.00 H new ATOM 0 HG2 PRO A 99 -10.426 2.756 -0.187 1.00 0.00 H new ATOM 0 HG3 PRO A 99 -10.191 3.529 1.368 1.00 0.00 H new ATOM 0 HD2 PRO A 99 -9.654 4.714 -1.133 1.00 0.00 H new ATOM 0 HD3 PRO A 99 -9.084 5.317 0.411 1.00 0.00 H new ATOM 360 N ILE A 100 -6.802 0.863 -1.846 1.00 0.00 N ATOM 361 CA ILE A 100 -6.892 -0.064 -2.971 1.00 0.00 C ATOM 362 C ILE A 100 -6.336 -1.430 -2.566 1.00 0.00 C ATOM 363 O ILE A 100 -5.554 -1.518 -1.629 1.00 0.00 O ATOM 364 CB ILE A 100 -6.167 0.470 -4.254 1.00 0.00 C ATOM 365 CG1 ILE A 100 -4.938 1.337 -3.904 1.00 0.00 C ATOM 366 CG2 ILE A 100 -7.139 1.239 -5.147 1.00 0.00 C ATOM 367 CD1 ILE A 100 -3.757 0.563 -3.354 1.00 0.00 C ATOM 0 H ILE A 100 -5.946 0.769 -1.300 1.00 0.00 H new ATOM 0 HA ILE A 100 -7.947 -0.162 -3.228 1.00 0.00 H new ATOM 0 HB ILE A 100 -5.804 -0.397 -4.806 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -4.620 1.872 -4.799 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -5.236 2.088 -3.173 1.00 0.00 H new ATOM 0 HG21 ILE A 100 -6.613 1.600 -6.031 1.00 0.00 H new ATOM 0 HG22 ILE A 100 -7.952 0.580 -5.452 1.00 0.00 H new ATOM 0 HG23 ILE A 100 -7.546 2.087 -4.596 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -2.940 1.251 -3.136 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -4.053 0.050 -2.439 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -3.427 -0.170 -4.091 1.00 0.00 H new ATOM 379 N PRO A 101 -6.744 -2.518 -3.251 1.00 0.00 N ATOM 380 CA PRO A 101 -6.312 -3.885 -2.910 1.00 0.00 C ATOM 381 C PRO A 101 -4.815 -4.106 -3.100 1.00 0.00 C ATOM 382 O PRO A 101 -4.121 -3.300 -3.728 1.00 0.00 O ATOM 383 CB PRO A 101 -7.098 -4.764 -3.883 1.00 0.00 C ATOM 384 CG PRO A 101 -7.415 -3.864 -5.017 1.00 0.00 C ATOM 385 CD PRO A 101 -7.646 -2.514 -4.407 1.00 0.00 C ATOM 0 HA PRO A 101 -6.497 -4.105 -1.859 1.00 0.00 H new ATOM 0 HB2 PRO A 101 -6.509 -5.622 -4.209 1.00 0.00 H new ATOM 0 HB3 PRO A 101 -8.004 -5.156 -3.421 1.00 0.00 H new ATOM 0 HG2 PRO A 101 -6.596 -3.835 -5.735 1.00 0.00 H new ATOM 0 HG3 PRO A 101 -8.298 -4.208 -5.555 1.00 0.00 H new ATOM 0 HD2 PRO A 101 -7.407 -1.710 -5.103 1.00 0.00 H new ATOM 0 HD3 PRO A 101 -8.685 -2.378 -4.108 1.00 0.00 H new ATOM 393 N HIS A 102 -4.331 -5.210 -2.572 1.00 0.00 N ATOM 394 CA HIS A 102 -2.933 -5.556 -2.650 1.00 0.00 C ATOM 395 C HIS A 102 -2.705 -6.444 -3.878 1.00 0.00 C ATOM 396 O HIS A 102 -3.323 -7.495 -4.004 1.00 0.00 O ATOM 397 CB HIS A 102 -2.523 -6.283 -1.369 1.00 0.00 C ATOM 398 CG HIS A 102 -1.081 -6.151 -1.016 1.00 0.00 C ATOM 399 ND1 HIS A 102 -0.190 -7.178 -1.116 1.00 0.00 N ATOM 400 CD2 HIS A 102 -0.384 -5.102 -0.529 1.00 0.00 C ATOM 401 CE1 HIS A 102 0.986 -6.777 -0.713 1.00 0.00 C ATOM 402 NE2 HIS A 102 0.904 -5.518 -0.345 1.00 0.00 N ATOM 0 H HIS A 102 -4.901 -5.894 -2.075 1.00 0.00 H new ATOM 0 HA HIS A 102 -2.324 -4.657 -2.750 1.00 0.00 H new ATOM 0 HB2 HIS A 102 -3.122 -5.901 -0.542 1.00 0.00 H new ATOM 0 HB3 HIS A 102 -2.762 -7.341 -1.475 1.00 0.00 H new ATOM 0 HD1 HIS A 102 -0.408 -8.115 -1.454 1.00 0.00 H new ATOM 0 HD2 HIS A 102 -0.773 -4.116 -0.323 1.00 0.00 H new ATOM 0 HE1 HIS A 102 1.880 -7.382 -0.687 1.00 0.00 H new ATOM 411 N PRO A 103 -1.797 -6.036 -4.786 1.00 0.00 N ATOM 412 CA PRO A 103 -1.568 -6.734 -6.073 1.00 0.00 C ATOM 413 C PRO A 103 -1.155 -8.205 -5.925 1.00 0.00 C ATOM 414 O PRO A 103 -1.449 -9.025 -6.786 1.00 0.00 O ATOM 415 CB PRO A 103 -0.433 -5.925 -6.723 1.00 0.00 C ATOM 416 CG PRO A 103 0.202 -5.187 -5.597 1.00 0.00 C ATOM 417 CD PRO A 103 -0.911 -4.869 -4.643 1.00 0.00 C ATOM 0 HA PRO A 103 -2.487 -6.776 -6.658 1.00 0.00 H new ATOM 0 HB2 PRO A 103 0.283 -6.578 -7.221 1.00 0.00 H new ATOM 0 HB3 PRO A 103 -0.818 -5.239 -7.478 1.00 0.00 H new ATOM 0 HG2 PRO A 103 0.970 -5.792 -5.115 1.00 0.00 H new ATOM 0 HG3 PRO A 103 0.688 -4.277 -5.949 1.00 0.00 H new ATOM 0 HD2 PRO A 103 -0.550 -4.757 -3.621 1.00 0.00 H new ATOM 0 HD3 PRO A 103 -1.418 -3.940 -4.906 1.00 0.00 H new ATOM 425 N GLY A 104 -0.486 -8.531 -4.836 1.00 0.00 N ATOM 426 CA GLY A 104 -0.034 -9.897 -4.641 1.00 0.00 C ATOM 427 C GLY A 104 -1.041 -10.761 -3.913 1.00 0.00 C ATOM 428 O GLY A 104 -0.949 -11.988 -3.941 1.00 0.00 O ATOM 0 H GLY A 104 -0.246 -7.884 -4.085 1.00 0.00 H new ATOM 0 HA2 GLY A 104 0.183 -10.343 -5.612 1.00 0.00 H new ATOM 0 HA3 GLY A 104 0.900 -9.887 -4.079 1.00 0.00 H new ATOM 432 N ASN A 105 -2.008 -10.125 -3.275 1.00 0.00 N ATOM 433 CA ASN A 105 -3.007 -10.829 -2.484 1.00 0.00 C ATOM 434 C ASN A 105 -4.153 -9.894 -2.111 1.00 0.00 C ATOM 435 O ASN A 105 -4.043 -9.106 -1.170 1.00 0.00 O ATOM 436 CB ASN A 105 -2.393 -11.518 -1.238 1.00 0.00 C ATOM 437 CG ASN A 105 -1.507 -10.618 -0.392 1.00 0.00 C ATOM 438 OD1 ASN A 105 -0.958 -9.626 -0.868 1.00 0.00 O ATOM 439 ND2 ASN A 105 -1.330 -10.981 0.857 1.00 0.00 N ATOM 0 H ASN A 105 -2.124 -9.112 -3.289 1.00 0.00 H new ATOM 0 HA ASN A 105 -3.413 -11.629 -3.103 1.00 0.00 