USER MOD reduce.3.24.130724 H: found=0, std=0, add=723, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 716 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 Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 39:sc= 0.528 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 HIS : no HD1:sc= -0.0143 X(o=-0.014,f=-0.14) USER MOD Single : A 17 HIS : no HD1:sc= -1.82! C(o=-1.8!,f=-2.7!) USER MOD Single : A 21 GLN : amide:sc= 0 X(o=0,f=-0.24) USER MOD Single : A 25 CYS SG : rot -90:sc= 0.752 USER MOD Single : A 32 CYS SG : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 49 HIS : no HD1:sc= -0.0113 X(o=-0.011,f=0) USER MOD Single : A 55 ASN : amide:sc= -6.2 K(o=-6.2,f=-9!) USER MOD Single : A 57 GLN : amide:sc= -0.145 K(o=-0.14,f=-1.7!) USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 62 THR OG1 : rot 180:sc=-0.00242 USER MOD Single : A 64 HIS : no HD1:sc= -7! C(o=-7!,f=-8.9!) USER MOD Single : A 72 THR OG1 : rot 89:sc= 1.07 USER MOD Single : A 75 TYR OH : rot 75:sc= 0.566 USER MOD Single : A 79 HIS : no HD1:sc= -2.41! C(o=-2.4!,f=-6.5!) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 THR OG1 : rot -13:sc= 0.437 USER MOD Single : A 83 MET CE :methyl 160:sc= -2.92! (180deg=-4.11!) USER MOD Single : A 87 THR OG1 : rot 180:sc= -0.348 USER MOD Single : A 88 TYR OH : rot -99:sc= -5.31! USER MOD Single : A 92 THR OG1 : rot 180:sc= 0 USER MOD Single : A 94 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -1.130 20.077 -17.461 1.00 0.00 N ATOM 2 CA GLY A 1 -2.037 19.220 -16.721 1.00 0.00 C ATOM 3 C GLY A 1 -2.157 19.623 -15.265 1.00 0.00 C ATOM 4 O GLY A 1 -1.155 19.720 -14.556 1.00 0.00 O ATOM 0 H1 GLY A 1 -1.083 19.760 -18.450 1.00 0.00 H new ATOM 0 H2 GLY A 1 -1.474 21.058 -17.428 1.00 0.00 H new ATOM 0 H3 GLY A 1 -0.182 20.028 -17.036 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -3.022 19.252 -17.186 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -1.689 18.189 -16.782 1.00 0.00 H new ATOM 8 N SER A 2 -3.385 19.859 -14.816 1.00 0.00 N ATOM 9 CA SER A 2 -3.632 20.259 -13.436 1.00 0.00 C ATOM 10 C SER A 2 -4.656 19.339 -12.778 1.00 0.00 C ATOM 11 O SER A 2 -5.545 19.795 -12.059 1.00 0.00 O ATOM 12 CB SER A 2 -4.122 21.707 -13.382 1.00 0.00 C ATOM 13 OG SER A 2 -3.034 22.615 -13.410 1.00 0.00 O ATOM 0 H SER A 2 -4.225 19.780 -15.389 1.00 0.00 H new ATOM 0 HA SER A 2 -2.693 20.180 -12.888 1.00 0.00 H new ATOM 0 HB2 SER A 2 -4.784 21.902 -14.226 1.00 0.00 H new ATOM 0 HB3 SER A 2 -4.707 21.863 -12.475 1.00 0.00 H new ATOM 0 HG SER A 2 -3.374 23.534 -13.376 1.00 0.00 H new ATOM 19 N SER A 3 -4.525 18.041 -13.031 1.00 0.00 N ATOM 20 CA SER A 3 -5.440 17.056 -12.468 1.00 0.00 C ATOM 21 C SER A 3 -4.965 16.596 -11.093 1.00 0.00 C ATOM 22 O SER A 3 -3.901 16.999 -10.625 1.00 0.00 O ATOM 23 CB SER A 3 -5.569 15.853 -13.404 1.00 0.00 C ATOM 24 OG SER A 3 -6.227 16.211 -14.607 1.00 0.00 O ATOM 0 H SER A 3 -3.793 17.647 -13.623 1.00 0.00 H new ATOM 0 HA SER A 3 -6.417 17.527 -12.357 1.00 0.00 H new ATOM 0 HB2 SER A 3 -4.579 15.457 -13.631 1.00 0.00 H new ATOM 0 HB3 SER A 3 -6.123 15.058 -12.905 1.00 0.00 H new ATOM 0 HG SER A 3 -6.295 15.425 -15.189 1.00 0.00 H new ATOM 30 N GLY A 4 -5.762 15.747 -10.451 1.00 0.00 N ATOM 31 CA GLY A 4 -5.407 15.246 -9.136 1.00 0.00 C ATOM 32 C GLY A 4 -5.044 13.774 -9.156 1.00 0.00 C ATOM 33 O GLY A 4 -3.941 13.406 -9.559 1.00 0.00 O ATOM 0 H GLY A 4 -6.647 15.397 -10.818 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -4.566 15.819 -8.747 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -6.242 15.402 -8.453 1.00 0.00 H new ATOM 37 N SER A 5 -5.973 12.931 -8.717 1.00 0.00 N ATOM 38 CA SER A 5 -5.742 11.492 -8.681 1.00 0.00 C ATOM 39 C SER A 5 -6.393 10.807 -9.879 1.00 0.00 C ATOM 40 O SER A 5 -7.613 10.643 -9.927 1.00 0.00 O ATOM 41 CB SER A 5 -6.289 10.899 -7.381 1.00 0.00 C ATOM 42 OG SER A 5 -7.660 11.219 -7.211 1.00 0.00 O ATOM 0 H SER A 5 -6.892 13.220 -8.382 1.00 0.00 H new ATOM 0 HA SER A 5 -4.667 11.320 -8.726 1.00 0.00 H new ATOM 0 HB2 SER A 5 -6.164 9.816 -7.391 1.00 0.00 H new ATOM 0 HB3 SER A 5 -5.716 11.279 -6.535 1.00 0.00 H new ATOM 0 HG SER A 5 -8.117 11.169 -8.076 1.00 0.00 H new ATOM 48 N SER A 6 -5.571 10.408 -10.843 1.00 0.00 N ATOM 49 CA SER A 6 -6.066 9.744 -12.044 1.00 0.00 C ATOM 50 C SER A 6 -5.141 8.601 -12.453 1.00 0.00 C ATOM 51 O SER A 6 -3.921 8.755 -12.482 1.00 0.00 O ATOM 52 CB SER A 6 -6.193 10.748 -13.191 1.00 0.00 C ATOM 53 OG SER A 6 -6.935 11.887 -12.792 1.00 0.00 O ATOM 0 H SER A 6 -4.559 10.533 -10.817 1.00 0.00 H new ATOM 0 HA SER A 6 -7.050 9.330 -11.822 1.00 0.00 H new ATOM 0 HB2 SER A 6 -5.201 11.054 -13.522 1.00 0.00 H new ATOM 0 HB3 SER A 6 -6.680 10.273 -14.042 1.00 0.00 H new ATOM 0 HG SER A 6 -7.001 12.514 -13.542 1.00 0.00 H new ATOM 59 N GLY A 7 -5.733 7.453 -12.769 1.00 0.00 N ATOM 60 CA GLY A 7 -4.948 6.301 -13.172 1.00 0.00 C ATOM 61 C GLY A 7 -4.378 5.545 -11.988 1.00 0.00 C ATOM 62 O GLY A 7 -4.631 4.352 -11.824 1.00 0.00 O ATOM 0 H GLY A 7 -6.741 7.300 -12.753 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -5.571 5.629 -13.762 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -4.132 6.628 -13.817 1.00 0.00 H new ATOM 66 N VAL A 8 -3.604 6.240 -11.161 1.00 0.00 N ATOM 67 CA VAL A 8 -2.995 5.627 -9.987 1.00 0.00 C ATOM 68 C VAL A 8 -3.720 6.042 -8.712 1.00 0.00 C ATOM 69 O VAL A 8 -3.812 7.229 -8.394 1.00 0.00 O ATOM 70 CB VAL A 8 -1.507 6.006 -9.864 1.00 0.00 C ATOM 71 CG1 VAL A 8 -0.877 5.312 -8.666 1.00 0.00 C ATOM 72 CG2 VAL A 8 -0.762 5.659 -11.144 1.00 0.00 C ATOM 0 H VAL A 8 -3.384 7.229 -11.282 1.00 0.00 H new ATOM 0 HA VAL A 8 -3.078 4.548 -10.115 1.00 0.00 H new ATOM 0 HB VAL A 8 -1.435 7.083 -9.709 1.00 0.00 H new ATOM 0 HG11 VAL A 8 0.174 5.591 -8.595 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -1.395 5.615 -7.756 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -0.958 4.232 -8.787 1.00 0.00 H new ATOM 0 HG21 VAL A 8 0.288 5.933 -11.040 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -0.840 4.588 -11.332 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -1.199 6.207 -11.979 1.00 0.00 H new ATOM 82 N THR A 9 -4.236 5.057 -7.983 1.00 0.00 N ATOM 83 CA THR A 9 -4.954 5.319 -6.743 1.00 0.00 C ATOM 84 C THR A 9 -3.989 5.534 -5.583 1.00 0.00 C ATOM 85 O THR A 9 -3.219 4.640 -5.228 1.00 0.00 O ATOM 86 CB THR A 9 -5.911 4.163 -6.393 1.00 0.00 C ATOM 87 OG1 THR A 9 -6.759 3.874 -7.509 1.00 0.00 O ATOM 88 CG2 THR A 9 -6.760 4.512 -5.180 1.00 0.00 C ATOM 0 H THR A 9 -4.169 4.070 -8.231 1.00 0.00 H new ATOM 0 HA THR A 9 -5.535 6.227 -6.901 1.00 0.00 H new ATOM 0 HB THR A 9 -5.312 3.284 -6.156 1.00 0.00 H new ATOM 0 HG1 THR A 9 -7.363 3.137 -7.279 1.00 0.00 H new ATOM 0 HG21 THR A 9 -7.428 3.681 -4.952 1.00 0.00 H new ATOM 0 HG22 THR A 9 -6.112 4.702 -4.325 1.00 0.00 H new ATOM 0 HG23 THR A 9 -7.350 5.403 -5.393 1.00 0.00 H new ATOM 96 N THR A 10 -4.034 6.725 -4.994 1.00 0.00 N ATOM 97 CA THR A 10 -3.163 7.057 -3.874 1.00 0.00 C ATOM 98 C THR A 10 -3.931 7.046 -2.558 1.00 0.00 C ATOM 99 O THR A 10 -4.947 7.726 -2.416 1.00 0.00 O ATOM 100 CB THR A 10 -2.508 8.439 -4.062 1.00 0.00 C ATOM 101 OG1 THR A 10 -1.862 8.505 -5.338 1.00 0.00 O ATOM 102 CG2 THR A 10 -1.496 8.713 -2.960 1.00 0.00 C ATOM 0 H THR A 10 -4.665 7.476 -5.274 1.00 0.00 H new ATOM 0 HA THR A 10 -2.384 6.295 -3.843 1.00 0.00 H new ATOM 0 HB THR A 10 -3.290 9.197 -4.011 1.00 0.00 H new ATOM 0 HG1 THR A 10 -1.450 9.387 -5.451 1.00 0.00 H new ATOM 0 HG21 THR A 10 -1.047 9.694 -3.114 1.00 0.00 H new ATOM 0 HG22 THR A 10 -1.997 8.691 -1.992 1.00 0.00 H new ATOM 0 HG23 THR A 10 -0.718 7.950 -2.983 1.00 0.00 H new ATOM 110 N ALA A 11 -3.439 6.271 -1.597 1.00 0.00 N ATOM 111 CA ALA A 11 -4.079 6.175 -0.291 1.00 0.00 C ATOM 112 C ALA A 11 -3.094 6.500 0.828 1.00 0.00 C ATOM 113 O ALA A 11 -1.895 6.248 0.705 1.00 0.00 O ATOM 114 CB ALA A 11 -4.666 4.786 -0.092 1.00 0.00 C ATOM 0 H ALA A 11 -2.599 5.701 -1.698 1.00 0.00 H new ATOM 0 HA ALA A 11 -4.886 6.907 -0.254 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -5.141 4.729 0.887 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -5.407 4.590 -0.867 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -3.871 4.043 -0.154 1.00 0.00 H new ATOM 120 N ILE A 12 -3.608 7.060 1.918 1.00 0.00 N ATOM 121 CA ILE A 12 -2.773 7.419 3.058 1.00 0.00 C ATOM 122 C ILE A 12 -3.277 6.760 4.337 1.00 0.00 C ATOM 123 O ILE A 12 -4.476 6.763 4.618 1.00 0.00 O ATOM 124 CB ILE A 12 -2.727 8.944 3.264 1.00 0.00 C ATOM 125 CG1 ILE A 12 -2.274 9.641 1.979 1.00 0.00 C ATOM 126 CG2 ILE A 12 -1.800 9.295 4.417 1.00 0.00 C ATOM 127 CD1 ILE A 12 -2.787 11.058 1.846 1.00 0.00 C ATOM 0 H ILE A 12 -4.598 7.275 2.036 1.00 0.00 H new ATOM 0 HA ILE A 12 -1.768 7.060 2.838 1.00 0.00 H new ATOM 0 HB ILE A 12 -3.730 9.292 3.510 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -1.185 9.653 1.947 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -2.612 9.059 1.121 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -1.778 10.377 4.550 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -2.162 8.824 5.331 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -0.794 8.936 4.198 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -2.426 11.489 0.912 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -3.877 11.052 1.846 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -2.428 11.655 2.684 1.00 0.00 H new ATOM 139 N ILE A 13 -2.354 6.196 5.109 1.00 0.00 N ATOM 140 CA ILE A 13 -2.705 5.536 6.360 1.00 0.00 C ATOM 141 C ILE A 13 -2.114 6.275 7.556 1.00 0.00 C ATOM 142 O ILE A 13 -1.078 6.932 7.444 1.00 0.00 O ATOM 143 CB ILE A 13 -2.217 4.075 6.381 1.00 0.00 C ATOM 144 CG1 ILE A 13 -2.512 3.396 5.042 1.00 0.00 C ATOM 145 CG2 ILE A 13 -2.874 3.314 7.523 1.00 0.00 C ATOM 146 CD1 ILE A 13 -3.960 2.991 4.876 1.00 0.00 C ATOM 0 H ILE A 13 -1.358 6.183 4.890 1.00 0.00 H new ATOM 0 HA ILE A 13 -3.793 5.549 6.430 1.00 0.00 H new ATOM 0 HB ILE A 13 -1.139 4.070 6.539 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -2.237 4.072 4.233 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -1.882 2.511 4.946 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -2.519 2.283 7.525 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -2.618 3.788 8.471 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -3.956 