USER MOD reduce.3.24.130724 H: found=0, std=0, add=456, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 455 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 10 THR OG1 : rot -100:sc= -0.433 USER MOD Single : A 11 LYS NZ :NH3+ 159:sc= -0.0372 (180deg=-0.33) USER MOD Single : A 12 LYS NZ :NH3+ -152:sc= 0 (180deg=-0.0219) USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 17 LYS NZ :NH3+ 165:sc= -5.07! (180deg=-5.35!) USER MOD Single : A 19 LYS NZ :NH3+ 157:sc= -0.225 (180deg=-1.3!) USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 THR OG1 : rot 105:sc= 0.801 USER MOD Single : A 28 ASN :FLIP amide:sc= -6.03! C(o=-7.8!,f=-6!) USER MOD Single : A 29 THR OG1 : rot -47:sc= -0.707 USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 31 CYS SG : rot 180:sc= -0.606 USER MOD Single : A 39 CYS SG : rot 148:sc= -5.42! USER MOD Single : A 44 HIS : no HD1:sc= -0.011 X(o=-0.011,f=-0.015) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 HIS : no HE2:sc= -0.532 K(o=-0.53,f=-2.7!) USER MOD Single : A 54 LYS NZ :NH3+ 160:sc= 0 (180deg=-0.34) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 56 LYS NZ :NH3+ 150:sc= -0.156 (180deg=-0.871) USER MOD Single : A 57 ASN : amide:sc=-0.00275 X(o=-0.0028,f=-0.29) USER MOD Single : A 58 LYS NZ :NH3+ -160:sc= -2.04! (180deg=-2.9!) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 9 15.790 11.448 8.675 1.00 0.00 N ATOM 2 CA GLY A 9 14.882 10.940 7.654 1.00 0.00 C ATOM 3 C GLY A 9 13.699 10.216 8.288 1.00 0.00 C ATOM 4 O GLY A 9 13.588 10.142 9.510 1.00 0.00 O ATOM 0 HA2 GLY A 9 14.522 11.765 7.040 1.00 0.00 H new ATOM 0 HA3 GLY A 9 15.417 10.260 6.992 1.00 0.00 H new ATOM 8 N THR A 10 12.818 9.684 7.447 1.00 0.00 N ATOM 9 CA THR A 10 11.646 8.968 7.936 1.00 0.00 C ATOM 10 C THR A 10 12.057 7.661 8.607 1.00 0.00 C ATOM 11 O THR A 10 13.236 7.312 8.636 1.00 0.00 O ATOM 12 CB THR A 10 10.693 8.671 6.776 1.00 0.00 C ATOM 13 OG1 THR A 10 9.589 7.914 7.255 1.00 0.00 O ATOM 14 CG2 THR A 10 11.429 7.877 5.698 1.00 0.00 C ATOM 0 H THR A 10 12.892 9.734 6.431 1.00 0.00 H new ATOM 0 HA THR A 10 11.140 9.596 8.669 1.00 0.00 H new ATOM 0 HB THR A 10 10.335 9.608 6.351 1.00 0.00 H new ATOM 0 HG1 THR A 10 9.724 6.967 7.041 1.00 0.00 H new ATOM 0 HG21 THR A 10 10.749 7.666 4.873 1.00 0.00 H new ATOM 0 HG22 THR A 10 12.275 8.459 5.331 1.00 0.00 H new ATOM 0 HG23 THR A 10 11.789 6.939 6.120 1.00 0.00 H new ATOM 22 N LYS A 11 11.076 6.943 9.144 1.00 0.00 N ATOM 23 CA LYS A 11 11.350 5.676 9.814 1.00 0.00 C ATOM 24 C LYS A 11 11.972 4.679 8.843 1.00 0.00 C ATOM 25 O LYS A 11 12.761 5.051 7.975 1.00 0.00 O ATOM 26 CB LYS A 11 10.053 5.096 10.383 1.00 0.00 C ATOM 27 CG LYS A 11 9.251 6.206 11.062 1.00 0.00 C ATOM 28 CD LYS A 11 8.127 5.587 11.897 1.00 0.00 C ATOM 29 CE LYS A 11 7.129 6.676 12.296 1.00 0.00 C ATOM 30 NZ LYS A 11 6.313 7.061 11.110 1.00 0.00 N ATOM 0 H LYS A 11 10.093 7.213 9.129 1.00 0.00 H new ATOM 0 HA LYS A 11 12.053 5.861 10.626 1.00 0.00 H new ATOM 0 HB2 LYS A 11 9.464 4.644 9.585 1.00 0.00 H new ATOM 0 HB3 LYS A 11 10.279 4.306 11.099 1.00 0.00 H new ATOM 0 HG2 LYS A 11 9.904 6.804 11.698 1.00 0.00 H new ATOM 0 HG3 LYS A 11 8.834 6.878 10.312 1.00 0.00 H new ATOM 0 HD2 LYS A 11 7.622 4.808 11.326 1.00 0.00 H new ATOM 0 HD3 LYS A 11 8.540 5.113 12.788 1.00 0.00 H new ATOM 0 HE2 LYS A 11 6.481 6.315 13.095 1.00 0.00 H