USER MOD reduce.3.24.130724 H: found=0, std=0, add=1074, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 1075 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 90 LYS NZ :NH3+ -156:sc= -1.13 (180deg=-1.4) USER MOD Set 1.2: A 95 HIS :FLIP no HD1:sc= -0.334 F(o=-3.6,f=-1.5) USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 HIS : no HD1:sc= -3.51! C(o=-3.5!,f=-5.2!) USER MOD Single : A 28 ASN : amide:sc= 0.0283 K(o=0.028,f=-1.9!) USER MOD Single : A 33 MET CE :methyl -143:sc= -0.521 (180deg=-2.69!) USER MOD Single : A 37 MET CE :methyl -140:sc= -1.77 (180deg=-2.77!) USER MOD Single : A 38 THR OG1 : rot 180:sc= 0.129 USER MOD Single : A 40 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 SER OG : rot -35:sc= 0.46 USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 SER OG : rot -100:sc= -0.846 USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 73 HIS : no HD1:sc= -0.418 X(o=-0.42,f=-0.013) USER MOD Single : A 75 THR OG1 : rot 57:sc= -1.14! USER MOD Single : A 81 SER OG : rot -146:sc= -4.16! USER MOD Single : A 82 LYS NZ :NH3+ 144:sc= 0 (180deg=-0.289) USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 THR OG1 : rot 180:sc= -0.77 USER MOD Single : A 99 THR OG1 : rot -160:sc= -0.325 USER MOD Single : A 101 MET CE :methyl -132:sc= -0.344 (180deg=-1.24) USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 109 HIS : no HD1:sc= -3.47 K(o=-3.5,f=-4.7!) USER MOD Single : A 116 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 119 THR OG1 : rot 180:sc= 0 USER MOD Single : A 121 HIS : no HD1:sc= -0.79 X(o=-0.79,f=-1.2) USER MOD Single : A 122 MET CE :methyl 157:sc=-0.00884 (180deg=-0.633) USER MOD Single : A 123 MET CE :methyl -144:sc= -1.73 (180deg=-3.48!) USER MOD Single : A 133 LYS NZ :NH3+ 152:sc= -0.215 (180deg=-0.726!) USER MOD ----------------------------------------------------------------- ATOM 42 N GLY A 3 -3.875 2.135 12.524 1.00 0.00 N ATOM 43 CA GLY A 3 -3.800 3.096 11.439 1.00 0.00 C ATOM 44 C GLY A 3 -4.592 2.670 10.217 1.00 0.00 C ATOM 45 O GLY A 3 -4.788 3.467 9.306 1.00 0.00 O ATOM 0 HA2 GLY A 3 -4.170 4.060 11.788 1.00 0.00 H new ATOM 0 HA3 GLY A 3 -2.757 3.238 11.158 1.00 0.00 H new ATOM 49 N PHE A 4 -5.049 1.418 10.194 1.00 0.00 N ATOM 50 CA PHE A 4 -5.832 0.911 9.067 1.00 0.00 C ATOM 51 C PHE A 4 -6.945 -0.023 9.555 1.00 0.00 C ATOM 52 O PHE A 4 -6.734 -0.827 10.463 1.00 0.00 O ATOM 53 CB PHE A 4 -4.908 0.200 8.066 1.00 0.00 C ATOM 54 CG PHE A 4 -5.139 -1.282 7.948 1.00 0.00 C ATOM 55 CD1 PHE A 4 -6.062 -1.780 7.043 1.00 0.00 C ATOM 56 CD2 PHE A 4 -4.437 -2.172 8.744 1.00 0.00 C ATOM 57 CE1 PHE A 4 -6.281 -3.140 6.935 1.00 0.00 C ATOM 58 CE2 PHE A 4 -4.651 -3.533 8.638 1.00 0.00 C ATOM 59 CZ PHE A 4 -5.574 -4.018 7.733 1.00 0.00 C ATOM 0 H PHE A 4 -4.892 0.739 10.939 1.00 0.00 H new ATOM 0 HA PHE A 4 -6.307 1.751 8.561 1.00 0.00 H new ATOM 0 HB2 PHE A 4 -5.039 0.655 7.084 1.00 0.00 H new ATOM 0 HB3 PHE A 4 -3.873 0.371 8.361 1.00 0.00 H new ATOM 0 HD1 PHE A 4 -6.616 -1.098 6.415 1.00 0.00 H new ATOM 0 HD2 PHE A 4 -3.715 -1.798 9.455 1.00 0.00 H new ATOM 0 HE1 PHE A 4 -7.005 -3.516 6.227 1.00 0.00 H new ATOM 0 HE2 PHE A 4 -4.096 -4.217 9.263 1.00 0.00 H new ATOM 0 HZ PHE A 4 -5.743 -5.081 7.649 1.00 0.00 H new ATOM 69 N GLU A 5 -8.129 0.086 8.950 1.00 0.00 N ATOM 70 CA GLU A 5 -9.263 -0.755 9.338 1.00 0.00 C ATOM 71 C GLU A 5 -10.179 -1.061 8.149 1.00 0.00 C ATOM 72 O GLU A 5 -10.262 -0.283 7.203 1.00 0.00 O ATOM 73 CB GLU A 5 -10.067 -0.077 10.448 1.00 0.00 C ATOM 74 CG GLU A 5 -10.731 1.219 10.014 1.00 0.00 C ATOM 75 CD GLU A 5 -11.833 1.655 10.960 1.00 0.00 C ATOM 76 OE1 GLU A 5 -11.514 2.262 12.003 1.00 0.00 O ATOM 77 OE2 GLU A 5 -13.015 1.389 10.657 1.00 0.00 O ATOM 0 H GLU A 5 -8.327 0.743 8.195 1.00 0.00 H new ATOM 0 HA GLU A 5 -8.860 -1.700 9.702 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -10.833 -0.766 10.803 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -9.406 0.127 11.291 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -9.979 2.005 9.952 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -11.145 1.094 9.013 1.00 0.00 H new ATOM 84 N PHE A 6 -10.883 -2.191 8.220 1.00 0.00 N ATOM 85 CA PHE A 6 -11.817 -2.592 7.166 1.00 0.00 C ATOM 86 C PHE A 6 -13.251 -2.480 7.681 1.00 0.00 C ATOM 87 O PHE A 6 -13.494 -2.660 8.875 1.00 0.00 O ATOM 88 CB PHE A 6 -11.531 -4.022 6.706 1.00 0.00 C ATOM 89 CG PHE A 6 -11.564 -5.032 7.818 1.00 0.00 C ATOM 90 CD1 PHE A 6 -10.453 -5.235 8.621 1.00 0.00 C ATOM 91 CD2 PHE A 6 -12.707 -5.778 8.060 1.00 0.00 C ATOM 92 CE1 PHE A 6 -10.480 -6.163 9.644 1.00 0.00 C ATOM 93 CE2 PHE A 6 -12.740 -6.709 9.082 1.00 0.00 C ATOM 94 CZ PHE A 6 -11.625 -6.901 9.875 1.00 0.00 C ATOM 0 H PHE A 6 -10.824 -2.847 8.999 1.00 0.00 H new ATOM 0 HA PHE A 6 -11.688 -1.928 6.312 1.00 0.00 H new ATOM 0 HB2 PHE A 6 -12.263 -4.304 5.949 1.00 0.00 H new ATOM 0 HB3 PHE A 6 -10.551 -4.052 6.229 1.00 0.00 H new ATOM 0 HD1 PHE A 6 -9.555 -4.661 8.445 1.00 0.00 H new ATOM 0 HD2 PHE A 6 -13.581 -5.630 7.444 1.00 0.00 H new ATOM 0 HE1 PHE A 6 -9.607 -6.311 10.262 1.00 0.00 H new ATOM 0 HE2 PHE A 6 -13.636 -7.285 9.260 1.00 0.00 H new ATOM 0 HZ PHE A 6 -11.648 -7.627 10.674 1.00 0.00 H new ATOM 104 N PHE A 7 -14.201 -2.146 6.803 1.00 0.00 N ATOM 105 CA PHE A 7 -15.590 -1.982 7.246 1.00 0.00 C ATOM 106 C PHE A 7 -16.602 -2.916 6.561 1.00 0.00 C ATOM 107 O PHE A 7 -16.518 -3.208 5.369 1.00 0.00 O ATOM 108 CB PHE A 7 -16.040 -0.525 7.068 1.00 0.00 C ATOM 109 CG PHE A 7 -15.451 0.170 5.868 1.00 0.00 C ATOM 110 CD1 PHE A 7 -15.460 -0.436 4.623 1.00 0.00 C ATOM 111 CD2 PHE A 7 -14.890 1.433 5.990 1.00 0.00 C ATOM 112 CE1 PHE A 7 -14.925 0.199 3.521 1.00 0.00 C ATOM 113 CE2 PHE A 7 -14.350 2.077 4.891 1.00 0.00 C ATOM 114 CZ PHE A 7 -14.366 1.464 3.654 1.00 0.00 C ATOM 0 H PHE A 7 -14.042 -1.987 5.808 1.00 0.00 H new ATOM 0 HA PHE A 7 -15.585 -2.263 8.299 1.00 0.00 H new ATOM 0 HB2 PHE A 7 -17.127 -0.501 6.988 1.00 0.00 H new ATOM 0 HB3 PHE A 7 -15.774 0.036 7.964 1.00 0.00 H new ATOM 0 HD1 PHE A 7 -15.892 -1.420 4.513 1.00 0.00 H new ATOM 0 HD2 PHE A 7 -14.875 1.919 6.954 1.00 0.00 H new ATOM 0 HE1 PHE A 7 -14.941 -0.287 2.556 1.00 0.00 H new ATOM 0 HE2 PHE A 7 -13.916 3.060 5.001 1.00 0.00 H new ATOM 0 HZ PHE A 7 -13.946 1.965 2.794 1.00 0.00 H new ATOM 124 N ASP A 8 -17.591 -3.322 7.365 1.00 0.00 N ATOM 125 CA ASP A 8 -18.720 -4.170 6.951 1.00 0.00 C ATOM 126 C ASP A 8 -18.429 -5.189 5.846 1.00 0.00 C ATOM 127 O ASP A 8 -19.345 -5.571 5.117 1.00 0.00 O ATOM 128 CB ASP A 8 -19.855 -3.275 6.484 1.00 0.00 C ATOM 129 CG ASP A 8 -21.220 -3.807 6.875 1.00 0.00 C ATOM 130 OD1 ASP A 8 -21.469 -3.966 8.088 1.00 0.00 O ATOM 131 OD2 ASP A 8 -22.039 -4.063 5.967 1.00 0.00 O ATOM 0 H ASP A 8 -17.631 -3.063 8.351 1.00 0.00 H new ATOM 0 HA ASP A 8 -18.968 -4.760 7.833 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -19.724 -2.279 6.906 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -19.807 -3.171 5.400 1.00 0.00 H new ATOM 136 N VAL A 9 -17.199 -5.643 5.712 1.00 0.00 N ATOM 137 CA VAL A 9 -16.894 -6.630 4.673 1.00 0.00 C ATOM 138 C VAL A 9 -16.666 -8.026 5.238 1.00 0.00 C ATOM 139 O VAL A 9 -16.194 -8.186 6.363 1.00 0.00 O ATOM 140 CB VAL A 9 -15.678 -6.250 3.817 1.00 0.00 C ATOM 141 CG1 VAL A 9 -14.380 -6.322 4.612 1.00 0.00 C ATOM 142 CG2 VAL A 9 -15.629 -7.133 2.585 1.00 0.00 C ATOM 0 H VAL A 9 -16.407 -5.359 6.288 1.00 0.00 H new ATOM 0 HA VAL A 9 -17.782 -6.636 4.041 1.00 0.00 H new ATOM 0 HB VAL A 9 -15.787 -5.212 3.501 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -13.544 -6.046 3.969 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -14.432 -5.634 5.456 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -14.235 -7.338 4.980 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -14.765 -6.863 1.978 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -15.547 -8.177 2.888 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -16.540 -6.995 2.002 1.00 0.00 H new ATOM 152 N THR A 10 -16.985 -9.037 4.428 1.00 0.00 N ATOM 153 CA THR A 10 -16.795 -10.420 4.827 1.00 0.00 C ATOM 154 C THR A 10 -15.340 -10.674 5.162 1.00 0.00 C ATOM 155 O THR A 10 -15.020 -11.415 6.091 1.00 0.00 O ATOM 156 CB THR A 10 -17.257 -11.370 3.721 1.00 0.00 C ATOM 157 OG1 THR A 10 -18.501 -10.953 3.189 1.00 0.00 O ATOM 158 CG2 THR A 10 -17.413 -12.802 4.187 1.00 0.00 C ATOM 0 H THR A 10 -17.376 -8.917 3.493 1.00 0.00 H new ATOM 0 HA THR A 10 -17.398 -10.607 5.715 1.00 0.00 H new ATOM 0 HB THR A 10 -16.473 -11.335 2.965 1.00 0.00 H new ATOM 0 HG1 THR A 10 -18.779 -11.572 2.482 1.00 0.00 H new ATOM 0 HG21 THR A 10 -17.743 -13.422 3.353 1.00 0.00 H new ATOM 0 HG22 THR A 10 -16.456 -13.171 4.557 1.00 0.00 H new ATOM 0 HG23 THR A 10 -18.152 -12.846 4.987 1.00 0.00 H new ATOM 166 N ALA A 11 -14.464 -10.040 4.405 1.00 0.00 N ATOM 167 CA ALA A 11 -13.041 -10.177 4.620 1.00 0.00 C ATOM 168 C ALA A 11 -12.295 -9.017 3.991 1.00 0.00 C ATOM 169 O ALA A 11 -11.367 -8.468 4.584 1.00 0.00 O ATOM 170 CB ALA A 11 -12.544 -11.501 4.060 1.00 0.00 C ATOM 0 H ALA A 11 -14.717 -9.423 3.633 1.00 0.00 H new ATOM 0 HA ALA A 11 -12.850 -10.165 5.693 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -11.471 -11.588 4.230 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -13.058 -12.323 4.558 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -12.746 -11.542 2.990 1.00 0.00 H new ATOM 176 N ASP A 12 -12.697 -8.648 2.779 1.00 0.00 N ATOM 177 CA ASP A 12 -12.032 -7.539 2.085 1.00 0.00 C ATOM 178 C ASP A 12 -12.962 -6.436 1.611 1.00 0.00 C ATOM 179 O ASP A 12 -13.819 -6.643 0.753 1.00 0.00 O ATOM 180 CB ASP A 12 -11.281 -8.010 0.872 1.00 0.00 C ATOM 181 CG ASP A 12 -10.854 -9.465 0.942 1.00 0.00 C ATOM 182 OD1 ASP A 12 -10.606 -9.959 2.062 1.00 0.00 O ATOM 183 OD2 ASP A 12 -10.763 -10.109 -0.123 1.00 0.00 O ATOM 0 H ASP A 12 -13.461 -9.085 2.263 1.00 0.00 H new ATOM 0 HA ASP A 12 -11.365 -7.135 2.847 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -11.906 -7.867 -0.009 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -10.396 -7.387 0.740 1.00 0.00 H new ATOM 188 N ALA A 13 -12.707 -5.256 2.117 1.00 0.00 N ATOM 189 CA ALA A 13 -13.429 -4.052 1.731 1.00 0.00 C ATOM 190 C ALA A 13 -12.546 -2.843 1.866 1.00 0.00 C ATOM 191 O ALA A 13 -11.509 -2.900 2.528 1.00 0.00 O ATOM 192 CB ALA A 13 -14.671 -3.841 2.537 1.00 0.00 C ATOM 0 H ALA A 13 -11.984 -5.094 2.818 1.00 0.00 H new ATOM 0 HA ALA A 13 -13.723 -4.190 0.691 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -15.169 -2.929 2.206 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -15.341 -4.690 2.402 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -14.409 -3.750 3.591 1.00 0.00 H new ATOM 198 N GLY A 14 -12.974 -1.734 1.283 1.00 0.00 N ATOM 199 CA GLY A 14 -12.210 -0.518 1.416 1.00 0.00 C ATOM 200 C GLY A 14 -11.749 -0.352 2.839 1.00 0.00 C ATOM 201 O GLY A 14 -12.530 -0.521 3.772 1.00 0.00 O ATOM 0 H GLY A 14 -13.826 -1.656 0.728 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -11.350 -0.544 0.747 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -12.818 0.337 1.120 1.00 0.00 H new ATOM 205 N PHE A 15 -10.485 -0.062 3.025 1.00 0.00 N ATOM 206 CA PHE A 15 -9.966 0.081 4.364 1.00 0.00 C ATOM 207 C PHE A 15 -9.747 1.538 4.670 1.00 0.00 C ATOM 208 O PHE A 15 -9.498 2.341 3.774 1.00 0.00 O ATOM 209 CB PHE A 15 -8.657 -0.691 4.529 1.00 0.00 C ATOM 210 CG PHE A 15 -8.641 -2.015 3.818 1.00 0.00 C ATOM 211 CD1 PHE A 15 -8.485 -2.076 2.443 1.00 0.00 C ATOM 212 CD2 PHE A 15 -8.784 -3.198 4.526 1.00 0.00 C ATOM 213 CE1 PHE A 15 -8.472 -3.292 1.787 1.00 0.00 C ATOM 214 CE2 PHE A 15 -8.773 -4.417 3.875 1.00 0.00 C ATOM 215 CZ PHE A 15 -8.616 -4.464 2.504 1.00 0.00 C ATOM 0 H PHE A 15 -9.804 0.078 2.278 1.00 0.00 H new ATOM 0 HA PHE A 15 -10.694 -0.332 5.063 1.00 0.00 H new ATOM 0 HB2 PHE A 15 -7.835 -0.079 4.157 1.00 0.00 H new ATOM 0 HB3 PHE A 15 -8.475 -0.857 5.591 1.00 0.00 H new ATOM 0 HD1 PHE A 15 -8.372 -1.163 1.877 1.00 0.00 H new ATOM 0 HD2 PHE A 15 -8.905 -3.167 5.599 1.00 0.00 H new ATOM 0 HE1 PHE A 15 -8.349 -3.326 0.715 1.00 0.00 H new ATOM 0 HE2 PHE A 15 -8.887 -5.332 4.438 1.00 0.00 H new ATOM 0 HZ PHE A 15 -8.606 -5.415 1.993 1.00 0.00 H new ATOM 225 N TRP A 16 -9.835 1.879 5.936 1.00 0.00 N ATOM 226 CA TRP A 16 -9.636 3.251 6.338 1.00 0.00 C ATOM 227 C TRP A 16 -8.326 3.357 7.081 1.00 0.00 C ATOM 228 O TRP A 16 -8.092 2.655 8.063 1.00 0.00 O ATOM 229 CB TRP A 16 -10.792 3.724 7.225 1.00 0.00 C ATOM 230 CG TRP A 16 -11.511 4.920 6.679 1.00 0.00 C ATOM 231 CD1 TRP A 16 -10.959 5.970 6.002 1.00 0.00 C ATOM 232 CD2 TRP A 16 -12.915 5.190 6.764 1.00 0.00 C ATOM 233 NE1 TRP A 16 -11.934 6.875 5.662 1.00 0.00 N ATOM 234 CE2 TRP A 16 -13.143 6.419 6.118 1.00 0.00 C ATOM 235 CE3 TRP A 16 -14.002 4.510 7.323 1.00 0.00 C ATOM 236 CZ2 TRP A 16 -14.412 6.983 6.017 1.00 0.00 C ATOM 237 CZ3 TRP A 16 -15.261 5.072 7.222 1.00 0.00 C ATOM 238 CH2 TRP A 16 -15.457 6.296 6.573 1.00 0.00 C ATOM 0 H TRP A 16 -10.041 1.232 6.697 1.00 0.00 H new ATOM 0 HA TRP A 16 -9.608 3.888 5.454 1.00 0.00 H new ATOM 0 HB2 TRP A 16 -11.503 2.907 7.348 1.00 0.00 H new ATOM 0 HB3 TRP A 16 -10.406 3.963 8.216 1.00 0.00 H new ATOM 0 HD1 TRP A 16 -9.910 6.073 5.768 1.00 0.00 H new ATOM 0 HE1 TRP A 16 -11.783 7.746 5.153 1.00 0.00 H new ATOM 0 HE3 TRP A 16 -13.860 3.564 7.824 1.00 0.00 H new ATOM 0 HZ2 TRP A 16 -14.566 7.928 5.518 1.00 0.00 H new ATOM 0 HZ3 TRP A 16 -16.108 4.557 7.651 1.00 0.00 H new ATOM 0 HH2 TRP A 16 -16.454 6.707 6.509 1.00 0.00 H new ATOM 249 N ALA A 17 -7.475 4.235 6.589 1.00 0.00 N ATOM 250 CA ALA A 17 -6.171 4.444 7.174 1.00 0.00 C ATOM 251 C ALA A 17 -6.016 5.863 7.603 1.00 0.00 C ATOM 252 O ALA A 17 -6.804 6.727 7.233 1.00 0.00 O ATOM 253 CB ALA A 17 -5.068 4.041 6.207 1.00 0.00 C ATOM 0 H ALA A 17 -7.669 4.820 5.776 1.00 0.00 H new ATOM 0 HA ALA A 17 -6.085 3.809 8.056 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -4.097 4.209 6.673 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -5.173 2.986 5.955 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -5.143 4.640 5.299 1.00 0.00 H new ATOM 259 N TYR A 18 -5.028 6.091 8.434 1.00 0.00 N ATOM 260 CA TYR A 18 -4.810 7.408 8.955 1.00 0.00 C ATOM 261 C TYR A 18 -3.346 7.816 8.901 1.00 0.00 C ATOM 262 O TYR A 18 -2.445 6.976 8.898 1.00 0.00 O ATOM 263 CB TYR A 18 -5.325 7.457 10.378 1.00 0.00 C ATOM 264 CG TYR A 18 -6.749 6.975 10.536 1.00 0.00 C ATOM 265 CD1 TYR A 18 -7.073 5.633 10.384 1.00 0.00 C ATOM 266 CD2 TYR A 18 -7.769 7.867 10.840 1.00 0.00 C ATOM 267 CE1 TYR A 18 -8.375 5.194 10.533 1.00 0.00 C ATOM 268 CE2 TYR A 18 -9.072 7.436 10.991 1.00 0.00 C ATOM 269 CZ TYR A 18 -9.371 6.099 10.835 1.00 0.00 C ATOM 270 OH TYR A 18 -10.669 5.665 10.985 1.00 0.00 O ATOM 0 H TYR A 18 -4.369 5.384 8.759 1.00 0.00 H new ATOM 0 HA TYR A 18 -5.352 8.120 8.332 1.00 0.00 H new ATOM 0 HB2 TYR A 18 -4.675 6.851 11.009 1.00 0.00 H new ATOM 0 HB3 TYR A 18 -5.257 8.482 10.742 1.00 0.00 H new ATOM 0 HD1 TYR A 18 -6.296 4.922 10.146 1.00 0.00 H new ATOM 0 HD2 TYR A 18 -7.539 8.915 10.960 1.00 0.00 H new ATOM 0 HE1 TYR A 18 -8.611 4.147 10.413 1.00 0.00 H new ATOM 0 HE2 TYR A 18 -9.853 8.143 11.230 1.00 0.00 H new ATOM 0 HH TYR A 18 -11.247 6.428 11.197 1.00 0.00 H new ATOM 280 N GLY A 19 -3.131 9.123 8.849 1.00 0.00 N ATOM 281 CA GLY A 19 -1.794 9.667 8.782 1.00 0.00 C ATOM 282 C GLY A 19 -1.412 10.459 9.981 1.00 0.00 C ATOM 283 O GLY A 19 -1.705 10.110 11.123 1.00 0.00 O ATOM 0 H GLY A 19 -3.872 9.824 8.852 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -1.084 8.849 8.656 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -1.712 10.299 7.898 1.00 0.00 H new ATOM 287 N HIS A 20 -0.700 11.515 9.683 1.00 0.00 N ATOM 288 CA HIS A 20 -0.171 12.407 10.661 