3.325 7.393 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -4.096 2.516 3.904 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -4.234 2.290 5.664 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -4.595 3.875 4.940 1.00 0.00 H new ATOM 158 N HIS A 14 -2.779 6.162 8.702 1.00 0.00 N ATOM 159 CA HIS A 14 -2.318 6.817 9.921 1.00 0.00 C ATOM 160 C HIS A 14 -1.823 5.791 10.936 1.00 0.00 C ATOM 161 O HIS A 14 -2.618 5.098 11.570 1.00 0.00 O ATOM 162 CB HIS A 14 -3.443 7.654 10.531 1.00 0.00 C ATOM 163 CG HIS A 14 -3.716 8.925 9.786 1.00 0.00 C ATOM 164 ND1 HIS A 14 -2.731 9.832 9.459 1.00 0.00 N ATOM 165 CD2 HIS A 14 -4.872 9.436 9.303 1.00 0.00 C ATOM 166 CE1 HIS A 14 -3.269 10.848 8.808 1.00 0.00 C ATOM 167 NE2 HIS A 14 -4.568 10.632 8.699 1.00 0.00 N ATOM 0 H HIS A 14 -3.638 5.623 8.812 1.00 0.00 H new ATOM 0 HA HIS A 14 -1.487 7.473 9.660 1.00 0.00 H new ATOM 0 HB2 HIS A 14 -4.354 7.057 10.560 1.00 0.00 H new ATOM 0 HB3 HIS A 14 -3.187 7.895 11.563 1.00 0.00 H new ATOM 0 HD2 HIS A 14 -5.851 8.987 9.378 1.00 0.00 H new ATOM 0 HE1 HIS A 14 -2.738 11.709 8.429 1.00 0.00 H new ATOM 0 HE2 HIS A 14 -5.236 11.252 8.241 1.00 0.00 H new ATOM 175 N ARG A 15 -0.505 5.700 11.083 1.00 0.00 N ATOM 176 CA ARG A 15 0.095 4.757 12.019 1.00 0.00 C ATOM 177 C ARG A 15 0.857 5.493 13.118 1.00 0.00 C ATOM 178 O ARG A 15 2.059 5.738 13.017 1.00 0.00 O ATOM 179 CB ARG A 15 1.037 3.804 11.282 1.00 0.00 C ATOM 180 CG ARG A 15 0.397 3.119 10.085 1.00 0.00 C ATOM 181 CD ARG A 15 1.334 2.097 9.461 1.00 0.00 C ATOM 182 NE ARG A 15 1.696 1.040 10.401 1.00 0.00 N ATOM 183 CZ ARG A 15 2.694 1.141 11.272 1.00 0.00 C ATOM 184 NH1 ARG A 15 3.426 2.245 11.321 1.00 0.00 N ATOM 185 NH2 ARG A 15 2.962 0.135 12.095 1.00 0.00 N ATOM 0 H ARG A 15 0.167 6.267 10.566 1.00 0.00 H new ATOM 0 HA ARG A 15 -0.707 4.180 12.480 1.00 0.00 H new ATOM 0 HB2 ARG A 15 1.913 4.360 10.947 1.00 0.00 H new ATOM 0 HB3 ARG A 15 1.390 3.044 11.979 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -0.525 2.627 10.396 1.00 0.00 H new ATOM 0 HG3 ARG A 15 0.124 3.866 9.340 1.00 0.00 H new ATOM 0 HD2 ARG A 15 0.858 1.656 8.585 1.00 0.00 H new ATOM 0 HD3 ARG A 15 2.237 2.598 9.114 1.00 0.00 H new ATOM 0 HE ARG A 15 1.153 0.177 10.388 1.00 0.00 H new ATOM 0 HH11 ARG A 15 3.224 3.020 10.689 1.00 0.00 H new ATOM 0 HH12 ARG A 15 4.192 2.320 11.991 1.00 0.00 H new ATOM 0 HH21 ARG A 15 2.402 -0.716 12.059 1.00 0.00 H new ATOM 0 HH22 ARG A 15 3.728 0.213 12.763 1.00 0.00 H new ATOM 199 N PRO A 16 0.141 5.854 14.194 1.00 0.00 N ATOM 200 CA PRO A 16 0.729 6.567 15.332 1.00 0.00 C ATOM 201 C PRO A 16 1.680 5.688 16.138 1.00 0.00 C ATOM 202 O PRO A 16 2.691 6.163 16.656 1.00 0.00 O ATOM 203 CB PRO A 16 -0.489 6.951 16.176 1.00 0.00 C ATOM 204 CG PRO A 16 -1.527 5.942 15.826 1.00 0.00 C ATOM 205 CD PRO A 16 -1.296 5.594 14.382 1.00 0.00 C ATOM 0 HA PRO A 16 1.330 7.419 15.014 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -0.256 6.926 17.241 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -0.826 7.962 15.947 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -1.441 5.059 16.459 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -2.529 6.345 15.975 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -1.547 4.554 14.174 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -1.906 6.207 13.718 1.00 0.00 H new ATOM 213 N HIS A 17 1.350 4.405 16.239 1.00 0.00 N ATOM 214 CA HIS A 17 2.176 3.459 16.982 1.00 0.00 C ATOM 215 C HIS A 17 2.755 2.397 16.052 1.00 0.00 C ATOM 216 O HIS A 17 2.145 2.042 15.044 1.00 0.00 O ATOM 217 CB HIS A 17 1.357 2.793 18.088 1.00 0.00 C ATOM 218 CG HIS A 17 2.162 2.444 19.301 1.00 0.00 C ATOM 219 ND1 HIS A 17 2.526 1.152 19.617 1.00 0.00 N ATOM 220 CD2 HIS A 17 2.676 3.228 20.278 1.00 0.00 C ATOM 221 CE1 HIS A 17 3.227 1.156 20.737 1.00 0.00 C ATOM 222 NE2 HIS A 17 3.333 2.403 21.158 1.00 0.00 N ATOM 0 H HIS A 17 0.517 3.996 15.816 1.00 0.00 H new ATOM 0 HA HIS A 17 3.001 4.011 17.433 1.00 0.00 H new ATOM 0 HB2 HIS A 17 0.546 3.460 18.380 1.00 0.00 H new ATOM 0 HB3 HIS A 17 0.898 1.887 17.693 1.00 0.00 H new ATOM 0 HD2 HIS A 17 2.586 4.302 20.352 1.00 0.00 H new ATOM 0 HE1 HIS A 17 3.643 0.287 21.225 1.00 0.00 H new ATOM 0 HE2 HIS A 17 3.823 2.705 22.000 1.00 0.00 H new ATOM 230 N ALA A 18 3.936 1.896 16.397 1.00 0.00 N ATOM 231 CA ALA A 18 4.597 0.874 15.595 1.00 0.00 C ATOM 232 C ALA A 18 4.177 -0.525 16.032 1.00 0.00 C ATOM 233 O ALA A 18 4.133 -1.452 15.223 1.00 0.00 O ATOM 234 CB ALA A 18 6.108 1.027 15.686 1.00 0.00 C ATOM 0 H ALA A 18 4.455 2.181 17.227 1.00 0.00 H new ATOM 0 HA ALA A 18 4.291 1.008 14.557 1.00 0.00 H new ATOM 0 HB1 ALA A 18 6.589 0.257 15.082 1.00 0.00 H new ATOM 0 HB2 ALA A 18 6.397 2.011 15.317 1.00 0.00 H new ATOM 0 HB3 ALA A 18 6.422 0.923 16.724 1.00 0.00 H new ATOM 240 N ARG A 19 3.870 -0.670 17.317 1.00 0.00 N ATOM 241 CA ARG A 19 3.455 -1.957 17.862 1.00 0.00 C ATOM 242 C ARG A 19 1.963 -2.186 17.642 1.00 0.00 C ATOM 243 O ARG A 19 1.309 -2.875 18.424 1.00 0.00 O ATOM 244 CB ARG A 19 3.779 -2.030 19.356 1.00 0.00 C ATOM 245 CG ARG A 19 5.262 -2.179 19.651 1.00 0.00 C ATOM 246 CD ARG A 19 5.565 -1.932 21.121 1.00 0.00 C ATOM 247 NE ARG A 19 6.963 -2.201 21.445 1.00 0.00 N ATOM 248 CZ ARG A 19 7.488 -2.014 22.650 1.00 0.00 C ATOM 249 NH1 ARG A 19 6.734 -1.559 23.642 1.00 0.00 N ATOM 250 NH2 ARG A 19 8.769 -2.282 22.867 1.00 0.00 N ATOM 0 H ARG A 19 3.901 0.087 18.000 1.00 0.00 H new ATOM 0 HA ARG A 19 4.005 -2.739 17.339 1.00 0.00 H new ATOM 0 HB2 ARG A 19 3.409 -1.128 19.844 1.00 0.00 H new ATOM 0 HB3 ARG A 19 3.244 -2.872 19.794 1.00 0.00 H new ATOM 0 HG2 ARG A 19 5.590 -3.181 19.374 1.00 0.00 H new ATOM 0 HG3 ARG A 19 5.828 -1.477 19.039 1.00 0.00 H new ATOM 0 HD2 ARG A 19 5.328 -0.898 21.371 1.00 0.00 H new ATOM 0 HD3 ARG A 19 4.923 -2.564 21.735 1.00 0.00 H new ATOM 0 HE ARG A 19 7.570 -2.552 20.704 1.00 0.00 H new ATOM 0 HH11 ARG A 19 5.748 -1.352 23.480 1.00 0.00 H new ATOM 0 HH12 ARG A 19 7.140 -1.416 24.567 1.00 0.00 H new ATOM 0 HH21 ARG A 19 9.353 -2.632 22.107 1.00 0.00 H new ATOM 0 HH22 ARG A 19 9.170 -2.138 23.794 1.00 0.00 H new ATOM 264 N GLU A 20 1.431 -1.601 16.573 1.00 0.00 N ATOM 265 CA GLU A 20 0.016 -1.741 16.252 1.00 0.00 C ATOM 266 C GLU A 20 -0.170 -2.337 14.860 1.00 0.00 C ATOM 267 O GLU A 20 0.372 -1.829 13.879 1.00 0.00 O ATOM 268 CB GLU A 20 -0.685 -0.383 16.335 1.00 0.00 C ATOM 269 CG GLU A 20 -0.791 0.162 17.749 1.00 0.00 C ATOM 270 CD GLU A 20 -1.790 -0.602 18.595 1.00 0.00 C ATOM 271 OE1 GLU A 20 -1.416 -1.661 19.143 1.00 0.00 O ATOM 272 OE2 GLU A 20 -2.946 -0.143 18.710 1.00 0.00 O ATOM 0 H GLU A 20 1.958 -1.026 15.916 1.00 0.00 H new ATOM 0 HA GLU A 20 -0.430 -2.418 16.981 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -0.144 0.334 15.718 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -1.686 -0.474 15.914 1.00 0.00 H new ATOM 0 HG2 GLU A 20 0.189 0.121 18.225 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -1.082 1.212 17.709 1.00 0.00 H new ATOM 279 N GLN A 21 -0.940 -3.418 14.783 1.00 0.00 N ATOM 280 CA GLN A 21 -1.197 -4.084 13.512 1.00 0.00 C ATOM 281 C GLN A 21 -1.534 -3.070 12.424 1.00 0.00 C ATOM 282 O GLN A 21 -1.753 -1.891 12.706 1.00 0.00 O ATOM 283 CB GLN A 21 -2.340 -5.090 13.660 1.00 0.00 C ATOM 284 CG GLN A 21 -2.114 -6.108 14.766 1.00 0.00 C ATOM 285 CD GLN A 21 -3.208 -7.155 14.828 1.00 0.00 C ATOM 286 OE1 GLN A 21 -4.386 -6.851 14.636 1.00 0.00 O ATOM 287 NE2 GLN A 21 -2.825 -8.398 15.096 1.00 0.00 N ATOM 0 H GLN A 21 -1.396 -3.851 15.586 1.00 0.00 H new ATOM 0 HA GLN A 21 -0.291 -4.615 13.220 1.00 0.00 H new ATOM 0 HB2 GLN A 21 -3.265 -4.549 13.859 1.00 0.00 H new ATOM 0 HB3 GLN A 21 -2.475 -5.616 12.715 1.00 0.00 H new ATOM 0 HG2 GLN A 21 -1.154 -6.600 14.611 1.00 0.00 H new ATOM 0 HG3 GLN A 21 -2.056 -5.591 15.724 1.00 0.00 H new ATOM 0 HE21 GLN A 21 -1.838 -8.606 15.248 1.00 0.00 H new ATOM 0 HE22 GLN A 21 -3.518 -9.145 15.149 1.00 0.00 H new ATOM 296 N LEU A 22 -1.574 -3.535 11.180 1.00 0.00 N ATOM 297 CA LEU A 22 -1.885 -2.669 10.049 1.00 0.00 C ATOM 298 C LEU A 22 -3.342 -2.826 9.626 1.00 0.00 C ATOM 299 O LEU A 22 -4.048 -1.841 9.416 1.00 0.00 O ATOM 300 CB LEU A 22 -0.963 -2.985 8.870 1.00 0.00 C ATOM 301 CG LEU A 22 0.408 -2.309 8.890 1.00 0.00 C ATOM 302 CD1 LEU A 22 1.443 -3.179 8.192 1.00 0.00 C ATOM 303 CD2 LEU A 22 0.336 -0.936 8.238 1.00 0.00 C ATOM 0 H LEU A 22 -1.395 -4.507 10.929 1.00 0.00 H new ATOM 0 HA LEU A 22 -1.726 -1.637 10.360 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -0.813 -4.064 8.831 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -1.473 -2.700 7.950 1.00 0.00 H new ATOM 0 HG LEU A 22 0.713 -2.180 9.929 1.00 0.00 H new ATOM 0 HD11 LEU A 22 2.412 -2.681 8.216 1.00 0.00 H new ATOM 0 HD12 LEU A 22 1.515 -4.139 8.703 1.00 0.00 H new ATOM 0 HD13 LEU A 22 1.144 -3.340 7.156 1.00 0.00 H new ATOM 0 HD21 LEU A 22 1.321 -0.470 8.261 1.00 0.00 H new ATOM 0 HD22 LEU A 22 0.009 -1.041 7.204 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -0.374 -0.312 8.781 1.00 0.00 H new ATOM 315 N GLY A 23 -3.786 -4.074 9.505 1.00 0.00 N ATOM 316 CA GLY A 23 -5.157 -4.338 9.110 1.00 0.00 C ATOM 317 C GLY A 23 -5.254 -4.966 7.734 1.00 0.00 C ATOM 318 O GLY A 23 -6.002 -5.923 7.532 1.00 0.00 O ATOM 0 H GLY A 23 -3.221 -4.906 9.673 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -5.621 -5.000 9.841 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -5.721 -3.405 9.121 1.00 0.00 H new ATOM 322 N PHE A 24 -4.496 -4.427 6.785 1.00 0.00 N ATOM 323 CA PHE A 24 -4.502 -4.939 5.420 1.00 0.00 C ATOM 324 C PHE A 24 -3.438 -6.018 5.240 1.00 0.00 C ATOM 325 O PHE A 24 -2.289 -5.847 5.651 1.00 0.00 O ATOM 326 CB PHE A 24 -4.264 -3.802 4.424 1.00 0.00 C ATOM 327 CG PHE A 24 -2.964 -3.080 4.638 1.00 0.00 C ATOM 328 CD1 PHE A 24 -2.868 -2.058 5.568 1.00 0.00 C ATOM 329 CD2 PHE A 24 -1.837 -3.425 3.908 1.00 0.00 C ATOM 330 CE1 PHE A 24 -1.673 -1.393 5.766 1.00 0.00 C ATOM 331 CE2 PHE A 24 -0.640 -2.763 4.102 1.00 0.00 C ATOM 332 CZ PHE A 24 -0.557 -1.746 5.032 1.00 0.00 C ATOM 0 H PHE A 24 -3.870 -3.636 6.936 1.00 0.00 H new ATOM 0 HA PHE A 24 -5.480 -5.381 5.229 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -4.284 -4.206 3.412 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -5.084 -3.087 4.498 