H new ATOM 0 HB2 ASN A 105 -3.201 -11.900 -0.615 1.00 0.00 H new ATOM 0 HB3 ASN A 105 -1.809 -12.378 -1.565 1.00 0.00 H new ATOM 0 HD21 ASN A 105 -0.721 -10.434 1.466 1.00 0.00 H new ATOM 0 HD22 ASN A 105 -1.801 -11.810 1.219 1.00 0.00 H new ATOM 446 N VAL A 106 -5.236 -9.955 -2.885 1.00 0.00 N ATOM 447 CA VAL A 106 -6.428 -9.116 -2.664 1.00 0.00 C ATOM 448 C VAL A 106 -7.032 -9.254 -1.252 1.00 0.00 C ATOM 449 O VAL A 106 -7.914 -8.480 -0.872 1.00 0.00 O ATOM 450 CB VAL A 106 -7.516 -9.366 -3.733 1.00 0.00 C ATOM 451 CG1 VAL A 106 -7.024 -8.931 -5.103 1.00 0.00 C ATOM 452 CG2 VAL A 106 -7.925 -10.828 -3.757 1.00 0.00 C ATOM 0 H VAL A 106 -5.318 -10.584 -3.683 1.00 0.00 H new ATOM 0 HA VAL A 106 -6.069 -8.091 -2.757 1.00 0.00 H new ATOM 0 HB VAL A 106 -8.392 -8.772 -3.472 1.00 0.00 H new ATOM 0 HG11 VAL A 106 -7.802 -9.114 -5.844 1.00 0.00 H new ATOM 0 HG12 VAL A 106 -6.785 -7.868 -5.083 1.00 0.00 H new ATOM 0 HG13 VAL A 106 -6.132 -9.499 -5.366 1.00 0.00 H new ATOM 0 HG21 VAL A 106 -8.692 -10.979 -4.517 1.00 0.00 H new ATOM 0 HG22 VAL A 106 -7.057 -11.445 -3.990 1.00 0.00 H new ATOM 0 HG23 VAL A 106 -8.321 -11.111 -2.782 1.00 0.00 H new ATOM 462 N HIS A 107 -6.566 -10.246 -0.480 1.00 0.00 N ATOM 463 CA HIS A 107 -7.003 -10.409 0.922 1.00 0.00 C ATOM 464 C HIS A 107 -6.428 -9.282 1.795 1.00 0.00 C ATOM 465 O HIS A 107 -6.671 -9.218 3.001 1.00 0.00 O ATOM 466 CB HIS A 107 -6.568 -11.768 1.488 1.00 0.00 C ATOM 467 CG HIS A 107 -7.246 -12.947 0.860 1.00 0.00 C ATOM 468 ND1 HIS A 107 -6.580 -14.102 0.521 1.00 0.00 N ATOM 469 CD2 HIS A 107 -8.540 -13.151 0.526 1.00 0.00 C ATOM 470 CE1 HIS A 107 -7.432 -14.964 0.006 1.00 0.00 C ATOM 471 NE2 HIS A 107 -8.628 -14.415 -0.004 1.00 0.00 N ATOM 0 H HIS A 107 -5.892 -10.944 -0.795 1.00 0.00 H new ATOM 0 HA HIS A 107 -8.092 -10.361 0.936 1.00 0.00 H new ATOM 0 HB2 HIS A 107 -5.491 -11.873 1.359 1.00 0.00 H new ATOM 0 HB3 HIS A 107 -6.764 -11.781 2.560 1.00 0.00 H new ATOM 0 HD2 HIS A 107 -9.353 -12.451 0.652 1.00 0.00 H new ATOM 0 HE1 HIS A 107 -7.190 -15.955 -0.349 1.00 0.00 H new ATOM 0 HE2 HIS A 107 -9.481 -14.856 -0.349 1.00 0.00 H new ATOM 480 N LYS A 108 -5.678 -8.398 1.163 1.00 0.00 N ATOM 481 CA LYS A 108 -5.075 -7.261 1.818 1.00 0.00 C ATOM 482 C LYS A 108 -5.298 -6.034 0.975 1.00 0.00 C ATOM 483 O LYS A 108 -5.535 -6.137 -0.231 1.00 0.00 O ATOM 484 CB LYS A 108 -3.571 -7.443 1.994 1.00 0.00 C ATOM 485 CG LYS A 108 -3.148 -8.423 3.060 1.00 0.00 C ATOM 486 CD LYS A 108 -1.640 -8.400 3.213 1.00 0.00 C ATOM 487 CE LYS A 108 -1.187 -9.188 4.428 1.00 0.00 C ATOM 488 NZ LYS A 108 0.278 -9.443 4.420 1.00 0.00 N ATOM 0 H LYS A 108 -5.470 -8.454 0.166 1.00 0.00 H new ATOM 0 HA LYS A 108 -5.535 -7.161 2.801 1.00 0.00 H new ATOM 0 HB2 LYS A 108 -3.149 -7.766 1.042 1.00 0.00 H new ATOM 0 HB3 LYS A 108 -3.131 -6.473 2.224 1.00 0.00 H new ATOM 0 HG2 LYS A 108 -3.622 -8.170 4.008 1.00 0.00 H new ATOM 0 HG3 LYS A 108 -3.480 -9.427 2.796 1.00 0.00 H new ATOM 0 HD2 LYS A 108 -1.177 -8.814 2.317 1.00 0.00 H new ATOM 0 HD3 LYS A 108 -1.299 -7.368 3.300 1.00 0.00 H new ATOM 0 HE2 LYS A 108 -1.454 -8.642 5.333 1.00 0.00 H new ATOM 0 HE3 LYS A 108 -1.719 -10.139 4.461 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 0.551 -9.924 5.300 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 0.521 -10.044 3.607 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 0.787 -8.539 4.347 1.00 0.00 H new ATOM 502 N TYR A 109 -5.226 -4.883 1.590 1.00 0.00 N ATOM 503 CA TYR A 109 -5.352 -3.643 0.862 1.00 0.00 C ATOM 504 C TYR A 109 -4.430 -2.595 1.443 1.00 0.00 C ATOM 505 O TYR A 109 -3.907 -2.766 2.540 1.00 0.00 O ATOM 506 CB TYR A 109 -6.806 -3.160 0.801 1.00 0.00 C ATOM 507 CG TYR A 109 -7.332 -2.456 2.031 1.00 0.00 C ATOM 508 CD1 TYR A 109 -7.700 -3.161 3.171 1.00 0.00 C ATOM 509 CD2 TYR A 109 -7.497 -1.078 2.030 1.00 0.00 C ATOM 510 CE1 TYR A 109 -8.215 -2.507 4.274 1.00 0.00 C ATOM 511 CE2 TYR A 109 -8.003 -0.418 3.126 1.00 0.00 C ATOM 512 CZ TYR A 109 -8.364 -1.136 4.247 1.00 0.00 C ATOM 513 OH TYR A 109 -8.884 -0.480 5.342 1.00 0.00 O ATOM 0 H TYR A 109 -5.081 -4.776 2.594 1.00 0.00 H new ATOM 0 HA TYR A 109 -5.047 -3.824 -0.169 1.00 0.00 H new ATOM 0 HB2 TYR A 109 -6.906 -2.484 -0.049 1.00 0.00 H new ATOM 0 HB3 TYR A 109 -7.444 -4.021 0.601 1.00 0.00 H new ATOM 0 HD1 TYR A 109 -7.582 -4.234 3.195 1.00 0.00 H new ATOM 0 HD2 TYR A 109 -7.223 -0.513 1.152 1.00 0.00 H new ATOM 0 HE1 TYR A 109 -8.499 -3.067 5.153 1.00 0.00 H new ATOM 0 HE2 TYR A 109 -8.117 0.656 3.109 1.00 0.00 H new ATOM 0 HH TYR A 109 -8.921 0.482 5.160 1.00 0.00 H new ATOM 523 N ILE A 110 -4.225 -1.523 0.720 1.00 0.00 N ATOM 524 CA ILE A 110 -3.341 -0.476 1.173 1.00 0.00 C ATOM 525 C ILE A 110 -4.068 0.848 1.196 1.00 0.00 C ATOM 526 O ILE A 110 -4.875 1.140 0.312 1.00 0.00 O ATOM 527 CB ILE A 110 -2.079 -0.321 0.271 1.00 0.00 C ATOM 528 CG1 ILE A 110 -1.509 -1.677 -0.148 1.00 0.00 C ATOM 529 CG2 ILE A 110 -1.013 0.497 0.981 1.00 0.00 C ATOM 530 CD1 ILE A 110 -2.054 -2.181 -1.468 1.00 0.00 C ATOM 0 H ILE A 110 -4.659 -1.351 -0.187 1.00 0.00 H new ATOM 0 HA ILE A 110 -3.017 -0.762 2.174 1.00 0.00 H new ATOM 0 HB ILE A 110 -2.389 0.203 -0.633 1.00 0.00 H new ATOM 0 HG12 ILE A 110 -0.424 -1.600 -0.218 1.00 0.00 H new ATOM 0 HG13 ILE A 110 -1.727 -2.409 0.629 1.00 0.00 H new ATOM 0 HG21 ILE A 110 -0.140 0.595 0.336 1.00 0.00 H new ATOM 0 HG22 ILE A 110 -1.407 1.487 1.211 1.00 0.00 H new ATOM 0 HG23 ILE A 110 -0.727 -0.003 1.906 1.00 0.00 H new ATOM 0 HD11 ILE A 110 -1.606 -3.147 -1.702 1.00 0.00 H new ATOM 0 HD12 ILE A 110 -3.136 -2.291 -1.397 1.00 0.00 H new ATOM 0 HD13 ILE A 110 -1.813 -1.469 -2.257 1.00 0.00 H new ATOM 542 N ILE A 111 -3.799 1.630 2.208 1.00 0.00 N ATOM 543 CA ILE A 111 -4.345 2.954 2.310 1.00 0.00 C ATOM 544 C ILE A 111 -3.255 3.929 1.943 1.00 0.00 C ATOM 545 O ILE A 111 -2.237 4.022 2.640 1.00 0.00 O ATOM 546 CB ILE A 111 -4.867 3.295 3.738 1.00 0.00 C ATOM 547 CG1 ILE A 111 -5.917 2.285 4.213 1.00 0.00 C ATOM 548 CG2 ILE A 111 -5.448 4.701 3.767 1.00 0.00 C ATOM 549 CD1 ILE A 111 -5.336 1.004 4.773 1.00 0.00 C ATOM 0 H ILE A 111 -3.194 1.365 2.985 1.00 0.00 H new ATOM 0 HA ILE A 111 -5.201 3.017 1.639 1.00 0.00 H new ATOM 0 HB ILE A 111 -4.018 3.242 4.419 1.00 0.00 H new ATOM 0 HG12 ILE A 111 -6.537 2.754 4.977 1.00 0.00 H new ATOM 0 HG13 ILE A 111 -6.572 2.039 3.378 1.00 0.00 H new ATOM 0 HG21 ILE A 111 -5.809 4.925 4.771 1.00 0.00 H new ATOM 0 HG22 ILE A 111 -4.676 5.419 3.490 1.00 0.00 H new ATOM 0 HG23 ILE A 111 -6.276 4.767 3.061 1.00 0.00 H new ATOM 0 HD11 ILE A 111 -6.145 0.344 5.086 1.00 0.00 H new ATOM 0 HD12 ILE A 111 -4.740 0.509 4.006 1.00 0.00 H new ATOM 0 HD13 ILE A 111 -4.704 1.235 5.630 1.00 0.00 H new ATOM 561 N CYS A 112 -3.434 4.624 0.853 1.00 0.00 N ATOM 562 CA CYS A 112 -2.429 5.557 0.392 1.00 0.00 C ATOM 563 C CYS A 112 -2.778 6.957 0.850 1.00 0.00 C ATOM 564 O CYS A 112 -3.859 7.460 0.553 1.00 0.00 O ATOM 565 CB CYS A 112 -2.327 5.501 -1.131 1.00 0.00 C ATOM 566 SG CYS A 112 -2.125 3.812 -1.796 1.00 0.00 S ATOM 0 H CYS A 112 -4.265 4.566 0.264 1.00 0.00 H new ATOM 0 HA CYS A 112 -1.463 5.283 0.815 1.00 0.00 H new ATOM 0 HB2 CYS A 112 -3.224 5.946 -1.562 1.00 0.00 H new ATOM 0 HB3 CYS A 112 -1.482 6.111 -1.452 1.00 0.00 H new ATOM 571 N SER A 113 -1.870 7.581 1.571 1.00 0.00 N ATOM 572 CA SER A 113 -2.105 8.907 2.090 1.00 0.00 C ATOM 573 C SER A 113 -0.897 9.804 1.867 1.00 0.00 C ATOM 574 O SER A 113 0.249 9.347 1.906 1.00 0.00 O ATOM 575 CB SER A 113 -2.447 8.831 3.583 1.00 0.00 C ATOM 576 OG SER A 113 -1.474 8.083 4.298 1.00 0.00 O ATOM 0 H SER A 113 -0.960 7.187 1.810 1.00 0.00 H new ATOM 0 HA SER A 113 -2.948 9.342 1.553 1.00 0.00 H new ATOM 0 HB2 SER A 113 -2.510 9.838 3.996 1.00 0.00 H new ATOM 0 HB3 SER A 113 -3.427 8.372 3.711 1.00 0.00 H new ATOM 0 HG SER A 113 -0.776 7.779 3.681 1.00 0.00 H new ATOM 582 N LYS A 114 -1.156 11.068 1.624 1.00 0.00 N ATOM 583 CA LYS A 114 -0.102 12.026 1.412 1.00 0.00 C ATOM 584 C LYS A 114 -0.055 12.996 2.579 1.00 0.00 C ATOM 585 O LYS A 114 -1.042 13.669 2.884 1.00 0.00 O ATOM 586 CB LYS A 114 -0.332 12.774 0.097 1.00 0.00 C ATOM 587 CG LYS A 114 0.747 13.781 -0.263 1.00 0.00 C ATOM 588 CD LYS A 114 0.395 14.501 -1.553 1.00 0.00 C ATOM 589 CE LYS A 114 1.459 15.506 -1.946 1.00 0.00 C ATOM 590 NZ LYS A 114 1.067 16.279 -3.150 1.00 0.00 N ATOM 0 H LYS A 114 -2.097 11.457 1.568 1.00 0.00 H new ATOM 0 HA LYS A 114 0.854 11.507 1.348 1.00 0.00 H new ATOM 0 HB2 LYS A 114 -0.412 12.045 -0.710 1.00 0.00 H new ATOM 0 HB3 LYS A 114 -1.289 13.293 0.154 1.00 0.00 H new ATOM 0 HG2 LYS A 114 0.861 14.504 0.544 1.00 0.00 H new ATOM 0 HG3 LYS A 114 1.705 13.272 -0.373 1.00 0.00 H new ATOM 0 HD2 LYS A 114 0.270 13.772 -2.354 1.00 0.00 H new ATOM 0 HD3 LYS A 114 -0.561 15.011 -1.435 1.00 0.00 H new ATOM 0 HE2 LYS A 114 1.637 16.190 -1.116 1.00 0.00 H new ATOM 0 HE3 LYS A 114 2.398 14.986 -2.137 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 1.820 16.956 -3.388 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 0.921 15.628 -3.948 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 0.185 16.795 -2.959 1.00 0.00 H new ATOM 604 N SER A 115 1.067 13.038 3.243 1.00 0.00 N ATOM 605 CA SER A 115 1.268 13.925 4.356 1.00 0.00 C ATOM 606 C SER A 115 2.123 15.106 3.924 1.00 0.00 C ATOM 607 O SER A 115 3.353 15.081 4.039 1.00 0.00 O ATOM 608 CB SER A 115 1.917 13.172 5.513 1.00 0.00 C ATOM 609 OG SER A 115 1.082 12.103 5.941 1.00 0.00 O ATOM 0 H SER A 115 1.874 12.453 3.026 1.00 0.00 H new ATOM 0 HA SER A 115 0.305 14.305 4.697 1.00 0.00 H new ATOM 0 HB2 SER A 115 2.887 12.782 5.203 1.00 0.00 H new ATOM 0 HB3 SER A 115 2.098 13.855 6.343 1.00 0.00 H new ATOM 0 HG SER A 115 1.570 11.543 6.580 1.00 0.00 H new ATOM 615 N GLY A 116 1.460 16.113 