1.00 0.00 C ATOM 289 C HIS A 20 0.699 13.444 9.963 1.00 0.00 C ATOM 290 O HIS A 20 0.827 14.581 10.415 1.00 0.00 O ATOM 291 CB HIS A 20 0.619 11.581 11.658 1.00 0.00 C ATOM 292 CG HIS A 20 2.100 11.808 11.651 1.00 0.00 C ATOM 293 ND1 HIS A 20 2.993 10.831 11.272 1.00 0.00 N ATOM 294 CD2 HIS A 20 2.843 12.902 11.944 1.00 0.00 C ATOM 295 CE1 HIS A 20 4.219 11.307 11.327 1.00 0.00 C ATOM 296 NE2 HIS A 20 4.160 12.563 11.734 1.00 0.00 N ATOM 0 H HIS A 20 -0.470 11.778 8.725 1.00 0.00 H new ATOM 0 HA HIS A 20 -0.958 12.941 11.193 1.00 0.00 H new ATOM 0 HB2 HIS A 20 0.241 11.791 12.659 1.00 0.00 H new ATOM 0 HB3 HIS A 20 0.429 10.526 11.461 1.00 0.00 H new ATOM 0 HD2 HIS A 20 2.472 13.859 12.279 1.00 0.00 H new ATOM 0 HE1 HIS A 20 5.120 10.764 11.081 1.00 0.00 H new ATOM 0 HE2 HIS A 20 4.960 13.180 11.870 1.00 0.00 H new ATOM 305 N ASP A 21 1.284 13.028 8.841 1.00 0.00 N ATOM 306 CA ASP A 21 2.137 13.908 8.050 1.00 0.00 C ATOM 307 C ASP A 21 2.079 13.523 6.578 1.00 0.00 C ATOM 308 O ASP A 21 3.067 13.642 5.854 1.00 0.00 O ATOM 309 CB ASP A 21 3.576 13.833 8.550 1.00 0.00 C ATOM 310 CG ASP A 21 4.373 15.077 8.212 1.00 0.00 C ATOM 311 OD1 ASP A 21 4.024 16.163 8.723 1.00 0.00 O ATOM 312 OD2 ASP A 21 5.346 14.967 7.438 1.00 0.00 O ATOM 0 H ASP A 21 1.182 12.087 8.461 1.00 0.00 H new ATOM 0 HA ASP A 21 1.775 14.930 8.159 1.00 0.00 H new ATOM 0 HB2 ASP A 21 3.575 13.688 9.630 1.00 0.00 H new ATOM 0 HB3 ASP A 21 4.064 12.962 8.112 1.00 0.00 H new ATOM 317 N LEU A 22 0.914 13.044 6.151 1.00 0.00 N ATOM 318 CA LEU A 22 0.703 12.615 4.772 1.00 0.00 C ATOM 319 C LEU A 22 1.390 11.281 4.533 1.00 0.00 C ATOM 320 O LEU A 22 0.749 10.292 4.187 1.00 0.00 O ATOM 321 CB LEU A 22 1.212 13.665 3.778 1.00 0.00 C ATOM 322 CG LEU A 22 0.639 15.073 3.977 1.00 0.00 C ATOM 323 CD1 LEU A 22 1.756 16.103 4.055 1.00 0.00 C ATOM 324 CD2 LEU A 22 -0.331 15.418 2.854 1.00 0.00 C ATOM 0 H LEU A 22 0.093 12.943 6.748 1.00 0.00 H new ATOM 0 HA LEU A 22 -0.369 12.498 4.612 1.00 0.00 H new ATOM 0 HB2 LEU A 22 2.298 13.717 3.851 1.00 0.00 H new ATOM 0 HB3 LEU A 22 0.976 13.332 2.767 1.00 0.00 H new ATOM 0 HG LEU A 22 0.094 15.090 4.921 1.00 0.00 H new ATOM 0 HD11 LEU A 22 1.327 17.095 4.196 1.00 0.00 H new ATOM 0 HD12 LEU A 22 2.410 15.868 4.895 1.00 0.00 H new ATOM 0 HD13 LEU A 22 2.332 16.085 3.130 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -0.728 16.421 3.011 1.00 0.00 H new ATOM 0 HD22 LEU A 22 0.191 15.380 1.898 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -1.151 14.700 2.848 1.00 0.00 H new ATOM 336 N GLU A 23 2.695 11.249 4.744 1.00 0.00 N ATOM 337 CA GLU A 23 3.455 10.021 4.575 1.00 0.00 C ATOM 338 C GLU A 23 2.897 8.932 5.489 1.00 0.00 C ATOM 339 O GLU A 23 2.955 7.744 5.170 1.00 0.00 O ATOM 340 CB GLU A 23 4.935 10.259 4.884 1.00 0.00 C ATOM 341 CG GLU A 23 5.676 10.993 3.778 1.00 0.00 C ATOM 342 CD GLU A 23 6.697 11.978 4.312 1.00 0.00 C ATOM 343 OE1 GLU A 23 6.326 12.818 5.158 1.00 0.00 O ATOM 344 OE2 GLU A 23 7.869 11.909 3.883 1.00 0.00 O ATOM 0 H GLU A 23 3.249 12.056 5.032 1.00 0.00 H new ATOM 0 HA GLU A 23 3.366 9.696 3.538 1.00 0.00 H new ATOM 0 HB2 GLU A 23 5.017 10.832 5.808 1.00 0.00 H new ATOM 0 HB3 GLU A 23 5.420 9.299 5.060 1.00 0.00 H new ATOM 0 HG2 GLU A 23 6.178 10.267 3.138 1.00 0.00 H new ATOM 0 HG3 GLU A 23 4.957 11.524 3.154 1.00 0.00 H new ATOM 351 N GLU A 24 2.368 9.357 6.634 1.00 0.00 N ATOM 352 CA GLU A 24 1.806 8.437 7.615 1.00 0.00 C ATOM 353 C GLU A 24 0.574 7.701 7.085 1.00 0.00 C ATOM 354 O GLU A 24 0.458 6.485 7.243 1.00 0.00 O ATOM 355 CB GLU A 24 1.435 9.184 8.892 1.00 0.00 C ATOM 356 CG GLU A 24 0.938 8.265 9.999 1.00 0.00 C ATOM 357 CD GLU A 24 2.068 7.562 10.725 1.00 0.00 C ATOM 358 OE1 GLU A 24 2.887 6.902 10.050 1.00 0.00 O ATOM 359 OE2 GLU A 24 2.135 7.671 11.967 1.00 0.00 O ATOM 0 H GLU A 24 2.318 10.339 6.905 1.00 0.00 H new ATOM 0 HA GLU A 24 2.575 7.694 7.826 1.00 0.00 H new ATOM 0 HB2 GLU A 24 2.305 9.735 9.249 1.00 0.00 H new ATOM 0 HB3 GLU A 24 0.663 9.919 8.664 1.00 0.00 H new ATOM 0 HG2 GLU A 24 0.357 8.846 10.715 1.00 0.00 H new ATOM 0 HG3 GLU A 24 0.266 7.520 9.573 1.00 0.00 H new ATOM 366 N VAL A 25 -0.359 8.438 6.479 1.00 0.00 N ATOM 367 CA VAL A 25 -1.589 7.832 5.966 1.00 0.00 C ATOM 368 C VAL A 25 -1.319 6.883 4.801 1.00 0.00 C ATOM 369 O VAL A 25 -1.946 5.830 4.692 1.00 0.00 O ATOM 370 CB VAL A 25 -2.622 8.899 5.537 1.00 0.00 C ATOM 371 CG1 VAL A 25 -2.187 9.619 4.268 1.00 0.00 C ATOM 372 CG2 VAL A 25 -3.991 8.264 5.350 1.00 0.00 C ATOM 0 H VAL A 25 -0.288 9.445 6.332 1.00 0.00 H new ATOM 0 HA VAL A 25 -2.006 7.255 6.791 1.00 0.00 H new ATOM 0 HB VAL A 25 -2.685 9.642 6.332 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -2.937 10.362 3.996 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -1.231 10.114 4.440 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -2.081 8.897 3.458 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -4.708 9.027 5.048 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -3.933 7.495 4.579 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -4.314 7.814 6.288 1.00 0.00 H new ATOM 382 N PHE A 26 -0.389 7.258 3.932 1.00 0.00 N ATOM 383 CA PHE A 26 -0.051 6.431 2.780 1.00 0.00 C ATOM 384 C PHE A 26 0.583 5.118 3.223 1.00 0.00 C ATOM 385 O PHE A 26 0.247 4.049 2.714 1.00 0.00 O ATOM 386 CB PHE A 26 0.894 7.187 1.851 1.00 0.00 C ATOM 387 CG PHE A 26 0.191 8.176 0.970 1.00 0.00 C ATOM 388 CD1 PHE A 26 -0.377 9.321 1.505 1.00 0.00 C ATOM 389 CD2 PHE A 26 0.098 7.962 -0.393 1.00 0.00 C ATOM 390 CE1 PHE A 26 -1.026 10.233 0.697 1.00 0.00 C ATOM 391 CE2 PHE A 26 -0.550 8.870 -1.206 1.00 0.00 C ATOM 392 CZ PHE A 26 -1.112 10.008 -0.662 1.00 0.00 C ATOM 0 H PHE A 26 0.143 8.126 4.002 1.00 0.00 H new ATOM 0 HA PHE A 26 -0.970 6.201 2.240 1.00 0.00 H new ATOM 0 HB2 PHE A 26 1.640 7.710 2.449 1.00 0.00 H new ATOM 0 HB3 PHE A 26 1.430 6.471 1.227 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -0.311 9.502 2.568 1.00 0.00 H new ATOM 0 HD2 PHE A 26 0.537 7.075 -0.826 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -1.466 11.121 1.127 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -0.618 8.690 -2.269 1.00 0.00 H new ATOM 0 HZ PHE A 26 -1.617 10.720 -1.298 1.00 0.00 H new ATOM 402 N GLU A 27 1.494 5.209 4.185 1.00 0.00 N ATOM 403 CA GLU A 27 2.174 4.032 4.717 1.00 0.00 C ATOM 404 C GLU A 27 1.157 3.009 5.208 1.00 0.00 C ATOM 405 O GLU A 27 1.328 1.805 5.020 1.00 0.00 O ATOM 406 CB GLU A 27 3.104 4.452 5.855 1.00 0.00 C ATOM 407 CG GLU A 27 4.362 3.610 5.955 1.00 0.00 C ATOM 408 CD GLU A 27 4.419 2.808 7.241 1.00 0.00 C ATOM 409 OE1 GLU A 27 3.578 1.900 7.412 1.00 0.00 O ATOM 410 OE2 GLU A 27 5.307 3.085 8.075 1.00 0.00 O ATOM 0 H GLU A 27 1.780 6.089 4.614 1.00 0.00 H new ATOM 0 HA GLU A 27 2.765 3.570 3.926 1.00 0.00 H new ATOM 0 HB2 GLU A 27 3.386 5.496 5.716 1.00 0.00 H new ATOM 0 HB3 GLU A 27 2.561 4.391 6.798 1.00 0.00 H new ATOM 0 HG2 GLU A 27 4.410 2.931 5.104 1.00 0.00 H new ATOM 0 HG3 GLU A 27 5.236 4.259 5.895 1.00 0.00 H new ATOM 417 N ASN A 28 0.088 3.502 5.822 1.00 0.00 N ATOM 418 CA ASN A 28 -0.976 2.642 6.325 1.00 0.00 C ATOM 419 C ASN A 28 -1.758 2.035 5.162 1.00 0.00 C ATOM 420 O ASN A 28 -2.333 0.953 5.281 1.00 0.00 O ATOM 421 CB ASN A 28 -1.917 3.432 7.235 1.00 0.00 C ATOM 422 CG ASN A 28 -1.476 3.403 8.686 1.00 0.00 C ATOM 423 OD1 ASN A 28 -0.936 2.404 9.163 1.00 0.00 O ATOM 424 ND2 ASN A 28 -1.704 4.501 9.397 1.00 0.00 N ATOM 0 H ASN A 28 -0.065 4.497 5.984 1.00 0.00 H new ATOM 0 HA ASN A 28 -0.525 1.837 6.905 1.00 0.00 H new ATOM 0 HB2 ASN A 28 -1.966 4.466 6.893 1.00 0.00 H new ATOM 0 HB3 ASN A 28 -2.924 3.022 7.156 1.00 0.00 H new ATOM 0 HD21 ASN A 28 -1.429 4.539 10.378 1.00 0.00 H new ATOM 0 HD22 ASN A 28 -2.154 5.306 8.962 1.00 0.00 H new ATOM 431 N ALA A 29 -1.764 2.745 4.036 1.00 0.00 N ATOM 432 CA ALA A 29 -2.456 2.300 2.839 1.00 0.00 C ATOM 433 C ALA A 29 -1.831 1.021 2.305 1.00 0.00 C ATOM 434 O ALA A 29 -2.528 0.144 1.797 1.00 0.00 O ATOM 435 CB ALA A 29 -2.423 3.422 1.815 1.00 0.00 C ATOM 0 H ALA A 29 -1.289 3.642 3.932 1.00 0.00 H new ATOM 0 HA ALA A 29 -3.496 2.067 3.069 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -2.939 3.103 0.909 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -2.918 4.303 2.224 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -1.388 3.666 1.576 1.00 0.00 H new ATOM 441 N ALA A 30 -0.516 0.905 2.440 1.00 0.00 N ATOM 442 CA ALA A 30 0.190 -0.284 1.983 1.00 0.00 C ATOM 443 C ALA A 30 -0.079 -1.463 2.912 1.00 0.00 C ATOM 444 O ALA A 30 0.064 -2.621 2.521 1.00 0.00 O ATOM 445 CB ALA A 30 1.683 -0.008 1.889 1.00 0.00 C ATOM 0 H ALA A 30 0.081 1.617 2.861 1.00 0.00 H new ATOM 0 HA ALA A 30 -0.179 -0.543 0.991 1.00 0.00 H new ATOM 0 HB1 ALA A 30 2.198 -0.905 1.546 1.00 0.00 H new ATOM 0 HB2 ALA A 30 1.859 0.804 1.183 1.00 0.00 H new ATOM 0 HB3 ALA A 30 2.063 0.276 2.870 1.00 0.00 H new ATOM 451 N LEU A 31 -0.465 -1.156 4.147 1.00 0.00 N ATOM 452 CA LEU A 31 -0.750 -2.185 5.142 1.00 0.00 C ATOM 453 C LEU A 31 -2.079 -2.889 4.860 1.00 0.00 C ATOM 454 O LEU A 31 -2.233 -4.074 5.154 1.00 0.00 O ATOM 455 CB LEU A 31 -0.780 -1.564 6.541 1.00 0.00 C ATOM 456 CG LEU A 31 -0.484 -2.531 7.690 1.00 0.00 C ATOM 457 CD1 LEU A 31 -1.578 -3.581 7.800 1.00 0.00 C ATOM 458 CD2 LEU A 31 0.874 -3.189 7.497 1.00 0.00 C ATOM 0 H LEU A 31 -0.588 -0.201 4.483 1.00 0.00 H new ATOM 0 HA LEU A 31 0.044 -2.930 5.087 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -0.055 -0.751 6.576 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -1.763 -1.122 6.704 1.00 0.00 H new ATOM 0 HG LEU A 31 -0.461 -1.963 8.620 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -1.350 -4.259 8.622 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -2.534 -3.092 7.987 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -1.635 -4.146 6.869 1.00 0.00 H new ATOM 0 HD21 LEU A 31 1.068 -3.873 8.323 1.00 0.00 H new ATOM 0 HD22 LEU A 31 0.880 -3.743 6.558 1.00 0.00 H new ATOM 0 HD23 LEU A 31 1.649 -2.423 7.471 1.00 0.00 H new ATOM 470 N ALA A 32 -3.039 -2.155 4.300 1.00 0.00 N ATOM 471 CA ALA A 32 -4.355 -2.718 3.995 1.00 0.00 C ATOM 472 C ALA A 32 -4.250 -3.979 3.140 1.00 0.00 C ATOM 473 O ALA A 32 -4.823 -5.015 3.475 1.00 0.00 O ATOM 474 CB ALA A 32 -5.230 -1.682 3.301 1.00 0.00 C ATOM 0 H ALA A 32 -2.932 -1.172 4.049 1.00 0.00 H new ATOM 0 HA ALA A 32 -4.817 -2.998 4.942 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -6.205 -2.117 3.081 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -5.357 -0.818 3.953 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -4.755 -1.369 2.371 1.00 0.00 H new ATOM 480 N MET A 33 -3.528 -3.880 2.030 1.00 0.00 N ATOM 481 CA MET A 33 -3.365 -5.011 1.120 1.00 0.00 C ATOM 482 C MET A 33 -2.455 -6.085 1.712 1.00 0.00 C ATOM 483 O MET A 33 -2.680 -7.278 1.510 1.00 0.00 O ATOM 484 CB MET A 33 -2.799 -4.533 -0.217 1.00 0.00 C ATOM 485 CG MET A 33 -3.382 -5.257 -1.420 1.00 0.00 C ATOM 486 SD MET A 33 -2.297 -6.554 -2.046 1.00 0.00 S ATOM 487 CE MET A 33 -3.409 -7.425 -3.146 1.00 0.00 C ATOM 0 H MET A 33 -3.046 -3.030 1.737 1.00 0.00 H new ATOM 0 HA MET A 33 -4.349 -5.453 0.963 1.00 0.00 H new ATOM 0 HB2 MET A 33 -2.988 -3.464 -0.320 1.00 0.00 H new ATOM 0 HB3 MET A 33 -1.717 -4.667 -0.212 1.00 0.00 H new ATOM 0 HG2 MET A 33 -4.342 -5.694 -1.146 1.00 0.00 H new ATOM 0 HG3 MET A 33 -3.575 -4.536 -2.214 1.00 0.00 H new ATOM 0 HE1 MET A 33 -3.206 -8.495 -3.097 1.00 0.00 H new ATOM 0 HE2 MET A 33 -4.440 -7.237 -2.845 1.00 0.00 H new ATOM 0 HE3 MET A 33 -3.260 -7.074 -4.167 1.00 0.00 H new ATOM 497 N PHE A 34 -1.421 -5.658 2.428 1.00 0.00 N ATOM 498 CA PHE A 34 -0.474 -6.591 3.031 1.00 0.00 C ATOM 499 C PHE A 34 -1.085 -7.336 4.213 1.00 0.00 C ATOM 500 O PHE A 34 -0.842 -8.531 4.390 1.00 0.00 O ATOM 501 CB PHE A 34 0.790 -5.852 3.470 1.00 0.00 C ATOM 502 CG PHE A 34 1.939 -6.015 2.516 1.00 0.00 C ATOM 503 CD1 PHE A 34 2.836 -7.061 2.664 1.00 0.00 C ATOM 504 CD2 PHE A 34 2.121 -5.124 1.471 1.00 0.00 C ATOM 505 CE1 PHE A 34 3.893 -7.215 1.788 1.00 0.00 C ATOM 506 CE2 PHE A 34 3.176 -5.272 0.592 1.00 0.00 C ATOM 507 CZ PHE A 34 4.064 -6.319 0.749 1.00 0.00 C ATOM 0 H PHE A 34 -1.217 -4.675 2.605 1.00 0.00 H new ATOM 0 HA PHE A 34 -0.214 -7.331 2.274 1.00 0.00 H new ATOM 0 HB2 PHE A 34 0.563 -4.791 3.576 1.00 0.00 H new ATOM 0 HB3 PHE A 34 1.090 -6.214 4.454 1.00 0.00 H new ATOM 0 HD1 PHE A 34 2.707 -7.764 3.474 1.00 0.00 H new ATOM 0 HD2 PHE A 34 1.430 -4.304 1.342 1.00 0.00 H new ATOM 0 HE1 PHE A 34 4.585 -8.034 1.915 1.00 0.00 H new ATOM 0 HE2 PHE A 34 3.307 -4.570 -0.218 1.00 0.00 H new ATOM 0 HZ PHE A 34 4.889 -6.437 0.062 1.00 0.00 H new ATOM 517 N GLU A 35 -1.876 -6.638 5.025 1.00 0.00 N ATOM 518 CA GLU A 35 -2.505 -7.265 6.186 1.00 0.00 C ATOM 519 C GLU A 35 -3.270 -8.513 5.768 1.00 0.00 C ATOM 520 O GLU A 35 -3.347 -9.489 6.514 1.00 0.00 O ATOM 521 CB GLU A 35 -3.446 -6.289 6.892 1.00 0.00 C ATOM 522 CG GLU A 35 -3.624 -6.592 8.371 1.00 0.00 C ATOM 523 CD GLU A 35 -2.427 -6.172 9.200 1.00 0.00 C ATOM 524 OE1 GLU A 35 -1.285 -6.426 8.764 1.00 0.00 O ATOM 525 OE2 GLU A 35 -2.631 -5.588 10.284 1.00 0.00 O ATOM 0 H GLU A 35 -2.095 -5.649 4.903 1.00 0.00 H new ATOM 0 HA GLU A 35 -1.716 -7.549 6.882 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -3.060 -5.276 6.779 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -4.420 -6.315 6.403 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -4.513 -6.080 8.738 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -3.795 -7.661 8.501 1.00 0.00 H new ATOM 532 N VAL A 36 -3.824 -8.478 4.561 1.00 0.00 N ATOM 533 CA VAL A 36 -4.569 -9.609 4.031 1.00 0.00 C ATOM 534 C VAL A 36 -3.618 -10.737 3.648 1.00 0.00 C ATOM 535 O VAL A 36 -3.968 -11.914 3.722 1.00 0.00 O ATOM 536 CB VAL A 36 -5.395 -9.206 2.798 1.00 0.00 C ATOM 537 CG1 VAL A 36 -6.310 -10.343 2.371 1.00 0.00 C ATOM 538 CG2 VAL A 36 -6.198 -7.944 3.082 1.00 0.00 C ATOM 0 H VAL A 36 -3.770 -7.677 3.932 1.00 0.00 H new ATOM 0 HA VAL A 36 -5.249 -9.949 4.812 1.00 0.00 H new ATOM 0 HB VAL A 36 -4.709 -8.996 1.978 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -6.886 -10.038 1.497 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -5.711 -11.219 2.123 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -6.990 -10.588 3.186 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -6.776 -7.674 2.198 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -6.875 -8.124 3.917 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -5.519 -7.130 3.334 1.00 0.00 H new ATOM 548 N MET A 37 -2.407 -10.362 3.246 1.00 0.00 N ATOM 549 CA MET A 37 -1.392 -11.331 2.857 1.00 0.00 C ATOM 550 C MET A 37 -0.802 -12.010 4.087 1.00 0.00 C ATOM 551 O MET A 37 -0.436 -13.184 4.048 1.00 0.00 O ATOM 552 CB MET A 37 -0.282 -10.645 2.062 1.00 0.00 C ATOM 553 CG MET A 37 -0.395 -10.845 0.560 1.00 0.00 C ATOM 554 SD MET A 37 0.316 -12.410 0.013 1.00 0.00 S ATOM 555 CE MET A 37 2.018 -12.209 0.531 1.00 0.00 C ATOM 0 H MET A 37 -2.106 -9.390 3.182 1.00 0.00 H new ATOM 0 HA MET A 37 -1.863 -12.088 2.230 1.00 0.00 H new ATOM 0 HB2 MET A 37 -0.298 -9.577 2.280 1.00 0.00 H new ATOM 0 HB3 MET A 37 0.682 -11.025 2.399 1.00 0.00 H new ATOM 0 HG2 MET A 37 -1.445 -10.806 0.270 1.00 0.00 H new ATOM 0 HG3 MET A 37 0.107 -10.024 0.049 1.00 0.00 H new ATOM 0 HE1 MET A 37 2.681 -12.610 -0.235 1.00 0.00 H new ATOM 0 HE2 MET A 37 2.231 -11.150 0.678 1.00 0.00 H new ATOM 0 HE3 MET A 37 2.179 -12.744 1.467 1.00 0.00 H new ATOM 565 N THR A 38 -0.717 -11.254 5.179 1.00 0.00 N ATOM 566 CA THR A 38 -0.176 -11.762 6.436 1.00 0.00 C ATOM 567 C THR A 38 1.155 -12.482 6.226 1.00 0.00 C ATOM 568 O THR A 38 1.695 -12.496 5.120 1.00 0.00 O ATOM 569 CB THR A 38 -1.191 -12.694 7.107 1.00 0.00 C ATOM 570 OG1 