new ATOM 0 HE3 LYS A 11 7.659 7.546 12.684 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 5.431 7.511 11.427 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 6.850 7.729 10.521 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 6.088 6.212 10.553 1.00 0.00 H new ATOM 44 N LYS A 12 11.612 3.408 8.997 1.00 0.00 N ATOM 45 CA LYS A 12 12.141 2.362 8.130 1.00 0.00 C ATOM 46 C LYS A 12 11.617 2.527 6.708 1.00 0.00 C ATOM 47 O LYS A 12 12.389 2.727 5.770 1.00 0.00 O ATOM 48 CB LYS A 12 11.739 0.986 8.665 1.00 0.00 C ATOM 49 CG LYS A 12 12.185 0.851 10.123 1.00 0.00 C ATOM 50 CD LYS A 12 12.171 -0.627 10.536 1.00 0.00 C ATOM 51 CE LYS A 12 13.515 -1.277 10.192 1.00 0.00 C ATOM 52 NZ LYS A 12 14.518 -0.925 11.236 1.00 0.00 N ATOM 0 H LYS A 12 10.960 3.080 9.710 1.00 0.00 H new ATOM 0 HA LYS A 12 13.228 2.445 8.117 1.00 0.00 H new ATOM 0 HB2 LYS A 12 10.659 0.857 8.591 1.00 0.00 H new ATOM 0 HB3 LYS A 12 12.195 0.202 8.061 1.00 0.00 H new ATOM 0 HG2 LYS A 12 13.187 1.263 10.246 1.00 0.00 H new ATOM 0 HG3 LYS A 12 11.522 1.425 10.770 1.00 0.00 H new ATOM 0 HD2 LYS A 12 11.979 -0.713 11.605 1.00 0.00 H new ATOM 0 HD3 LYS A 12 11.363 -1.149 10.024 1.00 0.00 H new ATOM 0 HE2 LYS A 12 13.403 -2.359 10.131 1.00 0.00 H new ATOM 0 HE3 LYS A 12 13.857 -0.936 9.215 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 15.470 -0.931 10.818 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 14.310 0.022 11.612 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 14.474 -1.621 12.008 1.00 0.00 H new ATOM 66 N TYR A 13 10.298 2.440 6.555 1.00 0.00 N ATOM 67 CA TYR A 13 9.672 2.578 5.243 1.00 0.00 C ATOM 68 C TYR A 13 8.568 3.631 5.286 1.00 0.00 C ATOM 69 O TYR A 13 7.998 3.906 6.342 1.00 0.00 O ATOM 70 CB TYR A 13 9.085 1.232 4.800 1.00 0.00 C ATOM 71 CG TYR A 13 10.132 0.443 4.049 1.00 0.00 C ATOM 72 CD1 TYR A 13 11.248 -0.065 4.728 1.00 0.00 C ATOM 73 CD2 TYR A 13 9.991 0.224 2.675 1.00 0.00 C ATOM 74 CE1 TYR A 13 12.220 -0.792 4.029 1.00 0.00 C ATOM 75 CE2 TYR A 13 10.961 -0.503 1.979 1.00 0.00 C ATOM 76 CZ TYR A 13 12.077 -1.011 2.655 1.00 0.00 C ATOM 77 OH TYR A 13 13.035 -1.727 1.966 1.00 0.00 O ATOM 0 H TYR A 13 9.644 2.275 7.320 1.00 0.00 H new ATOM 0 HA TYR A 13 10.431 2.894 4.528 1.00 0.00 H new ATOM 0 HB2 TYR A 13 8.745 0.669 5.669 1.00 0.00 H new ATOM 0 HB3 TYR A 13 8.214 1.395 4.165 1.00 0.00 H new ATOM 0 HD1 TYR A 13 11.358 0.104 5.789 1.00 0.00 H new ATOM 0 HD2 TYR A 13 9.132 0.617 2.151 1.00 0.00 H new ATOM 0 HE1 TYR A 13 13.080 -1.184 4.551 1.00 0.00 H new ATOM 0 HE2 TYR A 13 10.850 -0.673 0.918 1.00 0.00 H new ATOM 0 HH TYR A 13 12.782 -1.788 1.021 1.00 0.00 H new ATOM 87 N ASP A 14 8.273 4.209 4.128 1.00 0.00 N ATOM 88 CA ASP A 14 7.235 5.228 4.032 1.00 0.00 C ATOM 89 C ASP A 14 6.650 5.254 2.624 1.00 0.00 C ATOM 90 O ASP A 14 7.314 5.671 1.675 1.00 0.00 O ATOM 91 CB ASP A 14 7.816 6.603 4.371 1.00 0.00 C ATOM 92 CG ASP A 14 6.721 7.663 4.313 1.00 0.00 C ATOM 93 OD1 ASP A 14 5.646 7.350 3.826 1.00 0.00 O ATOM 94 OD2 ASP A 14 6.973 8.771 4.755 1.00 0.00 O ATOM 0 H ASP A 14 8.736 3.991 3.246 1.00 0.00 H new ATOM 0 HA ASP A 14 6.444 4.986 4.742 1.00 0.00 H new ATOM 0 HB2 ASP A 14 8.261 6.583 5.366 1.00 0.00 H new ATOM 0 HB3 ASP A 14 8.612 6.853 3.670 1.00 0.00 H new ATOM 99 N LEU A 15 5.405 4.802 2.497 1.00 0.00 N ATOM 100 CA LEU A 15 4.737 4.774 1.199 1.00 