3.382 1.00 0.00 N ATOM 616 CA GLY A 116 2.149 17.284 2.900 1.00 0.00 C ATOM 617 C GLY A 116 3.019 16.973 1.699 1.00 0.00 C ATOM 618 O GLY A 116 2.527 16.860 0.581 1.00 0.00 O ATOM 0 H GLY A 116 0.447 16.138 3.267 1.00 0.00 H new ATOM 0 HA2 GLY A 116 1.421 18.049 2.632 1.00 0.00 H new ATOM 0 HA3 GLY A 116 2.766 17.697 3.698 1.00 0.00 H new ATOM 622 N SER A 117 4.311 16.828 1.933 1.00 0.00 N ATOM 623 CA SER A 117 5.250 16.530 0.870 1.00 0.00 C ATOM 624 C SER A 117 5.799 15.102 0.994 1.00 0.00 C ATOM 625 O SER A 117 6.696 14.706 0.250 1.00 0.00 O ATOM 626 CB SER A 117 6.398 17.538 0.899 1.00 0.00 C ATOM 627 OG SER A 117 5.899 18.871 0.921 1.00 0.00 O ATOM 0 H SER A 117 4.735 16.913 2.857 1.00 0.00 H new ATOM 0 HA SER A 117 4.723 16.604 -0.081 1.00 0.00 H new ATOM 0 HB2 SER A 117 7.020 17.363 1.777 1.00 0.00 H new ATOM 0 HB3 SER A 117 7.034 17.397 0.025 1.00 0.00 H new ATOM 0 HG SER A 117 6.649 19.501 0.941 1.00 0.00 H new ATOM 633 N LEU A 118 5.261 14.329 1.926 1.00 0.00 N ATOM 634 CA LEU A 118 5.733 12.966 2.139 1.00 0.00 C ATOM 635 C LEU A 118 4.573 11.977 2.038 1.00 0.00 C ATOM 636 O LEU A 118 3.502 12.216 2.578 1.00 0.00 O ATOM 637 CB LEU A 118 6.416 12.859 3.512 1.00 0.00 C ATOM 638 CG LEU A 118 7.702 12.017 3.561 1.00 0.00 C ATOM 639 CD1 LEU A 118 8.392 12.177 4.901 1.00 0.00 C ATOM 640 CD2 LEU A 118 7.401 10.552 3.298 1.00 0.00 C ATOM 0 H LEU A 118 4.503 14.618 2.544 1.00 0.00 H new ATOM 0 HA LEU A 118 6.459 12.718 1.365 1.00 0.00 H new ATOM 0 HB2 LEU A 118 6.651 13.865 3.858 1.00 0.00 H new ATOM 0 HB3 LEU A 118 5.702 12.437 4.219 1.00 0.00 H new ATOM 0 HG LEU A 118 8.370 12.376 2.778 1.00 0.00 H new ATOM 0 HD11 LEU A 118 9.300 11.574 4.917 1.00 0.00 H new ATOM 0 HD12 LEU A 118 8.650 13.225 5.055 1.00 0.00 H new ATOM 0 HD13 LEU A 118 7.723 11.847 5.696 1.00 0.00 H new ATOM 0 HD21 LEU A 118 8.326 9.978 3.338 1.00 0.00 H new ATOM 0 HD22 LEU A 118 6.710 10.181 4.055 1.00 0.00 H new ATOM 0 HD23 LEU A 118 6.950 10.445 2.312 1.00 0.00 H new ATOM 652 N TRP A 119 4.790 10.877 1.343 1.00 0.00 N ATOM 653 CA TRP A 119 3.758 9.859 1.176 1.00 0.00 C ATOM 654 C TRP A 119 3.883 8.750 2.220 1.00 0.00 C ATOM 655 O TRP A 119 4.983 8.275 2.512 1.00 0.00 O ATOM 656 CB TRP A 119 3.822 9.249 -0.225 1.00 0.00 C ATOM 657 CG TRP A 119 3.196 10.087 -1.293 1.00 0.00 C ATOM 658 CD1 TRP A 119 3.763 11.135 -1.959 1.00 0.00 C ATOM 659 CD2 TRP A 119 1.879 9.931 -1.830 1.00 0.00 C ATOM 660 NE1 TRP A 119 2.874 11.643 -2.876 1.00 0.00 N ATOM 661 CE2 TRP A 119 1.710 10.920 -2.816 1.00 0.00 C ATOM 662 CE3 TRP A 119 0.824 9.050 -1.572 1.00 0.00 C ATOM 663 CZ2 TRP A 119 0.530 11.052 -3.543 1.00 0.00 C ATOM 664 CZ3 TRP A 119 -0.345 9.183 -2.294 1.00 0.00 C ATOM 665 CH2 TRP A 119 -0.483 10.176 -3.270 1.00 0.00 C ATOM 0 H TRP A 119 5.673 10.660 0.881 1.00 0.00 H new ATOM 0 HA TRP A 119 2.796 10.353 1.313 1.00 0.00 H new ATOM 0 HB2 TRP A 119 4.866 9.073 -0.484 1.00 0.00 H new ATOM 0 HB3 TRP A 119 3.329 8.277 -0.208 1.00 0.00 H new ATOM 0 HD1 TRP A 119 4.762 11.509 -1.790 1.00 0.00 H new ATOM 0 HE1 TRP A 119 3.051 12.430 -3.500 1.00 0.00 H new ATOM 0 HE3 TRP A 119 0.922 8.280 -0.822 1.00 0.00 H new ATOM 0 HZ2 TRP A 119 0.419 11.819 -4.295 1.00 0.00 H new ATOM 0 HZ3 TRP A 119 -1.167 8.509 -2.102 1.00 0.00 H new ATOM 0 HH2 TRP A 119 -1.410 10.252 -3.819 1.00 0.00 H new ATOM 676 N TYR A 120 2.752 8.358 2.789 1.00 0.00 N ATOM 677 CA TYR A 120 2.703 7.264 3.743 1.00 0.00 C ATOM 678 C TYR A 120 1.625 6.272 3.341 1.00 0.00 C ATOM 679 O TYR A 120 0.484 6.659 3.068 1.00 0.00 O ATOM 680 CB TYR A 120 2.434 7.774 5.162 1.00 0.00 C ATOM 681 CG TYR A 120 3.560 8.593 5.756 1.00 0.00 C ATOM 682 CD1 TYR A 120 4.604 7.981 6.437 1.00 0.00 C ATOM 683 CD2 TYR A 120 3.577 9.975 5.641 1.00 0.00 C ATOM 684 CE1 TYR A 120 5.632 8.724 6.987 1.00 0.00 C ATOM 685 CE2 TYR A 120 4.599 10.726 6.187 1.00 0.00 C ATOM 686 CZ TYR A 120 5.623 10.096 6.858 1.00 0.00 C ATOM 687 OH TYR A 120 6.641 10.842 7.405 1.00 0.00 O ATOM 0 H TYR A 120 1.847 8.789 2.602 1.00 0.00 H new ATOM 0 HA TYR A 120 3.674 6.770 3.737 1.00 0.00 H new ATOM 0 HB2 TYR A 120 1.527 8.379 5.152 1.00 0.00 H new ATOM 0 HB3 TYR A 120 2.240 6.920 5.811 1.00 0.00 H new ATOM 0 HD1 TYR A 120 4.613 6.906 6.539 1.00 0.00 H new ATOM 0 HD2 TYR A 120 2.776 10.473 5.115 1.00 0.00 H new ATOM 0 HE1 TYR A 120 6.436 8.233 7.514 1.00 0.00 H new ATOM 0 HE2 TYR A 120 4.595 11.801 6.088 1.00 0.00 H new ATOM 0 HH TYR A 120 7.467 10.314 7.411 1.00 0.00 H new ATOM 697 N ILE A 121 1.981 5.005 3.287 1.00 0.00 N ATOM 698 CA ILE A 121 1.035 3.970 2.917 1.00 0.00 C ATOM 699 C ILE A 121 0.949 2.901 4.002 1.00 0.00 C ATOM 700 O ILE A 121 1.932 2.627 4.701 1.00 0.00 O ATOM 701 CB ILE A 121 1.384 3.330 1.531 1.00 0.00 C ATOM 702 CG1 ILE A 121 2.743 2.609 1.557 1.00 0.00 C ATOM 703 CG2 ILE A 121 1.381 4.390 0.441 1.00 0.00 C ATOM 704 CD1 ILE A 121 2.654 1.139 1.920 1.00 0.00 C ATOM 0 H