THR A 38 -0.870 -12.885 8.474 1.00 0.00 O ATOM 571 CG2 THR A 38 -1.292 -14.064 6.466 1.00 0.00 C ATOM 0 H THR A 38 -1.018 -10.280 5.218 1.00 0.00 H new ATOM 0 HA THR A 38 0.012 -10.910 7.089 1.00 0.00 H new ATOM 0 HB THR A 38 -2.151 -12.192 6.986 1.00 0.00 H new ATOM 0 HG1 THR A 38 -1.530 -13.481 8.885 1.00 0.00 H new ATOM 0 HG21 THR A 38 -2.031 -14.662 6.999 1.00 0.00 H new ATOM 0 HG22 THR A 38 -1.595 -13.957 5.424 1.00 0.00 H new ATOM 0 HG23 THR A 38 -0.322 -14.560 6.512 1.00 0.00 H new ATOM 579 N ASP A 39 1.672 -13.079 7.301 1.00 0.00 N ATOM 580 CA ASP A 39 2.940 -13.812 7.262 1.00 0.00 C ATOM 581 C ASP A 39 4.145 -12.876 7.372 1.00 0.00 C ATOM 582 O ASP A 39 5.262 -13.328 7.630 1.00 0.00 O ATOM 583 CB ASP A 39 3.049 -14.648 5.983 1.00 0.00 C ATOM 584 CG ASP A 39 4.106 -15.730 6.086 1.00 0.00 C ATOM 585 OD1 ASP A 39 4.505 -16.063 7.222 1.00 0.00 O ATOM 586 OD2 ASP A 39 4.535 -16.244 5.032 1.00 0.00 O ATOM 0 H ASP A 39 1.227 -13.069 8.219 1.00 0.00 H new ATOM 0 HA ASP A 39 2.948 -14.477 8.126 1.00 0.00 H new ATOM 0 HB2 ASP A 39 2.084 -15.107 5.769 1.00 0.00 H new ATOM 0 HB3 ASP A 39 3.284 -13.993 5.144 1.00 0.00 H new ATOM 591 N THR A 40 3.927 -11.579 7.175 1.00 0.00 N ATOM 592 CA THR A 40 5.014 -10.607 7.256 1.00 0.00 C ATOM 593 C THR A 40 5.464 -10.403 8.701 1.00 0.00 C ATOM 594 O THR A 40 6.582 -9.956 8.956 1.00 0.00 O ATOM 595 CB THR A 40 4.605 -9.263 6.633 1.00 0.00 C ATOM 596 OG1 THR A 40 4.045 -8.402 7.610 1.00 0.00 O ATOM 597 CG2 THR A 40 3.597 -9.395 5.511 1.00 0.00 C ATOM 0 H THR A 40 3.014 -11.178 6.960 1.00 0.00 H new ATOM 0 HA THR A 40 5.853 -11.008 6.687 1.00 0.00 H new ATOM 0 HB THR A 40 5.527 -8.852 6.223 1.00 0.00 H new ATOM 0 HG1 THR A 40 3.794 -7.552 7.192 1.00 0.00 H new ATOM 0 HG21 THR A 40 3.356 -8.406 5.120 1.00 0.00 H new ATOM 0 HG22 THR A 40 4.018 -10.008 4.714 1.00 0.00 H new ATOM 0 HG23 THR A 40 2.690 -9.866 5.890 1.00 0.00 H new ATOM 605 N SER A 41 4.588 -10.731 9.645 1.00 0.00 N ATOM 606 CA SER A 41 4.896 -10.580 11.063 1.00 0.00 C ATOM 607 C SER A 41 5.966 -11.576 11.522 1.00 0.00 C ATOM 608 O SER A 41 6.384 -11.551 12.679 1.00 0.00 O ATOM 609 CB SER A 41 3.628 -10.764 11.900 1.00 0.00 C ATOM 610 OG SER A 41 3.861 -10.437 13.259 1.00 0.00 O ATOM 0 H SER A 41 3.658 -11.104 9.454 1.00 0.00 H new ATOM 0 HA SER A 41 5.289 -9.574 11.208 1.00 0.00 H new ATOM 0 HB2 SER A 41 2.832 -10.134 11.503 1.00 0.00 H new ATOM 0 HB3 SER A 41 3.286 -11.796 11.825 1.00 0.00 H new ATOM 0 HG SER A 41 4.771 -10.701 13.508 1.00 0.00 H new ATOM 616 N LEU A 42 6.407 -12.451 10.619 1.00 0.00 N ATOM 617 CA LEU A 42 7.425 -13.443 10.955 1.00 0.00 C ATOM 618 C LEU A 42 8.626 -13.351 10.012 1.00 0.00 C ATOM 619 O LEU A 42 9.445 -14.267 9.947 1.00 0.00 O ATOM 620 CB LEU A 42 6.831 -14.852 10.901 1.00 0.00 C ATOM 621 CG LEU A 42 5.824 -15.177 12.008 1.00 0.00 C ATOM 622 CD1 LEU A 42 4.400 -15.044 11.491 1.00 0.00 C ATOM 623 CD2 LEU A 42 6.064 -16.576 12.555 1.00 0.00 C ATOM 0 H LEU A 42 6.077 -12.493 9.655 1.00 0.00 H new ATOM 0 HA LEU A 42 7.770 -13.234 11.968 1.00 0.00 H new ATOM 0 HB2 LEU A 42 6.342 -14.986 9.936 1.00 0.00 H new ATOM 0 HB3 LEU A 42 7.646 -15.575 10.949 1.00 0.00 H new ATOM 0 HG LEU A 42 5.964 -14.462 12.819 1.00 0.00 H new ATOM 0 HD11 LEU A 42 3.699 -15.279 12.292 1.00 0.00 H new ATOM 0 HD12 LEU A 42 4.231 -14.023 11.149 1.00 0.00 H new ATOM 0 HD13 LEU A 42 4.248 -15.735 10.662 1.00 0.00 H new ATOM 0 HD21 LEU A 42 5.339 -16.789 13.341 1.00 0.00 H new ATOM 0 HD22 LEU A 42 5.953 -17.305 11.752 1.00 0.00 H new ATOM 0 HD23 LEU A 42 7.072 -16.638 12.965 1.00 0.00 H new ATOM 635 N VAL A 43 8.722 -12.244 9.284 1.00 0.00 N ATOM 636 CA VAL A 43 9.818 -12.034 8.345 1.00 0.00 C ATOM 637 C VAL A 43 10.638 -10.803 8.725 1.00 0.00 C ATOM 638 O VAL A 43 10.084 -9.755 9.054 1.00 0.00 O ATOM 639 CB VAL A 43 9.290 -11.874 6.909 1.00 0.00 C ATOM 640 CG1 VAL A 43 10.433 -11.678 5.923 1.00 0.00 C ATOM 641 CG2 VAL A 43 8.438 -13.072 6.518 1.00 0.00 C ATOM 0 H VAL A 43 8.052 -11.476 9.326 1.00 0.00 H new ATOM 0 HA VAL A 43 10.459 -12.914 8.392 1.00 0.00 H new ATOM 0 HB VAL A 43 8.665 -10.982 6.875 1.00 0.00 H new ATOM 0 HG11 VAL A 43 10.030 -11.568 4.916 1.00 0.00 H new ATOM 0 HG12 VAL A 43 10.994 -10.782 6.190 1.00 0.00 H new ATOM 0 HG13 VAL A 43 11.095 -12.544 5.956 1.00 0.00 H new ATOM 0 HG21 VAL A 43 8.073 -12.942 5.499 1.00 0.00 H new ATOM 0 HG22 VAL A 43 9.039 -13.980 6.575 1.00 0.00 H new ATOM 0 HG23 VAL A 43 7.591 -13.154 7.199 1.00 0.00 H new ATOM 651 N GLU A 44 11.959 -10.943 8.685 1.00 0.00 N ATOM 652 CA GLU A 44 12.856 -9.847 9.034 1.00 0.00 C ATOM 653 C GLU A 44 12.990 -8.843 7.889 1.00 0.00 C ATOM 654 O GLU A 44 12.350 -7.791 7.894 1.00 0.00 O ATOM 655 CB GLU A 44 14.234 -10.395 9.411 1.00 0.00 C ATOM 656 CG GLU A 44 14.241 -11.178 10.714 1.00 0.00 C ATOM 657 CD GLU A 44 14.867 -12.551 10.566 1.00 0.00 C ATOM 658 OE1 GLU A 44 15.731 -12.718 9.680 1.00 0.00 O ATOM 659 OE2 GLU A 44 14.494 -13.460 11.338 1.00 0.00 O ATOM 0 H GLU A 44 12.432 -11.805 8.414 1.00 0.00 H new ATOM 0 HA GLU A 44 12.426 -9.325 9.889 1.00 0.00 H new ATOM 0 HB2 GLU A 44 14.592 -11.039 8.608 1.00 0.00 H new ATOM 0 HB3 GLU A 44 14.936 -9.565 9.491 1.00 0.00 H new ATOM 0 HG2 GLU A 44 14.787 -10.613 11.470 1.00 0.00 H new ATOM 0 HG3 GLU A 44 13.218 -11.286 11.074 1.00 0.00 H new ATOM 666 N ALA A 45 13.835 -9.170 6.917 1.00 0.00 N ATOM 667 CA ALA A 45 14.073 -8.299 5.766 1.00 0.00 C ATOM 668 C ALA A 45 15.173 -8.872 4.880 1.00 0.00 C ATOM 669 O ALA A 45 16.355 -8.809 5.220 1.00 0.00 O ATOM 670 CB ALA A 45 14.443 -6.897 6.232 1.00 0.00 C ATOM 0 H ALA A 45 14.371 -10.038 6.902 1.00 0.00 H new ATOM 0 HA ALA A 45 13.155 -8.241 5.181 1.00 0.00 H new ATOM 0 HB1 ALA A 45 14.617 -6.260 5.365 1.00 0.00 H new ATOM 0 HB2 ALA A 45 13.628 -6.485 6.828 1.00 0.00 H new ATOM 0 HB3 ALA A 45 15.348 -6.942 6.837 1.00 0.00 H new ATOM 676 N ALA A 46 14.777 -9.441 3.748 1.00 0.00 N ATOM 677 CA ALA A 46 15.726 -10.038 2.819 1.00 0.00 C ATOM 678 C ALA A 46 16.268 -9.015 1.829 1.00 0.00 C ATOM 679 O ALA A 46 17.479 -8.833 1.711 1.00 0.00 O ATOM 680 CB ALA A 46 15.075 -11.198 2.080 1.00 0.00 C ATOM 0 H ALA A 46 13.803 -9.501 3.452 1.00 0.00 H new ATOM 0 HA ALA A 46 16.570 -10.410 3.399 1.00 0.00 H new ATOM 0 HB1 ALA A 46 15.793 -11.637 1.388 1.00 0.00 H new ATOM 0 HB2 ALA A 46 14.755 -11.953 2.798 1.00 0.00 H new ATOM 0 HB3 ALA A 46 14.210 -10.836 1.524 1.00 0.00 H new ATOM 686 N GLU A 47 15.367 -8.362 1.107 1.00 0.00 N ATOM 687 CA GLU A 47 15.759 -7.372 0.113 1.00 0.00 C ATOM 688 C GLU A 47 14.976 -6.090 0.269 1.00 0.00 C ATOM 689 O GLU A 47 13.785 -6.124 0.544 1.00 0.00 O ATOM 690 CB GLU A 47 15.507 -7.906 -1.284 1.00 0.00 C ATOM 691 CG GLU A 47 15.970 -9.332 -1.487 1.00 0.00 C ATOM 692 CD GLU A 47 17.432 -9.425 -1.880 1.00 0.00 C ATOM 693 OE1 GLU A 47 18.297 -9.198 -1.010 1.00 0.00 O ATOM 694 OE2 GLU A 47 17.710 -9.725 -3.060 1.00 0.00 O ATOM 0 H GLU A 47 14.360 -8.500 1.191 1.00 0.00 H new ATOM 0 HA GLU A 47 16.819 -7.169 0.264 1.00 0.00 H new ATOM 0 HB2 GLU A 47 14.440 -7.847 -1.498 1.00 0.00 H new ATOM 0 HB3 GLU A 47 16.013 -7.264 -2.005 1.00 0.00 H new ATOM 0 HG2 GLU A 47 15.809 -9.896 -0.568 1.00 0.00 H new ATOM 0 HG3 GLU A 47 15.360 -9.801 -2.259 1.00 0.00 H new ATOM 701 N GLU A 48 15.639 -4.960 0.060 1.00 0.00 N ATOM 702 CA GLU A 48 14.970 -3.675 0.160 1.00 0.00 C ATOM 703 C GLU A 48 15.049 -2.909 -1.155 1.00 0.00 C ATOM 704 O GLU A 48 16.136 -2.637 -1.665 1.00 0.00 O ATOM 705 CB GLU A 48 15.573 -2.838 1.289 1.00 0.00 C ATOM 706 CG GLU A 48 14.701 -1.666 1.709 1.00 0.00 C ATOM 707 CD GLU A 48 15.390 -0.756 2.707 1.00 0.00 C ATOM 708 OE1 GLU A 48 16.508 -0.286 2.410 1.00 0.00 O ATOM 709 OE2 GLU A 48 14.811 -0.514 3.787 1.00 0.00 O ATOM 0 H GLU A 48 16.630 -4.909 -0.177 1.00 0.00 H new ATOM 0 HA GLU A 48 13.921 -3.866 0.384 1.00 0.00 H new ATOM 0 HB2 GLU A 48 15.746 -3.479 2.153 1.00 0.00 H new ATOM 0 HB3 GLU A 48 16.545 -2.461 0.972 1.00 0.00 H new ATOM 0 HG2 GLU A 48 14.425 -1.089 0.827 1.00 0.00 H new ATOM 0 HG3 GLU A 48 13.776 -2.044 2.145 1.00 0.00 H new ATOM 716 N ARG A 49 13.886 -2.560 -1.693 1.00 0.00 N ATOM 717 CA ARG A 49 13.813 -1.818 -2.945 1.00 0.00 C ATOM 718 C ARG A 49 13.050 -0.512 -2.748 1.00 0.00 C ATOM 719 O ARG A 49 12.098 -0.452 -1.970 1.00 0.00 O ATOM 720 CB ARG A 49 13.133 -2.662 -4.026 1.00 0.00 C ATOM 721 CG ARG A 49 13.692 -4.071 -4.137 1.00 0.00 C ATOM 722 CD ARG A 49 15.096 -4.069 -4.720 1.00 0.00 C ATOM 723 NE ARG A 49 15.670 -5.412 -4.771 1.00 0.00 N ATOM 724 CZ ARG A 49 16.710 -5.744 -5.532 1.00 0.00 C ATOM 725 NH1 ARG A 49 17.294 -4.837 -6.306 1.00 0.00 N ATOM 726 NH2 ARG A 49 17.169 -6.989 -5.520 1.00 0.00 N ATOM 0 H ARG A 49 12.979 -2.780 -1.280 1.00 0.00 H new ATOM 0 HA ARG A 49 14.829 -1.586 -3.265 1.00 0.00 H new ATOM 0 HB2 ARG A 49 12.066 -2.719 -3.813 1.00 0.00 H new ATOM 0 HB3 ARG A 49 13.240 -2.161 -4.988 1.00 0.00 H new ATOM 0 HG2 ARG A 49 13.707 -4.536 -3.151 1.00 0.00 H new ATOM 0 HG3 ARG A 49 13.037 -4.675 -4.765 1.00 0.00 H new ATOM 0 HD2 ARG A 49 15.071 -3.647 -5.725 1.00 0.00 H new ATOM 0 HD3 ARG A 49 15.737 -3.423 -4.119 1.00 0.00 H new ATOM 0 HE ARG A 49 15.249 -6.137 -4.190 1.00 0.00 H new ATOM 0 HH11 ARG A 49 16.946 -3.878 -6.320 1.00 0.00 H new ATOM 0 HH12 ARG A 49 18.091 -5.099 -6.887 1.00 0.00 H new ATOM 0 HH21 ARG A 49 16.725 -7.691 -4.928 1.00 0.00 H new ATOM 0 HH22 ARG A 49 17.966 -7.244 -6.103 1.00 0.00 H new ATOM 740 N ARG A 50 13.475 0.530 -3.451 1.00 0.00 N ATOM 741 CA ARG A 50 12.829 1.832 -3.342 1.00 0.00 C ATOM 742 C ARG A 50 11.921 2.092 -4.539 1.00 0.00 C ATOM 743 O ARG A 50 12.246 1.735 -5.672 1.00 0.00 O ATOM 744 CB ARG A 50 13.879 2.940 -3.228 1.00 0.00 C ATOM 745 CG ARG A 50 14.008 3.508 -1.823 1.00 0.00 C ATOM 746 CD ARG A 50 14.655 4.885 -1.828 1.00 0.00 C ATOM 747 NE ARG A 50 15.886 4.914 -1.038 1.00 0.00 N ATOM 748 CZ ARG A 50 17.109 4.998 -1.558 1.00 0.00 C ATOM 749 NH1 ARG A 50 17.285 5.060 -2.873 1.00 0.00 N ATOM 750 NH2 ARG A 50 18.166 5.019 -0.756 1.00 0.00 N ATOM 0 H ARG A 50 14.261 0.500 -4.100 1.00 0.00 H new ATOM 0 HA ARG A 50 12.216 1.831 -2.440 1.00 0.00 H new ATOM 0 HB2 ARG A 50 14.846 2.548 -3.544 1.00 0.00 H new ATOM 0 HB3 ARG A 50 13.622 3.746 -3.915 1.00 0.00 H new ATOM 0 HG2 ARG A 50 13.021 3.572 -1.365 1.00 0.00 H new ATOM 0 HG3 ARG A 50 14.601 2.830 -1.210 1.00 0.00 H new ATOM 0 HD2 ARG A 50 14.876 5.178 -2.854 1.00 0.00 H new ATOM 0 HD3 ARG A 50 13.952 5.618 -1.431 1.00 0.00 H new ATOM 0 HE ARG A 50 15.802 4.867 -0.023 1.00 0.00 H new ATOM 0 HH11 ARG A 50 16.478 5.044 -3.497 1.00 0.00 H new ATOM 0 HH12 ARG A 50 18.227 5.124 -3.259 1.00 0.00 H new ATOM 0 HH21 ARG A 50 18.040 4.971 0.255 1.00 0.00 H new ATOM 0 HH22 ARG A 50 19.104 5.083 -1.151 1.00 0.00 H new ATOM 764 N VAL A 51 10.780 2.722 -4.277 1.00 0.00 N ATOM 765 CA VAL A 51 9.820 3.041 -5.323 1.00 0.00 C ATOM 766 C VAL A 51 9.607 4.546 -5.413 1.00 0.00 C ATOM 767 O VAL A 51 9.659 5.251 -4.405 1.00 0.00 O ATOM 768 CB VAL A 51 8.464 2.353 -5.073 1.00 0.00 C ATOM 769 CG1 VAL A 51 7.544 2.535 -6.269 1.00 0.00 C ATOM 770 CG2 VAL A 51 8.664 0.877 -4.763 1.00 0.00 C ATOM 0 H VAL A 51 10.499 3.022 -3.344 1.00 0.00 H new ATOM 0 HA VAL A 51 10.232 2.672 -6.262 1.00 0.00 H new ATOM 0 HB VAL A 51 7.993 2.821 -4.209 1.00 0.00 H new ATOM 0 HG11 VAL A 51 6.592 2.042 -6.074 1.00 0.00 H new ATOM 0 HG12 VAL A 51 7.374 3.598 -6.439 1.00 0.00 H new ATOM 0 HG13 VAL A 51 8.005 2.095 -7.153 1.00 0.00 H new ATOM 0 HG21 VAL A 51 7.696 0.407 -4.589 1.00 0.00 H new ATOM 0 HG22 VAL A 51 9.157 0.392 -5.606 1.00 0.00 H new ATOM 0 HG23 VAL A 51 9.283 0.773 -3.872 1.00 0.00 H new ATOM 780 N GLU A 52 9.359 5.037 -6.622 1.00 0.00 N ATOM 781 CA GLU A 52 9.132 6.454 -6.836 1.00 0.00 C ATOM 782 C GLU A 52 7.826 6.657 -7.571 1.00 0.00 C ATOM 783 O GLU A 52 7.450 5.850 -8.421 1.00 0.00 O ATOM 784 CB GLU A 52 10.292 7.078 -7.613 1.00 0.00 C ATOM 785 CG GLU A 52 11.192 7.955 -6.757 1.00 0.00 C ATOM 786 CD GLU A 52 12.382 7.199 -6.199 1.00 0.00 C ATOM 787 OE1 GLU A 52 12.228 6.000 -5.882 1.00 0.00 O ATOM 788 OE2 GLU A 52 13.466 7.806 -6.077 1.00 0.00 O ATOM 0 H GLU A 52 9.311 4.470 -7.468 1.00 0.00 H new ATOM 0 HA GLU A 52 9.073 6.951 -5.868 1.00 0.00 H new ATOM 0 HB2 GLU A 52 10.890 6.283 -8.059 1.00 0.00 H new ATOM 0 HB3 GLU A 52 9.891 7.673 -8.433 1.00 0.00 H new ATOM 0 HG2 GLU A 52 11.547 8.796 -7.353 1.00 0.00 H new ATOM 0 HG3 GLU A 52 10.611 8.371 -5.933 1.00 0.00 H new ATOM 795 N ILE A 53 7.124 7.719 -7.229 1.00 0.00 N ATOM 796 CA ILE A 53 5.848 7.992 -7.850 1.00 0.00 C ATOM 797 C ILE A 53 5.660 9.473 -8.139 1.00 0.00 C ATOM 798 O ILE A 53 6.116 10.328 -7.381 1.00 0.00 O ATOM 799 CB ILE A 53 4.689 7.494 -6.971 1.00 0.00 C ATOM 800 CG1 ILE A 53 5.156 6.408 -5.996 1.00 0.00 C ATOM 801 CG2 ILE A 53 3.596 6.956 -7.852 1.00 0.00 C ATOM 802 CD1 ILE A 53 4.052 5.878 -5.106 1.00 0.00 C ATOM 0 H ILE A 53 7.415 8.402 -6.529 1.00 0.00 H new ATOM 0 HA ILE A 53 5.842 7.453 -8.798 1.00 0.00 H new ATOM 0 HB ILE A 53 4.315 8.332 -6.383 1.00 0.00 H new ATOM 0 HG12 ILE A 53 5.583 5.581 -6.563 1.00 0.00 H new ATOM 0 HG13 ILE A 53 5.953 6.811 -5.371 1.00 0.00 H new ATOM 0 HG21 ILE A 53 2.772 6.601 -7.233 1.00 0.00 H new ATOM 0 HG22 ILE A 53 3.240 7.746 -8.513 1.00 0.00 H new ATOM 0 HG23 ILE A 53 3.983 6.130 -8.449 1.00 0.00 H new ATOM 0 HD11 ILE A 53 4.455 5.113 -4.442 1.00 0.00 H new ATOM 0 HD12 ILE A 53 3.641 6.694 -4.512 1.00 0.00 H new ATOM 0 HD13 ILE A 53 3.264 5.445 -5.722 1.00 0.00 H new ATOM 814 N THR A 54 4.968 9.771 -9.234 1.00 0.00 N ATOM 815 CA THR A 54 4.707 11.152 -9.608 1.00 0.00 C ATOM 816 C THR A 54 3.206 11.416 -9.676 1.00 0.00 C ATOM 817 O THR A 54 2.501 10.877 -10.528 1.00 0.00 O ATOM 818 CB THR A 54 5.355 11.471 -10.956 1.00 0.00 C ATOM 819 OG1 THR A 54 6.512 10.678 -11.157 1.00 0.00 O ATOM 820 CG2 THR A 54 5.763 12.921 -11.095 1.00 0.00 C ATOM 0 H THR A 54 4.581 9.077 -9.873 1.00 0.00 H new ATOM 0 HA THR A 54 5.141 11.799 -8.846 1.00 0.00 H new ATOM 0 HB THR A 54 4.592 11.252 -11.702 1.00 0.00 H new ATOM 0 HG1 THR A 54 6.911 10.896 -12.025 1.00 0.00 H new ATOM 0 HG21 THR A 54 6.216 13.079 -12.074 1.00 0.00 H new ATOM 0 HG22 THR A 54 4.884 13.558 -10.995 1.00 0.00 H new ATOM 0 HG23 THR A 54 6.484 13.172 -10.317 1.00 0.00 H new ATOM 828 N SER A 55 2.740 12.264 -8.772 1.00 0.00 N ATOM 829 CA SER A 55 1.336 12.641 -8.701 1.00 0.00 C ATOM 830 C SER A 55 1.198 14.148 -8.868 1.00 0.00 C ATOM 831 O SER A 55 2.178 14.878 -8.745 1.00 0.00 O ATOM 832 CB SER A 55 0.729 12.197 -7.370 1.00 0.00 C ATOM 833 OG SER A 55 -0.623 12.610 -7.262 1.00 0.00 O ATOM 0 H SER A 55 3.325 12.711 -8.066 1.00 0.00 H new ATOM 0 HA SER A 55 0.797 12.143 -9.507 1.00 0.00 H new ATOM 0 HB2 SER A 55 0.789 11.112 -7.283 1.00 0.00 H new ATOM 0 HB3 SER A 55 1.307 12.615 -6.546 1.00 0.00 H new ATOM 0 HG SER A 55 -0.675 13.416 -6.708 1.00 0.00 H new ATOM 839 N GLU A 56 -0.012 14.616 -9.147 1.00 0.00 N ATOM 840 CA GLU A 56 -0.243 16.045 -9.319 1.00 0.00 C ATOM 841 C GLU A 56 -1.674 16.414 -8.960 1.00 0.00 C ATOM 842 O GLU A 56 -2.389 17.024 -9.757 1.00 0.00 O ATOM 843 CB GLU A 56 0.068 16.461 -10.754 1.00 0.00 C ATOM 844 CG GLU A 56 1.425 15.980 -11.224 1.00 0.00 C ATOM 845 CD GLU A 56 1.842 16.601 -12.544 1.00 0.00 C ATOM 846 OE1 GLU A 56 2.049 17.832 -12.581 1.00 0.00 O ATOM 847 OE2 GLU A 56 1.963 15.856 -13.539 1.00 0.00 O ATOM 0 H GLU A 56 -0.842 14.033 -9.258 1.00 0.00 H new ATOM 0 HA GLU A 56 0.424 16.581 -8.643 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -0.702 16.066 -11.417 1.00 0.00 H new ATOM 0 HB3 GLU A 56 0.027 17.548 -10.829 1.00 0.00 H new ATOM 0 HG2 GLU A 56 2.172 16.214 -10.465 1.00 0.00 H new ATOM 0 HG3 GLU A 56 1.405 14.895 -11.328 1.00 0.00 H new ATOM 854 N ASP A 57 -2.090 16.038 -7.755 1.00 0.00 N ATOM 855 CA ASP A 57 -3.443 16.331 -7.299 1.00 0.00 C ATOM 856 C ASP A 57 -3.699 15.832 -5.872 1.00 0.00 C ATOM 857 O ASP A 57 -4.841 15.828 -5.416 1.00 0.00 O ATOM 858 CB ASP A 57 -4.453 15.699 -8.258 1.00 0.00 C ATOM 859 CG ASP A 57 -5.676 16.569 -8.467 1.00 0.00 C ATOM 860 OD1 ASP A 57 -5.549 17.808 -8.370 1.00 0.00 O ATOM 861 OD2 ASP A 57 -6.763 16.011 -8.728 1.00 0.00 O ATOM 0 H ASP A 57 -1.514 15.533 -7.081 1.00 0.00 H new ATOM 0 HA ASP A 57 -3.559 17.415 -7.288 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -3.972 15.517 -9.219 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -4.763 14.730 -7.868 1.00 0.00 H new ATOM 866 N ARG A 58 -2.641 15.418 -5.169 1.00 0.00 N ATOM 867 CA ARG A 58 -2.777 14.925 -3.798 1.00 0.00 C ATOM 868 C ARG A 58 -3.616 13.651 -3.759 1.00 0.00 C ATOM 869 O ARG A 58 -3.097 12.564 -3.504 1.00 0.00 O ATOM 870 CB ARG A 58 -3.410 15.995 -2.906 1.00 0.00 C ATOM 871 CG ARG A 58 -2.831 16.035 -1.502 1.00 0.00 C ATOM 872 CD ARG A 58 -2.703 17.462 -0.992 1.00 0.00 C ATOM 873 NE ARG A 58 -2.561 17.512 0.462 1.00 0.00 N ATOM 874 CZ ARG A 58 -3.579 17.393 1.311 1.00 0.00 C ATOM 875 NH1 ARG A 58 -4.814 17.216 0.857 1.00 0.00 N ATOM 876 NH2 ARG A 58 -3.362 17.448 2.618 1.00 0.00 N ATOM 0 H ARG A 58 -1.685 15.415 -5.526 1.00 0.00 H new ATOM 0 HA ARG A 58 -1.780 14.694 -3.422 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -3.277 16.971 -3.373 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -4.483 15.815 -2.843 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -3.468 15.463 -0.828 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -1.852 15.557 -1.498 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -1.840 17.937 -1.457 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -3.581 18.034 -1.291 1.00 0.00 H new ATOM 0 HE ARG A 58 -1.627 17.646 0.849 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -4.987 17.171 -0.147 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -5.590 17.125 1.512 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -2.415 17.582 2.973 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -4.142 17.357 3.269 1.00 0.00 H new ATOM 890 N VAL A 59 -4.914 13.787 -4.022 1.00 0.00 N ATOM 891 CA VAL A 59 -5.819 12.644 -4.024 1.00 0.00 C ATOM 892 C VAL A 59 -5.311 11.554 -4.961 1.00 0.00 C ATOM 893 O VAL A 59 -5.326 10.372 -4.620 1.00 0.00 O ATOM 894 CB VAL A 59 -7.243 13.050 -4.450 1.00 0.00 C ATOM 895 CG1 VAL A 59 -7.857 13.998 -3.432 1.00 0.00 C ATOM 896 CG2 VAL A 59 -7.227 13.679 -5.836 1.00 0.00 C ATOM 0 H VAL A 59 -5.361 14.678 -4.236 1.00 0.00 H new ATOM 0 HA VAL A 59 -5.853 12.263 -3.003 1.00 0.00 H new ATOM 0 HB VAL A 59 -7.860 12.152 -4.491 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -8.862 14.273 -3.751 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -7.906 13.506 -2.460 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -7.243 14.895 -3.354 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -8.241 13.959 -6.120 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -6.595 14.567 -5.825 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -6.834 12.962 -6.556 1.00 0.00 H new ATOM 906 N SER A 60 -4.850 11.965 -6.138 1.00 0.00 N ATOM 907 CA SER A 60 -4.325 11.024 -7.119 1.00 0.00 C ATOM 908 C SER A 60 -3.083 10.336 -6.576 1.00 0.00 C ATOM 909 O SER A 60 -2.852 9.157 -6.846 1.00 0.00 O ATOM 910 CB SER A 60 -4.001 11.741 -8.431 1.00 0.00 C ATOM 911 OG SER A 60 -3.570 10.822 -9.421 1.00 0.00 O ATOM 0 H SER A 60 -4.830 12.941 -6.434 1.00 0.00 H new ATOM 0 HA SER A 60 -5.087 10.270 -7.316 1.00 0.00 H new ATOM 0 HB2 SER A 60 -4.883 12.275 -8.785 1.00 0.00 H new ATOM 0 HB3 SER A 60 -3.225 12.487 -8.260 1.00 0.00 H new ATOM 0 HG SER A 60 -3.371 11.304 -10.250 1.00 0.00 H new ATOM 917 N LEU A 61 -2.289 11.065 -5.791 1.00 0.00 N ATOM 918 CA LEU A 61 -1.089 10.490 -5.203 1.00 0.00 C ATOM 919 C LEU A 61 -1.457 9.223 -4.448 1.00 0.00 C ATOM 920 O LEU A 61 -0.700 8.252 -4.430 1.00 0.00 O ATOM 921 CB LEU A 61 -0.410 11.489 -4.262 1.00 0.00 C ATOM 922 CG LEU A 61 1.094 11.276 -4.065 1.00 0.00 C ATOM 923 CD1 LEU A 61 1.811 12.605 -3.925 1.00 0.00 C ATOM 924 CD2 LEU A 61 1.354 10.400 -2.853 1.00 0.00 C ATOM 0 H LEU A 61 -2.456 12.043 -5.552 1.00 0.00 H new ATOM 0 HA LEU A 61 -0.386 10.248 -6.000 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -0.571 12.496 -4.648 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -0.899 11.438 -3.289 1.00 0.00 H new ATOM 0 HG LEU A 61 1.485 10.769 -4.947 1.00 0.00 H new ATOM 0 HD11 LEU A 61 2.878 12.430 -3.786 1.00 0.00 H new ATOM 0 HD12 LEU A 61 1.655 13.199 -4.825 1.00 0.00 H new ATOM 0 HD13 LEU A 61 1.416 13.142 -3.063 1.00 0.00 H new ATOM 0 HD21 LEU A 61 2.428 10.260 -2.729 1.00 0.00 H new ATOM 0 HD22 LEU A 61 0.946 10.879 -1.963 1.00 0.00 H new ATOM 0 HD23 LEU A 61 0.876 9.431 -2.995 1.00 0.00 H new ATOM 936 N LEU A 62 -2.645 9.232 -3.845 1.00 0.00 N ATOM 937 CA LEU A 62 -3.132 8.076 -3.112 1.00 0.00 C ATOM 938 C LEU A 62 -3.339 6.915 -4.074 1.00 0.00 C ATOM 939 O LEU A 62 -2.863 5.809 -3.844 1.00 0.00 O ATOM 940 CB LEU A 62 -4.452 8.412 -2.397 1.00 0.00 C ATOM 941 CG LEU A 62 -4.604 7.827 -0.988 1.00 0.00 C ATOM 942 CD1 LEU A 62 -4.286 6.343 -0.998 1.00 0.00 C ATOM 943 CD2 LEU A 62 -3.689 8.552 -0.015 1.00 0.00 C ATOM 0 H LEU A 62 -3.283 10.028 -3.852 1.00 0.00 H new ATOM 0 HA LEU A 62 -2.395 7.795 -2.360 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -4.546 9.496 -2.334 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -5.279 8.056 -3.011 1.00 0.00 H new ATOM 0 HG LEU A 62 -5.636 7.962 -0.665 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -4.398 5.940 0.009 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -4.970 5.829 -1.673 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -3.261 6.193 -1.337 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -3.807 8.126 0.982 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -2.654 8.440 -0.337 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -3.949 9.610 0.009 1.00 0.00 H new ATOM 955 N TYR A 63 -4.032 7.186 -5.173 1.00 0.00 N ATOM 956 CA TYR A 63 -4.295 6.171 -6.184 1.00 0.00 C ATOM 957 C TYR A 63 -3.001 5.515 -6.660 1.00 0.00 C ATOM 958 O TYR A 63 -2.977 4.327 -6.981 1.00 0.00 O ATOM 959 CB TYR A 63 -5.036 6.792 -7.371 1.00 0.00 C ATOM 960 CG TYR A 63 -5.268 5.837 -8.521 1.00 0.00 C ATOM 961 CD1 TYR A 63 -4.226 5.461 -9.360 1.00 0.00 C ATOM 962 CD2 TYR A 63 -6.531 5.313 -8.771 1.00 0.00 C ATOM 963 CE1 TYR A 63 -4.434 4.591 -10.412 1.00 0.00 C ATOM 964 CE2 TYR A 63 -6.746 4.441 -9.821 1.00 0.00 C ATOM 965 CZ TYR A 63 -5.696 4.085 -10.639 1.00 0.00 C ATOM 966 OH TYR A 63 -5.907 3.217 -11.686 1.00 0.00 O ATOM 0 H TYR A 63 -4.423 8.104 -5.387 1.00 0.00 H new ATOM 0 HA TYR A 63 -4.919 5.399 -5.733 1.00 0.00 H new ATOM 0 HB2 TYR A 63 -5.999 7.171 -7.027 1.00 0.00 H new ATOM 0 HB3 TYR A 63 -4.467 7.649 -7.733 1.00 0.00 H new ATOM 0 HD1 TYR A 63 -3.236 5.856 -9.186 1.00 0.00 H new ATOM 0 HD2 TYR A 63 -7.358 5.592 -8.134 1.00 0.00 H new ATOM 0 HE1 TYR A 63 -3.612 4.309 -11.053 1.00 0.00 H new ATOM 0 HE2 TYR A 63 -7.733 4.040 -10.000 1.00 0.00 H new ATOM 0 HH TYR A 63 -6.850 2.953 -11.707 1.00 0.00 H new ATOM 976 N ASP A 64 -1.934 6.300 -6.718 1.00 0.00 N ATOM 977 CA ASP A 64 -0.644 5.800 -7.173 1.00 0.00 C ATOM 978 C ASP A 64 0.089 5.011 -6.085 1.00 0.00 C ATOM 979 O ASP A 64 1.111 4.381 -6.360 1.00 0.00 O ATOM 980 CB ASP A 64 0.227 6.963 -7.649 1.00 0.00 C ATOM 981 CG ASP A 64 0.850 6.700 -9.007 1.00 0.00 C ATOM 982 OD1 ASP A 64 1.436 5.613 -9.190 1.00 0.00 O ATOM 983 OD2 ASP A 64 0.751 7.581 -9.887 1.00 0.00 O ATOM 0 H ASP A 64 -1.936 7.286 -6.456 1.00 0.00 H new ATOM 0 HA ASP A 64 -0.833 5.116 -8.000 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -0.377 7.869 -7.698 1.00 0.00 H new ATOM 0 HB3 ASP A 64 1.016 7.145 -6.919 1.00 0.00 H new ATOM 988 N TRP A 65 -0.417 5.045 -4.852 1.00 0.00 N ATOM 989 CA TRP A 65 0.233 4.324 -3.760 1.00 0.00 C ATOM 990 C TRP A 65 0.022 2.814 -3.883 1.00 0.00 C ATOM 991 O TRP A 65 0.976 2.037 -3.858 1.00 0.00 O ATOM 992 CB TRP A 65 -0.309 4.790 -2.398 1.00 0.00 C ATOM 993 CG TRP A 65 -0.927 3.669 -1.605 1.00 0.00 C ATOM 994 CD1 TRP A 65 -0.275 2.749 -0.834 1.00 0.00 C ATOM 995 CD2 TRP A 65 -2.316 3.331 -1.533 1.00 0.00 C ATOM 996 NE1 TRP A 65 -1.170 1.848 -0.318 1.00 0.00 N ATOM 997 CE2 TRP A 65 -2.433 2.194 -0.720 1.00 0.00 C ATOM 998 CE3 TRP A 65 -3.471 3.881 -2.079 1.00 0.00 C ATOM 999 CZ2 TRP A 65 -3.663 1.600 -0.441 1.00 0.00 C ATOM 1000 CZ3 TRP A 65 -4.687 3.299 -1.803 1.00 0.00 C ATOM 1001 CH2 TRP A 65 -4.777 2.167 -0.988 1.00 0.00 C ATOM 0 H TRP A 65 -1.260 5.555 -4.588 1.00 0.00 H new ATOM 0 HA TRP A 65 1.299 4.541 -3.826 1.00 0.00 H new ATOM 0 HB2 TRP A 65 0.502 5.234 -1.821 1.00 0.00 H new ATOM 0 HB3 TRP A 65 -1.053 5.571 -2.555 1.00 0.00 H new ATOM 0 HD1 TRP A 65 0.790 2.734 -0.657 1.00 0.00 H new ATOM 0 HE1 TRP A 65 -0.934 1.049 0.270 1.00 0.00 H new ATOM 0 HE3 TRP A 65 -3.414 4.754 -2.712 1.00 0.00 H new ATOM 0 HZ2 TRP A 65 -3.732 0.723 0.185 1.00 0.00 H new ATOM 0 HZ3 TRP A 65 -5.587 3.724 -2.223 1.00 0.00 H new ATOM 0 HH2 TRP A 65 -5.746 1.733 -0.788 1.00 0.00 H new ATOM 1012 N LEU A 66 -1.241 2.414 -3.980 1.00 0.00 N ATOM 1013 CA LEU A 66 -1.598 1.006 -4.065 1.00 0.00 C ATOM 1014 C LEU A 66 -1.271 0.422 -5.433 1.00 0.00 C ATOM 1015 O LEU A 66 -0.723 -0.677 -5.527 1.00 0.00 O ATOM 1016 CB LEU A 66 -3.080 0.822 -3.723 1.00 0.00 C ATOM 1017 CG LEU A 66 -3.373 -0.275 -2.688 1.00 0.00 C ATOM 1018 CD1 LEU A 66 -4.873 -0.427 -2.477 1.00 0.00 C ATOM 1019 CD2 LEU A 66 -2.754 -1.595 -3.121 1.00 0.00 C ATOM 0 H LEU A 66 -2.038 3.051 -4.002 1.00 0.00 H new ATOM 0 HA LEU A 66 -0.999 0.458 -3.337 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -3.472 1.768 -3.349 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -3.624 0.591 -4.639 1.00 0.00 H new ATOM 0 HG LEU A 66 -2.924 0.019 -1.739 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -5.059 -1.209 -1.741 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -5.287 0.515 -2.119 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -5.348 -0.697 -3.420 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -2.971 -2.361 -2.376 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -3.172 -1.895 -4.082 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -1.675 -1.477 -3.215 1.00 0.00 H new ATOM 1031 N ASP A 67 -1.591 1.158 -6.493 1.00 0.00 N ATOM 1032 CA ASP A 67 -1.304 0.692 -7.846 1.00 0.00 C ATOM 1033 C ASP A 67 0.152 0.254 -7.941 1.00 0.00 C ATOM 1034 O ASP A 67 0.488 -0.688 -8.659 1.00 0.00 O ATOM 1035 CB ASP A 67 -1.597 1.793 -8.869 1.00 0.00 C ATOM 1036 CG ASP A 67 -2.714 1.413 -9.820 1.00 0.00 C ATOM 1037 OD1 ASP A 67 -3.878 1.348 -9.373 1.00 0.00 O ATOM 1038 OD2 ASP A 67 -2.426 1.183 -11.013 1.00 0.00 O ATOM 0 H ASP A 67 -2.044 2.070 -6.443 1.00 0.00 H new ATOM 0 HA ASP A 67 -1.948 -0.159 -8.069 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -1.865 2.710 -8.345 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -0.693 2.005 -9.440 1.00 0.00 H new ATOM 1043 N GLU A 68 1.004 0.934 -7.182 1.00 0.00 N ATOM 1044 CA GLU A 68 2.421 0.613 -7.143 1.00 0.00 C ATOM 1045 C GLU A 68 2.623 -0.729 -6.454 1.00 0.00 C ATOM 1046 O GLU A 68 3.439 -1.547 -6.877 1.00 0.00 O ATOM 1047 CB GLU A 68 3.185 1.707 -6.395 1.00 0.00 C ATOM 1048 CG GLU A 68 4.426 2.193 -7.124 1.00 0.00 C ATOM 1049 CD GLU A 68 4.094 2.984 -8.373 1.00 0.00 C ATOM 1050 OE1 GLU A 68 2.966 2.835 -8.888 1.00 0.00 O ATOM 1051 OE2 GLU A 68 4.963 3.754 -8.837 1.00 0.00 O ATOM 0 H GLU A 68 0.734 1.714 -6.584 1.00 0.00 H new ATOM 0 HA GLU A 68 2.803 0.553 -8.162 1.00 0.00 H new ATOM 0 HB2 GLU A 68 2.519 2.553 -6.227 1.00 0.00 H new ATOM 0 HB3 GLU A 68 3.475 1.330 -5.414 1.00 0.00 H new ATOM 0 HG2 GLU A 68 5.018 2.814 -6.452 1.00 0.00 H new ATOM 0 HG3 GLU A 68 5.043 1.336 -7.394 1.00 0.00 H new ATOM 1058 N LEU A 69 1.855 -0.945 -5.390 1.00 0.00 N ATOM 1059 CA LEU A 69 1.921 -2.184 -4.630 1.00 0.00 C ATOM 1060 C LEU A 69 1.302 -3.330 -5.423 1.00 0.00 C ATOM 1061 O LEU A 69 1.720 -4.482 -5.303 1.00 0.00 O ATOM 1062 CB LEU A 69 1.196 -2.024 -3.291 1.00 0.00 C ATOM 1063 CG LEU A 69 2.091 -1.637 -2.113 1.00 0.00 C ATOM 1064 CD1 LEU A 69 2.747 -0.287 -2.361 1.00 0.00 C ATOM 1065 CD2 LEU A 69 1.289 -1.611 -0.821 1.00 0.00 C ATOM 0 H LEU A 69 1.176 -0.272 -5.035 1.00 0.00 H new ATOM 0 HA LEU A 69 2.969 -2.416 -4.440 1.00 0.00 H new ATOM 0 HB2 LEU A 69 0.421 -1.266 -3.403 1.00 0.00 H new ATOM 0 HB3 LEU A 69 0.693 -2.961 -3.053 1.00 0.00 H new ATOM 0 HG LEU A 69 2.876 -2.387 -2.016 1.00 0.00 H new ATOM 0 HD11 LEU A 69 3.380 -0.029 -1.512 1.00 0.00 H new ATOM 0 HD12 LEU A 69 3.355 -0.338 -3.264 1.00 0.00 H new ATOM 0 HD13 LEU A 69 1.977 0.474 -2.485 1.00 0.00 H new ATOM 0 HD21 LEU A 69 1.942 -1.334 0.007 1.00 0.00 H new ATOM 0 HD22 LEU A 69 0.483 -0.882 -0.908 1.00 0.00 H new ATOM 0 HD23 LEU A 69 0.867 -2.598 -0.635 1.00 0.00 H new ATOM 1077 N LEU A 70 0.296 -3.003 -6.229 1.00 0.00 N ATOM 1078 CA LEU A 70 -0.394 -3.998 -7.040 1.00 0.00 C ATOM 1079 C LEU A 70 0.533 -4.601 -8.094 1.00 0.00 C ATOM 1080 O LEU A 70 0.656 -5.820 -8.202 1.00 0.00 O ATOM 1081 CB LEU A 70 -1.616 -3.371 -7.715 1.00 0.00 C ATOM 1082 CG LEU A 70 -2.947 -4.061 -7.412 1.00 0.00 C ATOM 1083 CD1 LEU A 70 -4.095 -3.327 -8.088 1.00 0.00 C ATOM 1084 CD2 LEU A 70 -2.905 -5.515 -7.857 1.00 0.00 C ATOM 0 H LEU A 70 -0.060 -2.053 -6.337 1.00 0.00 H new ATOM 0 HA LEU A 70 -0.718 -4.801 -6.379 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -1.687 -2.328 -7.408 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -1.459 -3.376 -8.794 1.00 0.00 H new ATOM 0 HG LEU A 70 -3.112 -4.035 -6.335 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -5.034 -3.832 -7.861 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -4.137 -2.301 -7.721 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -3.938 -3.321 -9.167 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -3.860 -5.991 -7.634 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -2.718 -5.562 -8.930 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -2.107 -6.035 -7.326 1.00 0.00 H new ATOM 1096 N PHE A 71 1.175 -3.737 -8.875 1.00 0.00 N ATOM 1097 CA PHE A 71 2.082 -4.183 -9.929 1.00 0.00 C ATOM 1098 C PHE A 71 3.372 -4.760 -9.352 1.00 0.00 C ATOM 1099 O PHE A 71 3.795 -5.855 -9.725 1.00 0.00 O ATOM 1100 CB PHE A 71 2.405 -3.022 -10.872 1.00 0.00 C ATOM 1101 CG PHE A 71 2.027 -3.288 -12.301 1.00 0.00 C ATOM 1102 CD1 PHE A 71 0.702 -3.231 -12.703 1.00 0.00 C ATOM 1103 CD2 PHE A 71 2.997 -3.593 -13.242 1.00 0.00 C ATOM 1104 CE1 PHE A 71 0.351 -3.474 -14.017 1.00 0.00 C ATOM 1105 CE2 PHE A 71 2.652 -3.838 -14.558 1.00 0.00 C ATOM 1106 CZ PHE A 71 1.327 -3.778 -14.946 1.00 0.00 C ATOM 0 H PHE A 71 1.084 -2.724 -8.798 1.00 0.00 H new ATOM 0 HA PHE A 71 1.580 -4.974 -10.486 1.00 0.00 H new ATOM 0 HB2 PHE A 71 1.885 -2.129 -10.527 1.00 0.00 H new ATOM 0 HB3 PHE A 71 3.473 -2.809 -10.821 1.00 0.00 H new ATOM 0 HD1 PHE A 71 -0.065 -2.994 -11.981 1.00 0.00 H new ATOM 0 HD2 PHE A 71 4.034 -3.640 -12.944 1.00 0.00 H new ATOM 0 HE1 PHE A 71 -0.685 -3.426 -14.317 1.00 0.00 H new ATOM 0 HE2 PHE A 71 3.417 -4.076 -15.282 1.00 0.00 H new ATOM 0 HZ PHE A 71 1.055 -3.968 -15.974 1.00 0.00 H new ATOM 1116 N ILE A 72 3.999 -4.013 -8.450 1.00 0.00 N ATOM 1117 CA ILE A 72 5.249 -4.442 -7.832 1.00 0.00 C ATOM 1118 C ILE A 72 5.128 -5.830 -7.206 1.00 0.00 C ATOM 1119 O ILE A 72 6.088 -6.602 -7.200 1.00 0.00 O ATOM 1120 CB ILE A 72 5.725 -3.439 -6.760 1.00 0.00 C ATOM 1121 CG1 ILE A 72 7.178 -3.723 -6.374 1.00 0.00 C ATOM 1122 CG2 ILE A 72 4.827 -3.492 -5.534 1.00 0.00 C ATOM 1123 CD1 ILE A 72 8.000 -2.471 -6.153 1.00 0.00 C ATOM 0 H ILE A 72 3.661 -3.105 -8.130 1.00 0.00 H new ATOM 0 HA ILE