0.00 C ATOM 101 C LEU A 15 3.435 5.567 1.254 1.00 0.00 C ATOM 102 O LEU A 15 2.360 5.029 0.989 1.00 0.00 O ATOM 103 CB LEU A 15 4.433 3.325 0.792 1.00 0.00 C ATOM 104 CG LEU A 15 5.659 2.439 1.040 1.00 0.00 C ATOM 105 CD1 LEU A 15 5.249 0.968 0.954 1.00 0.00 C ATOM 106 CD2 LEU A 15 6.729 2.727 -0.016 1.00 0.00 C ATOM 0 H LEU A 15 4.841 4.452 3.272 1.00 0.00 H new ATOM 0 HA LEU A 15 5.401 5.226 0.462 1.00 0.00 H new ATOM 0 HB2 LEU A 15 3.583 2.950 1.362 1.00 0.00 H new ATOM 0 HB3 LEU A 15 4.154 3.286 -0.261 1.00 0.00 H new ATOM 0 HG LEU A 15 6.061 2.652 2.030 1.00 0.00 H new ATOM 0 HD11 LEU A 15 6.120 0.337 1.130 1.00 0.00 H new ATOM 0 HD12 LEU A 15 4.490 0.757 1.707 1.00 0.00 H new ATOM 0 HD13 LEU A 15 4.845 0.760 -0.037 1.00 0.00 H new ATOM 0 HD21 LEU A 15 7.598 2.095 0.165 1.00 0.00 H new ATOM 0 HD22 LEU A 15 6.328 2.517 -1.007 1.00 0.00 H new ATOM 0 HD23 LEU A 15 7.024 3.775 0.042 1.00 0.00 H new ATOM 118 N SER A 16 3.540 6.849 1.597 1.00 0.00 N ATOM 119 CA SER A 16 2.361 7.709 1.681 1.00 0.00 C ATOM 120 C SER A 16 1.392 7.394 0.546 1.00 0.00 C ATOM 121 O SER A 16 0.201 7.186 0.772 1.00 0.00 O ATOM 122 CB SER A 16 2.780 9.178 1.604 1.00 0.00 C ATOM 123 OG SER A 16 1.689 9.953 1.124 1.00 0.00 O ATOM 0 H SER A 16 4.421 7.312 1.820 1.00 0.00 H new ATOM 0 HA SER A 16 1.863 7.524 2.633 1.00 0.00 H new ATOM 0 HB2 SER A 16 3.088 9.532 2.588 1.00 0.00 H new ATOM 0 HB3 SER A 16 3.639 9.289 0.942 1.00 0.00 H new ATOM 0 HG SER A 16 1.954 10.895 1.075 1.00 0.00 H new ATOM 129 N LYS A 17 1.920 7.349 -0.672 1.00 0.00 N ATOM 130 CA LYS A 17 1.104 7.045 -1.839 1.00 0.00 C ATOM 131 C LYS A 17 2.003 6.676 -3.013 1.00 0.00 C ATOM 132 O LYS A 17 2.929 7.413 -3.353 1.00 0.00 O ATOM 133 CB LYS A 17 0.238 8.256 -2.202 1.00 0.00 C ATOM 134 CG LYS A 17 -0.495 8.003 -3.525 1.00 0.00 C ATOM 135 CD LYS A 17 -1.308 6.707 -3.432 1.00 0.00 C ATOM 136 CE LYS A 17 -2.415 6.719 -4.489 1.00 0.00 C ATOM 137 NZ LYS A 17 -2.961 5.342 -4.650 1.00 0.00 N ATOM 0 H LYS A 17 2.905 7.518 -0.875 1.00 0.00 H new ATOM 0 HA LYS A 17 0.452 6.202 -1.610 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -0.484 8.447 -1.408 1.00 0.00 H new ATOM 0 HB3 LYS A 17 0.861 9.146 -2.287 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -1.155 8.841 -3.751 1.00 0.00 H new ATOM 0 HG3 LYS A 17 0.224 7.934 -4.341 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -0.657 5.846 -3.582 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -1.742 6.609 -2.437 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -3.209 7.404 -4.192 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -2.022 7.079 -5.439 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -3.864 5.385 -5.164 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -2.285 4.761 -5.185 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -3.116 4.918 -3.713 1.00 0.00 H new ATOM 151 N TRP A 18 1.720 5.533 -3.630 1.00 0.00 N ATOM 152 CA TRP A 18 2.504 5.061 -4.768 1.00 0.00 C ATOM 153 C TRP A 18 1.593 4.868 -5.979 1.00 0.00 C ATOM 154 O TRP A 18 0.371 4.831 -5.846 1.00 0.00 O ATOM 155 CB TRP A 18 3.172 3.722 -4.415 1.00 0.00 C ATOM 156 CG TRP A 18 4.562 3.941 -3.888 1.00 0.00 C ATOM 157 CD1 TRP A 18 4.947 4.958 -3.083 1.00 0.00 C ATOM 158 CD2 TRP A 18 5.750 3.126 -4.110 1.00 0.00 C ATOM 159 NE1 TRP A 18 6.295 4.822 -2.804 1.00 0.00 N ATOM 160 CE2 TRP A 18 6.835 3.708 -3.414 1.00 0.00 C ATOM 161 CE3 TRP A 18 5.989 1.952 -4.842 1.00 0.00 C ATOM 162 CZ2 TRP A 18 8.110 3.144 -3.443 1.00 0.00 C ATOM 163 CZ3 TRP A 18 7.270 1.382 -4.875 1.00 0.00 C ATOM 164 CH2 TRP A 18 8.330 1.977 -4.177 1.00 0.00 C ATOM 0 H TRP A 18 0.954 4.916 -3.362 1.00 0.00 H new ATOM 0 HA TRP A 18 3.270 5.800 -5.005 1.00 0.00 H new ATOM 0 HB2 TRP A 18 2.574 3.198 -3.669 1.00 0.00 H new ATOM 0 HB3 TRP A 18 3.210 3.085 -5.299 1.00 0.00 H new ATOM 0 HD1 TRP A 18 4.306 5.747 -2.718 1.00 0.00 H new ATOM 0 HE1 TRP A 18 6.826 5.467 -2.218 1.00 0.00 H new ATOM 0 HE3 TRP A 18 5.180 1.484 -5.384 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 8.922 3.607 -2.901 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 7.441 0.479 -5.442 1.00 0.00 H new ATOM 0 HH2 TRP A 18 9.314 1.534 -4.207 1.00 0.00 H new ATOM 175 N LYS A 19 2.194 4.735 -7.158 1.00 0.00 N ATOM 176 CA LYS A 19 1.421 4.535 -8.380 1.00 0.00 C ATOM 177 C LYS A 19 1.352 3.048 -8.718 1.00 0.00 C ATOM 178 O LYS A 19 2.181 2.260 -8.266 1.00 0.00 O ATOM 179 CB LYS A 19 2.056 5.303 -9.546 1.00 0.00 C ATOM 180 CG LYS A 19 2.664 6.612 -9.034 1.00 0.00 C ATOM 181 CD LYS A 19 1.571 7.470 -8.393 1.00 0.00 C ATOM 182 CE LYS A 19 2.145 8.840 -8.025 1.00 0.00 C ATOM 183 NZ LYS A 19 2.809 9.438 -9.219 1.00 0.00 N ATOM 0 H LYS A 19 3.205 4.762 -7.293 1.00 0.00 H new ATOM 0 HA LYS A 19 0.412 4.913 -8.218 1.00 0.00 H new ATOM 0 HB2 LYS A 19 2.826 4.694 -10.018 1.00 0.00 H new ATOM 0 HB3 LYS A 19 1.305 5.513 -10.307 1.00 0.00 H new ATOM 0 HG2 LYS A 19 3.448 6.401 -8.307 1.00 0.00 H new ATOM 0 HG3 LYS A 19 3.130 7.154 -9.857 1.00 0.00 H new ATOM 0 HD2 LYS A 19 0.735 7.588 -9.083 1.00 0.00 H new ATOM 0 HD3 LYS A 19 1.182 6.976 -7.503 1.00 0.00 H new ATOM 0 HE2 LYS A 19 1.350 9.496 -7.671 1.00 0.00 H new ATOM 0 HE3 LYS A 19 2.861 8.739 -7.210 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 2.850 10.472 -9.112 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 3.774 9.060 -9.305 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 2.266 9.200 -10.074 1.00 0.00 H new ATOM 197 N TYR A 20 0.357 2.668 -9.513 1.00 0.00 N ATOM 198 CA TYR A 20 0.198 1.270 -9.899 1.00 0.00 C ATOM 199 C TYR A 20 1.404 0.802 -10.712 1.00 0.00 C ATOM 200 O TYR A 20 1.861 -0.334 -10.569 1.00 0.00 O ATOM 201 CB TYR A 20 -1.086 1.096 -10.723 1.00 0.00 C ATOM 202 CG TYR A 20 -1.390 2.376 -11.465 1.00 0.00 C ATOM 203 CD1 TYR A 20 -2.146 3.380 -10.847 1.00 0.00 C ATOM 204 CD2 TYR A 20 -0.918 2.558 -12.770 1.00 0.00 C ATOM 205 CE1 TYR A 20 -2.429 4.567 -11.536 1.00 0.00 C ATOM 206 CE2 TYR A 20 -1.200 3.744 -13.458 1.00 0.00 C ATOM 207 CZ TYR A 20 -1.956 4.749 -12.841 1.00 0.00 C ATOM 208 OH TYR A 20 -2.235 5.917 -13.519 1.00 0.00 O ATOM 0 H TYR A 20 -0.344 3.300 -9.899 1.00 0.00 H new ATOM 0 HA TYR A 20 0.128 0.665 -8.995 1.00 0.00 H new ATOM 0 HB2 TYR A 20 -0.968 0.274 -11.429 1.00 0.00 H new ATOM 0 HB3 TYR A 20 -1.918 0.837 -10.068 1.00 0.00 H new ATOM 0 HD1 TYR A 20 -2.511 3.240 -9.840 1.00 0.00 H new ATOM 0 HD2 TYR A 20 -0.336 1.783 -13.246 1.00 0.00 H new ATOM 0 HE1 TYR A 20 -3.012 5.342 -11.060 1.00 0.00 H new ATOM 0 HE2 TYR A 20 -0.835 3.884 -14.465 1.00 0.00 H new ATOM 0 HH TYR A 20 -1.832 5.881 -14.412 1.00 0.00 H new ATOM 218 N ALA A 21 1.910 1.687 -11.563 1.00 0.00 N ATOM 219 CA ALA A 21 3.059 1.363 -12.401 1.00 0.00 C ATOM 220 C ALA A 21 4.273 