ILE A 121 2.920 4.666 3.495 1.00 0.00 H new ATOM 0 HA ILE A 121 0.057 4.442 2.820 1.00 0.00 H new ATOM 0 HB ILE A 121 0.616 2.587 1.315 1.00 0.00 H new ATOM 0 HG12 ILE A 121 3.212 2.703 0.577 1.00 0.00 H new ATOM 0 HG13 ILE A 121 3.395 3.111 2.272 1.00 0.00 H new ATOM 0 HG21 ILE A 121 1.625 3.929 -0.516 1.00 0.00 H new ATOM 0 HG22 ILE A 121 0.394 4.848 0.381 1.00 0.00 H new ATOM 0 HG23 ILE A 121 2.122 5.155 0.675 1.00 0.00 H new ATOM 0 HD11 ILE A 121 3.653 0.702 1.917 1.00 0.00 H new ATOM 0 HD12 ILE A 121 2.216 1.035 2.913 1.00 0.00 H new ATOM 0 HD13 ILE A 121 2.029 0.622 1.192 1.00 0.00 H new ATOM 716 N THR A 122 -0.220 2.320 4.158 1.00 0.00 N ATOM 717 CA THR A 122 -0.437 1.297 5.166 1.00 0.00 C ATOM 718 C THR A 122 -1.150 0.092 4.560 1.00 0.00 C ATOM 719 O THR A 122 -2.221 0.235 3.979 1.00 0.00 O ATOM 720 CB THR A 122 -1.296 1.856 6.322 1.00 0.00 C ATOM 721 OG1 THR A 122 -0.733 3.090 6.795 1.00 0.00 O ATOM 722 CG2 THR A 122 -1.377 0.859 7.471 1.00 0.00 C ATOM 0 H THR A 122 -1.043 2.538 3.597 1.00 0.00 H new ATOM 0 HA THR A 122 0.536 0.989 5.548 1.00 0.00 H new ATOM 0 HB THR A 122 -2.303 2.033 5.945 1.00 0.00 H new ATOM 0 HG1 THR A 122 -1.282 3.441 7.527 1.00 0.00 H new ATOM 0 HG21 THR A 122 -1.987 1.276 8.272 1.00 0.00 H new ATOM 0 HG22 THR A 122 -1.827 -0.068 7.117 1.00 0.00 H new ATOM 0 HG23 THR A 122 -0.374 0.655 7.847 1.00 0.00 H new ATOM 730 N VAL A 123 -0.562 -1.095 4.691 1.00 0.00 N ATOM 731 CA VAL A 123 -1.182 -2.295 4.154 1.00 0.00 C ATOM 732 C VAL A 123 -1.932 -3.055 5.248 1.00 0.00 C ATOM 733 O VAL A 123 -1.331 -3.640 6.156 1.00 0.00 O ATOM 734 CB VAL A 123 -0.165 -3.228 3.434 1.00 0.00 C ATOM 735 CG1 VAL A 123 1.020 -3.564 4.330 1.00 0.00 C ATOM 736 CG2 VAL A 123 -0.861 -4.501 2.957 1.00 0.00 C ATOM 0 H VAL A 123 0.332 -1.247 5.159 1.00 0.00 H new ATOM 0 HA VAL A 123 -1.896 -1.966 3.399 1.00 0.00 H new ATOM 0 HB VAL A 123 0.224 -2.694 2.567 1.00 0.00 H new ATOM 0 HG11 VAL A 123 1.708 -4.217 3.793 1.00 0.00 H new ATOM 0 HG12 VAL A 123 1.536 -2.646 4.611 1.00 0.00 H new ATOM 0 HG13 VAL A 123 0.665 -4.070 5.228 1.00 0.00 H new ATOM 0 HG21 VAL A 123 -0.138 -5.145 2.455 1.00 0.00 H new ATOM 0 HG22 VAL A 123 -1.283 -5.028 3.813 1.00 0.00 H new ATOM 0 HG23 VAL A 123 -1.659 -4.241 2.262 1.00 0.00 H new ATOM 746 N MET A 124 -3.236 -3.015 5.166 1.00 0.00 N ATOM 747 CA MET A 124 -4.087 -3.666 6.135 1.00 0.00 C ATOM 748 C MET A 124 -4.732 -4.903 5.536 1.00 0.00 C ATOM 749 O MET A 124 -5.282 -4.855 4.435 1.00 0.00 O ATOM 750 CB MET A 124 -5.174 -2.702 6.619 1.00 0.00 C ATOM 751 CG MET A 124 -4.651 -1.404 7.230 1.00 0.00 C ATOM 752 SD MET A 124 -4.184 -1.544 8.980 1.00 0.00 S ATOM 753 CE MET A 124 -2.646 -2.461 8.895 1.00 0.00 C ATOM 0 H MET A 124 -3.742 -2.530 4.425 1.00 0.00 H new ATOM 0 HA MET A 124 -3.470 -3.966 6.982 1.00 0.00 H new ATOM 0 HB2 MET A 124 -5.823 -2.456 5.778 1.00 0.00 H new ATOM 0 HB3 MET A 124 -5.790 -3.213 7.359 1.00 0.00 H new ATOM 0 HG2 MET A 124 -3.785 -1.070 6.659 1.00 0.00 H new ATOM 0 HG3 MET A 124 -5.416 -0.634 7.129 1.00 0.00 H new ATOM 0 HE1 MET A 124 -2.028 -2.216 9.759 1.00 0.00 H new ATOM 0 HE2 MET A 124 -2.859 -3.530 8.893 1.00 0.00 H new ATOM 0 HE3 MET A 124 -2.114 -2.195 7.981 1.00 0.00 H new ATOM 763 N PRO A 125 -4.646 -6.036 6.233 1.00 0.00 N ATOM 764 CA PRO A 125 -5.288 -7.264 5.798 1.00 0.00 C ATOM 765 C PRO A 125 -6.768 -7.249 6.138 1.00 0.00 C ATOM 766 O PRO A 125 -7.158 -6.871 7.253 1.00 0.00 O ATOM 767 CB PRO A 125 -4.561 -8.343 6.598 1.00 0.00 C ATOM 768 CG PRO A 125 -4.125 -7.659 7.850 1.00 0.00 C ATOM 769 CD PRO A 125 -3.901 -6.210 7.496 1.00 0.00 C ATOM 0 HA PRO A 125 -5.230 -7.417 4.720 1.00 0.00 H new ATOM 0 HB2 PRO A 125 -5.218 -9.185 6.815 1.00 0.00 H new ATOM 0 HB3 PRO A 125 -3.709 -8.738 6.046 1.00 0.00 H new ATOM 0 HG2 PRO A 125 -4.883 -7.755 8.628 1.00 0.00 H new ATOM 0 HG3 PRO A 125 -3.211 -8.108 8.239 1.00 0.00 H new ATOM 0 HD2 PRO A 125 -4.274 -5.546 8.275 1.00 0.00 H new ATOM 0 HD3 PRO A 125 -2.841 -5.989 7.369 1.00 0.00 H new ATOM 777 N CYS A 126 -7.593 -7.639 5.197 1.00 0.00 N ATOM 778 CA CYS A 126 -9.017 -7.636 5.431 1.00 0.00 C ATOM 779 C CYS A 126 -9.456 -8.959 6.036 1.00 0.00 C ATOM 780 O CYS A 126 -8.629 -9.831 6.319 1.00 0.00 O ATOM 781 CB CYS A 126 -9.798 -7.357 4.147 1.00 0.00 C ATOM 782 SG CYS A 126 -11.477 -6.713 4.459 1.00 0.00 S ATOM 0 H CYS A 126 -7.308 -7.959 4.272 1.00 0.00 H new ATOM 0 HA CYS A 126 -9.235 -6.832 6.134 1.00 0.00 H new ATOM 0 HB2 CYS A 126 -9.246 -6.638 3.541 1.00 0.00 H new ATOM 0 HB3 CYS A 126 -9.870 -8.276 3.565 1.00 0.00 H new ATOM 787 N SER A 127 -10.748 -9.095 6.248 1.00 0.00 N ATOM 788 CA SER A 127 -11.314 -10.291 6.819 1.00 0.00 C ATOM 789 C SER A 127 -11.089 -11.495 5.911 1.00 0.00 C ATOM 790 O SER A 127 -11.056 -11.369 4.678 1.00 0.00 O ATOM 791 CB SER A 127 -12.801 -10.087 7.040 1.00 0.00 C ATOM 792 OG SER A 127 -13.050 -8.822 7.631 1.00 0.00 O