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -3.737 -1.778 6.145 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -1.895 -4.220 3.180 1.00 0.00 H new ATOM 0 HE1 PHE A 24 -1.611 -0.598 6.494 1.00 0.00 H new ATOM 0 HE2 PHE A 24 0.230 -3.041 3.526 1.00 0.00 H new ATOM 0 HZ PHE A 24 0.378 -1.228 5.185 1.00 0.00 H new ATOM 342 N CYS A 25 -3.828 -7.128 4.623 1.00 0.00 N ATOM 343 CA CYS A 25 -2.909 -8.237 4.390 1.00 0.00 C ATOM 344 C CYS A 25 -2.305 -8.157 2.991 1.00 0.00 C ATOM 345 O CYS A 25 -3.021 -8.203 1.991 1.00 0.00 O ATOM 346 CB CYS A 25 -3.631 -9.572 4.571 1.00 0.00 C ATOM 347 SG CYS A 25 -2.560 -10.923 5.117 1.00 0.00 S ATOM 0 H CYS A 25 -4.774 -7.284 4.275 1.00 0.00 H new ATOM 0 HA CYS A 25 -2.102 -8.167 5.120 1.00 0.00 H new ATOM 0 HB2 CYS A 25 -4.434 -9.443 5.297 1.00 0.00 H new ATOM 0 HB3 CYS A 25 -4.097 -9.852 3.626 1.00 0.00 H new ATOM 0 HG CYS A 25 -2.064 -11.529 4.080 1.00 0.00 H new ATOM 353 N VAL A 26 -0.983 -8.034 2.929 1.00 0.00 N ATOM 354 CA VAL A 26 -0.282 -7.947 1.653 1.00 0.00 C ATOM 355 C VAL A 26 0.521 -9.213 1.380 1.00 0.00 C ATOM 356 O VAL A 26 1.191 -9.738 2.268 1.00 0.00 O ATOM 357 CB VAL A 26 0.665 -6.733 1.615 1.00 0.00 C ATOM 358 CG1 VAL A 26 1.551 -6.785 0.380 1.00 0.00 C ATOM 359 CG2 VAL A 26 -0.129 -5.436 1.657 1.00 0.00 C ATOM 0 H VAL A 26 -0.376 -7.992 3.747 1.00 0.00 H new ATOM 0 HA VAL A 26 -1.043 -7.829 0.881 1.00 0.00 H new ATOM 0 HB VAL A 26 1.307 -6.768 2.495 1.00 0.00 H new ATOM 0 HG11 VAL A 26 2.213 -5.919 0.371 1.00 0.00 H new ATOM 0 HG12 VAL A 26 2.147 -7.697 0.398 1.00 0.00 H new ATOM 0 HG13 VAL A 26 0.929 -6.776 -0.515 1.00 0.00 H new ATOM 0 HG21 VAL A 26 0.556 -4.589 1.629 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -0.797 -5.390 0.797 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -0.716 -5.398 2.575 1.00 0.00 H new ATOM 369 N GLU A 27 0.448 -9.698 0.144 1.00 0.00 N ATOM 370 CA GLU A 27 1.169 -10.904 -0.246 1.00 0.00 C ATOM 371 C GLU A 27 1.969 -10.670 -1.524 1.00 0.00 C ATOM 372 O GLU A 27 1.401 -10.508 -2.604 1.00 0.00 O ATOM 373 CB GLU A 27 0.193 -12.065 -0.448 1.00 0.00 C ATOM 374 CG GLU A 27 -0.542 -12.470 0.819 1.00 0.00 C ATOM 375 CD GLU A 27 -1.798 -11.652 1.050 1.00 0.00 C ATOM 376 OE1 GLU A 27 -2.471 -11.306 0.057 1.00 0.00 O ATOM 377 OE2 GLU A 27 -2.107 -11.358 2.224 1.00 0.00 O ATOM 0 H GLU A 27 -0.102 -9.275 -0.603 1.00 0.00 H new ATOM 0 HA GLU A 27 1.863 -11.157 0.556 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -0.537 -11.787 -1.208 1.00 0.00 H new ATOM 0 HB3 GLU A 27 0.740 -12.926 -0.831 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -0.806 -13.526 0.760 1.00 0.00 H new ATOM 0 HG3 GLU A 27 0.124 -12.355 1.674 1.00 0.00 H new ATOM 384 N ASP A 28 3.291 -10.653 -1.392 1.00 0.00 N ATOM 385 CA ASP A 28 4.171 -10.439 -2.535 1.00 0.00 C ATOM 386 C ASP A 28 3.935 -9.064 -3.153 1.00 0.00 C ATOM 387 O ASP A 28 4.127 -8.870 -4.353 1.00 0.00 O ATOM 388 CB ASP A 28 3.951 -11.528 -3.586 1.00 0.00 C ATOM 389 CG ASP A 28 4.809 -12.753 -3.339 1.00 0.00 C ATOM 390 OD1 ASP A 28 6.046 -12.649 -3.478 1.00 0.00 O ATOM 391 OD2 ASP A 28 4.244 -13.816 -3.006 1.00 0.00 O ATOM 0 H ASP A 28 3.777 -10.785 -0.505 1.00 0.00 H new ATOM 0 HA ASP A 28 5.201 -10.487 -2.183 1.00 0.00 H new ATOM 0 HB2 ASP A 28 2.900 -11.819 -3.589 1.00 0.00 H new ATOM 0 HB3 ASP A 28 4.174 -11.125 -4.574 1.00 0.00 H new ATOM 396 N GLY A 29 3.515 -8.112 -2.325 1.00 0.00 N ATOM 397 CA GLY A 29 3.258 -6.768 -2.808 1.00 0.00 C ATOM 398 C GLY A 29 1.864 -6.615 -3.382 1.00 0.00 C ATOM 399 O GLY A 29 1.616 -5.728 -4.199 1.00 0.00 O ATOM 0 H GLY A 29 3.348 -8.248 -1.328 1.00 0.00 H new ATOM 0 HA2 GLY A 29 3.391 -6.060 -1.990 1.00 0.00 H new ATOM 0 HA3 GLY A 29 3.992 -6.513 -3.572 1.00 0.00 H new ATOM 403 N ILE A 30 0.952 -7.482 -2.956 1.00 0.00 N ATOM 404 CA ILE A 30 -0.425 -7.439 -3.433 1.00 0.00 C ATOM 405 C ILE A 30 -1.409 -7.689 -2.296 1.00 0.00 C ATOM 406 O ILE A 30 -1.429 -8.769 -1.705 1.00 0.00 O ATOM 407 CB ILE A 30 -0.667 -8.477 -4.545 1.00 0.00 C ATOM 408 CG1 ILE A 30 0.284 -8.231 -5.718 1.00 0.00 C ATOM 409 CG2 ILE A 30 -2.115 -8.426 -5.010 1.00 0.00 C ATOM 410 CD1 ILE A 30 0.073 -9.182 -6.876 1.00 0.00 C ATOM 0 H ILE A 30 1.142 -8.223 -2.281 1.00 0.00 H new ATOM 0 HA ILE A 30 -0.588 -6.440 -3.837 1.00 0.00 H new ATOM 0 HB ILE A 30 -0.469 -9.471 -4.144 1.00 0.00 H new ATOM 0 HG12 ILE A 30 0.156 -7.208 -6.071 1.00 0.00 H new ATOM 0 HG13 ILE A 30 1.312 -8.321 -5.367 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -2.271 -9.165 -5.796 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -2.775 -8.645 -4.170 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -2.338 -7.432 -5.397 1.00 0.00 H new ATOM 0 HD11 ILE A 30 0.781 -8.950 -7.671 1.00 0.00 H new ATOM 0 HD12 ILE A 30 0.230 -10.207 -6.539 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -0.944 -9.076 -7.253 1.00 0.00 H new ATOM 422 N ILE A 31 -2.226 -6.685 -1.996 1.00 0.00 N ATOM 423 CA ILE A 31 -3.215 -6.797 -0.932 1.00 0.00 C ATOM 424 C ILE A 31 -4.317 -7.782 -1.308 1.00 0.00 C ATOM 425 O ILE A 31 -4.731 -7.854 -2.466 1.00 0.00 O ATOM 426 CB ILE A 31 -3.851 -5.432 -0.608 1.00 0.00 C ATOM 427 CG1 ILE A 31 -2.764 -4.379 -0.386 1.00 0.00 C ATOM 428 CG2 ILE A 31 -4.747 -5.542 0.616 1.00 0.00 C ATOM 429 CD1 ILE A 31 -3.213 -2.970 -0.706 1.00 0.00 C ATOM 0 H ILE A 31 -2.222 -5.785 -2.475 1.00 0.00 H new ATOM 0 HA ILE A 31 -2.689 -7.162 -0.050 1.00 0.00 H new ATOM 0 HB ILE A 31 -4.463 -5.123 -1.455 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -2.436 -4.420 0.653 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -1.900 -4.625 -1.003 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -5.189 -4.569 0.832 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -5.539 -6.266 0.423 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -4.156 -5.870 1.471 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -2.392 -2.277 -0.526 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -3.513 -2.913 -1.752 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -4.058 -2.704 -0.071 1.00 0.00 H new ATOM 441 N CYS A 32 -4.789 -8.537 -0.322 1.00 0.00 N ATOM 442 CA CYS A 32 -5.845 -9.517 -0.549 1.00 0.00 C ATOM 443 C CYS A 32 -7.000 -9.307 0.425 1.00 0.00 C ATOM 444 O CYS A 32 -8.165 -9.290 0.027 1.00 0.00 O ATOM 445 CB CYS A 32 -5.292 -10.936 -0.404 1.00 0.00 C ATOM 446 SG CYS A 32 -6.465 -12.235 -0.855 1.00 0.00 S ATOM 0 H CYS A 32 -4.457 -8.489 0.641 1.00 0.00 H new ATOM 0 HA CYS A 32 -6.220 -9.382 -1.564 1.00 0.00 H new ATOM 0 HB2 CYS A 32 -4.402 -11.033 -1.026 1.00 0.00 H new ATOM 0 HB3 CYS A 32 -4.977 -11.088 0.628 1.00 0.00 H new ATOM 0 HG CYS A 32 -5.905 -13.398 -0.701 1.00 0.00 H new ATOM 452 N SER A 33 -6.670 -9.150 1.702 1.00 0.00 N ATOM 453 CA SER A 33 -7.680 -8.946 2.734 1.00 0.00 C ATOM 454 C SER A 33 -7.499 -7.592 3.412 1.00 0.00 C ATOM 455 O SER A 33 -6.435 -6.977 3.323 1.00 0.00 O ATOM 456 CB SER A 33 -7.608 -10.065 3.776 1.00 0.00 C ATOM 457 OG SER A 33 -8.277 -11.228 3.322 1.00 0.00 O ATOM 0 H SER A 33 -5.710 -9.160 2.048 1.00 0.00 H new ATOM 0 HA SER A 33 -8.660 -8.965 2.257 1.00 0.00 H new ATOM 0 HB2 SER A 33 -6.565 -10.301 3.989 1.00 0.00 H new ATOM 0 HB3 SER A 33 -8.055 -9.726 4.710 1.00 0.00 H new ATOM 0 HG SER A 33 -8.215 -11.928 4.005 1.00 0.00 H new ATOM 463 N LEU A 34 -8.545 -7.132 4.089 1.00 0.00 N ATOM 464 CA LEU A 34 -8.504 -5.850 4.783 1.00 0.00 C ATOM 465 C LEU A 34 -9.266 -5.920 6.103 1.00 0.00 C ATOM 466 O LEU A 34 -10.399 -6.401 6.153 1.00 0.00 O ATOM 467 CB LEU A 34 -9.093 -4.749 3.899 1.00 0.00 C ATOM 468 CG LEU A 34 -8.530 -3.344 4.112 1.00 0.00 C ATOM 469 CD1 LEU A 34 -8.773 -2.480 2.884 1.00 0.00 C ATOM 470 CD2 LEU A 34 -9.146 -2.703 5.347 1.00 0.00 C ATOM 0 H LEU A 34 -9.432 -7.628 4.172 1.00 0.00 H new ATOM 0 HA LEU A 34 -7.462 -5.615 4.998 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -8.938 -5.026 2.856 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -10.170 -4.716 4.064 1.00 0.00 H new ATOM 0 HG LEU A 34 -7.454 -3.425 4.268 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -8.366 -1.483 3.054 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -8.284 -2.930 2.020 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -9.844 -2.407 2.697 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -8.733 -1.703 5.482 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -10.227 -2.635 5.221 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -8.920 -3.311 6.223 1.00 0.00 H new ATOM 482 N LEU A 35 -8.638 -5.435 7.169 1.00 0.00 N ATOM 483 CA LEU A 35 -9.258 -5.440 8.490 1.00 0.00 C ATOM 484 C LEU A 35 -10.466 -4.511 8.528 1.00 0.00 C ATOM 485 O LEU A 35 -10.323 -3.288 8.492 1.00 0.00 O ATOM 486 CB LEU A 35 -8.242 -5.019 9.553 1.00 0.00 C ATOM 487 CG LEU A 35 -8.775 -4.903 10.981 1.00 0.00 C ATOM 488 CD1 LEU A 35 -8.951 -6.281 11.599 1.00 0.00 C ATOM 489 CD2 LEU A 35 -7.843 -4.051 11.830 1.00 0.00 C ATOM 0 H LEU A 35 -7.701 -5.034 7.145 1.00 0.00 H new ATOM 0 HA LEU A 35 -9.597 -6.454 8.702 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -7.423 -5.738 9.549 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -7.822 -4.056 9.264 1.00 0.00 H new ATOM 0 HG LEU A 35 -9.750 -4.416 10.946 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -9.331 -6.178 12.615 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -9.658 -6.859 11.004 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -7.990 -6.795 11.621 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -8.238 -3.979 12.843 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -6.855 -4.510 11.857 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -7.768 -3.053 11.398 1.00 0.00 H new ATOM 501 N ARG A 36 -11.656 -5.098 8.603 1.00 0.00 N ATOM 502 CA ARG A 36 -12.890 -4.322 8.648 1.00 0.00 C ATOM 503 C ARG A 36 -13.001 -3.553 9.961 1.00 0.00 C ATOM 504 O ARG A 36 -13.287 -4.130 11.008 1.00 0.00 O ATOM 505 CB ARG A 36 -14.101 -5.241 8.478 1.00 0.00 C ATOM 506 CG ARG A 36 -15.434 -4.524 8.623 1.00 0.00 C ATOM 507 CD ARG A 36 -16.603 -5.482 8.451 1.00 0.00 C ATOM 508 NE ARG A 36 -16.810 -6.310 9.636 1.00 0.00 N ATOM 509 CZ ARG A 36 -17.697 -7.296 9.698 1.00 0.00 C ATOM 510 NH1 ARG A 36 -18.455 -7.577 8.646 1.00 0.00 N ATOM 511 NH2 ARG A 36 -17.827 -8.005 10.812 1.00 0.00 N ATOM 0 H ARG A 36 -11.792 -6.108 8.634 1.00 0.00 H new ATOM 