0.995 -11.551 1.00 0.00 C ATOM 221 O ALA A 21 4.798 -0.113 -11.653 1.00 0.00 O ATOM 222 CB ALA A 21 3.405 2.556 -13.294 1.00 0.00 C ATOM 0 H ALA A 21 1.545 2.631 -11.691 1.00 0.00 H new ATOM 0 HA ALA A 21 2.796 0.504 -13.019 1.00 0.00 H new ATOM 0 HB1 ALA A 21 4.264 2.307 -13.917 1.00 0.00 H new ATOM 0 HB2 ALA A 21 2.552 2.794 -13.930 1.00 0.00 H new ATOM 0 HB3 ALA A 21 3.646 3.418 -12.672 1.00 0.00 H new ATOM 228 N GLU A 22 4.720 1.932 -10.720 1.00 0.00 N ATOM 229 CA GLU A 22 5.882 1.689 -9.871 1.00 0.00 C ATOM 230 C GLU A 22 5.622 0.523 -8.920 1.00 0.00 C ATOM 231 O GLU A 22 6.530 -0.254 -8.622 1.00 0.00 O ATOM 232 CB GLU A 22 6.222 2.945 -9.065 1.00 0.00 C ATOM 233 CG GLU A 22 5.050 3.308 -8.153 1.00 0.00 C ATOM 234 CD GLU A 22 5.303 4.656 -7.492 1.00 0.00 C ATOM 235 OE1 GLU A 22 5.841 5.529 -8.154 1.00 0.00 O ATOM 236 OE2 GLU A 22 4.953 4.800 -6.331 1.00 0.00 O ATOM 0 H GLU A 22 4.301 2.856 -10.616 1.00 0.00 H new ATOM 0 HA GLU A 22 6.725 1.436 -10.514 1.00 0.00 H new ATOM 0 HB2 GLU A 22 7.119 2.774 -8.469 1.00 0.00 H new ATOM 0 HB3 GLU A 22 6.440 3.773 -9.739 1.00 0.00 H new ATOM 0 HG2 GLU A 22 4.127 3.345 -8.731 1.00 0.00 H new ATOM 0 HG3 GLU A 22 4.919 2.539 -7.392 1.00 0.00 H new ATOM 243 N LEU A 23 4.386 0.401 -8.446 1.00 0.00 N ATOM 244 CA LEU A 23 4.042 -0.684 -7.532 1.00 0.00 C ATOM 245 C LEU A 23 4.375 -2.030 -8.168 1.00 0.00 C ATOM 246 O LEU A 23 5.127 -2.825 -7.603 1.00 0.00 O ATOM 247 CB LEU A 23 2.543 -0.632 -7.193 1.00 0.00 C ATOM 248 CG LEU A 23 2.329 0.030 -5.826 1.00 0.00 C ATOM 249 CD1 LEU A 23 0.901 0.576 -5.737 1.00 0.00 C ATOM 250 CD2 LEU A 23 2.545 -1.001 -4.714 1.00 0.00 C ATOM 0 H LEU A 23 3.616 1.029 -8.675 1.00 0.00 H new ATOM 0 HA LEU A 23 4.622 -0.567 -6.616 1.00 0.00 H new ATOM 0 HB2 LEU A 23 2.008 -0.075 -7.962 1.00 0.00 H new ATOM 0 HB3 LEU A 23 2.130 -1.641 -7.185 1.00 0.00 H new ATOM 0 HG LEU A 23 3.041 0.847 -5.709 1.00 0.00 H new ATOM 0 HD11 LEU A 23 0.751 1.046 -4.765 1.00 0.00 H new ATOM 0 HD12 LEU A 23 0.744 1.313 -6.525 1.00 0.00 H new ATOM 0 HD13 LEU A 23 0.191 -0.242 -5.858 1.00 0.00 H new ATOM 0 HD21 LEU A 23 2.392 -0.528 -3.744 1.00 0.00 H new ATOM 0 HD22 LEU A 23 1.835 -1.820 -4.834 1.00 0.00 H new ATOM 0 HD23 LEU A 23 3.561 -1.391 -4.771 1.00 0.00 H new ATOM 262 N ARG A 24 3.817 -2.274 -9.348 1.00 0.00 N ATOM 263 CA ARG A 24 4.061 -3.529 -10.051 1.00 0.00 C ATOM 264 C ARG A 24 5.542 -3.682 -10.383 1.00 0.00 C ATOM 265 O ARG A 24 6.149 -4.716 -10.104 1.00 0.00 O ATOM 266 CB ARG A 24 3.239 -3.573 -11.341 1.00 0.00 C ATOM 267 CG ARG A 24 3.223 -5.001 -11.887 1.00 0.00 C ATOM 268 CD ARG A 24 2.390 -5.048 -13.169 1.00 0.00 C ATOM 269 NE ARG A 24 2.252 -6.425 -13.634 1.00 0.00 N ATOM 270 CZ ARG A 24 1.389 -7.259 -13.064 1.00 0.00 C ATOM 271 NH1 ARG A 24 0.645 -6.852 -12.071 1.00 0.00 N ATOM 272 NH2 ARG A 24 1.285 -8.485 -13.496 1.00 0.00 N ATOM 0 H ARG A 24 3.198 -1.626 -9.835 1.00 0.00 H new ATOM 0 HA ARG A 24 3.762 -4.351 -9.400 1.00 0.00 H new ATOM 0 HB2 ARG A 24 2.221 -3.235 -11.148 1.00 0.00 H new ATOM 0 HB3 ARG A 24 3.665 -2.895 -12.080 1.00 0.00 H new ATOM 0 HG2 ARG A 24 4.240 -5.336 -12.089 1.00 0.00 H new ATOM 0 HG3 ARG A 24 2.806 -5.681 -11.144 1.00 0.00 H new ATOM 0 HD2 ARG A 24 1.405 -4.618 -12.987 1.00 0.00 H new ATOM 0 HD3 ARG A 24 2.864 -4.442 -13.941 1.00 0.00 H new ATOM 0 HE ARG A 24 2.828 -6.752 -14.410 1.00 0.00 