ATOM 0 H SER A 127 -11.435 -8.374 6.027 1.00 0.00 H new ATOM 0 HA SER A 127 -10.819 -10.487 7.770 1.00 0.00 H new ATOM 0 HB2 SER A 127 -13.329 -10.160 6.089 1.00 0.00 H new ATOM 0 HB3 SER A 127 -13.190 -10.877 7.682 1.00 0.00 H new ATOM 0 HG SER A 127 -14.014 -8.707 7.764 1.00 0.00 H new ATOM 798 N ILE A 128 -10.934 -12.649 6.521 1.00 0.00 N ATOM 799 CA ILE A 128 -10.748 -13.877 5.791 1.00 0.00 C ATOM 800 C ILE A 128 -12.015 -14.203 5.008 1.00 0.00 C ATOM 801 O ILE A 128 -13.132 -14.012 5.500 1.00 0.00 O ATOM 802 CB ILE A 128 -10.371 -15.059 6.743 1.00 0.00 C ATOM 803 CG1 ILE A 128 -8.931 -14.903 7.274 1.00 0.00 C ATOM 804 CG2 ILE A 128 -10.528 -16.405 6.050 1.00 0.00 C ATOM 805 CD1 ILE A 128 -8.725 -13.743 8.228 1.00 0.00 C ATOM 0 H ILE A 128 -10.934 -12.760 7.535 1.00 0.00 H new ATOM 0 HA ILE A 128 -9.919 -13.742 5.097 1.00 0.00 H new ATOM 0 HB ILE A 128 -11.061 -15.027 7.586 1.00 0.00 H new ATOM 0 HG12 ILE A 128 -8.644 -15.825 7.779 1.00 0.00 H new ATOM 0 HG13 ILE A 128 -8.258 -14.781 6.426 1.00 0.00 H new ATOM 0 HG21 ILE A 128 -10.258 -17.204 6.741 1.00 0.00 H new ATOM 0 HG22 ILE A 128 -11.563 -16.533 5.735 1.00 0.00 H new ATOM 0 HG23 ILE A 128 -9.876 -16.443 5.178 1.00 0.00 H new ATOM 0 HD11 ILE A 128 -7.683 -13.715 8.547 1.00 0.00 H new ATOM 0 HD12 ILE A 128 -8.976 -12.809 7.725 1.00 0.00 H new ATOM 0 HD13 ILE A 128 -9.368 -13.870 9.099 1.00 0.00 H new ATOM 817 N GLY A 129 -11.837 -14.667 3.790 1.00 0.00 N ATOM 818 CA GLY A 129 -12.965 -14.963 2.944 1.00 0.00 C ATOM 819 C GLY A 129 -13.412 -13.765 2.131 1.00 0.00 C ATOM 820 O GLY A 129 -14.217 -13.903 1.211 1.00 0.00 O ATOM 0 H GLY A 129 -10.926 -14.846 3.368 1.00 0.00 H new ATOM 0 HA2 GLY A 129 -12.705 -15.779 2.270 1.00 0.00 H new ATOM 0 HA3 GLY A 129 -13.795 -15.310 3.559 1.00 0.00 H new ATOM 824 N THR A 130 -12.908 -12.581 2.467 1.00 0.00 N ATOM 825 CA THR A 130 -13.257 -11.385 1.729 1.00 0.00 C ATOM 826 C THR A 130 -12.020 -10.762 1.088 1.00 0.00 C ATOM 827 O THR A 130 -10.892 -10.991 1.536 1.00 0.00 O ATOM 828 CB THR A 130 -13.972 -10.334 2.622 1.00 0.00 C ATOM 829 OG1 THR A 130 -13.158 -9.986 3.753 1.00 0.00 O ATOM 830 CG2 THR A 130 -15.314 -10.863 3.113 1.00 0.00 C ATOM 0 H THR A 130 -12.261 -12.431 3.241 1.00 0.00 H new ATOM 0 HA THR A 130 -13.953 -11.690 0.947 1.00 0.00 H new ATOM 0 HB THR A 130 -14.138 -9.445 2.014 1.00 0.00 H new ATOM 0 HG1 THR A 130 -12.338 -10.523 3.744 1.00 0.00 H new ATOM 0 HG21 THR A 130 -15.796 -10.110 3.736 1.00 0.00 H new ATOM 0 HG22 THR A 130 -15.951 -11.088 2.258 1.00 0.00 H new ATOM 0 HG23 THR A 130 -15.156 -11.770 3.697 1.00 0.00 H new ATOM 838 N LYS A 131 -12.234 -9.996 0.040 1.00 0.00 N ATOM 839 CA LYS A 131 -11.158 -9.335 -0.674 1.00 0.00 C ATOM 840 C LYS A 131 -11.527 -7.885 -0.918 1.00 0.00 C ATOM 841 O LYS A 131 -12.706 -7.550 -1.006 1.00 0.00 O ATOM 842 CB LYS A 131 -10.905 -10.027 -2.007 1.00 0.00 C ATOM 843 CG LYS A 131 -12.113 -10.034 -2.924 1.00 0.00 C ATOM 844 CD LYS A 131 -11.806 -10.705 -4.242 1.00 0.00 C ATOM 845 CE LYS A 131 -13.018 -10.703 -5.143 1.00 0.00 C ATOM 846 NZ LYS A 131 -12.722 -11.285 -6.470 1.00 0.00 N ATOM 0 H LYS A 131 -13.161 -9.812 -0.344 1.00 0.00 H new ATOM 0 HA LYS A 131 -10.251 -9.386 -0.072 1.00 0.00 H new ATOM 0 HB2 LYS A 131 -10.077 -9.531 -2.514 1.00 0.00 H new ATOM 0 HB3 LYS A 131 -10.594 -11.055 -1.820 1.00 0.00 H new ATOM 0 HG2 LYS A 131 -12.939 -10.551 -2.435 1.00 0.00 H new ATOM 0 HG3 LYS A 131 -12.440 -9.010 -3.104 1.00 0.00 H new ATOM 0 HD2 LYS A 131 -10.981 -10.189 -4.734 1.00 0.00 H new ATOM 0 HD3 LYS A 131 -11.481 -11.730 -4.066 1.00 0.00 H new ATOM 0 HE2 LYS A 131 -13.822 -11.267 -4.671 1.00 0.00 H new ATOM 0 HE3 LYS A 131 -13.376 -9.681 -5.267 1.00 0.00 H new ATOM 0 HZ1 LYS A 131 -13.580 -11.265 -7.057 1.00 0.00 H new ATOM 0 HZ2 LYS A 131 -11.973 -10.732 -6.932 1.00 0.00 H new ATOM 0 HZ3 LYS A 131 -12.405 -12.269 -6.355 1.00 0.00 H new ATOM 860 N PHE A 132 -10.537 -7.036 -1.018 1.00 0.00 N ATOM 861 CA PHE A 132 -10.778 -5.623 -1.231 1.00 0.00 C ATOM 862 C PHE A 132 -10.932 -5.301 -2.725 1.00 0.00 C ATOM 863 O PHE A 132 -10.184 -5.810 -3.566 1.00 0.00 O ATOM 864 CB PHE A 132 -9.639 -4.810 -0.624 1.00 0.00 C ATOM 865 CG PHE A 132 -9.985 -3.373 -0.353 1.00 0.00 C ATOM 866 CD1 PHE A 132 -10.634 -3.017 0.816 1.00 0.00 C ATOM 867 CD2 PHE A 132 -9.645 -2.382 -1.254 1.00 0.00 C ATOM 868 CE1 PHE A 132 -10.938 -1.699 1.082 1.00 0.00 C ATOM 869 CE2 PHE A 132 -9.948 -1.062 -0.995 1.00 0.00 C ATOM 870 CZ PHE A 132 -10.594 -0.720 0.174 1.00 0.00 C ATOM 0 H PHE A 132 -9.552 -7.294 -0.956 1.00 0.00 H new ATOM 0 HA PHE A 132 -11.713 -5.356 -0.739 1.00 0.00 H new ATOM 0 HB2 PHE A 132 -9.329 -5.280 0.310 1.00 0.00 H new ATOM 0 HB3 PHE A 132 -8.783 -4.845 -1.298 1.00 0.00 H new ATOM 0 HD1 PHE A 132 -10.906 -3.781 1.529 1.00 0.00 H new ATOM 0 HD2 PHE A 132 -9.137 -2.644 -2.170 1.00 0.00 H new ATOM 0 HE1 PHE A 132 -11.444 -1.434 1.999 1.00 0.00 H new ATOM 0 HE2 PHE A 132 -9.679 -0.296 -1.708 1.00 0.00 H new ATOM 0 HZ PHE A 132 -10.830 0.314 0.378 1.00 0.00 H new ATOM 880 N ASP A 133 -11.924 -4.480 -3.039 1.00 0.00 N ATOM 881 CA ASP A 133 -12.176 -4.044 -4.410 1.00 0.00 C ATOM 882 C ASP A 133 -11.635 -2.627 -4.614 1.00 0.00 C ATOM 883 O ASP A 133 -11.847 -1.756 -3.776 1.00 0.00 O ATOM 884 CB ASP A 133 -13.680 -4.085 -4.715 1.00 0.00 C ATOM 885 CG ASP A 133 -14.000 -3.716 -6.152 1.00 0.00 C ATOM 886 OD1 ASP A 133 -13.995 -4.620 -7.017 1.00 0.00 O ATOM 887 OD2 ASP A 133 -14.264 -2.525 -6.424 1.00 0.00 O ATOM 0 H ASP A 133 -12.576 -4.097 -2.355 1.00 0.00 H new ATOM 0 HA ASP A 133 -11.665 -4.721 -5.094 1.00 0.00 H new ATOM 0 HB2 ASP A 133 -14.061 -5.085 -4.508 1.00 0.00 H new ATOM 0 HB3 ASP A 133 -14.201 -3.401 -4.045 1.00 0.00 H new ATOM 892 N PRO A 134 -10.927 -2.381 -5.731 1.00 0.00 N ATOM 893 CA PRO A 134 -10.308 -1.075 -6.007 1.00 0.00 C ATOM 894 C PRO A 134 -11.313 0.026 -6.366 1.00 0.00 C ATOM 895 O PRO A 134 -11.096 1.203 -6.058 1.00 0.00 O ATOM 896 CB PRO A 134 -9.385 -1.359 -7.199 1.00 0.00 C ATOM 897 CG PRO A 134 -9.966 -2.560 -7.870 1.00 0.00 C ATOM 898 CD PRO A 134 -10.666 -3.361 -6.805 1.00 0.00 C ATOM 0 HA PRO A 134 -9.798 -0.694 -5.122 1.00 0.00 H new ATOM 0 HB2 PRO A 134 -9.348 -0.508 -7.879 1.00 0.00 H new ATOM 0 HB3 PRO A 134 -8.364 -1.548 -6.869 1.00 0.00 H new ATOM 0 HG2 PRO A 134 -10.665 -2.265 -8.653 1.00 0.00 H new ATOM 0 HG3 PRO A 134 -9.185 -3.152 -8.347 1.00 0.00 H new ATOM 0 HD2 PRO A 134 -11.592 -3.799 -7.179 1.00 0.00 H new ATOM 0 HD3 PRO A 134 -10.044 -4.184 -6.452 1.00 0.00 H new ATOM 906 N ILE A 135 -12.393 -0.349 -7.027 1.00 0.00 N ATOM 907 CA ILE A 135 -13.390 0.610 -7.463 1.00 0.00 C ATOM 908 C ILE A 135 -14.344 0.985 -6.333 1.00 0.00 C ATOM 909 O ILE A 135 -14.500 2.167 -6.015 1.00 0.00 O ATOM 910 CB ILE A 135 -14.182 0.097 -8.707 1.00 0.00 C ATOM 911 CG1 ILE A 135 -13.325 0.208 -9.984 1.00 0.00 C ATOM 912 CG2 ILE A 135 -15.487 0.870 -8.887 1.00 0.00 C ATOM 913 CD1 ILE A 135 -12.040 -0.596 -9.968 1.00 0.00 C ATOM 0 H ILE A 135 -12.602 -1.316 -7.274 1.00 0.00 H new ATOM 0 HA ILE A 135 -12.851 1.510 -7.759 1.00 0.00 H new ATOM 0 HB ILE A 135 -14.423 -0.952 -8.534 1.00 0.00 H new ATOM 0 HG12 ILE A 135 -13.926 -0.113 -10.835 1.00 0.00 H new ATOM 0 HG13 ILE A 135 -13.077 1.257 -10.146 1.00 0.00 H new ATOM 0 HG21 ILE A 135 -16.017 0.491 -9.761 1.00 0.00 H new ATOM 0 HG22 ILE A 135 -16.110 0.743 -8.002 1.00 0.00 H new ATOM 0 HG23 ILE A 135 -15.267 1.928 -9.027 1.00 0.00 H new ATOM 0 HD11 ILE A 135 -11.509 -0.452 -10.909 1.00 0.00 H new ATOM 0 HD12 ILE A 135 -11.412 -0.262 -9.142 1.00 0.00 H new ATOM 0 HD13 ILE A 135 -12.274 -1.653 -9.841 1.00 0.00 H new ATOM 925 N SER A 136 -14.974 -0.006 -5.727 1.00 0.00 N ATOM 926 CA SER A 136 -15.904 0.247 -4.640 1.00 0.00 C ATOM 927 C SER A 136 -15.164 0.655 -3.368 1.00 0.00 C ATOM 928 O SER A 136 -15.691 1.415 -2.551 1.00 0.00 O ATOM 929 CB SER A 136 -16.768 -0.984 -4.384 1.00 0.00 C ATOM 930 OG SER A 136 -17.502 -1.344 -5.548 1.00 0.00 O ATOM 0 H SER A 136 -14.859 -0.990 -5.968 1.00 0.00 H new ATOM 0 HA SER A 136 -16.551 1.074 -4.933 1.00 0.00 H new ATOM 0 HB2 SER A 136 -16.137 -1.818 -4.076 1.00 0.00 H new ATOM 0 HB3 SER A 136 -17.457 -0.785 -3.563 1.00 0.00 H new ATOM 0 HG SER A 136 -18.047 -2.137 -5.359 1.00 0.00 H new ATOM 936 N ARG A 137 -13.944 0.132 -3.212 1.00 0.00 N ATOM 937 CA ARG A 137 -13.088 0.439 -2.065 1.00 0.00 C ATOM 938 C ARG A 137 -13.656 -0.151 -0.785 1.00 0.00 C ATOM 939 O ARG A 137 -13.785 0.531 0.233 1.00 0.00 O ATOM 940 CB ARG A 137 -12.852 1.947 -1.920 1.00 0.00 C ATOM 941 CG ARG A 137 -12.037 2.543 -3.048 1.00 0.00 C ATOM 942 CD ARG A 137 -11.834 4.030 -2.858 1.00 0.00 C ATOM 943 NE ARG A 137 -10.954 4.587 -3.881 1.00 0.00 N ATOM 944 CZ ARG A 137 -10.492 5.837 -3.884 1.00 0.00 C ATOM 945 NH1 ARG A 137 -10.812 6.675 -2.904 1.00 0.00 N ATOM 946 NH2 ARG A 137 -9.707 6.247 -4.873 1.00 0.00 N ATOM 0 H ARG A 137 -13.523 -0.516 -3.878 1.00 0.00 H new ATOM 0 HA ARG A 137 -12.119 -0.025 -2.250 1.00 0.00 H new ATOM 0 HB2 ARG A 137 -13.816 2.454 -1.871 1.00 0.00 H new ATOM 0 HB3 ARG A 137 -12.343 2.138 -0.975 1.00 0.00 H new ATOM 0 HG2 ARG A 137 -11.068 2.046 -3.101 1.00 0.00 H new ATOM 0 HG3 ARG A 137 -12.540 2.362 -3.998 1.00 0.00 H new ATOM 0 HD2 ARG A 137 -12.798 4.537 -2.892 1.00 0.00 H new ATOM 0 HD3 ARG A 137 -11.410 4.217 -1.871 1.00 0.00 H new ATOM 0 HE ARG A 137 -10.673 3.976 -4.648 1.00 0.00 H new ATOM 0 HH11 ARG A 137 -11.415 6.363 -2.143 1.00 0.00 H new ATOM 0 HH12 ARG A 137 -10.455 7.630 -2.913 1.00 0.00 H new ATOM 0 HH21 ARG A 137 -9.460 5.606 -5.627 1.00 0.00 H new ATOM 0 HH22 ARG A 137 -9.351 7.203 -4.879 1.00 0.00 H new ATOM 960 N ASN A 138 -13.979 -1.422 -0.849 1.00 0.00 N ATOM 961 CA ASN A 138 -14.512 -2.155 0.283 1.00 0.00 C ATOM 962 C ASN A 138 -14.138 -3.617 0.143 