0 HA ARG A 36 -12.869 -3.604 7.828 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -14.055 -5.710 7.495 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -14.046 -6.041 9.216 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -15.490 -4.052 9.604 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -15.503 -3.728 7.882 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -17.510 -4.914 8.243 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -16.423 -6.123 7.588 1.00 0.00 H new ATOM 0 HE ARG A 36 -16.242 -6.120 10.462 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -18.357 -7.035 7.787 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -19.136 -8.335 8.696 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -17.245 -7.793 11.622 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -18.509 -8.762 10.858 1.00 0.00 H new ATOM 525 N GLY A 37 -12.772 -2.244 9.895 1.00 0.00 N ATOM 526 CA GLY A 37 -12.851 -1.417 11.085 1.00 0.00 C ATOM 527 C GLY A 37 -11.484 -1.049 11.626 1.00 0.00 C ATOM 528 O GLY A 37 -11.263 -1.063 12.836 1.00 0.00 O ATOM 0 H GLY A 37 -12.533 -1.743 9.039 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -13.405 -0.507 10.855 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -13.413 -1.946 11.855 1.00 0.00 H new ATOM 532 N GLY A 38 -10.562 -0.719 10.727 1.00 0.00 N ATOM 533 CA GLY A 38 -9.220 -0.351 11.140 1.00 0.00 C ATOM 534 C GLY A 38 -8.794 0.997 10.593 1.00 0.00 C ATOM 535 O GLY A 38 -9.623 1.888 10.405 1.00 0.00 O ATOM 0 H GLY A 38 -10.720 -0.700 9.720 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -9.171 -0.330 12.229 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -8.518 -1.114 10.804 1.00 0.00 H new ATOM 539 N ILE A 39 -7.498 1.148 10.340 1.00 0.00 N ATOM 540 CA ILE A 39 -6.964 2.397 9.813 1.00 0.00 C ATOM 541 C ILE A 39 -6.991 2.407 8.288 1.00 0.00 C ATOM 542 O ILE A 39 -7.356 3.407 7.670 1.00 0.00 O ATOM 543 CB ILE A 39 -5.520 2.638 10.290 1.00 0.00 C ATOM 544 CG1 ILE A 39 -5.352 2.165 11.736 1.00 0.00 C ATOM 545 CG2 ILE A 39 -5.159 4.111 10.165 1.00 0.00 C ATOM 546 CD1 ILE A 39 -3.913 2.147 12.202 1.00 0.00 C ATOM 0 H ILE A 39 -6.799 0.421 10.492 1.00 0.00 H new ATOM 0 HA ILE A 39 -7.601 3.196 10.191 1.00 0.00 H new ATOM 0 HB ILE A 39 -4.844 2.063 9.657 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -5.930 2.816 12.392 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -5.769 1.163 11.833 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -4.135 4.265 10.506 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -5.245 4.419 9.123 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -5.838 4.705 10.776 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -3.869 1.802 13.235 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -3.334 1.474 11.570 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -3.497 3.152 12.138 1.00 0.00 H new ATOM 558 N ALA A 40 -6.605 1.286 7.688 1.00 0.00 N ATOM 559 CA ALA A 40 -6.589 1.164 6.235 1.00 0.00 C ATOM 560 C ALA A 40 -7.907 1.634 5.630 1.00 0.00 C ATOM 561 O ALA A 40 -7.959 2.665 4.960 1.00 0.00 O ATOM 562 CB ALA A 40 -6.303 -0.275 5.830 1.00 0.00 C ATOM 0 H ALA A 40 -6.299 0.449 8.185 1.00 0.00 H new ATOM 0 HA ALA A 40 -5.795 1.803 5.850 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -6.294 -0.352 4.743 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -5.333 -0.578 6.223 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -7.077 -0.927 6.233 1.00 0.00 H new ATOM 568 N GLU A 41 -8.969 0.872 5.870 1.00 0.00 N ATOM 569 CA GLU A 41 -10.287 1.211 5.347 1.00 0.00 C ATOM 570 C GLU A 41 -10.505 2.721 5.361 1.00 0.00 C ATOM 571 O GLU A 41 -10.918 3.309 4.361 1.00 0.00 O ATOM 572 CB GLU A 41 -11.379 0.519 6.165 1.00 0.00 C ATOM 573 CG GLU A 41 -12.690 0.358 5.415 1.00 0.00 C ATOM 574 CD GLU A 41 -13.696 -0.486 6.174 1.00 0.00 C ATOM 575 OE1 GLU A 41 -13.270 -1.429 6.873 1.00 0.00 O ATOM 576 OE2 GLU A 41 -14.908 -0.204 6.068 1.00 0.00 O ATOM 0 H GLU A 41 -8.942 0.016 6.423 1.00 0.00 H new ATOM 0 HA GLU A 41 -10.341 0.863 4.316 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -11.023 -0.464 6.473 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -11.558 1.092 7.075 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -13.118 1.342 5.223 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -12.496 -0.100 4.445 1.00 0.00 H new ATOM 583 N ARG A 42 -10.226 3.343 6.502 1.00 0.00 N ATOM 584 CA ARG A 42 -10.393 4.784 6.648 1.00 0.00 C ATOM 585 C ARG A 42 -9.400 5.538 5.769 1.00 0.00 C ATOM 586 O ARG A 42 -9.728 6.575 5.193 1.00 0.00 O ATOM 587 CB ARG A 42 -10.211 5.194 8.111 1.00 0.00 C ATOM 588 CG ARG A 42 -11.316 4.694 9.026 1.00 0.00 C ATOM 589 CD ARG A 42 -10.881 4.706 10.483 1.00 0.00 C ATOM 590 NE ARG A 42 -11.887 4.112 11.360 1.00 0.00 N ATOM 591 CZ ARG A 42 -11.617 3.635 12.570 1.00 0.00 C ATOM 592 NH1 ARG A 42 -10.380 3.683 13.045 1.00 0.00 N ATOM 593 NH2 ARG A 42 -12.586 3.109 13.308 1.00 0.00 N ATOM 0 H ARG A 42 -9.883 2.871 7.339 1.00 0.00 H new ATOM 0 HA ARG A 42 -11.403 5.042 6.329 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -9.254 4.814 8.470 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -10.165 6.281 8.172 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -12.201 5.318 8.904 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -11.598 3.681 8.738 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -9.943 4.160 10.586 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -10.688 5.732 10.795 1.00 0.00 H new ATOM 0 HE ARG A 42 -12.849 4.061 11.025 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -9.632 4.087 12.481 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -10.176 3.316 13.975 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -13.539 3.071 12.946 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -12.378 2.743 14.237 1.00 0.00 H new ATOM 607 N GLY A 43 -8.184 5.011 5.672 1.00 0.00 N ATOM 608 CA GLY A 43 -7.161 5.648 4.863 1.00 0.00 C ATOM 609 C GLY A 43 -7.522 5.678 3.391 1.00 0.00 C ATOM 610 O GLY A 43 -7.411 6.714 2.738 1.00 0.00 O ATOM 0 H GLY A 43 -7.888 4.154 6.139 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -7.005 6.667 5.217 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -6.217 5.118 4.992 1.00 0.00 H new ATOM 614 N GLY A 44 -7.955 4.535 2.866 1.00 0.00 N ATOM 615 CA GLY A 44 -8.325 4.456 1.465 1.00 0.00 C ATOM 616 C GLY A 44 -7.723 3.249 0.774 1.00 0.00 C ATOM 617 O GLY A 44 -7.489 3.270 -0.435 1.00 0.00 O ATOM 0 H GLY A 44 -8.056 3.663 3.386 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -9.411 4.415 1.381 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -8.000 5.363 0.955 1.00 0.00 H new ATOM 621 N ILE A 45 -7.471 2.194 1.542 1.00 0.00 N ATOM 622 CA ILE A 45 -6.892 0.973 0.995 1.00 0.00 C ATOM 623 C ILE A 45 -7.958 0.108 0.331 1.00 0.00 C ATOM 624 O ILE A 45 -9.090 0.024 0.809 1.00 0.00 O ATOM 625 CB ILE A 45 -6.185 0.148 2.087 1.00 0.00 C ATOM 626 CG1 ILE A 45 -5.180 1.019 2.844 1.00 0.00 C ATOM 627 CG2 ILE A 45 -5.491 -1.059 1.472 1.00 0.00 C ATOM 628 CD1 ILE A 45 -4.056 1.538 1.975 1.00 0.00 C ATOM 0 H ILE A 45 -7.659 2.160 2.544 1.00 0.00 H new ATOM 0 HA ILE A 45 -6.159 1.278 0.249 1.00 0.00 H new ATOM 0 HB ILE A 45 -6.933 -0.209 2.795 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -5.706 1.865 3.287 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -4.756 0.441 3.665 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -4.996 -1.632 2.256 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -6.229 -1.688 0.973 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -4.751 -0.722 0.746 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -3.382 2.147 2.577 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -3.505 0.698 1.552 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -4.469 2.144 1.169 1.00 0.00 H new ATOM 640 N ARG A 46 -7.589 -0.534 -0.772 1.00 0.00 N ATOM 641 CA ARG A 46 -8.514 -1.393 -1.502 1.00 0.00 C ATOM 642 C ARG A 46 -7.833 -2.693 -1.920 1.00 0.00 C ATOM 643 O ARG A 46 -6.920 -2.691 -2.746 1.00 0.00 O ATOM 644 CB ARG A 46 -9.052 -0.667 -2.736 1.00 0.00 C ATOM 645 CG ARG A 46 -10.276 0.189 -2.454 1.00 0.00 C ATOM 646 CD ARG A 46 -11.555 -0.632 -2.508 1.00 0.00 C ATOM 647 NE ARG A 46 -12.747 0.210 -2.472 1.00 0.00 N ATOM 648 CZ ARG A 46 -13.969 -0.234 -2.748 1.00 0.00 C ATOM 649 NH1 ARG A 46 -14.157 -1.504 -3.078 1.00 0.00 N ATOM 650 NH2 ARG A 46 -15.005 0.594 -2.693 1.00 0.00 N ATOM 0 H ARG A 46 -6.656 -0.476 -1.180 1.00 0.00 H new ATOM 0 HA ARG A 46 -9.346 -1.635 -0.840 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -8.265 -0.036 -3.148 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -9.302 -1.403 -3.500 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -10.180 0.650 -1.471 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -10.331 0.998 -3.182 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -11.562 -1.232 -3.418 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -11.576 -1.326 -1.668 1.00 0.00 H new ATOM 0 HE ARG A 46 -12.636 1.192 -2.221 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -13.363 -2.143 -3.121 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -15.096 -1.842 -3.289 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -14.864 1.572 -2.439 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -15.943 0.253 -2.905 1.00 0.00 H new ATOM 664 N VAL A 47 -8.283 -3.803 -1.343 1.00 0.00 N ATOM 665 CA VAL A 47 -7.718 -5.110 -1.655 1.00 0.00 C ATOM 666 C VAL A 47 -7.752 -5.379 -3.156 1.00 0.00 C ATOM 667 O VAL A 47 -8.506 -4.746 -3.893 1.00 0.00 O ATOM 668 CB VAL A 47 -8.473 -6.237 -0.926 1.00 0.00 C ATOM 669 CG1 VAL A 47 -8.351 -6.072 0.582 1.00 0.00 C ATOM 670 CG2 VAL A 47 -9.933 -6.263 -1.352 1.00 0.00 C ATOM 0 H VAL A 47 -9.037 -3.823 -0.657 1.00 0.00 H new ATOM 0 HA VAL A 47 -6.683 -5.097 -1.314 1.00 0.00 H new ATOM 0 HB VAL A 47 -8.022 -7.190 -1.201 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -8.891 -6.877 1.081 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -7.300 -6.108 0.868 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -8.775 -5.113 0.879 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -10.451 -7.066 -0.827 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -10.400 -5.309 -1.108 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -9.995 -6.433 -2.427 1.00 0.00 H new ATOM 680 N GLY A 48 -6.929 -6.324 -3.601 1.00 0.00 N ATOM 681 CA GLY A 48 -6.881 -6.661 -5.012 1.00 0.00 C ATOM 682 C GLY A 48 -5.960 -5.746 -5.795 1.00 0.00 C ATOM 683 O GLY A 48 -5.631 -6.025 -6.948 1.00 0.00 O ATOM 0 H GLY A 48 -6.295 -6.862 -3.010 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -6.546 -7.692 -5.125 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -7.886 -6.605 -5.430 1.00 0.00 H new ATOM 687 N HIS A 49 -5.545 -4.650 -5.169 1.00 0.00 N ATOM 688 CA HIS A 49 -4.658 -3.690 -5.816 1.00 0.00 C ATOM 689 C HIS A 49 -3.202 -3.964 -5.451 1.00 0.00 C ATOM 690 O HIS A 49 -2.873 -4.169 -4.283 1.00 0.00 O ATOM 691 CB HIS A 49 -5.036 -2.263 -5.415 1.00 0.00 C ATOM 692 CG HIS A 49 -6.254 -1.747 -6.117 1.00 0.00 C ATOM 693 ND1 HIS A 49 -6.379 -0.444 -6.548 1.00 0.00 N ATOM 694 CD2 HIS A 49 -7.406 -2.369 -6.464 1.00 0.00 C ATOM 695 CE1 HIS A 49 -7.556 -0.284 -7.127 1.00 0.00 C ATOM 696 NE2 HIS A 49 -8.198 -1.438 -7.090 1.00 0.00 N ATOM 0 H HIS A 49 -5.808 -4.404 -4.215 1.00 0.00 H new ATOM 0 HA HIS A 49 -4.771 -3.798 -6.895 1.00 0.00 H new ATOM 0 HB2 HIS A 49 -5.205 -2.229 -4.339 1.00 0.00 H new ATOM 0 HB3 HIS A 49 -4.197 -1.600 -5.626 1.00 0.00 H new ATOM 0 HD2 HIS A 49 -7.655 -3.404 -6.282 1.00 0.00 H new ATOM 0 HE1 HIS A 49 -7.929 0.634 -7.557 1.00 0.00 H new ATOM 0 HE2 HIS A 49 -9.131 -1.610 -7.466 1.00 0.00 H new ATOM 704 N ARG A 50 -2.335 -3.968 -6.458 1.00 0.00 N ATOM 705 CA ARG A 50 -0.915 -4.219 -6.243 1.00 0.00 C ATOM 706 C ARG A 50 -0.187 -2.934 -5.862 1.00 0.00 C ATOM 707 O ARG A 50 -0.492 -1.859 -6.380 1.00 0.00 O ATOM 708 CB ARG A 50 -0.286 -4.820 -7.501 1.00 0.00 C ATOM 709 CG ARG A 50 1.227 -4.952 -7.423 1.00 0.00 C ATOM 710 CD ARG A 50 1.730 -6.109 -8.272 1.00 0.00 C ATOM 711 NE ARG A 50 3.043 -6.576 -7.837 1.00 0.00 N ATOM 712 CZ ARG A 50 4.174 -5.922 -8.081 1.00 0.00 C ATOM 713 NH1 ARG A 50 4.151 -4.779 -8.752 1.00 0.00 N ATOM 714 NH2 ARG A 50 5.330 -6.412 -7.652 1.00 0.00 N ATOM 0 H ARG A 50 -2.591 -3.800 -7.431 1.00 0.00 H new ATOM 0 HA ARG A 50 -0.818 -4.928 -5.421 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -0.719 -5.804 -7.679 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -0.544 -4.198 -8.358 1.00 0.00 H new ATOM 0 HG2 ARG A 50 1.692 -4.025 -7.758 1.00 0.00 H new ATOM 0 HG3 ARG A 50 1.527 -5.103 -6.386 1.00 0.00 H new ATOM 0 HD2 ARG A 50 1.017 -6.932 -8.222 1.00 0.00 H new ATOM 0 HD3 ARG A 50 1.783 -5.797 -9.315 1.00 0.00 H new ATOM 0 HE ARG A 50 3.095 -7.452 -7.317 1.00 0.00 H new ATOM 0 HH11 ARG A 50 3.264 -4.399 -9.082 1.00 0.00 H new ATOM 0 HH12 ARG A 50 5.020 -4.279 -8.938 1.00 0.00 H new ATOM 0 HH21 ARG A 50 5.351 -7.291 -7.135 1.00 0.00 H new ATOM 0 HH22 ARG A 50 6.198 -5.910 -7.839 1.00 0.00 H new ATOM 728 N ILE A 51 0.776 -3.052 -4.954 1.00 0.00 N ATOM 729 CA ILE A 51 1.547 -1.900 -4.504 1.00 0.00 C ATOM 730 C ILE A 51 2.744 -1.650 -5.415 1.00 0.00 C ATOM 731 O ILE A 51 3.465 -2.580 -5.779 1.00 0.00 O ATOM 732 CB ILE A 51 2.046 -2.086 -3.059 1.00 0.00 C ATOM 733 CG1 ILE A 51 0.867 -2.338 -2.118 1.00 0.00 C ATOM 734 CG2 ILE A 51 2.838 -0.866 -2.611 1.00 0.00 C ATOM 735 CD1 ILE A 51 -0.114 -1.188 -2.057 1.00 0.00 C ATOM 0 H ILE A 51 1.041 -3.934 -4.516 1.00 0.00 H new ATOM 0 HA ILE A 51 0.879 -1.039 -4.541 1.00 0.00 H new ATOM 0 HB ILE A 51 2.704 -2.954 -3.026 1.00 0.00 H new ATOM 0 HG12 ILE A 51 0.341 -3.237 -2.440 1.00 0.00 H new ATOM 0 HG13 ILE A 51 1.248 -2.534 -1.116 1.00 0.00 H new ATOM 0 HG21 ILE A 51 3.184 -1.012 -1.588 1.00 0.00 H new ATOM 0 HG22 ILE A 51 3.697 -0.728 -3.268 1.00 0.00 H new ATOM 0 HG23 ILE A 51 2.201 0.018 -2.656 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -0.924 -1.436 -1.371 1.00 0.00 H new ATOM 0 HD12 ILE A 51 0.397 -0.292 -1.706 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -0.524 -1.006 -3.051 1.00 0.00 H new ATOM 747 N ILE A 52 2.951 -0.389 -5.779 1.00 0.00 N ATOM 748 CA ILE A 52 4.062 -0.017 -6.645 1.00 0.00 C ATOM 749 C ILE A 52 4.944 1.038 -5.986 1.00 0.00 C ATOM 750 O ILE A 52 6.074 1.272 -6.413 1.00 0.00 O ATOM 751 CB ILE A 52 3.565 0.521 -8.000 1.00 0.00 C ATOM 752 CG1 ILE A 52 2.707 1.771 -7.794 1.00 0.00 C ATOM 753 CG2 ILE A 52 2.778 -0.552 -8.739 1.00 0.00 C ATOM 754 CD1 ILE A 52 2.392 2.507 -9.078 1.00 0.00 C ATOM 0 H ILE A 52 2.364 0.392 -5.487 1.00 0.00 H new ATOM 0 HA ILE A 52 4.646 -0.922 -6.814 1.00 0.00 H new ATOM 0 HB ILE A 52 4.430 0.793 -8.606 1.00 0.00 H new ATOM 0 HG12 ILE A 52 1.773 1.485 -7.310 1.00 0.00 H new ATOM 0 HG13 ILE A 52 3.224 2.448 -7.114 1.00 0.00 H new ATOM 0 HG21 ILE A 52 2.433 -0.157 -9.695 1.00 0.00 H new ATOM 0 HG22 ILE A 52 3.418 -1.417 -8.913 1.00 0.00 H new ATOM 0 HG23 ILE A 52 1.919 -0.851 -8.139 1.00 0.00 H new ATOM 0 HD11 ILE A 52 1.781 3.382 -8.855 1.00 0.00 H new ATOM 0 HD12 ILE A 52 3.320 2.824 -9.553 1.00 0.00 H new ATOM 0 HD13 ILE A 52 1.847 1.846 -9.752 1.00 0.00 H new ATOM 766 N GLU A 53 4.419 1.671 -4.941 1.00 0.00 N ATOM 767 CA GLU A 53 5.160 2.701 -4.221 1.00 0.00 C ATOM 768 C GLU A 53 4.660 2.827 -2.785 1.00 0.00 C ATOM 769 O GLU A 53 3.467 2.681 -2.517 1.00 0.00 O ATOM 770 CB GLU A 53 5.032 4.047 -4.938 1.00 0.00 C ATOM 771 CG GLU A 53 6.140 5.027 -4.593 1.00 0.00 C ATOM 772 CD GLU A 53 6.079 6.293 -5.425 1.00 0.00 C ATOM 773 OE1 GLU A 53 5.792 6.194 -6.636 1.00 0.00 O ATOM 774 OE2 GLU A 53 6.318 7.383 -4.864 1.00 0.00 O ATOM 0 H GLU A 53 3.485 1.489 -4.574 1.00 0.00 H new ATOM 0 HA GLU A 53 6.210 2.409 -4.197 1.00 0.00 H new ATOM 0 HB2 GLU A 53 5.031 3.877 -6.015 1.00 0.00 H new ATOM 0 HB3 GLU A 53 4.071 4.494 -4.685 1.00 0.00 H new ATOM 0 HG2 GLU A 53 6.074 5.287 -3.537 1.00 0.00 H new ATOM 0 HG3 GLU A 53 7.106 4.545 -4.742 1.00 0.00 H new ATOM 781 N ILE A 54 5.581 3.099 -1.866 1.00 0.00 N ATOM 782 CA ILE A 54 5.234 3.245 -0.458 1.00 0.00 C ATOM 783 C ILE A 54 6.100 4.305 0.214 1.00 0.00 C ATOM 784 O ILE A 54 7.290 4.423 -0.075 1.00 0.00 O ATOM 785 CB ILE A 54 5.390 1.914 0.301 1.00 0.00 C ATOM 786 CG1 ILE A 54 6.863 1.502 0.356 1.00 0.00 C ATOM 787 CG2 ILE A 54 4.555 0.827 -0.358 1.00 0.00 C ATOM 788 CD1 ILE A 54 7.599 2.048 1.560 1.00 0.00 C ATOM 0 H ILE A 54 6.572 3.223 -2.071 1.00 0.00 H new ATOM 0 HA ILE A 54 4.190 3.555 -0.421 1.00 0.00 H new ATOM 0 HB ILE A 54 5.032 2.051 1.321 1.00 0.00 H new ATOM 0 HG12 ILE A 54 6.927 0.414 0.364 1.00 0.00 H new ATOM 0 HG13 ILE A 54 7.362 1.845 -0.551 1.00 0.00 H new ATOM 0 HG21 ILE A 54 4.676 -0.107 0.190 1.00 0.00 H new ATOM 0 HG22 ILE A 54 3.505 1.119 -0.349 1.00 0.00 H new ATOM 0 HG23 ILE A 54 4.885 0.689 -1.388 1.00 0.00 H new ATOM 0 HD11 ILE A 54 8.637 1.716 1.533 1.00 0.00 H new ATOM 0 HD12 ILE A 54 7.566 3.137 1.543 1.00 0.00 H new ATOM 0 HD13 ILE A 54 7.125 1.685 2.472 1.00 0.00 H new ATOM 800 N ASN A 55 5.494 5.074 1.113 1.00 0.00 N ATOM 801 CA ASN A 55 6.210 6.125 1.827 1.00 0.00 C ATOM 802 C ASN A 55 7.229 6.804 0.918 1.00 0.00 C ATOM 803 O ASN A 55 8.327 7.152 1.350 1.00 0.00 O ATOM 804 CB ASN A 55 6.912 5.546 3.057 1.00 0.00 C ATOM 805 CG ASN A 55 5.933 5.009 4.083 1.00 0.00 C ATOM 806 OD1 ASN A 55 5.283 5.773 4.797 1.00 0.00 O ATOM 807 ND2 ASN A 55 5.824 3.688 4.162 1.00 0.00 N ATOM 0 H ASN A 55 4.509 4.989 1.364 1.00 0.00 H new ATOM 0 HA ASN A 55 5.484 6.871 2.149 1.00 0.00 H new ATOM 0 HB2 ASN A 55 7.583 4.745 2.746 1.00 0.00 H new ATOM 0 HB3 ASN A 55 7.529 6.318 3.517 1.00 0.00 H new ATOM 0 HD21 ASN A 55 5.182 3.269 4.834 1.00 0.00 H new ATOM 0 HD22 ASN A 55 6.382 3.093 3.550 1.00 0.00 H new ATOM 814 N GLY A 56 6.857 6.989 -0.345 1.00 0.00 N ATOM 815 CA GLY A 56 7.749 7.626 -1.296 1.00 0.00 C ATOM 816 C GLY A 56 8.926 6.746 -1.666 1.00 0.00 C ATOM 817 O GLY A 56 10.075 7.184 -1.622 1.00 0.00 O ATOM 0 H GLY A 56 5.953 6.709 -0.727 1.00 0.00 H new ATOM 0 HA2 GLY A 56 7.192 7.880 -2.198 1.00 0.00 H new ATOM 0 HA3 GLY A 56 8.117 8.561 -0.874 1.00 0.00 H new ATOM 821 N GLN A 57 8.639 5.500 -2.031 1.00 0.00 N ATOM 822 CA GLN A 57 9.683 4.555 -2.409 1.00 0.00 C ATOM 823 C GLN A 57 9.169 3.561 -3.445 1.00 0.00 C ATOM 824 O GLN A 57 8.167 2.881 -3.223 1.00 0.00 O ATOM 825 CB GLN A 57 10.194 3.808 -1.176 1.00 0.00 C ATOM 826 CG GLN A 57 11.030 4.670 -0.244 1.00 0.00 C ATOM 827 CD GLN A 57 12.079 3.872 0.505 1.00 0.00 C ATOM 828 OE1 GLN A 57 12.564 2.850 0.017 1.00 0.00 O ATOM 829 NE2 GLN A 57 12.436 4.335 1.697 1.00 0.00 N ATOM 0 H GLN A 57 7.693 5.122 -2.073 1.00 0.00 H new ATOM 0 HA GLN A 57 10.505 5.118 -2.851 1.00 0.00 H new ATOM 0 HB2 GLN A 57 9.342 3.411 -0.624 1.00 0.00 H new ATOM 0 HB3 GLN A 57 10.790 2.955 -1.500 1.00 0.00 H new ATOM 0 HG2 GLN A 57 11.519 5.454 -0.822 1.00 0.00 H new ATOM 0 HG3 GLN A 57 10.375 5.164 0.473 1.00 0.00 H new ATOM 0 HE21 GLN A 57 12.008 5.186 2.063 1.00 0.00 H new ATOM 0 HE22 GLN A 57 13.138 3.840 2.247 1.00 0.00 H new ATOM 838 N SER A 58 9.862 3.482 -4.577 1.00 0.00 N ATOM 839 CA SER A 58 9.473 2.574 -5.649 1.00 0.00 C ATOM 840 C SER A 58 9.666 1.120 -5.226 1.00 0.00 C ATOM 841 O SER A 58 10.786 0.610 -5.209 1.00 0.00 O ATOM 842 CB SER A 58 10.288 2.862 -6.911 1.00 0.00 C ATOM 843 OG SER A 58 9.882 4.079 -7.513 1.00 0.00 O ATOM 0 H SER A 58 10.695 4.036 -4.775 1.00 0.00 H new ATOM 0 HA SER A 58 8.416 2.735 -5.863 1.00 0.00 H new ATOM 0 HB2 SER A 58 11.347 2.912 -6.660 1.00 0.00 H new ATOM 0 HB3 SER A 58 10.167 2.043 -7.621 1.00 0.00 H new ATOM 0 HG SER A 58 10.419 4.242 -8.317 1.00 0.00 H new ATOM 849 N VAL A 59 8.564 0.459 -4.885 1.00 0.00 N ATOM 850 CA VAL A 59 8.610 -0.936 -4.464 1.00 0.00 C ATOM 851 C VAL A 59 7.977 -1.848 -5.509 1.00 0.00 C ATOM 852 O VAL A 59 7.724 -3.024 -5.251 1.00 0.00 O ATOM 853 CB VAL A 59 7.889 -1.139 -3.118 1.00 0.00 C ATOM 854 CG1 VAL A 59 8.655 -0.458 -1.994 1.00 0.00 C ATOM 855 CG2 VAL A 59 6.462 -0.619 -3.194 1.00 0.00 C ATOM 0 H VAL A 59 7.629 0.867 -4.892 1.00 0.00 H new ATOM 0 HA VAL A 59 9.662 -1.197 -4.349 1.00 0.00 H new ATOM 0 HB VAL A 59 7.850 -2.207 -2.904 1.00 0.00 H new ATOM 0 HG11 VAL A 59 8.131 -0.612 -1.051 1.00 0.00 H new ATOM 0 HG12 VAL A 59 9.656 -0.883 -1.926 1.00 0.00 H new ATOM 0 HG13 VAL A 59 8.728 0.610 -2.198 1.00 0.00 H new ATOM 0 HG21 VAL A 59 5.968 -0.771 -2.234 1.00 0.00 H new ATOM 0 HG22 VAL A 59 6.475 0.445 -3.432 1.00 0.00 H new ATOM 0 HG23 VAL A 59 5.919 -1.158 -3.971 1.00 0.00 H new ATOM 865 N VAL A 60 7.724 -1.296 -6.692 1.00 0.00 N ATOM 866 