A 72 5.987 -4.483 -8.633 1.00 0.00 H new ATOM 0 HB ILE A 72 5.667 -2.435 -7.180 1.00 0.00 H new ATOM 0 HG12 ILE A 72 7.193 -4.323 -5.464 1.00 0.00 H new ATOM 0 HG13 ILE A 72 7.644 -4.320 -7.158 1.00 0.00 H new ATOM 0 HG21 ILE A 72 5.182 -2.777 -4.792 1.00 0.00 H new ATOM 0 HG22 ILE A 72 3.805 -3.242 -5.820 1.00 0.00 H new ATOM 0 HG23 ILE A 72 4.849 -4.496 -5.110 1.00 0.00 H new ATOM 0 HD11 ILE A 72 9.019 -2.748 -5.882 1.00 0.00 H new ATOM 0 HD12 ILE A 72 8.016 -1.880 -7.069 1.00 0.00 H new ATOM 0 HD13 ILE A 72 7.558 -1.883 -5.349 1.00 0.00 H new ATOM 1135 N HIS A 73 3.951 -6.142 -6.668 1.00 0.00 N ATOM 1136 CA HIS A 73 3.726 -7.436 -6.030 1.00 0.00 C ATOM 1137 C HIS A 73 4.174 -8.579 -6.935 1.00 0.00 C ATOM 1138 O HIS A 73 4.968 -9.424 -6.527 1.00 0.00 O ATOM 1139 CB HIS A 73 2.247 -7.600 -5.669 1.00 0.00 C ATOM 1140 CG HIS A 73 2.010 -7.795 -4.204 1.00 0.00 C ATOM 1141 ND1 HIS A 73 1.100 -8.704 -3.702 1.00 0.00 N ATOM 1142 CD2 HIS A 73 2.572 -7.195 -3.127 1.00 0.00 C ATOM 1143 CE1 HIS A 73 1.112 -8.652 -2.381 1.00 0.00 C ATOM 1144 NE2 HIS A 73 1.998 -7.745 -2.008 1.00 0.00 N ATOM 0 H HIS A 73 3.143 -5.520 -6.661 1.00 0.00 H new ATOM 0 HA HIS A 73 4.321 -7.470 -5.117 1.00 0.00 H new ATOM 0 HB2 HIS A 73 1.699 -6.719 -6.004 1.00 0.00 H new ATOM 0 HB3 HIS A 73 1.841 -8.453 -6.212 1.00 0.00 H new ATOM 0 HD2 HIS A 73 3.331 -6.427 -3.146 1.00 0.00 H new ATOM 0 HE1 HIS A 73 0.502 -9.249 -1.719 1.00 0.00 H new ATOM 0 HE2 HIS A 73 2.219 -7.494 -1.044 1.00 0.00 H new ATOM 1153 N ASP A 74 3.682 -8.593 -8.168 1.00 0.00 N ATOM 1154 CA ASP A 74 4.066 -9.630 -9.117 1.00 0.00 C ATOM 1155 C ASP A 74 5.480 -9.394 -9.603 1.00 0.00 C ATOM 1156 O ASP A 74 6.231 -10.341 -9.841 1.00 0.00 O ATOM 1157 CB ASP A 74 3.093 -9.683 -10.296 1.00 0.00 C ATOM 1158 CG ASP A 74 3.173 -10.993 -11.055 1.00 0.00 C ATOM 1159 OD1 ASP A 74 4.301 -11.472 -11.294 1.00 0.00 O ATOM 1160 OD2 ASP A 74 2.108 -11.539 -11.411 1.00 0.00 O ATOM 0 H ASP A 74 3.023 -7.905 -8.531 1.00 0.00 H new ATOM 0 HA ASP A 74 4.026 -10.593 -8.608 1.00 0.00 H new ATOM 0 HB2 ASP A 74 2.076 -9.540 -9.931 1.00 0.00 H new ATOM 0 HB3 ASP A 74 3.306 -8.859 -10.977 1.00 0.00 H new ATOM 1165 N THR A 75 5.857 -8.128 -9.716 1.00 0.00 N ATOM 1166 CA THR A 75 7.203 -7.792 -10.135 1.00 0.00 C ATOM 1167 C THR A 75 8.185 -8.293 -9.089 1.00 0.00 C ATOM 1168 O THR A 75 9.373 -8.464 -9.362 1.00 0.00 O ATOM 1169 CB THR A 75 7.353 -6.283 -10.332 1.00 0.00 C ATOM 1170 OG1 THR A 75 6.103 -5.689 -10.632 1.00 0.00 O ATOM 1171 CG2 THR A 75 8.313 -5.917 -11.444 1.00 0.00 C ATOM 0 H THR A 75 5.255 -7.327 -9.525 1.00 0.00 H new ATOM 0 HA THR A 75 7.411 -8.271 -11.092 1.00 0.00 H new ATOM 0 HB THR A 75 7.753 -5.908 -9.390 1.00 0.00 H new ATOM 0 HG1 THR A 75 5.463 -5.897 -9.920 1.00 0.00 H new ATOM 0 HG21 THR A 75 8.373 -4.832 -11.531 1.00 0.00 H new ATOM 0 HG22 THR A 75 9.301 -6.318 -11.218 1.00 0.00 H new ATOM 0 HG23 THR A 75 7.957 -6.337 -12.385 1.00 0.00 H new ATOM 1179 N GLU A 76 7.665 -8.551 -7.890 1.00 0.00 N ATOM 1180 CA GLU A 76 8.476 -9.061 -6.807 1.00 0.00 C ATOM 1181 C GLU A 76 7.614 -9.640 -5.704 1.00 0.00 C ATOM 1182 O GLU A 76 7.482 -9.059 -4.628 1.00 0.00 O ATOM 1183 CB GLU A 76 9.399 -7.973 -6.255 1.00 0.00 C ATOM 1184 CG GLU A 76 8.682 -6.671 -5.935 1.00 0.00 C ATOM 1185 CD GLU A 76 9.371 -5.878 -4.843 1.00 0.00 C ATOM 1186 OE1 GLU A 76 10.620 -5.886 -4.802 1.00 0.00 O ATOM 1187 OE2 GLU A 76 8.663 -5.251 -4.029 1.00 0.00 O ATOM 0 H GLU A 76 6.683 -8.412 -7.653 1.00 0.00 H new ATOM 0 HA GLU A 76 9.096 -9.863 -7.207 1.00 0.00 H new ATOM 0 HB2 GLU A 76 9.883 -8.343 -5.351 1.00 0.00 H new ATOM 0 HB3 GLU A 76 10.188 -7.775 -6.981 1.00 0.00 H new ATOM 0 HG2 GLU A 76 8.622 -6.063 -6.837 1.00 0.00 H new ATOM 0 HG3 GLU A 76 7.659 -6.890 -5.629 1.00 0.00 H new ATOM 1194 N PHE A 77 7.041 -10.805 -5.985 1.00 0.00 N ATOM 1195 CA PHE A 77 6.197 -11.501 -5.025 1.00 0.00 C ATOM 1196 C PHE A 77 6.861 -11.527 -3.653 1.00 0.00 C ATOM 1197 O PHE A 77 7.677 -12.399 -3.358 1.00 0.00 O ATOM 1198 CB PHE A 77 5.917 -12.929 -5.501 1.00 0.00 C ATOM 1199 CG PHE A 77 4.549 -13.105 -6.093 1.00 0.00 C ATOM 1200 CD1 PHE A 77 3.425 -13.105 -5.285 1.00 0.00 C ATOM 1201 CD2 PHE A 77 4.387 -13.266 -7.460 1.00 0.00 C ATOM 1202 CE1 PHE A 77 2.163 -13.266 -5.826 1.00 0.00 C ATOM 1203 CE2 PHE A 77 3.129 -13.426 -8.008 1.00 0.00 C ATOM 1204 CZ PHE A 77 2.016 -13.426 -7.191 1.00 0.00 C ATOM 0 H PHE A 77 7.148 -11.289 -6.877 1.00 0.00 H new ATOM 0 HA PHE A 77 5.251 -10.965 -4.945 1.00 0.00 H new ATOM 0 HB2 PHE A 77 6.664 -13.209 -6.243 1.00 0.00 H new ATOM 0 HB3 PHE A 77 6.031 -13.613 -4.660 1.00 0.00 H new ATOM 0 HD1 PHE A 77 3.535 -12.978 -4.218 1.00 0.00 H new ATOM 0 HD2 PHE A 77 5.254 -13.266 -8.104 1.00 0.00 H new ATOM 0 HE1 PHE A 77 1.295 -13.267 -5.184 1.00 0.00 H new ATOM 0 HE2 PHE A 77 3.016 -13.551 -9.075 1.00 0.00 H new ATOM 0 HZ PHE A 77 1.032 -13.551 -7.618 1.00 0.00 H new ATOM 1214 N ILE A 78 6.517 -10.549 -2.830 1.00 0.00 N ATOM 1215 CA ILE A 78 7.088 -10.436 -1.493 1.00 0.00 C ATOM 1216 C ILE A 78 6.043 -10.693 -0.412 1.00 0.00 C ATOM 1217 O ILE A 78 4.997 -10.042 -0.373 1.00 0.00 O ATOM 1218 CB ILE A 78 7.700 -9.039 -1.269 1.00 0.00 C ATOM 1219 CG1 ILE A 78 6.666 -7.947 -1.560 1.00 0.00 C ATOM 1220 CG2 ILE A 78 8.932 -8.852 -2.142 1.00 0.00 C ATOM 1221 CD1 ILE A 78 7.198 -6.544 -1.367 1.00 0.00 C ATOM 0 H ILE A 78 5.844 -9.819 -3.063 1.00 0.00 H new ATOM 0 HA ILE A 78 7.868 -11.194 -1.421 1.00 0.00 H new ATOM 0 HB ILE A 78 8.001 -8.958 -0.225 1.00 0.00 H new ATOM 0 HG12 ILE A 78 6.314 -8.055 -2.586 1.00 0.00 H new ATOM 0 HG13 ILE A 78 5.803 -8.092 -0.910 1.00 0.00 H new ATOM 0 HG21 ILE A 78 9.352 -7.861 -1.972 1.00 0.00 H new ATOM 0 HG22 ILE A 78 9.675 -9.609 -1.890 1.00 0.00 H new ATOM 0 HG23 ILE A 78 8.653 -8.953 -3.191 1.00 0.00 H new ATOM 0 HD11 ILE A 78 6.412 -5.823 -1.591 1.00 0.00 H new ATOM 0 HD12 ILE A 78 7.524 -6.417 -0.335 1.00 0.00 H new ATOM 0 HD13 ILE A 78 8.042 -6.380 -2.037 1.00 0.00 H new ATOM 1233 N LEU A 79 6.335 -11.650 0.466 1.00 0.00 N ATOM 1234 CA LEU A 79 5.425 -11.999 1.554 1.00 0.00 C ATOM 1235 C LEU A 79 5.430 -10.926 2.636 1.00 0.00 C ATOM 1236 O LEU A 79 4.384 -10.574 3.179 1.00 0.00 O ATOM 1237 CB LEU A 79 5.812 -13.340 2.177 1.00 0.00 C ATOM 1238 CG LEU A 79 6.345 -14.388 1.198 1.00 0.00 C ATOM 1239 CD1 LEU A 79 7.830 -14.627 1.428 1.00 0.00 C ATOM 1240 CD2 LEU A 79 5.567 -15.687 1.338 1.00 0.00 C ATOM 0 H LEU A 79 7.195 -12.198 0.445 1.00 0.00 H new ATOM 0 HA LEU A 79 4.424 -12.074 1.130 1.00 0.00 H new ATOM 0 HB2 LEU A 79 6.569 -13.162 2.940 1.00 0.00 H new ATOM 0 HB3 LEU A 79 4.939 -13.751 2.684 1.00 0.00 H new ATOM 0 HG LEU A 79 6.212 -14.013 0.183 1.00 0.00 H new ATOM 0 HD11 LEU A 79 8.192 -15.375 0.723 1.00 0.00 H new ATOM 0 HD12 LEU A 79 8.376 -13.695 1.280 1.00 0.00 H new ATOM 0 HD13 LEU A 79 7.988 -14.982 2.446 1.00 0.00 H new ATOM 0 HD21 LEU A 79 5.958 -16.423 0.635 1.00 0.00 H new ATOM 0 HD22 LEU A 79 5.671 -16.066 2.355 1.00 0.00 H new ATOM 0 HD23 LEU A 79 4.514 -15.505 1.125 1.00 0.00 H new ATOM 1252 N PHE A 80 6.616 -10.416 2.948 1.00 0.00 N ATOM 1253 CA PHE A 80 6.762 -9.391 3.974 1.00 0.00 C ATOM 1254 C PHE A 80 7.352 -8.123 3.387 1.00 0.00 C ATOM 1255 O PHE A 80 8.241 -8.177 2.537 1.00 0.00 O ATOM 1256 CB PHE A 80 7.660 -9.900 5.108 1.00 0.00 C ATOM 1257 CG PHE A 80 8.400 -8.816 5.851 1.00 0.00 C ATOM 1258 CD1 PHE A 80 9.645 -8.392 5.418 1.00 0.00 C ATOM 1259 CD2 PHE A 80 7.853 -8.224 6.980 1.00 0.00 C ATOM 1260 CE1 PHE A 80 10.330 -7.399 6.093 1.00 0.00 C ATOM 1261 CE2 PHE A 80 8.533 -7.232 7.659 1.00 0.00 C ATOM 1262 CZ PHE A 80 9.774 -6.818 7.215 1.00 0.00 C ATOM 0 H PHE A 80 7.491 -10.696 2.505 1.00 0.00 H new ATOM 0 HA PHE A 80 5.772 -9.166 4.372 1.00 0.00 H new ATOM 0 HB2 PHE A 80 7.048 -10.457 5.817 1.00 0.00 H new ATOM 0 HB3 PHE A 80 8.386 -10.600 4.694 1.00 0.00 H new ATOM 0 HD1 PHE A 80 10.087 -8.843 4.542 1.00 0.00 H new ATOM 0 HD2 PHE A 80 6.883 -8.543 7.332 1.00 0.00 H new ATOM 0 HE1 PHE A 80 11.300 -7.078 5.743 1.00 0.00 H new ATOM 0 HE2 PHE A 80 8.095 -6.780 8.537 1.00 0.00 H new ATOM 0 HZ PHE A 80 10.307 -6.042 7.744 1.00 0.00 H new ATOM 1272 N SER A 81 6.866 -6.979 3.851 1.00 0.00 N ATOM 1273 CA SER A 81 7.373 -5.714 3.365 1.00 0.00 C ATOM 1274 C SER A 81 7.194 -4.594 4.381 1.00 0.00 C ATOM 1275 O SER A 81 6.098 -4.375 4.899 1.00 0.00 O ATOM 1276 CB SER A 81 6.687 -5.338 2.050 1.00 0.00 C ATOM 1277 OG SER A 81 7.519 -4.505 1.262 1.00 0.00 O ATOM 0 H SER A 81 6.131 -6.906 4.554 1.00 0.00 H new ATOM 0 HA SER A 81 8.443 -5.839 3.197 1.00 0.00 H new ATOM 0 HB2 SER A 81 6.440 -6.242 1.493 1.00 0.00 H new ATOM 0 HB3 SER A 81 5.748 -4.826 2.259 1.00 0.00 H new ATOM 0 HG SER A 81 6.966 -3.868 0.763 1.00 0.00 H new ATOM 1283 N LYS A 82 8.275 -3.860 4.629 1.00 0.00 N ATOM 1284 CA LYS A 82 8.237 -2.729 5.543 1.00 0.00 C ATOM 1285 C LYS A 82 7.791 -1.504 4.764 1.00 0.00 C ATOM 1286 O LYS A 82 8.219 -1.306 3.627 1.00 0.00 O ATOM 1287 CB LYS A 82 9.611 -2.491 6.173 1.00 0.00 C ATOM 1288 CG LYS A 82 10.698 -2.167 5.161 1.00 0.00 C ATOM 1289 CD LYS A 82 12.020 -1.852 5.844 1.00 0.00 C ATOM 1290 CE LYS A 82 12.547 -3.051 6.616 1.00 0.00 C ATOM 1291 NZ LYS A 82 12.223 -2.963 8.067 1.00 0.00 N ATOM 0 H LYS A 82 9.188 -4.031 4.208 1.00 0.00 H new ATOM 0 HA LYS A 82 7.537 -2.934 6.353 1.00 0.00 H new ATOM 0 HB2 LYS A 82 9.536 -1.672 6.888 1.00 0.00 H new ATOM 0 HB3 LYS A 82 9.902 -3.379 6.735 1.00 0.00 H new ATOM 0 HG2 LYS A 82 10.829 -3.011 4.484 1.00 0.00 H new ATOM 0 HG3 LYS A 82 10.389 -1.316 4.554 1.00 0.00 H new ATOM 0 HD2 LYS A 82 12.753 -1.548 5.097 1.00 0.00 H new ATOM 0 HD3 LYS A 82 11.888 -1.010 6.523 1.00 0.00 H new ATOM 0 HE2 LYS A 82 12.120 -3.965 6.203 1.00 0.00 H new ATOM 0 HE3 LYS A 82 13.627 -3.119 6.489 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 12.017 -3.914 8.435 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 13.034 -2.561 8.580 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 11.392 -2.353 8.201 1.00 0.00 H new ATOM 1305 N PHE A 83 6.905 -0.701 5.338 1.00 0.00 N ATOM 1306 CA PHE A 83 6.408 0.462 4.619 1.00 0.00 C ATOM 1307 C PHE A 83 6.991 1.769 5.123 1.00 0.00 C ATOM 1308 O PHE A 83 6.805 2.165 6.273 1.00 0.00 O ATOM 1309 CB PHE A 83 4.882 0.509 4.702 1.00 0.00 C ATOM 1310 CG PHE A 83 4.234 -0.838 4.562 1.00 0.00 C ATOM 1311 CD1 PHE A 83 3.934 -1.349 3.311 1.00 0.00 C ATOM 1312 CD2 PHE A 83 3.932 -1.595 5.682 1.00 0.00 C ATOM 1313 CE1 PHE A 83 3.343 -2.591 3.179 1.00 0.00 C ATOM 1314 CE2 PHE A 83 3.340 -2.837 5.556 1.00 0.00 C ATOM 1315 CZ PHE A 83 3.045 -3.336 4.303 1.00 0.00 C ATOM 0 H PHE A 83 6.524 -0.829 6.276 1.00 0.00 H new ATOM 0 HA PHE A 83 6.728 0.353 3.583 1.00 0.00 H new ATOM 0 HB2 PHE A 83 4.591 0.946 5.657 1.00 0.00 H new ATOM 0 HB3 PHE A 83 4.503 1.169 3.921 1.00 0.00 H new ATOM 0 HD1 PHE A 83 4.164 -0.771 2.429 1.00 0.00 H new ATOM 0 HD2 PHE A 83 4.162 -1.210 6.665 1.00 0.00 H new ATOM 0 HE1 PHE A 83 3.114 -2.979 2.197 1.00 0.00 H new ATOM 0 HE2 PHE A 83 3.108 -3.417 6.437 1.00 0.00 H new ATOM 0 HZ PHE A 83 2.582 -4.307 4.202 1.00 0.00 H new ATOM 1325 N LYS A 84 7.646 2.453 4.202 1.00 0.00 N ATOM 1326 CA LYS A 84 8.222 3.759 4.441 1.00 0.00 C ATOM 1327 C LYS A 84 7.839 4.626 3.253 1.00 0.00 C ATOM 1328 O LYS A 84 8.247 4.337 2.131 1.00 0.00 O ATOM 1329 CB LYS A 84 9.747 3.661 4.608 1.00 0.00 C ATOM 1330 CG LYS A 84 10.547 4.495 3.618 1.00 0.00 C ATOM 1331 CD LYS A 84 11.994 4.646 4.060 1.00 0.00 C ATOM 1332 CE LYS A 84 12.559 6.000 3.661 1.00 0.00 C ATOM 1333 NZ LYS A 84 13.992 6.139 4.044 1.00 0.00 N ATOM 0 H LYS A 84 7.794 2.109 3.253 1.00 0.00 H new ATOM 0 HA LYS A 84 7.845 4.196 5.366 1.00 0.00 H new ATOM 0 HB2 LYS A 84 10.009 3.971 5.620 1.00 0.00 H new ATOM 0 HB3 LYS A 84 10.044 2.617 4.507 1.00 0.00 H new ATOM 0 HG2 LYS A 84 10.513 4.027 2.634 1.00 0.00 H new ATOM 0 HG3 LYS A 84 10.091 5.480 3.518 1.00 0.00 H new ATOM 0 HD2 LYS A 84 12.060 4.527 5.142 1.00 0.00 H new ATOM 0 HD3 LYS A 84 12.596 3.854 3.615 1.00 0.00 H new ATOM 0 HE2 LYS A 84 12.457 6.133 2.584 1.00 0.00 H new ATOM 0 HE3 LYS A 84 11.978 6.790 4.136 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 14.339 7.076 3.755 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 14.087 6.038 5.075 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 14.551 5.401 3.570 1.00 0.00 H new ATOM 1347 N VAL A 85 7.036 5.655 3.470 1.00 0.00 N ATOM 1348 CA VAL A 85 6.605 6.491 2.357 1.00 0.00 C ATOM 1349 C VAL A 85 7.171 7.902 2.435 1.00 0.00 C ATOM 1350 O VAL A 85 7.417 8.440 3.516 1.00 0.00 O ATOM 1351 CB VAL A 85 5.063 6.530 2.226 1.00 0.00 C ATOM 1352 CG1 VAL A 85 4.395 5.656 3.276 1.00 0.00 C ATOM 1353 CG2 VAL A 85 4.535 7.950 2.306 1.00 0.00 C ATOM 0 H VAL A 85 6.675 5.929 4.384 1.00 0.00 H new ATOM 0 HA VAL A 85 7.009 6.025 1.458 1.00 0.00 H new ATOM 0 HB VAL A 85 4.815 6.131 1.243 1.00 0.00 H new ATOM 0 HG11 VAL A 85 3.313 5.706 3.156 1.00 0.00 H new ATOM 0 HG12 VAL A 85 4.726 4.625 3.155 1.00 0.00 H new ATOM 0 HG13 VAL A 85 4.667 6.010 4.270 1.00 0.00 H new ATOM 0 HG21 VAL A 85 3.449 7.940 2.210 1.00 0.00 H new ATOM 0 HG22 VAL A 85 4.811 8.387 3.266 1.00 0.00 H new ATOM 0 HG23 VAL A 85 4.965 8.544 1.500 1.00 0.00 H new ATOM 1363 N LYS A 86 7.385 8.475 1.260 1.00 0.00 N ATOM 1364 CA LYS A 86 7.939 9.810 1.126 1.00 0.00 C ATOM 1365 C LYS A 86 7.095 10.658 0.178 1.00 0.00 C ATOM 1366 O LYS A 86 6.757 10.216 -0.916 1.00 0.00 O ATOM 1367 CB LYS A 86 9.364 9.702 0.582 1.00 0.00 C ATOM 1368 CG LYS A 86 10.314 10.747 1.143 1.00 0.00 C ATOM 1369 CD LYS A 86 11.729 10.551 0.621 1.00 0.00 C ATOM 1370 CE LYS A 86 12.757 11.160 1.561 1.00 0.00 C ATOM 1371 NZ LYS A 86 13.189 12.512 1.111 1.00 0.00 N ATOM 0 H LYS A 86 7.178 8.023 0.369 1.00 0.00 H new ATOM 0 HA LYS A 86 7.942 10.291 2.104 1.00 0.00 H new ATOM 0 HB2 LYS A 86 9.755 8.710 0.808 1.00 0.00 H new ATOM 0 HB3 LYS A 86 9.337 9.794 -0.504 1.00 0.00 H new ATOM 0 HG2 LYS A 86 9.961 11.743 0.875 1.00 0.00 H new ATOM 0 HG3 LYS A 86 10.316 10.692 2.232 1.00 0.00 H new ATOM 0 HD2 LYS A 86 11.930 9.486 0.501 1.00 0.00 H new ATOM 0 HD3 LYS A 86 11.821 11.006 -0.365 1.00 0.00 H new ATOM 0 HE2 LYS A 86 12.336 11.229 2.564 1.00 0.00 H new ATOM 0 HE3 LYS A 86 13.625 10.504 1.624 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 13.890 12.893 1.779 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 13.614 12.443 0.164 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 12.365 13.146 1.075 1.00 0.00 H new ATOM 1385 N ILE A 87 6.774 11.882 0.579 1.00 0.00 N ATOM 1386 CA ILE A 87 5.996 12.774 -0.277 1.00 0.00 C ATOM 1387 C ILE A 87 6.689 14.124 -0.412 1.00 0.00 C ATOM 1388 O ILE A 87 7.074 14.734 0.585 1.00 0.00 O ATOM 1389 CB ILE A 87 4.559 12.993 0.239 1.00 0.00 C ATOM 1390 CG1 ILE A 87 3.856 11.652 0.477 1.00 0.00 C ATOM 1391 CG2 ILE A 87 3.782 13.830 -0.767 1.00 0.00 C ATOM 1392 CD1 ILE A 87 2.355 11.774 0.667 1.00 0.00 C ATOM 0 H ILE A 87 7.036 12.278 1.482 1.00 0.00 H new ATOM 0 HA ILE A 87 5.931 12.286 -1.249 1.00 0.00 H new ATOM 0 HB ILE A 87 4.602 13.522 1.191 1.00 0.00 H new ATOM 0 HG12 ILE A 87 4.054 10.993 -0.369 1.00 0.00 H new ATOM 0 HG13 ILE A 87 4.287 11.177 1.358 1.00 0.00 H new ATOM 0 HG21 ILE A 87 2.766 13.985 -0.404 1.00 0.00 H new ATOM 0 HG22 ILE A 87 4.273 14.795 -0.894 1.00 0.00 H new ATOM 0 HG23 ILE A 87 3.749 13.310 -1.725 1.00 0.00 H new ATOM 0 HD11 ILE A 87 1.927 10.785 0.830 1.00 0.00 H new ATOM 0 HD12 ILE A 87 2.148 12.406 1.531 1.00 0.00 H new ATOM 0 HD13 ILE A 87 1.911 12.219 -0.223 1.00 0.00 H new ATOM 1404 N ASP A 88 6.857 14.586 -1.649 1.00 0.00 N ATOM 1405 CA ASP A 88 7.517 15.862 -1.895 1.00 0.00 C ATOM 1406 C ASP A 88 6.735 16.723 -2.883 1.00 0.00 C ATOM 1407 O ASP A 88 6.500 16.323 -4.024 1.00 0.00 O ATOM 1408 CB ASP A 88 8.927 15.619 -2.433 1.00 0.00 C ATOM 1409 CG ASP A 88 9.869 15.091 -1.369 1.00 0.00 C ATOM 1410 OD1 ASP A 88 9.496 14.122 -0.676 1.00 0.00 O ATOM 1411 OD2 ASP A 88 10.979 15.647 -1.230 1.00 0.00 O ATOM 0 H ASP A 88 6.547 14.099 -2.490 1.00 0.00 H new ATOM 0 HA ASP A 88 7.566 16.399 -0.947 1.00 0.00 H new ATOM 0 HB2 ASP A 88 8.881 14.908 -3.258 1.00 0.00 H new ATOM 0 HB3 ASP A 88 9.324 16.550 -2.836 1.00 0.00 H new ATOM 1416 N GLU A 89 6.361 17.920 -2.442 1.00 0.00 N ATOM 1417 CA GLU A 89 5.633 18.860 -3.287 1.00 0.00 C ATOM 1418 C GLU A 89 6.553 19.979 -3.738 1.00 0.00 C ATOM 1419 O GLU A 89 7.022 20.782 -2.932 1.00 0.00 O ATOM 1420 CB GLU A 89 4.431 19.437 -2.540 1.00 0.00 C ATOM 1421 CG GLU A 89 3.388 18.397 -2.172 1.00 0.00 C ATOM 1422 CD GLU A 89 1.971 18.923 -2.295 1.00 0.00 C ATOM 1423 OE1 GLU A 89 1.743 19.824 -3.129 1.00 0.00 O ATOM 1424 OE2 GLU A 89 1.089 18.433 -1.558 1.00 0.00 O ATOM 0 H GLU A 89 6.551 18.263 -1.500 1.00 0.00 H new ATOM 0 HA GLU A 89 5.270 18.324 -4.164 1.00 0.00 H new ATOM 0 HB2 GLU A 89 4.780 19.927 -1.631 1.00 0.00 H new ATOM 0 HB3 GLU A 89 3.964 20.205 -3.157 1.00 0.00 H new ATOM 0 HG2 GLU A 89 3.506 17.526 -2.817 1.00 0.00 H new ATOM 0 HG3 GLU A 89 3.560 18.062 -1.149 1.00 0.00 H new ATOM 1431 N LYS A 90 6.800 20.021 -5.031 1.00 0.00 N ATOM 1432 CA LYS A 90 7.661 21.035 -5.616 1.00 0.00 C ATOM 1433 C LYS A 90 6.976 21.664 -6.817 1.00 0.00 C ATOM 1434 O LYS A 90 5.790 21.436 -7.056 1.00 0.00 O ATOM 1435 CB LYS A 90 9.015 20.439 -6.028 1.00 0.00 C ATOM 1436 CG LYS A 90 9.151 18.952 -5.739 1.00 0.00 C ATOM 1437 CD LYS A 90 8.311 18.121 -6.696 1.00 0.00 C ATOM 1438 CE LYS A 90 9.179 17.331 -7.664 1.00 0.00 C ATOM 1439 NZ LYS A 90 9.085 15.866 -7.422 1.00 0.00 N ATOM 0 H LYS A 90 6.414 19.359 -5.704 1.00 0.00 H new ATOM 0 HA LYS A 90 7.846 21.803 -4.865 1.00 0.00 H new ATOM 0 HB2 LYS A 90 9.164 20.606 -7.095 1.00 0.00 H new ATOM 0 HB3 LYS A 90 9.809 20.974 -5.507 1.00 0.00 H new ATOM 0 HG2 LYS A 90 10.197 18.658 -5.822 1.00 0.00 H new ATOM 0 HG3 LYS A 90 8.843 18.750 -4.713 1.00 0.00 H new ATOM 0 HD2 LYS A 90 7.683 17.435 -6.128 1.00 0.00 H new ATOM 0 HD3 LYS A 90 7.643 18.775 -7.256 1.00 0.00 H new ATOM 0 HE2 LYS A 90 8.874 17.551 -8.687 1.00 0.00 H new ATOM 0 HE3 LYS A 90 10.217 17.650 -7.565 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 9.942 15.399 -7.782 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 8.997 15.688 -6.401 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 8.251 15.486 -7.913 1.00 0.00 H new ATOM 1453 N ASP A 91 7.724 22.448 -7.577 1.00 0.00 N ATOM 1454 CA ASP A 91 7.183 23.098 -8.760 1.00 0.00 C ATOM 1455 C ASP A 91 6.811 22.080 -9.842 1.00 0.00 C ATOM 1456 O ASP A 91 6.540 22.455 -10.982 1.00 0.00 O ATOM 1457 CB ASP A 91 8.197 24.091 -9.320 1.00 0.00 C ATOM 1458 CG ASP A 91 8.151 25.428 -8.608 1.00 0.00 C ATOM 1459 OD1 ASP A 91 8.399 25.458 -7.384 1.00 0.00 O ATOM 1460 OD2 ASP A 91 7.868 26.447 -9.273 1.00 0.00 O ATOM 0 H ASP A 91 8.707 22.650 -7.396 1.00 0.00 H new ATOM 0 HA ASP A 91 6.276 23.625 -8.463 1.00 0.00 H new ATOM 0 HB2 ASP A 91 9.199 23.671 -9.233 1.00 0.00 H new ATOM 0 HB3 ASP A 91 8.005 24.242 -10.382 1.00 0.00 H new ATOM 1465 N ASP A 92 6.796 20.795 -9.487 1.00 0.00 N ATOM 1466 CA ASP A 92 6.453 19.749 -10.444 1.00 0.00 C ATOM 1467 C ASP A 92 5.092 19.140 -10.118 1.00 0.00 C ATOM 1468 O ASP A 92 4.472 18.495 -10.963 1.00 0.00 O ATOM 1469 CB ASP A 92 7.528 18.661 -10.451 1.00 0.00 C ATOM 1470 CG ASP A 92 7.955 18.278 -11.854 1.00 0.00 C ATOM 1471 OD1 ASP A 92 7.077 17.913 -12.663 1.00 0.00 O ATOM 1472 OD2 ASP A 92 9.169 18.344 -12.144 1.00 0.00 O ATOM 0 H ASP A 92 7.016 20.457 -8.550 1.00 0.00 H new ATOM 0 HA ASP A 92 6.400 20.200 -11.435 1.00 0.00 H new ATOM 0 HB2 ASP A 92 8.397 19.009 -9.892 1.00 0.00 H new ATOM 0 HB3 ASP A 92 7.150 17.778 -9.935 1.00 0.00 H new ATOM 1477 N GLY A 93 4.635 19.349 -8.887 1.00 0.00 N ATOM 1478 CA GLY A 93 3.354 18.814 -8.473 1.00 0.00 C ATOM 1479 C GLY A 93 3.454 17.975 -7.223 1.00 0.00 C ATOM 1480 O GLY A 93 3.608 18.502 -6.122 1.00 0.00 O ATOM 0 H GLY A 93 5.130 19.879 -8.170 1.00 0.00 H new ATOM 0 HA2 GLY A 93 2.659 19.636 -8.300 1.00 0.00 H new ATOM 0 HA3 GLY A 93 2.938 18.210 -9.280 1.00 0.00 H new ATOM 1484 N LEU A 94 3.348 16.667 -7.395 1.00 0.00 N ATOM 1485 CA LEU A 94 3.403 15.745 -6.274 1.00 0.00 C ATOM 1486 C LEU A 94 4.289 14.538 -6.580 1.00 0.00 C ATOM 1487 O LEU A 94 4.172 13.923 -7.636 1.00 0.00 O ATOM 1488 CB LEU A 94 1.987 15.272 -5.944 1.00 0.00 C ATOM 1489 CG LEU A 94 1.289 16.006 -4.802 1.00 0.00 C ATOM 1490 CD1 LEU A 94 1.913 15.645 -3.466 1.00 0.00 C ATOM 1491 CD2 LEU A 94 1.325 17.510 -5.022 1.00 0.00 C ATOM 0 H LEU A 94 3.223 16.220 -8.303 1.00 0.00 H new ATOM 0 HA LEU A 94 3.836 16.268 -5.422 1.00 0.00 H new ATOM 0 HB2 LEU A 94 1.374 15.368 -6.840 1.00 0.00 H new ATOM 0 HB3 LEU A 94 2.027 14.211 -5.698 1.00 0.00 H new ATOM 0 HG LEU A 94 0.246 15.690 -4.787 1.00 0.00 H new ATOM 0 HD11 LEU A 94 1.399 16.180 -2.668 1.00 0.00 H new ATOM 0 HD12 LEU A 94 1.822 14.572 -3.300 1.00 0.00 H new ATOM 0 HD13 LEU A 94 2.967 15.924 -3.469 1.00 0.00 H new ATOM 0 HD21 LEU A 94 0.821 18.011 -4.195 1.00 0.00 H new ATOM 0 HD22 LEU A 94 2.361 17.846 -5.073 1.00 0.00 H new ATOM 0 HD23 LEU A 94 0.819 17.753 -5.956 1.00 0.00 H new ATOM 1503 N HIS A 95 5.164 14.198 -5.641 1.00 0.00 N ATOM 1504 CA HIS A 95 6.054 13.051 -5.796 1.00 0.00 C ATOM 1505 C HIS A 95 5.944 12.130 -4.586 1.00 0.00 C ATOM 1506 O HIS A 95 5.800 12.595 -3.456 1.00 0.00 O ATOM 1507 CB HIS A 95 7.502 13.510 -5.980 1.00 0.00 C ATOM 1508 CG HIS A 95 8.202 12.836 -7.119 1.00 0.00 C ATOM 1509 ND1 HIS A 95 8.204 13.108 -8.446 1.00 0.00 N flip ATOM 1510 CD2 HIS A 95 9.019 11.737 -6.956 1.00 0.00 C flip ATOM 1511 CE1 HIS A 95 9.012 12.180 -9.052 1.00 0.00 C flip ATOM 1512 NE2 HIS A 95 9.492 11.364 -8.132 1.00 0.00 N flip ATOM 0 H HIS A 95 5.277 14.701 -4.761 1.00 0.00 H new ATOM 0 HA HIS A 95 5.752 12.501 -6.687 1.00 0.00 H new ATOM 0 HB2 HIS A 95 7.515 14.588 -6.142 1.00 0.00 H new ATOM 0 HB3 HIS A 95 8.055 13.319 -5.060 1.00 0.00 H new ATOM 0 HD2 HIS A 95 9.238 11.256 -6.014 1.00 0.00 H new ATOM 0 HE1 HIS A 95 9.222 12.126 -10.110 1.00 0.00 H new ATOM 0 HE2 HIS A 95 10.121 10.579 -8.300 1.00 0.00 H new ATOM 1521 N LEU A 96 6.007 10.827 -4.825 1.00 0.00 N ATOM 1522 CA LEU A 96 5.909 9.852 -3.746 1.00 0.00 C ATOM 1523 C LEU A 96 7.074 8.865 -3.785 1.00 0.00 C ATOM 1524 O LEU A 96 7.358 8.269 -4.820 1.00 0.00 O ATOM 1525 CB LEU A 96 4.581 9.100 -3.838 1.00 0.00 C ATOM 1526 CG LEU A 96 4.063 8.530 -2.517 1.00 0.00 C ATOM 1527 CD1 LEU A 96 2.777 7.750 -2.738 1.00 0.00 C ATOM 1528 CD2 LEU A 96 5.117 7.646 -1.876 1.00 0.00 C ATOM 0 H LEU A 96 6.125 10.421 -5.753 1.00 0.00 H new ATOM 0 HA LEU A 96 5.953 10.390 -2.799 1.00 0.00 H new ATOM 0 HB2 LEU A 96 3.827 9.774 -4.245 1.00 0.00 H new ATOM 0 HB3 LEU A 96 4.694 8.282 -4.549 1.00 0.00 H new ATOM 0 HG LEU A 96 3.848 9.360 -1.843 1.00 0.00 H new ATOM 0 HD11 LEU A 96 2.424 7.352 -1.786 1.00 0.00 H new ATOM 0 HD12 LEU A 96 2.019 8.410 -3.159 1.00 0.00 H new ATOM 0 HD13 LEU A 96 2.965 6.927 -3.428 1.00 0.00 H new ATOM 0 HD21 LEU A 96 4.735 7.247 -0.936 1.00 0.00 H new ATOM 0 HD22 LEU A 96 5.359 6.823 -2.548 1.00 0.00 H new ATOM 0 HD23 LEU A 96 6.015 8.233 -1.682 1.00 0.00 H new ATOM 1540 N THR A 97 7.736 8.687 -2.648 1.00 0.00 N ATOM 1541 CA THR A 97 8.857 7.753 -2.558 1.00 0.00 C ATOM 1542 C THR A 97 8.611 6.744 -1.439 1.00 0.00 C ATOM 1543 O THR A 97 8.470 7.114 -0.279 1.00 0.00 O ATOM 1544 CB THR A 97 10.171 8.501 -2.321 1.00 0.00 C ATOM 1545 OG1 THR A 97 10.022 9.881 -2.602 1.00 0.00 O ATOM 1546 CG2 THR A 97 11.315 7.984 -3.167 1.00 0.00 C ATOM 0 H THR A 97 7.519 9.173 -1.778 1.00 0.00 H new ATOM 0 HA THR A 97 8.936 7.218 -3.505 1.00 0.00 H new ATOM 0 HB THR A 97 10.411 8.335 -1.271 1.00 0.00 H new ATOM 0 HG1 THR A 97 10.873 10.341 -2.443 1.00 0.00 H new ATOM 0 HG21 THR A 97 12.216 8.558 -2.950 1.00 0.00 H new ATOM 0 HG22 THR A 97 11.490 6.933 -2.939 1.00 0.00 H new ATOM 0 HG23 THR A 97 11.063 8.089 -4.222 1.00 0.00 H new ATOM 1554 N GLY A 98 8.553 5.473 -1.798 1.00 0.00 N ATOM 1555 CA GLY A 98 8.306 4.430 -0.812 1.00 0.00 C ATOM 1556 C GLY A 98 9.358 3.331 -0.821 1.00 0.00 C ATOM 1557 O GLY A 98 9.938 3.026 -1.862 1.00 0.00 O ATOM 0 H GLY A 98 8.672 5.139 -2.754 1.00 0.00 H new ATOM 0 HA2 GLY A 98 8.269 4.879 0.180 1.00 0.00 H new ATOM 0 HA3 GLY A 98 7.327 3.988 -0.999 1.00 0.00 H new ATOM 1561 N THR A 99 9.611 2.743 0.350 1.00 0.00 N ATOM 1562 CA THR A 99 10.611 1.681 0.484 1.00 0.00 C ATOM 1563 C THR A 99 9.990 0.370 0.973 1.00 0.00 C ATOM 1564 O THR A 99 9.091 0.373 1.814 1.00 0.00 O ATOM 1565 CB THR A 99 11.702 2.118 1.459 1.00 0.00 C ATOM 1566 OG1 THR A 99 12.197 3.400 1.114 1.00 0.00 O ATOM 1567 CG2 THR A 99 12.878 1.165 1.506 1.00 0.00 C ATOM 0 H THR A 99 9.137 2.984 1.220 1.00 0.00 H new ATOM 0 HA THR A 99 11.037 1.505 -0.504 1.00 0.00 H new ATOM 0 HB THR A 99 11.228 2.130 2.440 1.00 0.00 H new ATOM 0 HG1 THR A 99 13.078 3.532 1.523 1.00 0.00 H new ATOM 0 HG21 THR A 99 13.617 1.534 2.218 1.00 0.00 H new ATOM 0 HG22 THR A 99 12.535 0.179 1.818 1.00 0.00 H new ATOM 0 HG23 THR A 99 13.330 1.096 0.517 1.00 0.00 H new ATOM 1575 N ALA A 100 10.485 -0.751 0.443 1.00 0.00 N ATOM 1576 CA ALA A 100 9.989 -2.072 0.828 1.00 0.00 C ATOM 1577 C ALA A 100 11.129 -3.089 0.937 1.00 0.00 C ATOM 1578 O ALA A 100 11.977 -3.177 0.051 1.00 0.00 O ATOM 1579 CB ALA A 100 8.945 -2.553 -0.168 1.00 0.00 C ATOM 0 H ALA A 100 11.229 -0.769 -0.254 1.00 0.00 H new ATOM 0 HA ALA A 100 9.528 -1.982 1.812 1.00 0.00 H new ATOM 0 HB1 ALA A 100 8.584 -3.537 0.130 1.00 0.00 H new ATOM 0 HB2 ALA A 100 8.111 -1.851 -0.188 1.00 0.00 H new ATOM 0 HB3 ALA A 100 9.391 -2.615 -1.161 1.00 0.00 H new ATOM 1585 N MET A 101 11.135 -3.859 2.028 1.00 0.00 N ATOM 1586 CA MET A 101 12.163 -4.880 2.263 1.00 0.00 C ATOM 1587 C MET A 101 11.519 -6.246 2.493 1.00 0.00 C ATOM 1588 O MET A 101 10.432 -6.330 3.061 1.00 0.00 O ATOM 1589 CB MET A 101 13.018 -4.495 3.472 1.00 0.00 C ATOM 1590 CG MET A 101 14.375 -5.177 3.507 1.00 0.00 C ATOM 1591 SD MET A 101 15.526 -4.378 4.643 1.00 0.00 S ATOM 1592 CE MET A 101 17.096 -4.899 3.955 1.00 0.00 C ATOM 0 H MET A 101 10.435 -3.795 2.768 1.00 0.00 H new ATOM 0 HA MET A 101 12.800 -4.940 1.380 1.00 0.00 H new ATOM 0 HB2 MET A 101 13.165 -3.415 3.472 1.00 0.00 H new ATOM 0 HB3 MET A 101 12.474 -4.743 4.383 1.00 0.00 H new ATOM 0 HG2 MET A 101 14.246 -6.219 3.800 1.00 0.00 H new ATOM 0 HG3 MET A 101 14.802 -5.178 2.504 1.00 0.00 H new ATOM 0 HE1 MET A 101 17.736 -5.276 4.753 1.00 0.00 H new ATOM 0 HE2 MET A 101 16.928 -5.687 3.221 1.00 0.00 H new ATOM 0 HE3 MET A 101 17.581 -4.051 3.472 1.00 0.00 H new ATOM 1602 N GLY A 102 12.178 -7.317 2.047 1.00 0.00 N ATOM 1603 CA GLY A 102 11.614 -8.642 2.219 1.00 0.00 C ATOM 1604 C GLY A 102 11.185 -9.233 0.899 1.00 0.00 C ATOM 1605 O GLY A 102 10.012 -9.178 0.537 1.00 0.00 O ATOM 0 H GLY A 102 13.082 -7.289 1.575 1.00 0.00 H new ATOM 0 HA2 GLY A 102 12.350 -9.294 2.689 1.00 0.00 H new ATOM 0 HA3 GLY A 102 10.758 -8.590 2.892 1.00 0.00 H new ATOM 1609 N GLU A 103 12.144 -9.777 0.169 1.00 0.00 N ATOM 1610 CA GLU A 103 11.871 -10.355 -1.135 1.00 0.00 C ATOM 1611 C GLU A 103 12.144 -11.857 -1.152 1.00 0.00 C ATOM 1612 O GLU A 103 12.835 -12.382 -0.279 1.00 0.00 O ATOM 1613 CB GLU A 103 12.715 -9.643 -2.187 1.00 0.00 C ATOM 1614 CG GLU A 103 12.141 -9.731 -3.591 1.00 0.00 C ATOM 1615 CD GLU A 103 12.996 -10.572 -4.520 1.00 0.00 C ATOM 1616 OE1 GLU A 103 13.506 -11.619 -4.070 1.00 0.00 O ATOM 1617 OE2 GLU A 103 13.154 -10.183 -5.696 1.00 0.00 O ATOM 0 H GLU A 103 13.121 -9.830 0.458 1.00 0.00 H new ATOM 0 HA GLU A 103 10.814 -10.218 -1.361 1.00 0.00 H new ATOM 0 HB2 GLU A 103 12.816 -8.594 -1.910 1.00 0.00 H new ATOM 0 HB3 GLU A 103 13.718 -10.071 -2.186 1.00 0.00 H new ATOM 0 HG2 GLU A 103 11.138 -10.155 -3.543 1.00 0.00 H new ATOM 0 HG3 GLU A 103 12.043 -8.727 -4.003 1.00 0.00 H new ATOM 1624 N GLU A 104 11.583 -12.538 -2.156 1.00 0.00 N ATOM 1625 CA GLU A 104 11.736 -13.988 -2.323 1.00 0.00 C ATOM 1626 C GLU A 104 10.594 -14.744 -1.650 1.00 0.00 C ATOM 1627 O GLU A 104 10.684 -15.116 -0.480 1.00 0.00 O ATOM 1628 CB GLU A 104 13.083 -14.476 -1.775 1.00 0.00 C ATOM 1629 CG GLU A 104 13.530 -15.807 -2.358 1.00 0.00 C ATOM 1630 CD GLU A 104 14.304 -16.650 -1.364 1.00 0.00 C ATOM 1631 OE1 GLU A 104 14.104 -16.464 -0.145 1.00 0.00 O ATOM 1632 OE2 GLU A 104 15.111 -17.496 -1.804 1.00 0.00 O ATOM 0 H GLU A 104 11.009 -12.100 -2.877 1.00 0.00 H new ATOM 0 HA GLU A 104 11.706 -14.193 -3.393 1.00 0.00 H new ATOM 0 HB2 GLU A 104 13.844 -13.724 -1.982 1.00 0.00 H new ATOM 0 HB3 GLU A 104 13.013 -14.569 -0.691 1.00 0.00 H new ATOM 0 HG2 GLU A 104 12.656 -16.363 -2.697 1.00 0.00 H new ATOM 0 HG3 GLU A 104 14.151 -15.625 -3.235 1.00 0.00 H new ATOM 1639 N ILE A 105 9.520 -14.969 -2.403 1.00 0.00 N ATOM 1640 CA ILE A 105 8.355 -15.682 -1.892 1.00 0.00 C ATOM 1641 C ILE A 105 8.643 -17.173 -1.739 1.00 0.00 C ATOM 1642 O ILE A 105 9.263 -17.788 -2.606 1.00 0.00 O ATOM 1643 CB ILE A 105 7.132 -15.498 -2.818 1.00 0.00 C ATOM 1644 CG1 ILE A 105 5.861 -15.984 -2.124 1.00 0.00 C ATOM 1645 CG2 ILE A 105 7.337 -16.239 -4.132 1.00 0.00 C ATOM 1646 CD1 ILE A 105 4.612 -15.259 -2.574 1.00 0.00 C ATOM 0 H ILE A 105 9.434 -14.666 -3.373 1.00 0.00 H new ATOM 0 HA ILE A 105 8.129 -15.257 -0.914 1.00 0.00 H new ATOM 0 HB ILE A 105 7.024 -14.436 -3.037 1.00 0.00 H new ATOM 0 HG12 ILE A 105 5.740 -17.051 -2.312 1.00 0.00 H new ATOM 0 HG13 ILE A 105 5.975 -15.861 -1.047 1.00 0.00 H new ATOM 0 HG21 ILE A 105 6.465 -16.097 -4.770 1.00 0.00 H new ATOM 0 HG22 ILE A 105 8.222 -15.849 -4.635 1.00 0.00 H new ATOM 0 HG23 ILE A 105 7.472 -17.302 -3.933 1.00 0.00 H new ATOM 0 HD11 ILE A 105 3.749 -15.656 -2.040 1.00 0.00 H new ATOM 0 HD12 ILE A 105 4.713 -14.195 -2.361 1.00 0.00 H new ATOM 0 HD13 ILE A 105 4.474 -15.403 -3.645 1.00 0.00 H new ATOM 1658 N LYS A 106 8.182 -17.751 -0.634 1.00 0.00 N ATOM 1659 CA LYS A 106 8.385 -19.171 -0.375 1.00 0.00 C ATOM 1660 C LYS A 106 7.150 -19.974 -0.776 1.00 0.00 C ATOM 1661 O LYS A 106 6.020 -19.554 -0.535 1.00 0.00 O ATOM 1662 CB LYS A 106 8.705 -19.401 1.105 1.00 0.00 C ATOM 1663 CG LYS A 106 10.052 -20.067 1.339 1.00 0.00 C ATOM 1664 CD LYS A 106 11.199 -19.081 1.176 1.00 0.00 C ATOM 1665 CE LYS A 106 12.393 -19.461 2.039 1.00 0.00 C ATOM 1666 NZ LYS A 106 13.642 -19.582 1.236 1.00 0.00 N ATOM 0 H LYS A 106 7.666 -17.258 0.095 1.00 0.00 H new ATOM 0 HA LYS A 106 9.229 -19.511 -0.975 1.00 0.00 H new ATOM 0 HB2 LYS A 106 8.687 -18.443 1.625 1.00 0.00 H new ATOM 0 HB3 LYS A 106 7.922 -20.018 1.546 1.00 0.00 H new ATOM 0 HG2 LYS A 106 10.078 -20.494 2.341 1.00 0.00 H new ATOM 0 HG3 LYS A 106 10.178 -20.892 0.638 1.00 0.00 H new ATOM 0 HD2 LYS A 106 11.503 -19.045 0.130 1.00 0.00 H new ATOM 0 HD3 LYS A 106 10.860 -18.080 1.444 1.00 0.00 H new ATOM 0 HE2 LYS A 106 12.533 -18.710 2.817 1.00 0.00 H new ATOM 0 HE3 LYS A 106 12.191 -20.407 2.542 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 14.432 -19.842 1.860 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 13.518 -20.316 0.510 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 13.849 -18.672 0.777 1.00 0.00 H new ATOM 1680 N GLU A 107 7.376 -21.130 -1.394 1.00 0.00 N ATOM 1681 CA GLU A 107 6.279 -21.988 -1.830 1.00 0.00 C ATOM 1682 C GLU A 107 5.401 -22.394 -0.650 1.00 0.00 C ATOM 1683 O GLU A 107 5.894 -22.897 0.359 1.00 0.00 O ATOM 1684 CB GLU A 107 6.826 -23.235 -2.527 1.00 0.00 C ATOM 1685 CG GLU A 107 7.088 -23.036 -4.012 1.00 0.00 C ATOM 1686 CD GLU A 107 8.528 -23.316 -4.393 1.00 0.00 C ATOM 1687 OE1 GLU A 107 9.005 -24.440 -4.128 1.00 0.00 O ATOM 1688 OE2 GLU A 107 9.180 -22.412 -4.959 