1.00 0.00 C ATOM 963 O ASN A 138 -13.539 -4.007 -0.859 1.00 0.00 O ATOM 964 CB ASN A 138 -16.042 -2.014 0.356 1.00 0.00 C ATOM 965 CG ASN A 138 -16.765 -2.691 -0.806 1.00 0.00 C ATOM 966 OD1 ASN A 138 -16.248 -2.778 -1.918 1.00 0.00 O ATOM 967 ND2 ASN A 138 -17.960 -3.180 -0.548 1.00 0.00 N ATOM 0 H ASN A 138 -13.879 -1.984 -1.694 1.00 0.00 H new ATOM 0 HA ASN A 138 -14.089 -1.746 1.201 1.00 0.00 H new ATOM 0 HB2 ASN A 138 -16.395 -2.442 1.294 1.00 0.00 H new ATOM 0 HB3 ASN A 138 -16.303 -0.956 0.370 1.00 0.00 H new ATOM 0 HD21 ASN A 138 -18.488 -3.650 -1.283 1.00 0.00 H new ATOM 0 HD22 ASN A 138 -18.357 -3.089 0.387 1.00 0.00 H new ATOM 974 N CYS A 139 -14.481 -4.421 1.125 1.00 0.00 N ATOM 975 CA CYS A 139 -14.194 -5.838 1.055 1.00 0.00 C ATOM 976 C CYS A 139 -15.446 -6.616 0.694 1.00 0.00 C ATOM 977 O CYS A 139 -16.488 -6.476 1.336 1.00 0.00 O ATOM 978 CB CYS A 139 -13.614 -6.348 2.374 1.00 0.00 C ATOM 979 SG CYS A 139 -11.961 -5.703 2.773 1.00 0.00 S ATOM 0 H CYS A 139 -14.956 -4.121 1.976 1.00 0.00 H new ATOM 0 HA CYS A 139 -13.448 -5.992 0.275 1.00 0.00 H new ATOM 0 HB2 CYS A 139 -14.297 -6.085 3.182 1.00 0.00 H new ATOM 0 HB3 CYS A 139 -13.566 -7.436 2.338 1.00 0.00 H new ATOM 984 N VAL A 140 -15.339 -7.416 -0.344 1.00 0.00 N ATOM 985 CA VAL A 140 -16.443 -8.231 -0.814 1.00 0.00 C ATOM 986 C VAL A 140 -16.074 -9.705 -0.725 1.00 0.00 C ATOM 987 O VAL A 140 -14.907 -10.039 -0.519 1.00 0.00 O ATOM 988 CB VAL A 140 -16.826 -7.881 -2.276 1.00 0.00 C ATOM 989 CG1 VAL A 140 -17.276 -6.431 -2.381 1.00 0.00 C ATOM 990 CG2 VAL A 140 -15.663 -8.150 -3.225 1.00 0.00 C ATOM 0 H VAL A 140 -14.483 -7.522 -0.889 1.00 0.00 H new ATOM 0 HA VAL A 140 -17.303 -8.025 -0.177 1.00 0.00 H new ATOM 0 HB VAL A 140 -17.657 -8.522 -2.568 1.00 0.00 H new ATOM 0 HG11 VAL A 140 -17.540 -6.206 -3.414 1.00 0.00 H new ATOM 0 HG12 VAL A 140 -18.144 -6.272 -1.742 1.00 0.00 H new ATOM 0 HG13 VAL A 140 -16.466 -5.775 -2.062 1.00 0.00 H new ATOM 0 HG21 VAL A 140 -15.958 -7.896 -4.243 1.00 0.00 H new ATOM 0 HG22 VAL A 140 -14.807 -7.542 -2.933 1.00 0.00 H new ATOM 0 HG23 VAL A 140 -15.392 -9.205 -3.178 1.00 0.00 H new ATOM 1000 N LEU A 141 -17.067 -10.574 -0.857 1.00 0.00 N ATOM 1001 CA LEU A 141 -16.848 -12.022 -0.808 1.00 0.00 C ATOM 1002 C LEU A 141 -15.778 -12.436 -1.831 1.00 0.00 C ATOM 1003 O LEU A 141 -15.951 -12.256 -3.041 1.00 0.00 O ATOM 1004 CB LEU A 141 -18.176 -12.763 -1.079 1.00 0.00 C ATOM 1005 CG LEU A 141 -18.325 -14.179 -0.475 1.00 0.00 C ATOM 1006 CD1 LEU A 141 -17.315 -15.152 -1.066 1.00 0.00 C ATOM 1007 CD2 LEU A 141 -18.199 -14.133 1.042 1.00 0.00 C ATOM 0 H LEU A 141 -18.040 -10.304 -1.000 1.00 0.00 H new ATOM 0 HA LEU A 141 -16.492 -12.294 0.186 1.00 0.00 H new ATOM 0 HB2 LEU A 141 -18.991 -12.146 -0.702 1.00 0.00 H new ATOM 0 HB3 LEU A 141 -18.307 -12.839 -2.158 1.00 0.00 H new ATOM 0 HG LEU A 141 -19.321 -14.541 -0.732 1.00 0.00 H new ATOM 0 HD11 LEU A 141 -17.451 -16.136 -0.617 1.00 0.00 H new ATOM 0 HD12 LEU A 141 -17.464 -15.221 -2.144 1.00 0.00 H new ATOM 0 HD13 LEU A 141 -16.305 -14.797 -0.862 1.00 0.00 H new ATOM 0 HD21 LEU A 141 -18.307 -15.139 1.447 1.00 0.00 H new ATOM 0 HD22 LEU A 141 -17.221 -13.735 1.314 1.00 0.00 H new ATOM 0 HD23 LEU A 141 -18.979 -13.491 1.453 1.00 0.00 H new ATOM 1019 N ASP A 142 -14.674 -12.975 -1.335 1.00 0.00 N ATOM 1020 CA ASP A 142 -13.563 -13.384 -2.180 1.00 0.00 C ATOM 1021 C ASP A 142 -13.807 -14.750 -2.795 1.00 0.00 C ATOM 1022 O ASP A 142 -13.512 -15.782 -2.187 1.00 0.00 O ATOM 1023 CB ASP A 142 -12.255 -13.385 -1.373 1.00 0.00 C ATOM 1024 CG ASP A 142 -11.083 -13.998 -2.120 1.00 0.00 C ATOM 1025 OD1 ASP A 142 -10.636 -13.419 -3.124 1.00 0.00 O ATOM 1026 OD2 ASP A 142 -10.584 -15.053 -1.678 1.00 0.00 O ATOM 0 H ASP A 142 -14.524 -13.140 -0.340 1.00 0.00 H new ATOM 0 HA ASP A 142 -13.478 -12.664 -2.994 1.00 0.00 H new ATOM 0 HB2 ASP A 142 -12.005 -12.360 -1.100 1.00 0.00 H new ATOM 0 HB3 ASP A 142 -12.411 -13.934 -0.444 1.00 0.00 H new ATOM 1031 N ASN A 143 -14.385 -14.750 -3.980 1.00 0.00 N ATOM 1032 CA ASN A 143 -14.627 -15.967 -4.732 1.00 0.00 C ATOM 1033 C ASN A 143 -15.091 -15.619 -6.131 1.00 0.00 C ATOM 1034 O ASN A 143 -14.282 -15.728 -7.070 1.00 0.00 O ATOM 1035 CB ASN A 143 -15.667 -16.864 -4.044 1.00 0.00 C ATOM 1036 CG ASN A 143 -15.905 -18.162 -4.800 1.00 0.00 C ATOM 1037 OD1 ASN A 143 -15.017 -18.673 -5.482 1.00 0.00 O ATOM 1038 ND2 ASN A 143 -17.100 -18.699 -4.688 1.00 0.00 N ATOM 1039 OXT ASN A 143 -16.259 -15.211 -6.288 1.00 0.00 O ATOM 0 H ASN A 143 -14.702 -13.902 -4.451 1.00 0.00 H new ATOM 0 HA ASN A 143 -13.691 -16.523 -4.781 1.00 0.00 H new ATOM 0 HB2 ASN A 143 -15.333 -17.092 -3.032 1.00 0.00 H new ATOM 0 HB3 ASN A 143 -16.608 -16.321 -3.954 1.00 0.00 H new ATOM 0 HD21 ASN A 143 -17.316 -19.568 -5.176 1.00 0.00 H new ATOM 0 HD22 ASN A 143 -17.811 -18.246 -4.113 1.00 0.00 H new TER 1046 ASN A 143