CA VAL A 60 7.122 -2.059 -7.778 1.00 0.00 C ATOM 867 C VAL A 60 7.898 -3.345 -8.042 1.00 0.00 C ATOM 868 O VAL A 60 7.342 -4.329 -8.530 1.00 0.00 O ATOM 869 CB VAL A 60 7.061 -1.234 -9.077 1.00 0.00 C ATOM 870 CG1 VAL A 60 8.463 -0.941 -9.591 1.00 0.00 C ATOM 871 CG2 VAL A 60 6.239 -1.961 -10.131 1.00 0.00 C ATOM 0 H VAL A 60 7.927 -0.323 -6.922 1.00 0.00 H new ATOM 0 HA VAL A 60 6.108 -2.307 -7.466 1.00 0.00 H new ATOM 0 HB VAL A 60 6.574 -0.283 -8.860 1.00 0.00 H new ATOM 0 HG11 VAL A 60 8.399 -0.357 -10.509 1.00 0.00 H new ATOM 0 HG12 VAL A 60 9.015 -0.376 -8.840 1.00 0.00 H new ATOM 0 HG13 VAL A 60 8.980 -1.879 -9.793 1.00 0.00 H new ATOM 0 HG21 VAL A 60 6.206 -1.364 -11.042 1.00 0.00 H new ATOM 0 HG22 VAL A 60 6.696 -2.927 -10.346 1.00 0.00 H new ATOM 0 HG23 VAL A 60 5.225 -2.113 -9.761 1.00 0.00 H new ATOM 881 N ALA A 61 9.186 -3.330 -7.716 1.00 0.00 N ATOM 882 CA ALA A 61 10.039 -4.495 -7.915 1.00 0.00 C ATOM 883 C ALA A 61 10.549 -5.036 -6.584 1.00 0.00 C ATOM 884 O ALA A 61 10.727 -6.244 -6.420 1.00 0.00 O ATOM 885 CB ALA A 61 11.205 -4.147 -8.828 1.00 0.00 C ATOM 0 H ALA A 61 9.662 -2.523 -7.313 1.00 0.00 H new ATOM 0 HA ALA A 61 9.442 -5.274 -8.389 1.00 0.00 H new ATOM 0 HB1 ALA A 61 11.833 -5.027 -8.967 1.00 0.00 H new ATOM 0 HB2 ALA A 61 10.824 -3.816 -9.794 1.00 0.00 H new ATOM 0 HB3 ALA A 61 11.794 -3.348 -8.377 1.00 0.00 H new ATOM 891 N THR A 62 10.783 -4.135 -5.635 1.00 0.00 N ATOM 892 CA THR A 62 11.275 -4.522 -4.319 1.00 0.00 C ATOM 893 C THR A 62 10.520 -5.734 -3.784 1.00 0.00 C ATOM 894 O THR A 62 9.301 -5.844 -3.917 1.00 0.00 O ATOM 895 CB THR A 62 11.147 -3.366 -3.309 1.00 0.00 C ATOM 896 OG1 THR A 62 11.919 -2.243 -3.751 1.00 0.00 O ATOM 897 CG2 THR A 62 11.616 -3.798 -1.928 1.00 0.00 C ATOM 0 H THR A 62 10.640 -3.132 -5.754 1.00 0.00 H new ATOM 0 HA THR A 62 12.328 -4.776 -4.438 1.00 0.00 H new ATOM 0 HB THR A 62 10.096 -3.083 -3.245 1.00 0.00 H new ATOM 0 HG1 THR A 62 11.832 -1.511 -3.105 1.00 0.00 H new ATOM 0 HG21 THR A 62 11.516 -2.965 -1.233 1.00 0.00 H new ATOM 0 HG22 THR A 62 11.008 -4.634 -1.582 1.00 0.00 H new ATOM 0 HG23 THR A 62 12.661 -4.105 -1.978 1.00 0.00 H new ATOM 905 N PRO A 63 11.259 -6.665 -3.163 1.00 0.00 N ATOM 906 CA PRO A 63 10.679 -7.886 -2.594 1.00 0.00 C ATOM 907 C PRO A 63 9.825 -7.603 -1.364 1.00 0.00 C ATOM 908 O PRO A 63 10.190 -6.788 -0.516 1.00 0.00 O ATOM 909 CB PRO A 63 11.906 -8.717 -2.214 1.00 0.00 C ATOM 910 CG PRO A 63 12.990 -7.718 -2.002 1.00 0.00 C ATOM 911 CD PRO A 63 12.717 -6.599 -2.968 1.00 0.00 C ATOM 0 HA PRO A 63 10.010 -8.385 -3.295 1.00 0.00 H new ATOM 0 HB2 PRO A 63 11.724 -9.301 -1.312 1.00 0.00 H new ATOM 0 HB3 PRO A 63 12.166 -9.422 -3.003 1.00 0.00 H new ATOM 0 HG2 PRO A 63 12.990 -7.355 -0.974 1.00 0.00 H new ATOM 0 HG3 PRO A 63 13.969 -8.160 -2.184 1.00 0.00 H new ATOM 0 HD2 PRO A 63 13.025 -5.635 -2.564 1.00 0.00 H new ATOM 0 HD3 PRO A 63 13.255 -6.738 -3.906 1.00 0.00 H new ATOM 919 N HIS A 64 8.685 -8.281 -1.271 1.00 0.00 N ATOM 920 CA HIS A 64 7.779 -8.102 -0.142 1.00 0.00 C ATOM 921 C HIS A 64 8.557 -7.965 1.163 1.00 0.00 C ATOM 922 O HIS A 64 8.329 -7.036 1.938 1.00 0.00 O ATOM 923 CB HIS A 64 6.808 -9.280 -0.049 1.00 0.00 C ATOM 924 CG HIS A 64 5.914 -9.226 1.151 1.00 0.00 C ATOM 925 ND1 HIS A 64 4.633 -8.716 1.113 1.00 0.00 N ATOM 926 CD2 HIS A 64 6.122 -9.623 2.428 1.00 0.00 C ATOM 927 CE1 HIS A 64 4.092 -8.801 2.316 1.00 0.00 C ATOM 928 NE2 HIS A 64 4.975 -9.348 3.132 1.00 0.00 N ATOM 0 H HIS A 64 8.367 -8.959 -1.964 1.00 0.00 H new ATOM 0 HA HIS A 64 7.212 -7.185 -0.304 1.00 0.00 H new ATOM 0 HB2 HIS A 64 6.193 -9.305 -0.949 1.00 0.00 H new ATOM 0 HB3 HIS A 64 7.378 -10.209 -0.026 1.00 0.00 H new ATOM 0 HD2 HIS A 64 7.022 -10.072 2.820 1.00 0.00 H new ATOM 0 HE1 HIS A 64 3.097 -8.478 2.586 1.00 0.00 H new ATOM 0 HE2 HIS A 64 4.829 -9.536 4.124 1.00 0.00 H new ATOM 936 N ALA A 65 9.476 -8.896 1.399 1.00 0.00 N ATOM 937 CA ALA A 65 10.288 -8.877 2.609 1.00 0.00 C ATOM 938 C ALA A 65 10.663 -7.451 2.998 1.00 0.00 C ATOM 939 O ALA A 65 10.421 -7.021 4.126 1.00 0.00 O ATOM 940 CB ALA A 65 11.540 -9.720 2.417 1.00 0.00 C ATOM 0 H ALA A 65 9.676 -9.672 0.768 1.00 0.00 H new ATOM 0 HA ALA A 65 9.697 -9.302 3.420 1.00 0.00 H new ATOM 0 HB1 ALA A 65 12.137 -9.697 3.328 1.00 0.00 H new ATOM 0 HB2 ALA A 65 11.256 -10.749 2.195 1.00 0.00 H new ATOM 0 HB3 ALA A 65 12.125 -9.319 1.589 1.00 0.00 H new ATOM 946 N ARG A 66 11.254 -6.722 2.057 1.00 0.00 N ATOM 947 CA ARG A 66 11.664 -5.345 2.302 1.00 0.00 C ATOM 948 C ARG A 66 10.448 -4.443 2.500 1.00 0.00 C ATOM 949 O ARG A 66 10.438 -3.584 3.381 1.00 0.00 O ATOM 950 CB ARG A 66 12.511 -4.827 1.138 1.00 0.00 C ATOM 951 CG ARG A 66 12.773 -3.331 1.193 1.00 0.00 C ATOM 952 CD ARG A 66 13.341 -2.914 2.541 1.00 0.00 C ATOM 953 NE ARG A 66 14.107 -1.674 2.452 1.00 0.00 N ATOM 954 CZ ARG A 66 15.242 -1.558 1.771 1.00 0.00 C ATOM 955 NH1 ARG A 66 15.740 -2.603 1.124 1.00 0.00 N ATOM 956 NH2 ARG A 66 15.881 -0.396 1.737 1.00 0.00 N ATOM 0 H ARG A 66 11.460 -7.062 1.118 1.00 0.00 H new ATOM 0 HA ARG A 66 12.262 -5.327 3.213 1.00 0.00 H new ATOM 0 HB2 ARG A 66 13.465 -5.354 1.131 1.00 0.00 H new ATOM 0 HB3 ARG A 66 12.009 -5.065 0.200 1.00 0.00 H new ATOM 0 HG2 ARG A 66 13.469 -3.053 0.402 1.00 0.00 H new ATOM 0 HG3 ARG A 66 11.845 -2.791 1.005 1.00 0.00 H new ATOM 0 HD2 ARG A 66 12.526 -2.786 3.254 1.00 0.00 H new ATOM 0 HD3 ARG A 66 13.980 -3.708 2.926 1.00 0.00 H new ATOM 0 HE ARG A 66 13.751 -0.852 2.939 1.00 0.00 H new ATOM 0 HH11 ARG A 66 15.252 -3.498 1.148 1.00 0.00 H new ATOM 0 HH12 ARG A 66 16.611 -2.512 0.602 1.00 0.00 H new ATOM 0 HH21 ARG A 66 15.501 0.410 2.234 1.00 0.00 H new ATOM 0 HH22 ARG A 66 16.752 -0.308 1.214 1.00 0.00 H new ATOM 970 N ILE A 67 9.427 -4.646 1.675 1.00 0.00 N ATOM 971 CA ILE A 67 8.208 -3.852 1.760 1.00 0.00 C ATOM 972 C ILE A 67 7.676 -3.813 3.189 1.00 0.00 C ATOM 973 O ILE A 67 7.237 -2.768 3.669 1.00 0.00 O ATOM 974 CB ILE A 67 7.110 -4.405 0.831 1.00 0.00 C ATOM 975 CG1 ILE A 67 7.493 -4.185 -0.634 1.00 0.00 C ATOM 976 CG2 ILE A 67 5.774 -3.746 1.140 1.00 0.00 C ATOM 977 CD1 ILE A 67 6.688 -5.023 -1.601 1.00 0.00 C ATOM 0 H ILE A 67 9.420 -5.353 0.940 1.00 0.00 H new ATOM 0 HA ILE A 67 8.467 -2.842 1.443 1.00 0.00 H new ATOM 0 HB ILE A 67 7.013 -5.477 1.004 1.00 0.00 H new ATOM 0 HG12 ILE A 67 7.361 -3.132 -0.881 1.00 0.00 H new ATOM 0 HG13 ILE A 67 8.551 -4.412 -0.763 1.00 0.00 H new ATOM 0 HG21 ILE A 67 5.008 -4.147 0.476 1.00 0.00 H new ATOM 0 HG22 ILE A 67 5.499 -3.949 2.175 1.00 0.00 H new ATOM 0 HG23 ILE A 67 5.856 -2.669 0.991 1.00 0.00 H new ATOM 0 HD11 ILE A 67 7.013 -4.815 -2.620 1.00 0.00 H new ATOM 0 HD12 ILE A 67 6.839 -6.080 -1.380 1.00 0.00 H new ATOM 0 HD13 ILE A 67 5.630 -4.779 -1.501 1.00 0.00 H new ATOM 989 N ILE A 68 7.721 -4.957 3.863 1.00 0.00 N ATOM 990 CA ILE A 68 7.247 -5.052 5.238 1.00 0.00 C ATOM 991 C ILE A 68 8.102 -4.205 6.174 1.00 0.00 C ATOM 992 O ILE A 68 7.580 -3.484 7.023 1.00 0.00 O ATOM 993 CB ILE A 68 7.251 -6.510 5.735 1.00 0.00 C ATOM 994 CG1 ILE A 68 6.402 -7.388 4.814 1.00 0.00 C ATOM 995 CG2 ILE A 68 6.739 -6.583 7.165 1.00 0.00 C ATOM 996 CD1 ILE A 68 4.956 -6.953 4.727 1.00 0.00 C ATOM 0 H ILE A 68 8.081 -5.831 3.479 1.00 0.00 H new ATOM 0 HA ILE A 68 6.224 -4.677 5.246 1.00 0.00 H new ATOM 0 HB ILE A 68 8.275 -6.882 5.717 1.00 0.00 H new ATOM 0 HG12 ILE A 68 6.836 -7.378 3.814 1.00 0.00 H new ATOM 0 HG13 ILE A 68 6.442 -8.418 5.169 1.00 0.00 H new ATOM 0 HG21 ILE A 68 6.748 -7.620 7.502 1.00 0.00 H new ATOM 0 HG22 ILE A 68 7.381 -5.985 7.812 1.00 0.00 H new ATOM 0 HG23 ILE A 68 5.721 -6.196 7.207 1.00 0.00 H new ATOM 0 HD11 ILE A 68 4.415 -7.621 4.057 1.00 0.00 H new ATOM 0 HD12 ILE A 68 4.505 -6.990 5.718 1.00 0.00 H new ATOM 0 HD13 ILE A 68 4.905 -5.934 4.343 1.00 0.00 H new ATOM 1008 N GLU A 69 9.418 -4.297 6.010 1.00 0.00 N ATOM 1009 CA GLU A 69 10.345 -3.537 6.841 1.00 0.00 C ATOM 1010 C GLU A 69 10.125 -2.037 6.670 1.00 0.00 C ATOM 1011 O GLU A 69 10.153 -1.279 7.640 1.00 0.00 O ATOM 1012 CB GLU A 69 11.790 -3.895 6.489 1.00 0.00 C ATOM 1013 CG GLU A 69 12.323 -5.096 7.252 1.00 0.00 C ATOM 1014 CD GLU A 69 12.237 -4.917 8.755 1.00 0.00 C ATOM 1015 OE1 GLU A 69 11.189 -5.270 9.335 1.00 0.00 O ATOM 1016 OE2 GLU A 69 13.217 -4.424 9.352 1.00 0.00 O ATOM 0 H GLU A 69 9.866 -4.889 5.311 1.00 0.00 H new ATOM 0 HA GLU A 69 10.157 -3.798 7.883 1.00 0.00 H new ATOM 0 HB2 GLU A 69 11.855 -4.096 5.420 1.00 0.00 H new ATOM 0 HB3 GLU A 69 12.428 -3.035 6.691 1.00 0.00 H new ATOM 0 HG2 GLU A 69 11.761 -5.984 6.963 1.00 0.00 H new ATOM 0 HG3 GLU A 69 13.361 -5.270 6.969 1.00 0.00 H new ATOM 1023 N LEU A 70 9.907 -1.615 5.429 1.00 0.00 N ATOM 1024 CA LEU A 70 9.682 -0.205 5.129 1.00 0.00 C ATOM 1025 C LEU A 70 8.337 0.260 5.676 1.00 0.00 C ATOM 1026 O LEU A 70 8.277 1.082 6.591 1.00 0.00 O ATOM 1027 CB LEU A 70 9.742 0.031 3.619 1.00 0.00 C ATOM 1028 CG LEU A 70 11.140 0.162 3.014 1.00 0.00 C ATOM 1029 CD1 LEU A 70 11.072 0.112 1.496 1.00 0.00 C ATOM 1030 CD2 LEU A 70 11.802 1.451 3.478 1.00 0.00 C ATOM 0 H LEU A 70 9.881 -2.229 4.615 1.00 0.00 H new ATOM 0 HA LEU A 70 10.469 0.374 5.612 1.00 0.00 H new ATOM 0 HB2 LEU A 70 9.229 -0.793 3.122 1.00 0.00 H new ATOM 0 HB3 LEU A 70 9.183 0.939 3.391 1.00 0.00 H new ATOM 0 HG LEU A 70 11.744 -0.678 3.357 1.00 0.00 H new ATOM 0 HD11 LEU A 70 12.076 0.207 1.083 1.00 0.00 H new ATOM 0 HD12 LEU A 70 10.639 -0.838 1.182 1.00 0.00 H new ATOM 0 HD13 LEU A 70 10.452 0.931 1.132 1.00 0.00 H new ATOM 0 HD21 LEU A 70 12.796 1.528 3.038 1.00 0.00 H new ATOM 0 HD22 LEU A 70 11.199 2.303 3.164 1.00 0.00 H new ATOM 0 HD23 LEU A 70 11.886 1.446 4.565 1.00 0.00 H new ATOM 1042 N LEU A 71 7.259 -0.272 5.111 1.00 0.00 N ATOM 1043 CA LEU A 71 5.912 0.087 5.543 1.00 0.00 C ATOM 1044 C LEU A 71 5.821 0.125 7.065 1.00 0.00 C ATOM 1045 O LEU A 71 5.386 1.119 7.648 1.00 0.00 O ATOM 1046 CB LEU A 71 4.894 -0.908 4.984 1.00 0.00 C ATOM 1047 CG LEU A 71 4.298 -0.562 3.618 1.00 0.00 C ATOM 1048 CD1 LEU A 71 3.670 -1.793 2.983 1.00 0.00 C ATOM 1049 CD2 LEU A 71 3.273 0.554 3.750 1.00 0.00 C ATOM 0 H LEU A 71 7.291 -0.953 4.353 1.00 0.00 H new ATOM 0 HA LEU A 71 5.686 1.082 5.159 1.00 0.00 H new ATOM 0 HB2 LEU A 71 5.372 -1.885 4.913 1.00 0.00 H new ATOM 0 HB3 LEU A 71 4.078 -1.004 5.700 1.00 0.00 H new