H new ATOM 0 HH11 ARG A 24 0.726 -5.893 -11.732 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -0.017 -7.493 -11.634 1.00 0.00 H new ATOM 0 HH21 ARG A 24 1.866 -8.804 -14.271 1.00 0.00 H new ATOM 0 HH22 ARG A 24 0.623 -9.125 -13.059 1.00 0.00 H new ATOM 286 N ASP A 25 6.116 -2.650 -10.986 1.00 0.00 N ATOM 287 CA ASP A 25 7.523 -2.689 -11.357 1.00 0.00 C ATOM 288 C ASP A 25 8.399 -2.989 -10.146 1.00 0.00 C ATOM 289 O ASP A 25 9.202 -3.921 -10.165 1.00 0.00 O ATOM 290 CB ASP A 25 7.937 -1.346 -11.967 1.00 0.00 C ATOM 291 CG ASP A 25 9.266 -1.493 -12.700 1.00 0.00 C ATOM 292 OD1 ASP A 25 9.321 -2.272 -13.638 1.00 0.00 O ATOM 293 OD2 ASP A 25 10.211 -0.827 -12.311 1.00 0.00 O ATOM 0 H ASP A 25 5.634 -1.784 -11.227 1.00 0.00 H new ATOM 0 HA ASP A 25 7.660 -3.484 -12.090 1.00 0.00 H new ATOM 0 HB2 ASP A 25 7.168 -0.998 -12.657 1.00 0.00 H new ATOM 0 HB3 ASP A 25 8.026 -0.593 -11.184 1.00 0.00 H new ATOM 298 N THR A 26 8.245 -2.192 -9.094 1.00 0.00 N ATOM 299 CA THR A 26 9.038 -2.382 -7.885 1.00 0.00 C ATOM 300 C THR A 26 8.848 -3.783 -7.311 1.00 0.00 C ATOM 301 O THR A 26 9.787 -4.370 -6.775 1.00 0.00 O ATOM 302 CB THR A 26 8.648 -1.345 -6.833 1.00 0.00 C ATOM 303 OG1 THR A 26 8.560 -0.064 -7.442 1.00 0.00 O ATOM 304 CG2 THR A 26 9.707 -1.317 -5.731 1.00 0.00 C ATOM 0 H THR A 26 7.585 -1.415 -9.053 1.00 0.00 H new ATOM 0 HA THR A 26 10.087 -2.258 -8.153 1.00 0.00 H new ATOM 0 HB THR A 26 7.682 -1.608 -6.401 1.00 0.00 H new ATOM 0 HG1 THR A 26 7.618 0.180 -7.556 1.00 0.00 H new ATOM 0 HG21 THR A 26 9.430 -0.578 -4.979 1.00 0.00 H new ATOM 0 HG22 THR A 26 9.774 -2.300 -5.265 1.00 0.00 H new ATOM 0 HG23 THR A 26 10.673 -1.053 -6.161 1.00 0.00 H new ATOM 312 N ILE A 27 7.632 -4.313 -7.412 1.00 0.00 N ATOM 313 CA ILE A 27 7.356 -5.645 -6.880 1.00 0.00 C ATOM 314 C ILE A 27 7.897 -6.726 -7.815 1.00 0.00 C ATOM 315 O ILE A 27 8.122 -7.861 -7.395 1.00 0.00 O ATOM 316 CB ILE A 27 5.839 -5.823 -6.659 1.00 0.00 C ATOM 317 CG1 ILE A 27 5.590 -6.417 -5.264 1.00 0.00 C ATOM 318 CG2 ILE A 27 5.239 -6.752 -7.725 1.00 0.00 C ATOM 319 CD1 ILE A 27 4.123 -6.830 -5.126 1.00 0.00 C ATOM 0 H ILE A 27 6.835 -3.851 -7.849 1.00 0.00 H new ATOM 0 HA ILE A 27 7.863 -5.748 -5.921 1.00 0.00 H new ATOM 0 HB ILE A 27 5.360 -4.847 -6.738 1.00 0.00 H new ATOM 0 HG12 ILE A 27 6.236 -7.281 -5.107 1.00 0.00 H new ATOM 0 HG13 ILE A 27 5.844 -5.685 -4.497 1.00 0.00 H new ATOM 0 HG21 ILE A 27 4.169 -6.863 -7.550 1.00 0.00 H new ATOM 0 HG22 ILE A 27 5.402 -6.324 -8.714 1.00 0.00 H new ATOM 0 HG23 ILE A 27 5.719 -7.729 -7.668 1.00 0.00 H new ATOM 0 HD11 ILE A 27 3.955 -7.250 -4.134 1.00 0.00 H new ATOM 0 HD12 ILE A 27 3.485 -5.957 -5.263 1.00 0.00 H new ATOM 0 HD13 ILE A 27 3.883 -7.577 -5.882 1.00 0.00 H new ATOM 331 N ASN A 28 8.095 -6.371 -9.083 1.00 0.00 N ATOM 332 CA ASN A 28 8.603 -7.330 -10.064 1.00 0.00 C ATOM 333 C ASN A 28 10.068 -7.045 -10.403 1.00 0.00 C ATOM 334 O ASN A 28 10.683 -7.775 -11.180 1.00 0.00 O ATOM 335 CB ASN A 28 7.739 -7.278 -11.335 1.00 0.00 C ATOM 336 CG ASN A 28 8.491 -6.604 -12.479 1.00 0.00 C ATOM 337 OD1 ASN A 28 8.996 -5.416 -12.300 1.00 0.00 O flip ATOM 338 ND2 ASN A 28 8.623 -7.175 -13.561 1.00 0.00 N flip ATOM 0 H ASN A 28 7.914 -5.438 -9.453 1.00 0.00 H new ATOM 0 HA ASN A 28 8.548 -8.330 -9.633 1.00 0.00 H new ATOM 0 HB2 ASN A 28 7.455 -8.289 -11.627 1.00 0.00 H new