1.00 0.00 O ATOM 0 H GLU A 107 8.306 -21.493 -1.604 1.00 0.00 H new ATOM 0 HA GLU A 107 5.668 -21.424 -2.535 1.00 0.00 H new ATOM 0 HB2 GLU A 107 7.753 -23.536 -2.040 1.00 0.00 H new ATOM 0 HB3 GLU A 107 6.118 -24.054 -2.398 1.00 0.00 H new ATOM 0 HG2 GLU A 107 6.431 -23.691 -4.584 1.00 0.00 H new ATOM 0 HG3 GLU A 107 6.836 -22.012 -4.288 1.00 0.00 H new ATOM 1695 N GLY A 108 4.097 -22.171 -0.785 1.00 0.00 N ATOM 1696 CA GLY A 108 3.170 -22.517 0.277 1.00 0.00 C ATOM 1697 C GLY A 108 3.531 -21.865 1.597 1.00 0.00 C ATOM 1698 O GLY A 108 3.399 -22.477 2.658 1.00 0.00 O ATOM 0 H GLY A 108 3.666 -21.757 -1.611 1.00 0.00 H new ATOM 0 HA2 GLY A 108 2.163 -22.214 -0.011 1.00 0.00 H new ATOM 0 HA3 GLY A 108 3.154 -23.600 0.402 1.00 0.00 H new ATOM 1702 N HIS A 109 3.991 -20.621 1.531 1.00 0.00 N ATOM 1703 CA HIS A 109 4.378 -19.883 2.728 1.00 0.00 C ATOM 1704 C HIS A 109 3.164 -19.237 3.391 1.00 0.00 C ATOM 1705 O HIS A 109 2.670 -18.207 2.933 1.00 0.00 O ATOM 1706 CB HIS A 109 5.410 -18.811 2.371 1.00 0.00 C ATOM 1707 CG HIS A 109 6.181 -18.304 3.550 1.00 0.00 C ATOM 1708 ND1 HIS A 109 7.255 -17.448 3.434 1.00 0.00 N ATOM 1709 CD2 HIS A 109 6.029 -18.537 4.876 1.00 0.00 C ATOM 1710 CE1 HIS A 109 7.732 -17.176 4.635 1.00 0.00 C ATOM 1711 NE2 HIS A 109 7.006 -17.824 5.528 1.00 0.00 N ATOM 0 H HIS A 109 4.105 -20.102 0.661 1.00 0.00 H new ATOM 0 HA HIS A 109 4.818 -20.587 3.434 1.00 0.00 H new ATOM 0 HB2 HIS A 109 6.108 -19.220 1.640 1.00 0.00 H new ATOM 0 HB3 HIS A 109 4.901 -17.974 1.893 1.00 0.00 H new ATOM 0 HD2 HIS A 109 5.280 -19.166 5.335 1.00 0.00 H new ATOM 0 HE1 HIS A 109 8.573 -16.533 4.850 1.00 0.00 H new ATOM 0 HE2 HIS A 109 7.148 -17.799 6.538 1.00 0.00 H new ATOM 1720 N GLU A 110 2.693 -19.850 4.474 1.00 0.00 N ATOM 1721 CA GLU A 110 1.539 -19.338 5.207 1.00 0.00 C ATOM 1722 C GLU A 110 0.296 -19.308 4.321 1.00 0.00 C ATOM 1723 O GLU A 110 0.299 -18.705 3.248 1.00 0.00 O ATOM 1724 CB GLU A 110 1.830 -17.934 5.748 1.00 0.00 C ATOM 1725 CG GLU A 110 2.360 -17.930 7.173 1.00 0.00 C ATOM 1726 CD GLU A 110 1.458 -18.680 8.134 1.00 0.00 C ATOM 1727 OE1 GLU A 110 0.223 -18.632 7.951 1.00 0.00 O ATOM 1728 OE2 GLU A 110 1.987 -19.316 9.071 1.00 0.00 O ATOM 0 H GLU A 110 3.094 -20.703 4.864 1.00 0.00 H new ATOM 0 HA GLU A 110 1.348 -20.009 6.044 1.00 0.00 H new ATOM 0 HB2 GLU A 110 2.556 -17.446 5.098 1.00 0.00 H new ATOM 0 HB3 GLU A 110 0.916 -17.341 5.707 1.00 0.00 H new ATOM 0 HG2 GLU A 110 3.353 -18.378 7.188 1.00 0.00 H new ATOM 0 HG3 GLU A 110 2.470 -16.900 7.513 1.00 0.00 H new ATOM 1735 N ARG A 111 -0.766 -19.963 4.777 1.00 0.00 N ATOM 1736 CA ARG A 111 -2.014 -20.012 4.024 1.00 0.00 C ATOM 1737 C ARG A 111 -3.093 -19.166 4.695 1.00 0.00 C ATOM 1738 O ARG A 111 -3.452 -19.401 5.849 1.00 0.00 O ATOM 1739 CB ARG A 111 -2.496 -21.457 3.883 1.00 0.00 C ATOM 1740 CG ARG A 111 -1.811 -22.221 2.761 1.00 0.00 C ATOM 1741 CD ARG A 111 -1.950 -21.502 1.427 1.00 0.00 C ATOM 1742 NE ARG A 111 -2.493 -22.375 0.388 1.00 0.00 N ATOM 1743 CZ ARG A 111 -1.769 -23.265 -0.286 1.00 0.00 C ATOM 1744 NH1 ARG A 111 -0.474 -23.408 -0.033 1.00 0.00 N ATOM 1745 NH2 ARG A 111 -2.341 -24.016 -1.217 1.00 0.00 N ATOM 0 H ARG A 111 -0.788 -20.467 5.664 1.00 0.00 H new ATOM 0 HA ARG A 111 -1.823 -19.602 3.032 1.00 0.00 H new ATOM 0 HB2 ARG A 111 -2.327 -21.981 4.824 1.00 0.00 H new ATOM 0 HB3 ARG A 111 -3.572 -21.457 3.707 1.00 0.00 H new ATOM 0 HG2 ARG A 111 -0.755 -22.348 2.998 1.00 0.00 H new ATOM 0 HG3 ARG A 111 -2.242 -23.219 2.684 1.00 0.00 H new ATOM 0 HD2 ARG A 111 -2.600 -20.635 1.548 1.00 0.00 H new ATOM 0 HD3 ARG A 111 -0.975 -21.128 1.113 1.00 0.00 H new ATOM 0 HE ARG A 111 -3.486 -22.297 0.167 1.00 0.00 H new ATOM 0 HH11 ARG A 111 -0.028 -22.834 0.682 1.00 0.00 H new ATOM 0 HH12 ARG A 111 0.075 -24.092 -0.554 1.00 0.00 H new ATOM 0 HH21 ARG A 111 -3.336 -23.911 -1.416 1.00 0.00 H new ATOM 0 HH22 ARG A 111 -1.786 -24.698 -1.734 1.00 0.00 H new ATOM 1759 N ARG A 112 -3.605 -18.184 3.962 1.00 0.00 N ATOM 1760 CA ARG A 112 -4.644 -17.302 4.478 1.00 0.00 C ATOM 1761 C ARG A 112 -5.568 -16.848 3.352 1.00 0.00 C ATOM 1762 O ARG A 112 -5.388 -17.234 2.198 1.00 0.00 O ATOM 1763 CB ARG A 112 -4.018 -16.086 5.161 1.00 0.00 C ATOM 1764 CG ARG A 112 -4.833 -15.555 6.330 1.00 0.00 C ATOM 1765 CD ARG A 112 -3.955 -15.252 7.533 1.00 0.00 C ATOM 1766 NE ARG A 112 -4.660 -15.471 8.794 1.00 0.00 N ATOM 1767 CZ ARG A 112 -4.841 -16.671 9.343 1.00 0.00 C ATOM 1768 NH1 ARG A 112 -4.374 -17.760 8.744 1.00 0.00 N ATOM 1769 NH2 ARG A 112 -5.491 -16.782 10.494 1.00 0.00 N ATOM 0 H ARG A 112 -3.316 -17.979 3.006 1.00 0.00 H new ATOM 0 HA ARG A 112 -5.231 -17.856 5.211 1.00 0.00 H new ATOM 0 HB2 ARG A 112 -3.022 -16.352 5.515 1.00 0.00 H new ATOM 0 HB3 ARG A 112 -3.893 -15.291 4.426 1.00 0.00 H new ATOM 0 HG2 ARG A 112 -5.359 -14.650 6.026 1.00 0.00 H new ATOM 0 HG3 ARG A 112 -5.591 -16.287 6.608 1.00 0.00 H new ATOM 0 HD2 ARG A 112 -3.066 -15.882 7.501 1.00 0.00 H new ATOM 0 HD3 ARG A 112 -3.615 -14.218 7.483 1.00 0.00 H new ATOM 0 HE ARG A 112 -5.035 -14.658 9.282 1.00 0.00 H new ATOM 0 HH11 ARG A 112 -3.874 -17.680 7.859 1.00 0.00 H new ATOM 0 HH12 ARG A 112 -4.516 -18.676 9.169 1.00 0.00 H new ATOM 0 HH21 ARG A 112 -5.852 -15.949 10.958 1.00 0.00 H new ATOM 0 HH22 ARG A 112 -5.630 -17.701 10.915 1.00 0.00 H new ATOM 1783 N ASP A 113 -6.556 -16.025 3.690 1.00 0.00 N ATOM 1784 CA ASP A 113 -7.497 -15.528 2.695 1.00 0.00 C ATOM 1785 C ASP A 113 -6.993 -14.227 2.078 1.00 0.00 C ATOM 1786 O ASP A 113 -6.662 -13.278 2.788 1.00 0.00 O ATOM 1787 CB ASP A 113 -8.872 -15.306 3.328 1.00 0.00 C ATOM 1788 CG ASP A 113 -8.827 -14.314 4.474 1.00 0.00 C ATOM 1789 OD1 ASP A 113 -8.104 -14.575 5.457 1.00 0.00 O ATOM 1790 OD2 ASP A 113 -9.515 -13.276 4.388 1.00 0.00 O ATOM 0 H ASP A 113 -6.724 -15.691 4.639 1.00 0.00 H new ATOM 0 HA ASP A 113 -7.585 -16.276 1.907 1.00 0.00 H new ATOM 0 HB2 ASP A 113 -9.566 -14.947 2.567 1.00 0.00 H new ATOM 0 HB3 ASP A 113 -9.260 -16.258 3.690 1.00 0.00 H new ATOM 1795 N GLU A 114 -6.942 -14.192 0.751 1.00 0.00 N ATOM 1796 CA GLU A 114 -6.482 -13.010 0.033 1.00 0.00 C ATOM 1797 C GLU A 114 -7.557 -12.497 -0.918 1.00 0.00 C ATOM 1798 O GLU A 114 -8.287 -13.282 -1.524 1.00 0.00 O ATOM 1799 CB GLU A 114 -5.203 -13.326 -0.745 1.00 0.00 C ATOM 1800 CG GLU A 114 -4.061 -13.812 0.133 1.00 0.00 C ATOM 1801 CD GLU A 114 -3.493 -15.141 -0.327 1.00 0.00 C ATOM 1802 OE1 GLU A 114 -4.282 -16.005 -0.764 1.00 0.00 O ATOM 1803 OE2 GLU A 114 -2.259 -15.318 -0.248 1.00 0.00 O ATOM 0 H GLU A 114 -7.214 -14.970 0.150 1.00 0.00 H new ATOM 0 HA GLU A 114 -6.270 -12.231 0.765 1.00 0.00 H new ATOM 0 HB2 GLU A 114 -5.422 -14.086 -1.495 1.00 0.00 H new ATOM 0 HB3 GLU A 114 -4.883 -12.432 -1.281 1.00 0.00 H new ATOM 0 HG2 GLU A 114 -3.268 -13.064 0.137 1.00 0.00 H new ATOM 0 HG3 GLU A 114 -4.413 -13.908 1.160 1.00 0.00 H new ATOM 1810 N VAL A 115 -7.647 -11.178 -1.054 1.00 0.00 N ATOM 1811 CA VAL A 115 -8.632 -10.574 -1.943 1.00 0.00 C ATOM 1812 C VAL A 115 -8.266 -10.838 -3.400 1.00 0.00 C ATOM 1813 O VAL A 115 -7.238 -10.369 -3.889 1.00 0.00 O ATOM 1814 CB VAL A 115 -8.758 -9.053 -1.705 1.00 0.00 C ATOM 1815 CG1 VAL A 115 -7.484 -8.326 -2.110 1.00 0.00 C ATOM 1816 CG2 VAL A 115 -9.960 -8.496 -2.452 1.00 0.00 C ATOM 0 H VAL A 115 -7.053 -10.510 -0.563 1.00 0.00 H new ATOM 0 HA VAL A 115 -9.596 -11.033 -1.722 1.00 0.00 H new ATOM 0 HB VAL A 115 -8.908 -8.888 -0.638 1.00 0.00 H new ATOM 0 HG11 VAL A 115 -7.602 -7.257 -1.931 1.00 0.00 H new ATOM 0 HG12 VAL A 115 -6.648 -8.702 -1.521 1.00 0.00 H new ATOM 0 HG13 VAL A 115 -7.288 -8.497 -3.169 1.00 0.00 H new ATOM 0 HG21 VAL A 115 -10.034 -7.423 -2.274 1.00 0.00 H new ATOM 0 HG22 VAL A 115 -9.841 -8.679 -3.520 1.00 0.00 H new ATOM 0 HG23 VAL A 115 -10.867 -8.986 -2.099 1.00 0.00 H new ATOM 1826 N LYS A 116 -9.109 -11.602 -4.085 1.00 0.00 N ATOM 1827 CA LYS A 116 -8.870 -11.940 -5.483 1.00 0.00 C ATOM 1828 C LYS A 116 -9.408 -10.863 -6.420 1.00 0.00 C ATOM 1829 O LYS A 116 -9.621 -11.116 -7.606 1.00 0.00 O ATOM 1830 CB LYS A 116 -9.514 -13.287 -5.818 1.00 0.00 C ATOM 1831 CG LYS A 116 -8.585 -14.472 -5.616 1.00 0.00 C ATOM 1832 CD LYS A 116 -7.697 -14.695 -6.829 1.00 0.00 C ATOM 1833 CE LYS A 116 -6.807 -15.915 -6.652 1.00 0.00 C ATOM 1834 NZ LYS A 116 -6.292 -16.422 -7.954 1.00 0.00 N ATOM 0 H LYS A 116 -9.964 -11.999 -3.695 1.00 0.00 H new ATOM 0 HA LYS A 116 -7.792 -12.006 -5.628 1.00 0.00 H new ATOM 0 HB2 LYS A 116 -10.400 -13.421 -5.198 1.00 0.00 H new ATOM 0 HB3 LYS A 116 -9.850 -13.272 -6.855 1.00 0.00 H new ATOM 0 HG2 LYS A 116 -7.965 -14.304 -4.735 1.00 0.00 H new ATOM 0 HG3 LYS A 116 -9.174 -15.369 -5.425 1.00 0.00 H new ATOM 0 HD2 LYS A 116 -8.317 -14.821 -7.717 1.00 0.00 H new ATOM 0 HD3 LYS A 116 -7.078 -13.813 -6.995 1.00 0.00 H new ATOM 0 HE2 LYS A 116 -5.968 -15.661 -6.004 1.00 0.00 H new ATOM 0 HE3 LYS A 116 -7.368 -16.704 -6.152 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 -5.690 -17.254 -7.789 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 -7.091 -16.689 -8.563 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 -5.734 -15.678 -8.420 1.00 0.00 H new ATOM 1848 N ALA A 117 -9.625 -9.662 -5.893 1.00 0.00 N ATOM 1849 CA ALA A 117 -10.135 -8.565 -6.703 1.00 0.00 C ATOM 1850 C ALA A 117 -9.878 -7.215 -6.049 1.00 0.00 C ATOM 1851 O ALA A 117 -10.704 -6.715 -5.286 1.00 0.00 O ATOM 1852 CB ALA A 117 -11.620 -8.748 -6.964 1.00 0.00 C ATOM 0 H ALA A 117 -9.457 -9.426 -4.915 1.00 0.00 H new ATOM 0 HA ALA A 117 -9.600 -8.580 -7.653 1.00 0.00 H new ATOM 0 HB1 ALA A 117 -11.987 -7.920 -7.571 1.00 0.00 H new ATOM 0 HB2 ALA A 117 -11.783 -9.687 -7.493 1.00 0.00 H new ATOM 0 HB3 ALA A 117 -12.156 -8.769 -6.015 1.00 0.00 H new ATOM 1858 N VAL A 118 -8.735 -6.621 -6.367 1.00 0.00 N ATOM 1859 CA VAL A 118 -8.376 -5.317 -5.827 1.00 0.00 C ATOM 1860 C VAL A 118 -8.883 -4.219 -6.750 1.00 0.00 C ATOM 1861 O VAL A 118 -8.381 -4.045 -7.861 1.00 0.00 O ATOM 1862 CB VAL A 118 -6.853 -5.177 -5.642 1.00 0.00 C ATOM 1863 CG1 VAL A 118 -6.497 -3.799 -5.101 1.00 0.00 C ATOM 1864 CG2 VAL A 118 -6.336 -6.267 -4.717 1.00 0.00 C ATOM 0 H VAL A 118 -8.040 -7.022 -6.997 1.00 0.00 H new ATOM 0 HA VAL A 118 -8.843 -5.222 -4.847 1.00 0.00 H new ATOM 0 HB VAL A 118 -6.375 -5.289 -6.615 1.00 0.00 H new ATOM 0 HG11 VAL A 118 -5.416 -3.724 -4.979 1.00 0.00 H new ATOM 0 HG12 VAL A 118 -6.837 -3.035 -5.800 1.00 0.00 H new ATOM 0 HG13 VAL A 118 -6.982 -3.650 -4.136 1.00 0.00 H new ATOM 0 HG21 VAL A 118 -5.258 -6.158 -4.593 1.00 0.00 H new ATOM 0 HG22 VAL A 118 -6.823 -6.181 -3.746 1.00 0.00 H new ATOM 0 HG23 VAL A 118 -6.555 -7.244 -5.148 1.00 0.00 H new ATOM 1874 N THR A 119 -9.898 -3.499 -6.294 1.00 0.00 N ATOM 1875 CA THR A 119 -10.497 -2.439 -7.089 1.00 0.00 C ATOM 1876 C THR A 119 -10.251 -1.060 -6.476 1.00 0.00 C ATOM 1877 O THR A 119 -10.515 -0.834 -5.298 1.00 0.00 O ATOM 1878 CB THR A 119 -12.004 -2.703 -7.238 1.00 0.00 C ATOM 1879 OG1 THR A 119 -12.236 -3.702 -8.215 1.00 0.00 O ATOM 1880 CG2 THR A 119 -12.807 -1.481 -7.640 1.00 0.00 C ATOM 0 H THR A 119 -10.324 -3.631 -5.376 1.00 0.00 H new ATOM 0 HA THR A 119 -10.026 -2.440 -8.072 1.00 0.00 H new ATOM 0 HB THR A 119 -12.335 -3.017 -6.248 1.00 0.00 H new ATOM 0 HG1 THR A 119 -13.199 -3.861 -8.298 1.00 0.00 H new ATOM 0 HG21 THR A 119 -13.860 -1.749 -7.724 1.00 0.00 H new ATOM 0 HG22 THR A 119 -12.690 -0.704 -6.885 1.00 0.00 H new ATOM 0 HG23 THR A 119 -12.449 -1.110 -8.600 1.00 0.00 H new ATOM 1888 N PHE A 120 -9.771 -0.132 -7.299 1.00 0.00 N ATOM 1889 CA PHE A 120 -9.525 1.236 -6.853 1.00 0.00 C ATOM 1890 C PHE A 120 -10.860 1.953 -6.700 1.00 0.00 C ATOM 1891 O PHE A 120 -11.174 2.874 -7.450 1.00 0.00 O ATOM 1892 CB PHE A 120 -8.633 1.979 -7.859 1.00 0.00 C ATOM 1893 CG PHE A 120 -9.104 1.893 -9.286 1.00 0.00 C ATOM 1894 CD1 PHE A 120 -8.732 0.825 -10.091 1.00 0.00 C ATOM 1895 CD2 PHE A 120 -9.913 2.880 -9.827 1.00 0.00 C ATOM 1896 CE1 PHE A 120 -9.158 0.745 -11.403 1.00 0.00 C ATOM 1897 CE2 PHE A 120 -10.341 2.805 -11.139 1.00 0.00 C ATOM 1898 CZ PHE A 120 -9.964 1.737 -11.927 1.00 0.00 C ATOM 0 H PHE A 120 -9.545 -0.302 -8.279 1.00 0.00 H new ATOM 0 HA PHE A 120 -9.007 1.217 -5.894 1.00 0.00 H new ATOM 0 HB2 PHE A 120 -8.576 3.028 -7.570 1.00 0.00 H new ATOM 0 HB3 PHE A 120 -7.622 1.576 -7.797 1.00 0.00 H new ATOM 0 HD1 PHE A 120 -8.102 0.047 -9.687 1.00 0.00 H new ATOM 0 HD2 PHE A 120 -10.213 3.718 -9.216 1.00 0.00 H new ATOM 0 HE1 PHE A 120 -8.861 -0.092 -12.018 1.00 0.00 H new ATOM 0 HE2 PHE A 120 -10.970 3.582 -11.547 1.00 0.00 H new ATOM 0 HZ PHE A 120 -10.299 1.677 -12.952 1.00 0.00 H new ATOM 1908 N HIS A 121 -11.668 1.490 -5.750 1.00 0.00 N ATOM 1909 CA HIS A 121 -12.990 2.062 -5.549 1.00 0.00 C ATOM 1910 C HIS A 121 -12.940 3.536 -5.158 1.00 0.00 C ATOM 1911 O HIS A 121 -13.705 4.345 -5.683 1.00 0.00 O ATOM 1912 CB HIS A 121 -13.753 1.283 -4.489 1.00 0.00 C ATOM 1913 CG HIS A 121 -15.224 1.200 -4.759 1.00 0.00 C ATOM 1914 ND1 HIS A 121 -16.175 1.743 -3.921 1.00 0.00 N ATOM 1915 CD2 HIS A 121 -15.906 0.632 -5.782 1.00 0.00 C ATOM 1916 CE1 HIS A 121 -17.379 1.512 -4.416 1.00 0.00 C ATOM 1917 NE2 HIS A 121 -17.242 0.840 -5.544 1.00 0.00 N ATOM 0 H HIS A 121 -11.431 0.728 -5.115 1.00 0.00 H new ATOM 0 HA HIS A 121 -13.507 1.991 -6.506 1.00 0.00 H new ATOM 0 HB2 HIS A 121 -13.345 0.274 -4.425 1.00 0.00 H new ATOM 0 HB3 HIS A 121 -13.595 1.753 -3.518 1.00 0.00 H new ATOM 0 HD2 HIS A 121 -15.479 0.113 -6.627 1.00 0.00 H new ATOM 0 HE1 HIS A 121 -18.315 1.820 -3.973 1.00 0.00 H new ATOM 0 HE2 HIS A 121 -18.006 0.526 -6.142 1.00 0.00 H new ATOM 1926 N MET A 122 -12.042 3.891 -4.244 1.00 0.00 N ATOM 1927 CA MET A 122 -11.918 5.274 -3.812 1.00 0.00 C ATOM 1928 C MET A 122 -10.507 5.785 -4.065 1.00 0.00 C ATOM 1929 O MET A 122 -10.306 6.721 -4.839 1.00 0.00 O ATOM 1930 CB MET A 122 -12.276 5.408 -2.331 1.00 0.00 C ATOM 1931 CG MET A 122 -13.654 6.002 -2.091 1.00 0.00 C ATOM 1932 SD MET A 122 -14.965 4.765 -2.156 1.00 0.00 S ATOM 1933 CE MET A 122 -15.938 5.377 -3.529 1.00 0.00 C ATOM 0 H MET A 122 -11.395 3.244 -3.793 1.00 0.00 H new ATOM 0 HA MET A 122 -12.615 5.879 -4.391 1.00 0.00 H new ATOM 0 HB2 MET A 122 -12.227 4.425 -1.863 1.00 0.00 H new ATOM 0 HB3 MET A 122 -11.530 6.032 -1.840 1.00 0.00 H new ATOM 0 HG2 MET A 122 -13.670 6.492 -1.117 1.00 0.00 H new ATOM 0 HG3 MET A 122 -13.849 6.772 -2.838 1.00 0.00 H new ATOM 0 HE1 MET A 122 -16.517 4.559 -3.958 1.00 0.00 H new ATOM 0 HE2 MET A 122 -16.615 6.155 -3.177 1.00 0.00 H new ATOM 0 HE3 MET A 122 -15.275 5.790 -4.289 1.00 0.00 H new ATOM 1943 N MET A 123 -9.530 5.162 -3.410 1.00 0.00 N ATOM 1944 CA MET A 123 -8.135 5.558 -3.572 1.00 0.00 C ATOM 1945 C MET A 123 -7.995 7.069 -3.450 1.00 0.00 C ATOM 1946 O MET A 123 -7.418 7.728 -4.314 1.00 0.00 O ATOM 1947 CB MET A 123 -7.606 5.072 -4.925 1.00 0.00 C ATOM 1948 CG MET A 123 -6.963 3.697 -4.863 1.00 0.00 C ATOM 1949 SD MET A 123 -6.144 3.237 -6.403 1.00 0.00 S ATOM 1950 CE MET A 123 -5.634 1.562 -6.025 1.00 0.00 C ATOM 0 H MET A 123 -9.678 4.385 -2.766 1.00 0.00 H new ATOM 0 HA MET A 123 -7.543 5.097 -2.782 1.00 0.00 H new ATOM 0 HB2 MET A 123 -8.428 5.049 -5.641 1.00 0.00 H new ATOM 0 HB3 MET A 123 -6.876 5.790 -5.300 1.00 0.00 H new ATOM 0 HG2 MET A 123 -6.236 3.677 -4.051 1.00 0.00 H new ATOM 0 HG3 MET A 123 -7.726 2.955 -4.627 1.00 0.00 H new ATOM 0 HE1 MET A 123 -4.667 1.363 -6.488 1.00 0.00 H new ATOM 0 HE2 MET A 123 -5.551 1.442 -4.945 1.00 0.00 H new ATOM 0 HE3 MET A 123 -6.373 0.861 -6.412 1.00 0.00 H new ATOM 1960 N GLU A 124 -8.541 7.607 -2.364 1.00 0.00 N ATOM 1961 CA GLU A 124 -8.493 9.041 -2.115 1.00 0.00 C ATOM 1962 C GLU A 124 -8.126 9.322 -0.666 1.00 0.00 C ATOM 1963 O GLU A 124 -8.218 8.440 0.188 1.00 0.00 O ATOM 