ATOM 0 HG LEU A 71 5.102 -0.214 2.970 1.00 0.00 H new ATOM 0 HD11 LEU A 71 3.251 -1.528 2.012 1.00 0.00 H new ATOM 0 HD12 LEU A 71 4.430 -2.563 2.852 1.00 0.00 H new ATOM 0 HD13 LEU A 71 2.878 -2.171 3.629 1.00 0.00 H new ATOM 0 HD21 LEU A 71 2.860 0.787 2.768 1.00 0.00 H new ATOM 0 HD22 LEU A 71 2.471 0.234 4.415 1.00 0.00 H new ATOM 0 HD23 LEU A 71 3.753 1.442 4.161 1.00 0.00 H new ATOM 1061 N THR A 72 6.235 -0.965 7.705 1.00 0.00 N ATOM 1062 CA THR A 72 6.201 -1.057 9.159 1.00 0.00 C ATOM 1063 C THR A 72 7.049 0.036 9.799 1.00 0.00 C ATOM 1064 O THR A 72 6.620 0.692 10.747 1.00 0.00 O ATOM 1065 CB THR A 72 6.699 -2.430 9.647 1.00 0.00 C ATOM 1066 OG1 THR A 72 5.882 -3.471 9.100 1.00 0.00 O ATOM 1067 CG2 THR A 72 6.677 -2.505 11.166 1.00 0.00 C ATOM 0 H THR A 72 6.598 -1.796 7.238 1.00 0.00 H new ATOM 0 HA THR A 72 5.161 -0.929 9.459 1.00 0.00 H new ATOM 0 HB THR A 72 7.727 -2.560 9.308 1.00 0.00 H new ATOM 0 HG1 THR A 72 6.248 -3.754 8.236 1.00 0.00 H new ATOM 0 HG21 THR A 72 7.033 -3.484 11.487 1.00 0.00 H new ATOM 0 HG22 THR A 72 7.324 -1.731 11.578 1.00 0.00 H new ATOM 0 HG23 THR A 72 5.658 -2.354 11.523 1.00 0.00 H new ATOM 1075 N GLU A 73 8.255 0.227 9.273 1.00 0.00 N ATOM 1076 CA GLU A 73 9.164 1.241 9.795 1.00 0.00 C ATOM 1077 C GLU A 73 8.593 2.641 9.587 1.00 0.00 C ATOM 1078 O GLU A 73 9.024 3.600 10.227 1.00 0.00 O ATOM 1079 CB GLU A 73 10.531 1.130 9.117 1.00 0.00 C ATOM 1080 CG GLU A 73 11.409 0.032 9.695 1.00 0.00 C ATOM 1081 CD GLU A 73 12.089 0.448 10.985 1.00 0.00 C ATOM 1082 OE1 GLU A 73 11.456 0.326 12.055 1.00 0.00 O ATOM 1083 OE2 GLU A 73 13.254 0.895 10.925 1.00 0.00 O ATOM 0 H GLU A 73 8.625 -0.307 8.486 1.00 0.00 H new ATOM 0 HA GLU A 73 9.283 1.070 10.865 1.00 0.00 H new ATOM 0 HB2 GLU A 73 10.386 0.945 8.053 1.00 0.00 H new ATOM 0 HB3 GLU A 73 11.050 2.084 9.207 1.00 0.00 H new ATOM 0 HG2 GLU A 73 10.802 -0.855 9.878 1.00 0.00 H new ATOM 0 HG3 GLU A 73 12.167 -0.246 8.962 1.00 0.00 H new ATOM 1090 N ALA A 74 7.622 2.750 8.686 1.00 0.00 N ATOM 1091 CA ALA A 74 6.991 4.031 8.394 1.00 0.00 C ATOM 1092 C ALA A 74 5.936 4.375 9.440 1.00 0.00 C ATOM 1093 O ALA A 74 4.910 3.701 9.546 1.00 0.00 O ATOM 1094 CB ALA A 74 6.372 4.010 7.004 1.00 0.00 C ATOM 0 H ALA A 74 7.255 1.966 8.146 1.00 0.00 H new ATOM 0 HA ALA A 74 7.761 4.802 8.425 1.00 0.00 H new ATOM 0 HB1 ALA A 74 5.904 4.973 6.799 1.00 0.00 H new ATOM 0 HB2 ALA A 74 7.148 3.819 6.263 1.00 0.00 H new ATOM 0 HB3 ALA A 74 5.620 3.223 6.953 1.00 0.00 H new ATOM 1100 N TYR A 75 6.194 5.425 10.211 1.00 0.00 N ATOM 1101 CA TYR A 75 5.267 5.856 11.251 1.00 0.00 C ATOM 1102 C TYR A 75 4.535 7.129 10.836 1.00 0.00 C ATOM 1103 O TYR A 75 4.906 7.781 9.861 1.00 0.00 O ATOM 1104 CB TYR A 75 6.015 6.090 12.564 1.00 0.00 C ATOM 1105 CG TYR A 75 7.204 5.175 12.756 1.00 0.00 C ATOM 1106 CD1 TYR A 75 7.058 3.932 13.359 1.00 0.00 C ATOM 1107 CD2 TYR A 75 8.472 5.554 12.334 1.00 0.00 C ATOM 1108 CE1 TYR A 75 8.142 3.093 13.537 1.00 0.00 C ATOM 1109 CE2 TYR A 75 9.561 4.721 12.506 1.00 0.00 C ATOM 1110 CZ TYR A 75 9.390 3.492 13.108 1.00 0.00 C ATOM 1111 OH TYR A 75 10.472 2.660 13.283 1.00 0.00 O ATOM 0 H TYR A 75 7.037 5.994 10.136 1.00 0.00 H new ATOM 0 HA TYR A 75 4.530 5.066 11.395 1.00 0.00 H new ATOM 0 HB2 TYR A 75 6.355 7.125 12.599 1.00 0.00 H new ATOM 0 HB3 TYR A 75 5.324 5.953 13.396 1.00 0.00 H new ATOM 0 HD1 TYR A 75 6.081 3.616 13.694 1.00 0.00 H new ATOM 0 HD2 TYR A 75 8.609 6.516 11.863 1.00 0.00 H new ATOM 0 HE1 TYR A 75 8.012 2.131 14.009 1.00 0.00 H new ATOM 0 HE2 TYR A 75 10.540 5.030 12.171 1.00 0.00 H new ATOM 0 HH TYR A 75 10.431 1.928 12.632 1.00 0.00 H new ATOM 1121 N GLY A 76 3.493 7.475 11.585 1.00 0.00 N ATOM 1122 CA GLY A 76 2.725 8.668 11.280 1.00 0.00 C ATOM 1123 C GLY A 76 2.056 8.596 9.922 1.00 0.00 C ATOM 1124 O GLY A 76 1.225 7.722 9.679 1.00 0.00 O ATOM 0 H GLY A 76 3.167 6.951 12.397 1.00 0.00 H new ATOM 0 HA2 GLY A 76 1.966 8.814 12.048 1.00 0.00 H new ATOM 0 HA3 GLY A 76 3.382 9.537 11.312 1.00 0.00 H new ATOM 1128 N GLU A 77 2.418 9.519 9.036 1.00 0.00 N ATOM 1129 CA GLU A 77 1.844 9.557 7.696 1.00 0.00 C ATOM 1130 C GLU A 77 2.488 8.505 6.798 1.00 0.00 C ATOM 1131 O GLU A 77 3.698 8.522 6.572 1.00 0.00 O ATOM 1132 CB GLU A 77 2.021 10.946 7.080 1.00 0.00 C ATOM 1133 CG GLU A 77 1.297 11.122 5.756 1.00 0.00 C ATOM 1134 CD GLU A 77 1.207 12.575 5.329 1.00 0.00 C ATOM 1135 OE1 GLU A 77 2.256 13.161 4.992 1.00 0.00 O ATOM 1136 OE2 GLU A 77 0.085 13.125 5.332 1.00 0.00 O ATOM 0 H GLU A 77 3.105 10.249 9.222 1.00 0.00 H new ATOM 0 HA GLU A 77 0.780 9.337 7.779 1.00 0.00 H new ATOM 0 HB2 GLU A 77 1.660 11.695 7.784 1.00 0.00 H new ATOM 0 HB3 GLU A 77 3.084 11.135 6.931 1.00 0.00 H new ATOM 0 HG2 GLU A 77 1.815 10.552 4.985 1.00 0.00 H new ATOM 0 HG3 GLU A 77 0.292 10.708 5.838 1.00 0.00 H new ATOM 1143 N VAL A 78 1.670 7.588 6.290 1.00 0.00 N ATOM 1144 CA VAL A 78 2.159 6.528 5.417 1.00 0.00 C ATOM 1145 C VAL A 78 1.548 6.638 4.024 1.00 0.00 C ATOM 1146 O VAL A 78 0.412 6.222 3.797 1.00 0.00 O ATOM 1147 CB VAL A 78 1.844 5.135 5.994 1.00 0.00 C ATOM 1148 CG1 VAL A 78 2.665 4.066 5.289 1.00 0.00 C ATOM 1149 CG2 VAL A 78 2.097 5.111 7.494 1.00 0.00 C ATOM 0 H VAL A 78 0.666 7.558 6.468 1.00 0.00 H new ATOM 0 HA VAL A 78 3.240 6.649 5.348 1.00 0.00 H new ATOM 0 HB VAL A 78 0.789 4.920 5.823 1.00 0.00 H new ATOM 0 HG11 VAL A 78 2.429 3.089 5.710 1.00 0.00 H new ATOM 0 HG12 VAL A 78 2.429 4.069 4.225 1.00 0.00 H new ATOM 0 HG13 VAL A 78 3.726 4.273 5.426 1.00 0.00 H new ATOM 0 HG21 VAL A 78 1.869 4.120 7.886 1.00 0.00 H new ATOM 0 HG22 VAL A 78 3.143 5.348 7.690 1.00 0.00 H new ATOM 0 HG23 VAL A 78 1.460 5.849 7.982 1.00 0.00 H new ATOM 1159 N HIS A 79 2.311 7.202 3.092 1.00 0.00 N ATOM 1160 CA HIS A 79 1.846 7.366 1.720 1.00 0.00 C ATOM 1161 C HIS A 79 1.987 6.063 0.939 1.00 0.00 C ATOM 1162 O HIS A 79 3.089 5.682 0.542 1.00 0.00 O ATOM 1163 CB HIS A 79 2.629 8.479 1.023 1.00 0.00 C ATOM 1164 CG HIS A 79 2.281 9.852 1.511 1.00 0.00 C ATOM 1165 ND1 HIS A 79 1.505 10.733 0.787 1.00 0.00 N ATOM 1166 CD2 HIS A 79 2.606 10.493 2.657 1.00 0.00 C ATOM 1167 CE1 HIS A 79 1.370 11.857 1.467 1.00 0.00 C ATOM 1168 NE2 HIS A 79 2.028 11.738 2.606 1.00 0.00 N ATOM 0 H HIS A 79 3.253 7.553 3.263 1.00 0.00 H new ATOM 0 HA HIS A 79 0.791 7.639 1.751 1.00 0.00 H new ATOM 0 HB2 HIS A 79 3.695 8.309 1.171 1.00 0.00 H new ATOM 0 HB3 HIS A 79 2.443 8.426 -0.050 1.00 0.00 H new ATOM 0 HD2 HIS A 79 3.208 10.099 3.462 1.00 0.00 H new ATOM 0 HE1 HIS A 79 0.815 12.726 1.146 1.00 0.00 H new ATOM 0 HE2 HIS A 79 2.096 12.454 3.330 1.00 0.00 H new ATOM 1176 N ILE A 80 0.865 5.384 0.723 1.00 0.00 N ATOM 1177 CA ILE A 80 0.865 4.124 -0.011 1.00 0.00 C ATOM 1178 C ILE A 80 0.240 4.293 -1.392 1.00 0.00 C ATOM 1179 O ILE A 80 -0.910 4.713 -1.518 1.00 0.00 O ATOM 1180 CB ILE A 80 0.102 3.027 0.755 1.00 0.00 C ATOM 1181 CG1 ILE A 80 0.882 2.610 2.003 1.00 0.00 C ATOM 1182 CG2 ILE A 80 -0.147 1.827 -0.146 1.00 0.00 C ATOM 1183 CD1 ILE A 80 0.124 1.655 2.898 1.00 0.00 C ATOM 0 H ILE A 80 -0.055 5.685 1.045 1.00 0.00 H new ATOM 0 HA ILE A 80 1.907 3.822 -0.121 1.00 0.00 H new ATOM 0 HB ILE A 80 -0.862 3.427 1.069 1.00 0.00 H new ATOM 0 HG12 ILE A 80 1.818 2.143 1.697 1.00 0.00 H new ATOM 0 HG13 ILE A 80 1.142 3.501 2.574 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -0.687 1.061 0.410 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -0.739 2.136 -1.008 1.00 0.00 H new ATOM 0 HG23 ILE A 80 0.807 1.424 -0.487 1.00 0.00 H new ATOM 0 HD11 ILE A 80 0.737 1.402 3.763 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -0.800 2.126 3.234 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -0.113 0.747 2.343 1.00 0.00 H new ATOM 1195 N LYS A 81 1.005 3.960 -2.426 1.00 0.00 N ATOM 1196 CA LYS A 81 0.527 4.070 -3.799 1.00 0.00 C ATOM 1197 C LYS A 81 0.046 2.719 -4.318 1.00 0.00 C ATOM 1198 O LYS A 81 0.850 1.835 -4.618 1.00 0.00 O ATOM 1199 CB LYS A 81 1.636 4.612 -4.704 1.00 0.00 C ATOM 1200 CG LYS A 81 1.117 5.344 -5.930 1.00 0.00 C ATOM 1201 CD LYS A 81 2.154 6.306 -6.485 1.00 0.00 C ATOM 1202 CE LYS A 81 1.500 7.472 -7.211 1.00 0.00 C ATOM 1203 NZ LYS A 81 2.438 8.616 -7.379 1.00 0.00 N ATOM 0 H LYS A 81 1.960 3.611 -2.339 1.00 0.00 H new ATOM 0 HA LYS A 81 -0.314 4.763 -3.811 1.00 0.00 H new ATOM 0 HB2 LYS A 81 2.266 5.289 -4.127 1.00 0.00 H new ATOM 0 HB3 LYS A 81 2.268 3.784 -5.026 1.00 0.00 H new ATOM 0 HG2 LYS A 81 0.843 4.621 -6.698 1.00 0.00 H new ATOM 0 HG3 LYS A 81 0.212 5.893 -5.671 1.00 0.00 H new ATOM 0 HD2 LYS A 81 2.774 6.684 -5.672 1.00 0.00 H new ATOM 0 HD3 LYS A 81 2.815 5.775 -7.169 1.00 0.00 H new ATOM 0 HE2 LYS A 81 1.151 7.141 -8.189 1.00 0.00 H new ATOM 0 HE3 LYS A 81 0.622 7.800 -6.654 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 1.955 9.390 -7.878 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 2.751 8.948 -6.445 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 3.264 8.310 -7.932 1.00 0.00 H new ATOM 1217 N THR A 82 -1.270 2.565 -4.423 1.00 0.00 N ATOM 1218 CA THR A 82 -1.858 1.322 -4.907 1.00 0.00 C ATOM 1219 C THR A 82 -2.199 1.415 -6.390 1.00 0.00 C ATOM 1220 O THR A 82 -2.448 2.501 -6.911 1.00 0.00 O ATOM 1221 CB THR A 82 -3.132 0.960 -4.120 1.00 0.00 C ATOM 1222 OG1 THR A 82 -4.127 1.973 -4.306 1.00 0.00 O ATOM 1223 CG2 THR A 82 -2.827 0.807 -2.638 1.00 0.00 C ATOM 0 H THR A 82 -1.949 3.286 -4.179 1.00 0.00 H new ATOM 0 HA THR A 82 -1.113 0.541 -4.757 1.00 0.00 H new ATOM 0 HB THR A 82 -3.508 0.009 -4.497 1.00 0.00 H new ATOM 0 HG1 THR A 82 -3.716 2.764 -4.714 1.00 0.00 H new ATOM 0 HG21 THR A 82 -3.742 0.551 -2.103 1.00 0.00 H new ATOM 0 HG22 THR A 82 -2.091 0.015 -2.498 1.00 0.00 H new ATOM 0 HG23 THR A 82 -2.429 1.745 -2.250 1.00 0.00 H new ATOM 1231 N MET A 83 -2.208 0.270 -7.063 1.00 0.00 N ATOM 1232 CA MET A 83 -2.521 0.223 -8.486 1.00 0.00 C ATOM 1233 C MET A 83 -3.101 -1.134 -8.871 1.00 0.00 C ATOM 1234 O MET A 83 -2.657 -2.182 -8.401 1.00 0.00 O ATOM 1235 CB MET A 83 -1.268 0.509 -9.316 1.00 0.00 C ATOM 1236 CG MET A 83 -1.565 1.106 -10.681 1.00 0.00 C ATOM 1237 SD MET A 83 -0.083 1.701 -11.517 1.00 0.00 S ATOM 1238 CE MET A 83 -0.805 2.707 -12.812 1.00 0.00 C ATOM 0 H MET A 83 -2.002 -0.638 -6.646 1.00 0.00 H new ATOM 0 HA MET A 83 -3.268 0.989 -8.693 1.00 0.00 H new ATOM 0 HB2 MET A 83 -0.624 1.192 -8.762 1.00 0.00 H new ATOM 0 HB3 MET A 83 -0.710 -0.418 -9.448 1.00 0.00 H new ATOM 0 HG2 MET A 83 -2.052 0.355 -11.303 1.00 0.00 H new ATOM 0 HG3 MET A 83 -2.269 1.930 -10.567 1.00 0.00 H new ATOM 0 HE1 MET A 83 -0.060 3.411 -13.184 1.00 0.00 H new ATOM 0 HE2 MET A 83 -1.137 2.066 -13.628 1.00 0.00 H new ATOM 0 HE3 MET A 83 -1.657 3.257 -12.413 1.00 0.00 H new ATOM 1248 N PRO A 84 -4.117 -1.118 -9.747 1.00 0.00 N ATOM 1249 CA PRO A 84 -4.779 -2.340 -10.214 1.00 0.00 C ATOM 1250 C PRO A 84 -3.882 -3.175 -11.121 1.00 0.00 C ATOM 1251 O PRO A 84 -3.429 -2.704 -12.164 1.00 0.00 O ATOM 1252 CB PRO A 84 -5.987 -1.813 -10.994 1.00 0.00 C ATOM 1253 CG PRO A 84 -5.587 -0.447 -11.434 1.00 0.00 C ATOM 1254 CD PRO A 84 -4.698 0.094 -10.348 1.00 0.00 C ATOM 0 HA PRO A 84 -5.043 -3.002 -9.389 1.00 0.00 H new ATOM 0 HB2 PRO A 84 -6.217 -2.452 -11.847 1.00 0.00 H new ATOM 0 HB3 PRO A 84 -6.879 -1.782 -10.369 1.00 0.00 H new ATOM 0 HG2 PRO A 84 -5.060 -0.483 -12.388 1.00 0.00 H new ATOM 0 HG3 PRO A 84 -6.461 0.189 -11.576 1.00 0.00 H new ATOM 0 HD2 PRO A 84 -3.928 0.752 -10.750 1.00 0.00 H new ATOM 0 HD3 PRO A 84 -5.263 0.673 -9.618 1.00 0.00 H new ATOM 1262 N ALA A 85 -3.630 -4.415 -10.718 1.00 0.00 N ATOM 1263 CA ALA A 85 -2.789 -5.316 -11.496 1.00 0.00 C ATOM 1264 C ALA A 85 -3.154 -5.266 -12.976 1.00 0.00 C ATOM 1265 O ALA A 85 -2.279 -5.290 -13.841 1.00 0.00 O ATOM 1266 CB ALA A 85 -2.910 -6.738 -10.969 1.00 0.00 C ATOM 0 H ALA A 85 -3.996 -4.819 -9.856 1.00 0.00 H new ATOM 0 HA ALA A 85 -1.755 -4.988 -11.392 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -2.277 -7.400 -11.559 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -2.594 -6.768 -9.926 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -3.947 -7.067 -11.043 1.00 0.00 H new ATOM 1272 N ALA A 86 -4.450 -5.196 -13.259 1.00 0.00 N ATOM 1273 CA ALA A 86 -4.930 -5.141 -14.635 1.00 0.00 C ATOM 1274 C ALA A 86 -4.264 -4.004 -15.403 1.00 0.00 C ATOM 1275 O ALA A 86 -3.505 -4.238 -16.345 1.00 0.00 O ATOM 1276 CB ALA A 86 -6.443 -4.982 -14.660 1.00 0.00 C ATOM 0 H ALA A 86 -5.187 -5.176 -12.554 1.00 0.00 H new ATOM 0 HA ALA A 86 -4.666 -6.079 -15.124 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -6.788 -4.942 -15.693 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -6.906 -5.830 -14.155 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -6.720 -4.060 -14.149 1.00 0.00 H new ATOM 1282 N THR A 87 -4.553 -2.772 -14.996 1.00 0.00 N ATOM 1283 CA THR A 87 -3.983 -1.599 -15.648 1.00 0.00 C ATOM 1284 C THR A 87 -2.468 -1.716 -15.765 1.00 0.00 C ATOM 1285 O THR A 87 -1.929 -1.846 -16.864 1.00 0.00 O ATOM 1286 CB THR A 87 -4.330 -0.308 -14.882 1.00 0.00 C ATOM 1287 OG1 THR A 87 -5.738 -0.249 -14.632 1.00 0.00 O ATOM 1288 CG2 THR A 87 -3.898 0.920 -15.669 1.00 0.00 C ATOM 0 H THR A 87 -5.178 -2.560 -14.218 1.00 0.00 H new ATOM 0 HA THR A 87 -4.418 -1.549 -16.646 1.00 0.00 H new ATOM 0 HB THR A 87 -3.794 -0.320 -13.933 1.00 0.00 H new ATOM 0 HG1 THR A 87 -5.949 0.574 -14.143 1.00 0.00 H new ATOM 0 HG21 THR A 87 -4.153 1.820 -15.109 1.00 0.00 H new ATOM 0 HG22 THR A 87 -2.821 0.887 -15.832 1.00 0.00 H new ATOM 0 HG23 THR A 87 -4.410 0.934 -16.631 1.00 0.00 H new ATOM 1296 N TYR A 88 -1.786 -1.670 -14.626 1.00 0.00 N ATOM 1297 CA TYR A 88 -0.332 -1.770 -14.601 1.00 0.00 C ATOM 1298 C TYR A 88 0.163 -2.778 -15.633 1.00 0.00 C ATOM 1299 O TYR A 88 0.931 -2.436 -16.533 1.00 0.00 O ATOM 1300 CB TYR A 88 0.149 -2.173 -13.206 1.00 0.00 C ATOM 1301 CG TYR A 88 1.527 -1.651 -12.866 1.00 0.00 C ATOM 1302 CD1 TYR A 88 1.853 -0.315 -13.064 1.00 0.00 C ATOM 1303 CD2 TYR A 88 2.502 -2.493 -12.346 1.00 0.00 C ATOM 1304 CE1 TYR A 88 3.110 0.167 -12.755 1.00 0.00 C ATOM 1305 CE2 TYR A 88 3.761 -2.019 -12.033 1.00 0.00 C ATOM 1306 CZ TYR A 88 4.061 -0.689 -12.240 1.00 0.00 C ATOM 1307 OH TYR A 88 5.314 -0.213 -11.930 1.00 0.00 O ATOM 0 H TYR A 88 -2.217 -1.564 -13.708 1.00 0.00 H new ATOM 0 HA TYR A 88 0.078 -0.791 -14.851 1.00 0.00 H new ATOM 0 HB2 TYR A 88 -0.562 -1.806 -12.466 1.00 0.00 H new ATOM 0 HB3 TYR A 88 0.153 -3.261 -13.132 1.00 0.00 H new ATOM 0 HD1 TYR A 88 1.111 0.358 -13.467 1.00 0.00 H new ATOM 0 HD2 TYR A 88 2.272 -3.536 -12.184 1.00 0.00 H new ATOM 0 HE1 TYR A 88 3.347 1.208 -12.916 1.00 0.00 H new ATOM 0 HE2 TYR A 88 4.507 -2.687 -11.628 1.00 0.00 H new ATOM 0 HH TYR A 88 5.935 -0.427 -12.658 1.00 0.00 H new ATOM 1317 N ARG A 89 -0.283 -4.022 -15.497 1.00 0.00 N ATOM 1318 CA ARG A 89 0.113 -5.081 -16.417 1.00 0.00 C ATOM 1319 C ARG A 89 -0.125 -4.662 -17.864 1.00 0.00 C ATOM 1320 O ARG A 89 0.706 -4.911 -18.739 1.00 0.00 O ATOM 1321 CB ARG A 89 -0.660 -6.366 -16.113 1.00 0.00 C ATOM 1322 CG ARG A 89 -0.111 -7.141 -14.926 1.00 0.00 C ATOM 1323 CD ARG A 89 -0.484 -8.613 -15.002 1.00 0.00 C ATOM 1324 NE ARG A 89 -0.153 -9.326 -13.771 1.00 0.00 N ATOM 1325 CZ ARG A 89 -0.209 -10.647 -13.649 1.00 0.00 C ATOM 1326 NH1 ARG A 89 -0.580 -11.396 -14.678 1.00 0.00 N ATOM 1327 NH2 ARG A 89 0.108 -11.222 -12.496 1.00 0.00 N ATOM 0 H ARG A 89 -0.919 -4.322 -14.758 1.00 0.00 H new ATOM 0 HA ARG A 89 1.179 -5.265 -16.281 1.00 0.00 H new ATOM 0 HB2 ARG A 89 -1.703 -6.116 -15.921 1.00 0.00 H new ATOM 0 HB3 ARG A 89 -0.643 -7.007 -16.994 1.00 0.00 H new ATOM 0 HG2 ARG A 89 0.974 -7.040 -14.895 1.00 0.00 H new ATOM 0 HG3 ARG A 89 -0.498 -6.714 -14.001 1.00 0.00 H new ATOM 0 HD2 ARG A 89 -1.552 -8.707 -15.199 1.00 0.00 H new ATOM 0 HD3 ARG A 89 0.037 -9.076 -15.840 1.00 0.00 H new ATOM 0 HE ARG A 89 0.137 -8.779 -12.960 1.00 0.00 H new ATOM 0 HH11 ARG A 89 -0.823 -10.958 -15.566 1.00 0.00 H new ATOM 0 HH12 ARG A 89 -0.622 -12.411 -14.581 1.00 0.00 H new ATOM 0 HH21 ARG A 89 0.395 -10.649 -11.702 1.00 0.00 H new ATOM 0 HH22 ARG A 89 0.065 -12.237 -12.403 1.00 0.00 H new ATOM 1341 N LEU A 90 -1.264 -4.024 -18.110 1.00 0.00 N ATOM 1342 CA LEU A 90 -1.612 -3.570 -19.452 1.00 0.00 C ATOM 1343 C LEU A 90 -0.677 -2.455 -19.910 1.00 0.00 C ATOM 1344 O LEU A 90 -0.387 -2.322 -21.099 1.00 0.00 O ATOM 1345 CB LEU A 90 -3.061 -3.082 -19.487 1.00 0.00 C ATOM 1346 CG LEU A 90 -4.137 -4.165 -19.394 1.00 0.00 C ATOM 1347 CD1 LEU A 90 -5.500 -3.543 -19.136 1.00 0.00 C ATOM 1348 CD2 LEU A 90 -4.162 -5.002 -20.665 1.00 0.00 C ATOM 0 H LEU A 90 -1.962 -3.809 -17.398 1.00 0.00 H new ATOM 0 HA LEU A 90 -1.502 -4.414 -20.133 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -3.207 -2.381 -18.665 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -3.213 -2.525 -20.411 1.00 0.00 H new ATOM 0 HG LEU A 90 -3.895 -4.819 -18.556 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -6.253 -4.329 -19.073 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -5.475 -2.988 -18.198 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -5.751 -2.865 -19.952 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -4.933 -5.768 -20.581 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -4.379 -4.360 -21.519 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -3.192 -5.478 -20.806 1.00 0.00 H new ATOM 1360 N LEU A 91 -0.206 -1.658 -18.957 1.00 0.00 N ATOM 1361 CA LEU A 91 0.699 -0.555 -19.262 1.00 0.00 C ATOM 1362 C LEU A 91 2.100 -1.071 -19.576 1.00 0.00 C ATOM 1363 O LEU A 91 2.811 -0.504 -20.406 1.00 0.00 O ATOM 1364 CB LEU A 91 0.755 0.424 -18.087 1.00 0.00 C ATOM 1365 CG LEU A 91 -0.592 0.925 -17.567 1.00 0.00 C ATOM 1366 CD1 LEU A 91 -0.497 1.275 -16.090 1.00 0.00 C ATOM 1367 CD2 LEU A 91 -1.061 2.128 -18.372 1.00 0.00 C ATOM 0 H LEU A 91 -0.435 -1.755 -17.968 1.00 0.00 H new ATOM 0 HA LEU A 91 0.317 -0.036 -20.142 1.00 0.00 H new ATOM 0 HB2 LEU A 91 1.283 -0.057 -17.264 1.00 0.00 H new ATOM 0 HB3 LEU A 91 1.350 1.287 -18.387 1.00 0.00 H new ATOM 0 HG LEU A 91 -1.324 0.126 -17.684 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -1.465 1.630 -15.737 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -0.207 0.390 -15.524 1.00 0.00 H new ATOM 0 HD13 LEU A 91 0.249 2.057 -15.949 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -2.022 2.471 -17.988 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -0.329 2.931 -18.287 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -1.169 1.845 -19.419 1.00 0.00 H new ATOM 1379 N THR A 92 2.490 -2.152 -18.908 1.00 0.00 N ATOM 1380 CA THR A 92 3.805 -2.745 -19.116 1.00 0.00 C ATOM 1381 C THR A 92 3.746 -3.863 -20.151 1.00 0.00 C ATOM 1382 O THR A 92 4.594 -4.754 -20.166 1.00 0.00 O ATOM 1383 CB THR A 92 4.382 -3.308 -17.803 1.00 0.00 C ATOM 1384 OG1 THR A 92 3.648 -4.470 -17.404 1.00 0.00 O ATOM 1385 CG2 THR A 92 4.329 -2.264 -16.698 1.00 0.00 C ATOM 0 H THR A 92 1.914 -2.635 -18.218 1.00 0.00 H new ATOM 0 HA THR A 92 4.456 -1.950 -19.479 1.00 0.00 H new ATOM 0 HB THR A 92 5.424 -3.579 -17.976 1.00 0.00 H new ATOM 0 HG1 THR A 92 4.022 -4.823 -16.570 1.00 0.00 H new ATOM 0 HG21 THR A 92 4.742 -2.684 -15.781 1.00 0.00 H new ATOM 0 HG22 THR A 92 4.913 -1.392 -16.993 1.00 0.00 H new ATOM 0 HG23 THR A 92 3.294 -1.967 -16.528 1.00 0.00 H new ATOM 1393 N GLY A 93 2.739 -3.808 -21.018 1.00 0.00 N ATOM 1394 CA GLY A 93 2.589 -4.822 -22.046 1.00 0.00 C ATOM 1395 C GLY A 93 3.003 -4.324 -23.416 1.00 0.00 C ATOM 1396 O GLY A 93 4.097 -4.631 -23.890 1.00 0.00 O ATOM 0 H GLY A 93 2.025 -3.080 -21.027 1.00 0.00 H new ATOM 0 HA2 GLY A 93 3.189 -5.693 -21.783 1.00 0.00 H new ATOM 0 HA3 GLY A 93 1.550 -5.149 -22.080 1.00 0.00 H new ATOM 1400 N GLN A 94 2.127 -3.554 -24.054 1.00 0.00 N ATOM 1401 CA GLN A 94 2.408 -3.015 -25.380 1.00 0.00 C ATOM 1402 C GLN A 94 3.713 -2.225 -25.381 1.00 0.00 C ATOM 1403 O GLN A 94 4.127 -1.690 -24.352 1.00 0.00 O ATOM 1404 CB GLN A 94 1.257 -2.122 -25.845 1.00 0.00 C ATOM 1405 CG GLN A 94 1.120 -2.043 -27.357 1.00 0.00 C ATOM 1406 CD GLN A 94 0.445 -0.766 -27.816 1.00 0.00 C ATOM 1407 OE1 GLN A 94 -0.741 -0.551 -27.562 1.00 0.00 O ATOM 1408 NE2 GLN A 94 1.197 0.091 -28.496 1.00 0.00 N ATOM 0 H GLN A 94 1.218 -3.290 -23.675 1.00 0.00 H new ATOM 0 HA GLN A 94 2.511 -3.852 -26.071 1.00 0.00 H new ATOM 0 HB2 GLN A 94 0.324 -2.497 -25.423 1.00 0.00 H new ATOM 0 HB3 GLN A 94 1.405 -1.117 -25.449 1.00 0.00 H new ATOM 0 HG2 GLN A 94 2.108 -2.111 -27.812 1.00 0.00 H new ATOM 0 HG3 GLN A 94 0.547 -2.900 -27.711 1.00 0.00 H new ATOM 0 HE21 GLN A 94 2.175 -0.127 -28.684 1.00 0.00 H new ATOM 0 HE22 GLN A 94 0.796 0.967 -28.830 1.00 0.00 H new TER 1417 GLN A 94