ATOM 0 HB3 ASN A 28 6.817 -6.734 -11.130 1.00 0.00 H new ATOM 0 HD21 ASN A 28 8.227 -8.105 -13.699 1.00 0.00 H new ATOM 0 HD22 ASN A 28 9.129 -6.719 -14.320 1.00 0.00 H new ATOM 345 N THR A 29 10.621 -5.988 -9.812 1.00 0.00 N ATOM 346 CA THR A 29 12.019 -5.628 -10.059 1.00 0.00 C ATOM 347 C THR A 29 12.826 -5.720 -8.768 1.00 0.00 C ATOM 348 O THR A 29 13.902 -6.316 -8.739 1.00 0.00 O ATOM 349 CB THR A 29 12.115 -4.202 -10.617 1.00 0.00 C ATOM 350 OG1 THR A 29 11.401 -3.317 -9.766 1.00 0.00 O ATOM 351 CG2 THR A 29 11.522 -4.145 -12.032 1.00 0.00 C ATOM 0 H THR A 29 10.130 -5.370 -9.165 1.00 0.00 H new ATOM 0 HA THR A 29 12.426 -6.327 -10.790 1.00 0.00 H new ATOM 0 HB THR A 29 13.163 -3.906 -10.662 1.00 0.00 H new ATOM 0 HG1 THR A 29 10.520 -3.697 -9.564 1.00 0.00 H new ATOM 0 HG21 THR A 29 11.596 -3.128 -12.417 1.00 0.00 H new ATOM 0 HG22 THR A 29 12.074 -4.821 -12.685 1.00 0.00 H new ATOM 0 HG23 THR A 29 10.475 -4.445 -12.000 1.00 0.00 H new ATOM 359 N SER A 30 12.298 -5.126 -7.703 1.00 0.00 N ATOM 360 CA SER A 30 12.974 -5.148 -6.413 1.00 0.00 C ATOM 361 C SER A 30 12.488 -6.334 -5.583 1.00 0.00 C ATOM 362 O SER A 30 11.507 -6.987 -5.936 1.00 0.00 O ATOM 363 CB SER A 30 12.704 -3.839 -5.666 1.00 0.00 C ATOM 364 OG SER A 30 13.787 -2.944 -5.884 1.00 0.00 O ATOM 0 H SER A 30 11.409 -4.626 -7.708 1.00 0.00 H new ATOM 0 HA SER A 30 14.047 -5.252 -6.576 1.00 0.00 H new ATOM 0 HB2 SER A 30 11.772 -3.393 -6.014 1.00 0.00 H new ATOM 0 HB3 SER A 30 12.586 -4.033 -4.600 1.00 0.00 H new ATOM 0 HG SER A 30 13.618 -2.104 -5.409 1.00 0.00 H new ATOM 370 N CYS A 31 13.181 -6.607 -4.483 1.00 0.00 N ATOM 371 CA CYS A 31 12.804 -7.718 -3.617 1.00 0.00 C ATOM 372 C CYS A 31 13.362 -7.525 -2.212 1.00 0.00 C ATOM 373 O CYS A 31 14.570 -7.368 -2.029 1.00 0.00 O ATOM 374 CB CYS A 31 13.328 -9.031 -4.198 1.00 0.00 C ATOM 375 SG CYS A 31 12.681 -10.418 -3.232 1.00 0.00 S ATOM 0 H CYS A 31 13.998 -6.081 -4.172 1.00 0.00 H new ATOM 0 HA CYS A 31 11.716 -7.751 -3.558 1.00 0.00 H new ATOM 0 HB2 CYS A 31 13.024 -9.127 -5.240 1.00 0.00 H new ATOM 0 HB3 CYS A 31 14.418 -9.039 -4.181 1.00 0.00 H new ATOM 0 HG CYS A 31 13.124 -11.536 -3.727 1.00 0.00 H new ATOM 381 N ASP A 32 12.475 -7.545 -1.224 1.00 0.00 N ATOM 382 CA ASP A 32 12.882 -7.380 0.165 1.00 0.00 C ATOM 383 C ASP A 32 11.685 -7.581 1.090 1.00 0.00 C ATOM 384 O ASP A 32 10.607 -7.040 0.851 1.00 0.00 O ATOM 385 CB ASP A 32 13.479 -5.982 0.383 1.00 0.00 C ATOM 386 CG ASP A 32 14.585 -6.038 1.433 1.00 0.00 C ATOM 387 OD1 ASP A 32 14.319 -6.526 2.519 1.00 0.00 O ATOM 388 OD2 ASP A 32 15.681 -5.594 1.134 1.00 0.00 O ATOM 0 H ASP A 32 11.472 -7.673 -1.359 1.00 0.00 H new ATOM 0 HA ASP A 32 13.641 -8.128 0.396 1.00 0.00 H new ATOM 0 HB2 ASP A 32 13.878 -5.599 -0.556 1.00 0.00 H new ATOM 0 HB3 ASP A 32 12.699 -5.291 0.703 1.00 0.00 H new ATOM 393 N ILE A 33 11.883 -8.365 2.146 1.00 0.00 N ATOM 394 CA ILE A 33 10.813 -8.633 3.100 1.00 0.00 C ATOM 395 C ILE A 33 9.981 -7.377 3.348 1.00 0.00 C ATOM 396 O ILE A 33 8.760 -7.445 3.462 1.00 0.00 O ATOM 397 CB ILE A 33 11.407 -9.123 4.427 1.00 0.00 C ATOM 398 CG1 ILE A 33 12.679 -8.321 4.747 1.00 0.00 C ATOM 399 CG2 ILE A 33 11.754 -10.610 4.315 1.00 0.00 C ATOM 400 CD1 ILE A 33 12.845 -8.200 6.264 1.00 0.00 C ATOM 0 H ILE A 33 12.769 -8.823 2.361 1.00 0.00 H new ATOM 0 HA ILE A 33 10.167 -9.404 2.681 1.00 