1964 CB GLU A 124 -9.842 9.681 -2.447 1.00 0.00 C ATOM 1965 CG GLU A 124 -9.748 11.161 -2.782 1.00 0.00 C ATOM 1966 CD GLU A 124 -10.484 12.036 -1.787 1.00 0.00 C ATOM 1967 OE1 GLU A 124 -11.726 12.121 -1.876 1.00 0.00 O ATOM 1968 OE2 GLU A 124 -9.816 12.635 -0.917 1.00 0.00 O ATOM 0 H GLU A 124 -9.022 7.070 -1.643 1.00 0.00 H new ATOM 0 HA GLU A 124 -7.727 9.475 -2.757 1.00 0.00 H new ATOM 0 HB2 GLU A 124 -10.287 9.154 -3.291 1.00 0.00 H new ATOM 0 HB3 GLU A 124 -10.515 9.551 -1.599 1.00 0.00 H new ATOM 0 HG2 GLU A 124 -8.699 11.456 -2.812 1.00 0.00 H new ATOM 0 HG3 GLU A 124 -10.156 11.330 -3.779 1.00 0.00 H new ATOM 1975 N ILE A 125 -7.706 10.550 -0.391 1.00 0.00 N ATOM 1976 CA ILE A 125 -7.322 10.931 0.962 1.00 0.00 C ATOM 1977 C ILE A 125 -8.227 12.024 1.515 1.00 0.00 C ATOM 1978 O ILE A 125 -8.288 13.128 0.975 1.00 0.00 O ATOM 1979 CB ILE A 125 -5.856 11.416 1.041 1.00 0.00 C ATOM 1980 CG1 ILE A 125 -5.255 11.586 -0.359 1.00 0.00 C ATOM 1981 CG2 ILE A 125 -5.024 10.449 1.868 1.00 0.00 C ATOM 1982 CD1 ILE A 125 -3.830 12.097 -0.347 1.00 0.00 C ATOM 0 H ILE A 125 -7.623 11.295 -1.082 1.00 0.00 H new ATOM 0 HA ILE A 125 -7.428 10.029 1.565 1.00 0.00 H new ATOM 0 HB ILE A 125 -5.846 12.390 1.529 1.00 0.00 H new ATOM 0 HG12 ILE A 125 -5.284 10.627 -0.877 1.00 0.00 H new ATOM 0 HG13 ILE A 125 -5.875 12.276 -0.931 1.00 0.00 H new ATOM 0 HG21 ILE A 125 -3.994 10.803 1.915 1.00 0.00 H new ATOM 0 HG22 ILE A 125 -5.433 10.388 2.876 1.00 0.00 H new ATOM 0 HG23 ILE A 125 -5.047 9.462 1.406 1.00 0.00 H new ATOM 0 HD11 ILE A 125 -3.469 12.193 -1.371 1.00 0.00 H new ATOM 0 HD12 ILE A 125 -3.797 13.070 0.142 1.00 0.00 H new ATOM 0 HD13 ILE A 125 -3.197 11.396 0.196 1.00 0.00 H new ATOM 1994 N LEU A 126 -8.912 11.712 2.608 1.00 0.00 N ATOM 1995 CA LEU A 126 -9.798 12.675 3.254 1.00 0.00 C ATOM 1996 C LEU A 126 -9.130 13.231 4.506 1.00 0.00 C ATOM 1997 O LEU A 126 -8.519 12.487 5.272 1.00 0.00 O ATOM 1998 CB LEU A 126 -11.131 12.018 3.615 1.00 0.00 C ATOM 1999 CG LEU A 126 -11.030 10.818 4.557 1.00 0.00 C ATOM 2000 CD1 LEU A 126 -12.251 10.745 5.460 1.00 0.00 C ATOM 2001 CD2 LEU A 126 -10.873 9.529 3.763 1.00 0.00 C ATOM 0 H LEU A 126 -8.872 10.801 3.066 1.00 0.00 H new ATOM 0 HA LEU A 126 -9.994 13.493 2.560 1.00 0.00 H new ATOM 0 HB2 LEU A 126 -11.775 12.768 4.075 1.00 0.00 H new ATOM 0 HB3 LEU A 126 -11.621 11.698 2.696 1.00 0.00 H new ATOM 0 HG LEU A 126 -10.147 10.945 5.184 1.00 0.00 H new ATOM 0 HD11 LEU A 126 -12.162 9.885 6.124 1.00 0.00 H new ATOM 0 HD12 LEU A 126 -12.319 11.656 6.054 1.00 0.00 H new ATOM 0 HD13 LEU A 126 -13.149 10.641 4.850 1.00 0.00 H new ATOM 0 HD21 LEU A 126 -10.803 8.685 4.449 1.00 0.00 H new ATOM 0 HD22 LEU A 126 -11.736 9.396 3.111 1.00 0.00 H new ATOM 0 HD23 LEU A 126 -9.967 9.582 3.159 1.00 0.00 H new ATOM 2013 N ASP A 127 -9.228 14.542 4.704 1.00 0.00 N ATOM 2014 CA ASP A 127 -8.605 15.174 5.862 1.00 0.00 C ATOM 2015 C ASP A 127 -9.608 15.411 6.987 1.00 0.00 C ATOM 2016 O ASP A 127 -10.614 16.098 6.807 1.00 0.00 O ATOM 2017 CB ASP A 127 -7.960 16.500 5.455 1.00 0.00 C ATOM 2018 CG ASP A 127 -6.617 16.718 6.122 1.00 0.00 C ATOM 2019 OD1 ASP A 127 -6.595 16.954 7.349 1.00 0.00 O ATOM 2020 OD2 ASP A 127 -5.587 16.654 5.419 1.00 0.00 O ATOM 0 H ASP A 127 -9.727 15.181 4.085 1.00 0.00 H new ATOM 0 HA ASP A 127 -7.839 14.494 6.235 1.00 0.00 H new ATOM 0 HB2 ASP A 127 -7.833 16.522 4.373 1.00 0.00 H new ATOM 0 HB3 ASP A 127 -8.629 17.321 5.714 1.00 0.00 H new ATOM 2025 N GLU A 128 -9.308 14.848 8.154 1.00 0.00 N ATOM 2026 CA GLU A 128 -10.159 15.002 9.329 1.00 0.00 C ATOM 2027 C GLU A 128 -9.356 15.560 10.500 1.00 0.00 C ATOM 2028 O GLU A 128 -8.389 14.943 10.945 1.00 0.00 O ATOM 2029 CB GLU A 128 -10.782 13.659 9.714 1.00 0.00 C ATOM 2030 CG GLU A 128 -12.065 13.792 10.518 1.00 0.00 C ATOM 2031 CD GLU A 128 -12.259 12.650 11.496 1.00 0.00 C ATOM 2032 OE1 GLU A 128 -11.409 12.487 12.396 1.00 0.00 O ATOM 2033 OE2 GLU A 128 -13.262 11.918 11.362 1.00 0.00 O ATOM 0 H GLU A 128 -8.477 14.278 8.311 1.00 0.00 H new ATOM 0 HA GLU A 128 -10.957 15.704 9.086 1.00 0.00 H new ATOM 0 HB2 GLU A 128 -10.989 13.090 8.807 1.00 0.00 H new ATOM 0 HB3 GLU A 128 -10.058 13.085 10.292 1.00 0.00 H new ATOM 0 HG2 GLU A 128 -12.051 14.735 11.064 1.00 0.00 H new ATOM 0 HG3 GLU A 128 -12.915 13.830 9.836 1.00 0.00 H new ATOM 2040 N ASP A 129 -9.755 16.725 11.002 1.00 0.00 N ATOM 2041 CA ASP A 129 -9.054 17.341 12.127 1.00 0.00 C ATOM 2042 C ASP A 129 -7.590 17.595 11.783 1.00 0.00 C ATOM 2043 O ASP A 129 -6.742 17.697 12.669 1.00 0.00 O ATOM 2044 CB ASP A 129 -9.131 16.431 13.345 1.00 0.00 C ATOM 2045 CG ASP A 129 -9.146 17.203 14.650 1.00 0.00 C ATOM 2046 OD1 ASP A 129 -10.167 17.861 14.940 1.00 0.00 O ATOM 2047 OD2 ASP A 129 -8.135 17.150 15.383 1.00 0.00 O ATOM 0 H ASP A 129 -10.552 17.258 10.653 1.00 0.00 H new ATOM 0 HA ASP A 129 -9.535 18.295 12.345 1.00 0.00 H new ATOM 0 HB2 ASP A 129 -10.030 15.818 13.280 1.00 0.00 H new ATOM 0 HB3 ASP A 129 -8.280 15.750 13.340 1.00 0.00 H new ATOM 2052 N GLY A 130 -7.303 17.672 10.495 1.00 0.00 N ATOM 2053 CA GLY A 130 -5.940 17.886 10.047 1.00 0.00 C ATOM 2054 C GLY A 130 -5.208 16.579 9.805 1.00 0.00 C ATOM 2055 O GLY A 130 -4.037 16.573 9.426 1.00 0.00 O ATOM 0 H GLY A 130 -7.991 17.590 9.746 1.00 0.00 H new ATOM 0 HA2 GLY A 130 -5.949 18.472 9.128 1.00 0.00 H new ATOM 0 HA3 GLY A 130 -5.401 18.470 10.793 1.00 0.00 H new ATOM 2059 N LEU A 131 -5.909 15.467 10.017 1.00 0.00 N ATOM 2060 CA LEU A 131 -5.340 14.142 9.815 1.00 0.00 C ATOM 2061 C LEU A 131 -5.790 13.578 8.472 1.00 0.00 C ATOM 2062 O LEU A 131 -6.910 13.832 8.033 1.00 0.00 O ATOM 2063 CB LEU A 131 -5.770 13.207 10.948 1.00 0.00 C ATOM 2064 CG LEU A 131 -4.703 12.950 12.014 1.00 0.00 C ATOM 2065 CD1 LEU A 131 -5.233 13.293 13.399 1.00 0.00 C ATOM 2066 CD2 LEU A 131 -4.239 11.503 11.962 1.00 0.00 C ATOM 0 H LEU A 131 -6.879 15.461 10.331 1.00 0.00 H new ATOM 0 HA LEU A 131 -4.253 14.222 9.817 1.00 0.00 H new ATOM 0 HB2 LEU A 131 -6.651 13.628 11.432 1.00 0.00 H new ATOM 0 HB3 LEU A 131 -6.069 12.252 10.517 1.00 0.00 H new ATOM 0 HG LEU A 131 -3.848 13.594 11.807 1.00 0.00 H new ATOM 0 HD11 LEU A 131 -4.459 13.103 14.142 1.00 0.00 H new ATOM 0 HD12 LEU A 131 -5.516 14.345 13.430 1.00 0.00 H new ATOM 0 HD13 LEU A 131 -6.105 12.677 13.618 1.00 0.00 H new ATOM 0 HD21 LEU A 131 -3.480 11.337 12.726 1.00 0.00 H new ATOM 0 HD22 LEU A 131 -5.087 10.842 12.143 1.00 0.00 H new ATOM 0 HD23 LEU A 131 -3.817 11.291 10.980 1.00 0.00 H new ATOM 2078 N ILE A 132 -4.917 12.821 7.818 1.00 0.00 N ATOM 2079 CA ILE A 132 -5.247 12.242 6.522 1.00 0.00 C ATOM 2080 C ILE A 132 -5.635 10.780 6.640 1.00 0.00 C ATOM 2081 O ILE A 132 -5.042 10.025 7.408 1.00 0.00 O ATOM 2082 CB ILE A 132 -4.076 12.324 5.524 1.00 0.00 C ATOM 2083 CG1 ILE A 132 -2.725 12.195 6.244 1.00 0.00 C ATOM 2084 CG2 ILE A 132 -4.154 13.611 4.714 1.00 0.00 C ATOM 2085 CD1 ILE A 132 -2.144 13.509 6.733 1.00 0.00 C ATOM 0 H ILE A 132 -3.983 12.595 8.160 1.00 0.00 H new ATOM 0 HA ILE A 132 -6.087 12.832 6.155 1.00 0.00 H new ATOM 0 HB ILE A 132 -4.157 11.486 4.832 1.00 0.00 H new ATOM 0 HG12 ILE A 132 -2.844 11.526 7.096 1.00 0.00 H new ATOM 0 HG13 ILE A 132 -2.011 11.726 5.568 1.00 0.00 H new ATOM 0 HG21 ILE A 132 -3.319 13.652 4.014 1.00 0.00 H new ATOM 0 HG22 ILE A 132 -5.093 13.636 4.161 1.00 0.00 H new ATOM 0 HG23 ILE A 132 -4.106 14.468 5.386 1.00 0.00 H new ATOM 0 HD11 ILE A 132 -1.191 13.323 7.229 1.00 0.00 H new ATOM 0 HD12 ILE A 132 -1.988 14.176 5.885 1.00 0.00 H new ATOM 0 HD13 ILE A 132 -2.835 13.973 7.437 1.00 0.00 H new ATOM 2097 N LYS A 133 -6.616 10.379 5.842 1.00 0.00 N ATOM 2098 CA LYS A 133 -7.060 8.999 5.822 1.00 0.00 C ATOM 2099 C LYS A 133 -7.208 8.520 4.377 1.00 0.00 C ATOM 2100 O LYS A 133 -7.713 9.248 3.525 1.00 0.00 O ATOM 2101 CB LYS A 133 -8.390 8.853 6.564 1.00 0.00 C ATOM 2102 CG LYS A 133 -8.254 8.927 8.077 1.00 0.00 C ATOM 2103 CD LYS A 133 -8.782 10.243 8.622 1.00 0.00 C ATOM 2104 CE LYS A 133 -10.302 10.287 8.598 1.00 0.00 C ATOM 2105 NZ LYS A 133 -10.885 10.061 9.949 1.00 0.00 N ATOM 0 H LYS A 133 -7.117 10.994 5.201 1.00 0.00 H new ATOM 0 HA LYS A 133 -6.314 8.385 6.326 1.00 0.00 H new ATOM 0 HB2 LYS A 133 -9.071 9.636 6.230 1.00 0.00 H new ATOM 0 HB3 LYS A 133 -8.844 7.899 6.295 1.00 0.00 H new ATOM 0 HG2 LYS A 133 -8.798 8.099 8.533 1.00 0.00 H new ATOM 0 HG3 LYS A 133 -7.206 8.812 8.355 1.00 0.00 H new ATOM 0 HD2 LYS A 133 -8.429 10.382 9.644 1.00 0.00 H new ATOM 0 HD3 LYS A 133 -8.384 11.068 8.032 1.00 0.00 H new ATOM 0 HE2 LYS A 133 -10.631 11.254 8.218 1.00 0.00 H new ATOM 0 HE3 LYS A 133 -10.676 9.529 7.910 1.00 0.00 H new ATOM 0 HZ1 LYS A 133 -11.805 10.541 10.015 1.00 0.00 H new ATOM 0 HZ2 LYS A 133 -11.015 9.041 10.105 1.00 0.00 H new ATOM 0 HZ3 LYS A 133 -10.243 10.443 10.673 1.00 0.00 H new ATOM 2119 N ALA A 134 -6.758 7.302 4.111 1.00 0.00 N ATOM 2120 CA ALA A 134 -6.826 6.722 2.765 1.00 0.00 C ATOM 2121 C ALA A 134 -7.847 5.580 2.694 1.00 0.00 C ATOM 2122 O ALA A 134 -7.931 4.765 3.613 1.00 0.00 O ATOM 2123 CB ALA A 134 -5.446 6.227 2.369 1.00 0.00 C ATOM 0 H ALA A 134 -6.339 6.688 4.810 1.00 0.00 H new ATOM 0 HA ALA A 134 -7.156 7.493 2.068 1.00 0.00 H new ATOM 0 HB1 ALA A 134 -5.488 5.794 1.369 1.00 0.00 H new ATOM 0 HB2 ALA A 134 -4.745 7.061 2.374 1.00 0.00 H new ATOM 0 HB3 ALA A 134 -5.114 5.469 3.079 1.00 0.00 H new ATOM 2129 N ARG A 135 -8.641 5.526 1.613 1.00 0.00 N ATOM 2130 CA ARG A 135 -9.660 4.471 1.484 1.00 0.00 C ATOM 2131 C ARG A 135 -9.811 3.885 0.079 1.00 0.00 C ATOM 2132 O ARG A 135 -10.167 4.590 -0.863 1.00 0.00 O ATOM 2133 CB ARG A 135 -11.030 4.980 1.929 1.00 0.00 C ATOM 2134 CG ARG A 135 -11.183 6.493 1.873 1.00 0.00 C ATOM 2135 CD ARG A 135 -12.322 6.909 0.956 1.00 0.00 C ATOM 2136 NE ARG A 135 -13.279 7.783 1.632 1.00 0.00 N ATOM 2137 CZ ARG A 135 -14.230 7.345 2.453 1.00 0.00 C ATOM 2138 NH1 ARG A 135 -14.355 6.048 2.705 1.00 0.00 N ATOM 2139 NH2 ARG A 135 -15.061 8.207 3.025 1.00 0.00 N ATOM 0 H ARG A 135 -8.601 6.182 0.833 1.00 0.00 H new ATOM 0 HA ARG A 135 -9.296 3.672 2.130 1.00 0.00 H new ATOM 0 HB2 ARG A 135 -11.796 4.525 1.300 1.00 0.00 H new ATOM 0 HB3 ARG A 135 -11.215 4.645 2.950 1.00 0.00 H new ATOM 0 HG2 ARG A 135 -11.365 6.878 2.877 1.00 0.00 H new ATOM 0 HG3 ARG A 135 -10.252 6.940 1.524 1.00 0.00 H new ATOM 0 HD2 ARG A 135 -11.916 7.422 0.084 1.00 0.00 H new ATOM 0 HD3 ARG A 135 -12.837 6.020 0.592 1.00 0.00 H new ATOM 0 HE ARG A 135 -13.214 8.787 1.465 1.00 0.00 H new ATOM 0 HH11 ARG A 135 -13.720 5.380 2.268 1.00 0.00 H new ATOM 0 HH12 ARG A 135 -15.086 5.719 3.335 1.00 0.00 H new ATOM 0 HH21 ARG A 135 -14.971 9.205 2.835 1.00 0.00 H new ATOM 0 HH22 ARG A 135 -15.790 7.871 3.654 1.00 0.00 H new ATOM 2153 N VAL A 136 -9.615 2.567 -0.032 1.00 0.00 N ATOM 2154 CA VAL A 136 -9.814 1.863 -1.299 1.00 0.00 C ATOM 2155 C VAL A 136 -10.692 0.627 -1.091 1.00 0.00 C ATOM 2156 O VAL A 136 -10.266 -0.316 -0.429 1.00 0.00 O ATOM 2157 CB VAL A 136 -8.476 1.411 -1.915 1.00 0.00 C ATOM 2158 CG1 VAL A 136 -8.697 0.643 -3.212 1.00 0.00 C ATOM 2159 CG2 VAL A 136 -7.582 2.604 -2.158 1.00 0.00 C ATOM 0 H VAL A 136 -9.319 1.969 0.740 1.00 0.00 H new ATOM 0 HA VAL A 136 -10.300 2.563 -1.979 1.00 0.00 H new ATOM 0 HB VAL A 136 -7.988 0.741 -1.207 1.00 0.00 H new ATOM 0 HG11 VAL A 136 -7.735 0.338 -3.622 1.00 0.00 H new ATOM 0 HG12 VAL A 136 -9.303 -0.241 -3.013 1.00 0.00 H new ATOM 0 HG13 VAL A 136 -9.211 1.282 -3.930 1.00 0.00 H new ATOM 0 HG21 VAL A 136 -6.640 2.270 -2.593 1.00 0.00 H new ATOM 0 HG22 VAL A 136 -8.074 3.294 -2.843 1.00 0.00 H new ATOM 0 HG23 VAL A 136 -7.386 3.110 -1.213 1.00 0.00 H new ATOM 2169 N ILE A 137 -11.889 0.605 -1.685 1.00 0.00 N ATOM 2170 CA ILE A 137 -12.775 -0.554 -1.562 1.00 0.00 C ATOM 2171 C ILE A 137 -12.391 -1.625 -2.565 1.00 0.00 C ATOM 2172 O ILE A 137 -12.142 -1.343 -3.733 1.00 0.00 O ATOM 2173 CB ILE A 137 -14.270 -0.194 -1.717 1.00 0.00 C ATOM 2174 CG1 ILE A 137 -14.731 0.663 -0.541 1.00 0.00 C ATOM 2175 CG2 ILE A 137 -15.124 -1.452 -1.815 1.00 0.00 C ATOM 2176 CD1 ILE A 137 -14.061 2.017 -0.476 1.00 0.00 C ATOM 0 H ILE A 137 -12.263 1.368 -2.250 1.00 0.00 H new ATOM 0 HA ILE A 137 -12.645 -0.935 -0.549 1.00 0.00 H new ATOM 0 HB ILE A 137 -14.390 0.375 -2.639 1.00 0.00 H new ATOM 0 HG12 ILE A 137 -15.810 0.804 -0.607 1.00 0.00 H new ATOM 0 HG13 ILE A 137 -14.536 0.126 0.387 1.00 0.00 H new ATOM 0 HG21 ILE A 137 -16.172 -1.173 -1.923 1.00 0.00 H new ATOM 0 HG22 ILE A 137 -14.813 -2.037 -2.681 1.00 0.00 H new ATOM 0 HG23 ILE A 137 -14.999 -2.048 -0.911 1.00 0.00 H new ATOM 0 HD11 ILE A 137 -14.439 2.569 0.385 1.00 0.00 H new ATOM 0 HD12 ILE A 137 -12.983 1.885 -0.378 1.00 0.00 H new ATOM 0 HD13 ILE A 137 -14.277 2.574 -1.388 1.00 0.00 H new ATOM 2188 N LEU A 138 -12.309 -2.851 -2.080 1.00 0.00 N ATOM 2189 CA LEU A 138 -11.905 -3.980 -2.906 1.00 0.00 C ATOM 2190 C LEU A 138 -12.925 -5.098 -2.879 1.00 0.00 C ATOM 2191 O LEU A 138 -13.659 -5.270 -1.905 1.00 0.00 O ATOM 2192 CB LEU A 138 -10.545 -4.496 -2.453 1.00 0.00 C ATOM 2193 CG LEU A 138 -9.617 -3.418 -1.901 1.00 0.00 C ATOM 2194 CD1 LEU A 138 -8.225 -3.985 -1.670 1.00 0.00 C ATOM 2195 CD2 LEU A 138 -9.566 -2.219 -2.850 1.00 0.00 C ATOM 0 H LEU A 138 -12.518 -3.093 -1.112 1.00 0.00 H new ATOM 0 HA LEU A 138 -11.837 -3.628 -3.935 1.00 0.00 H new ATOM 0 HB2 LEU A 138 -10.695 -5.257 -1.687 1.00 0.00 H new ATOM 0 HB3 LEU A 138 -10.055 -4.984 -3.296 1.00 0.00 H new ATOM 0 HG LEU A 138 -10.010 -3.077 -0.943 1.00 0.00 H new ATOM 0 HD11 LEU A 138 -7.575 -3.204 -1.276 1.00 0.00 H new ATOM 0 HD12 LEU A 138 -8.280 -4.806 -0.955 1.00 0.00 H new ATOM 0 HD13 LEU A 138 -7.821 -4.352 -2.613 1.00 0.00 H new ATOM 0 HD21 LEU A 138 -8.900 -1.459 -2.441 1.00 0.00 H new ATOM 0 HD22 LEU A 138 -9.196 -2.541 -3.823 1.00 0.00 H new ATOM 0 HD23 LEU A 138 -10.566 -1.801 -2.963 1.00 0.00 H new ATOM 2207 N ASP A 139 -12.965 -5.851 -3.963 1.00 0.00 N ATOM 2208 CA ASP A 139 -13.898 -6.958 -4.084 1.00 0.00 C ATOM 2209 C ASP A 139 -13.328 -8.207 -3.414 1.00 0.00 C ATOM 2210 O ASP A 139 -12.334 -8.768 -3.871 1.00 0.00 O ATOM 2211 CB ASP A 139 -14.197 -7.241 -5.558 1.00 0.00 C ATOM 2212 CG ASP A 139 -15.664 -7.058 -5.896 1.00 0.00 C ATOM 2213 OD1 ASP A 139 -16.195 -5.953 -5.657 1.00 0.00 O ATOM 2214 OD2 ASP A 139 -16.282 -8.019 -6.401 1.00 0.00 O ATOM 0 H ASP A 139 -12.361 -5.716 -4.774 1.00 0.00 H new ATOM 0 HA ASP A 139 -14.827 -6.685 -3.584 1.00 0.00 H new ATOM 0 HB2 ASP A 139 -13.598 -6.577 -6.181 1.00 0.00 H new ATOM 0 HB3 ASP A 139 -13.896 -8.261 -5.798 1.00 0.00 H new ATOM 2219 N LEU A 140 -13.964 -8.624 -2.318 1.00 0.00 N ATOM 2220 CA LEU A 140 -13.523 -9.802 -1.559 1.00 0.00 C ATOM 2221 C LEU A 140 -13.072 -10.927 -2.489 1.00 0.00 C ATOM 2222 O LEU A 140 -13.522 -10.947 -3.654 1.00 0.00 O ATOM 2223 CB LEU A 140 -14.636 -10.320 -0.636 1.00 0.00 C ATOM 2224 CG LEU A 140 -15.717 -9.307 -0.251 1.00 0.00 C ATOM 2225 CD1 LEU A 140 -16.793 -9.241 -1.323 1.00 0.00 C ATOM 2226 CD2 LEU A 140 -16.325 -9.674 1.092 1.00 0.00 C ATOM 2227 OXT LEU A 140 -12.275 -11.778 -2.044 1.00 0.00 O ATOM 0 H LEU A 140 -14.789 -8.164 -1.933 1.00 0.00 H new ATOM 0 HA LEU A 140 -12.676 -9.486 -0.950 1.00 0.00 H new ATOM 0 HB2 LEU A 140 -15.118 -11.168 -1.122 1.00 0.00 H new ATOM 0 HB3 LEU A 140 -14.177 -10.696 0.278 1.00 0.00 H new ATOM 0 HG LEU A 140 -15.257 -8.322 -0.168 1.00 0.00 H new ATOM 0 HD11 LEU A 140 -17.553 -8.516 -1.032 1.00 0.00 H new ATOM 0 HD12 LEU A 140 -16.346 -8.938 -2.269 1.00 0.00 H new ATOM 0 HD13 LEU A 140 -17.253 -10.222 -1.437 1.00 0.00 H new ATOM 0 HD21 LEU A 140 -17.093 -8.946 1.355 1.00 0.00 H new ATOM 0 HD22 LEU A 140 -16.772 -10.666 1.030 1.00 0.00 H new ATOM 0 HD23 LEU A 140 -15.547 -9.673 1.856 1.00 0.00 H new