0.00 H new ATOM 0 HB ILE A 33 10.678 -8.981 5.225 1.00 0.00 H new ATOM 0 HG12 ILE A 33 13.550 -8.814 4.314 1.00 0.00 H new ATOM 0 HG13 ILE A 33 12.618 -7.330 4.298 1.00 0.00 H new ATOM 0 HG21 ILE A 33 12.176 -10.957 5.258 1.00 0.00 H new ATOM 0 HG22 ILE A 33 10.851 -11.178 4.090 1.00 0.00 H new ATOM 0 HG23 ILE A 33 12.482 -10.755 3.517 1.00 0.00 H new ATOM 0 HD11 ILE A 33 13.748 -7.631 6.487 1.00 0.00 H new ATOM 0 HD12 ILE A 33 11.980 -7.688 6.685 1.00 0.00 H new ATOM 0 HD13 ILE A 33 12.926 -9.195 6.702 1.00 0.00 H new ATOM 412 N GLU A 34 10.654 -6.235 3.434 1.00 0.00 N ATOM 413 CA GLU A 34 9.966 -4.971 3.677 1.00 0.00 C ATOM 414 C GLU A 34 9.236 -4.496 2.422 1.00 0.00 C ATOM 415 O GLU A 34 8.048 -4.179 2.471 1.00 0.00 O ATOM 416 CB GLU A 34 10.974 -3.907 4.125 1.00 0.00 C ATOM 417 CG GLU A 34 12.110 -4.569 4.914 1.00 0.00 C ATOM 418 CD GLU A 34 12.763 -3.551 5.845 1.00 0.00 C ATOM 419 OE1 GLU A 34 12.035 -2.844 6.522 1.00 0.00 O ATOM 420 OE2 GLU A 34 13.982 -3.495 5.866 1.00 0.00 O ATOM 0 H GLU A 34 11.667 -6.157 3.340 1.00 0.00 H new ATOM 0 HA GLU A 34 9.229 -5.128 4.464 1.00 0.00 H new ATOM 0 HB2 GLU A 34 11.377 -3.386 3.257 1.00 0.00 H new ATOM 0 HB3 GLU A 34 10.477 -3.159 4.743 1.00 0.00 H new ATOM 0 HG2 GLU A 34 11.721 -5.407 5.493 1.00 0.00 H new ATOM 0 HG3 GLU A 34 12.853 -4.974 4.227 1.00 0.00 H new ATOM 427 N LEU A 35 9.953 -4.441 1.303 1.00 0.00 N ATOM 428 CA LEU A 35 9.353 -3.994 0.049 1.00 0.00 C ATOM 429 C LEU A 35 8.101 -4.811 -0.259 1.00 0.00 C ATOM 430 O LEU A 35 7.032 -4.254 -0.516 1.00 0.00 O ATOM 431 CB LEU A 35 10.362 -4.147 -1.102 1.00 0.00 C ATOM 432 CG LEU A 35 10.212 -3.003 -2.128 1.00 0.00 C ATOM 433 CD1 LEU A 35 8.730 -2.743 -2.430 1.00 0.00 C ATOM 434 CD2 LEU A 35 10.854 -1.719 -1.586 1.00 0.00 C ATOM 0 H LEU A 35 10.938 -4.697 1.238 1.00 0.00 H new ATOM 0 HA LEU A 35 9.078 -2.944 0.151 1.00 0.00 H new ATOM 0 HB2 LEU A 35 11.376 -4.151 -0.703 1.00 0.00 H new ATOM 0 HB3 LEU A 35 10.211 -5.106 -1.597 1.00 0.00 H new ATOM 0 HG LEU A 35 10.716 -3.300 -3.048 1.00 0.00 H new ATOM 0 HD11 LEU A 35 8.643 -1.934 -3.155 1.00 0.00 H new ATOM 0 HD12 LEU A 35 8.278 -3.647 -2.839 1.00 0.00 H new ATOM 0 HD13 LEU A 35 8.215 -2.464 -1.511 1.00 0.00 H new ATOM 0 HD21 LEU A 35 10.742 -0.919 -2.318 1.00 0.00 H new ATOM 0 HD22 LEU A 35 10.363 -1.431 -0.656 1.00 0.00 H new ATOM 0 HD23 LEU A 35 11.913 -1.893 -1.398 1.00 0.00 H new ATOM 446 N LEU A 36 8.243 -6.132 -0.239 1.00 0.00 N ATOM 447 CA LEU A 36 7.121 -7.019 -0.528 1.00 0.00 C ATOM 448 C LEU A 36 6.044 -6.908 0.547 1.00 0.00 C ATOM 449 O LEU A 36 4.865 -6.737 0.237 1.00 0.00 O ATOM 450 CB LEU A 36 7.610 -8.466 -0.621 1.00 0.00 C ATOM 451 CG LEU A 36 8.838 -8.539 -1.533 1.00 0.00 C ATOM 452 CD1 LEU A 36 9.258 -10.000 -1.706 1.00 0.00 C ATOM 453 CD2 LEU A 36 8.501 -7.939 -2.905 1.00 0.00 C ATOM 0 H LEU A 36 9.119 -6.610 -0.027 1.00 0.00 H new ATOM 0 HA LEU A 36 6.687 -6.719 -1.482 1.00 0.00 H new ATOM 0 HB2 LEU A 36 7.860 -8.840 0.372 1.00 0.00 H new ATOM 0 HB3 LEU A 36 6.817 -9.104 -1.011 1.00 0.00 H new ATOM 0 HG LEU A 36 9.655 -7.974 -1.083 1.00 0.00 H new ATOM 0 HD11 LEU A 36 10.132 -10.053 -2.355 1.00 0.00 H new ATOM 0 HD12 LEU A 36 9.502 -10.426 -0.733 1.00 0.00 H new ATOM 0 HD13 LEU A 36 8.439 -10.563 -2.153 1.00 0.00 H new ATOM 0 HD21 LEU A 36 9.377 -7.993 -3.551 1.00 0.00 H new ATOM 0 HD22 LEU A 36 7.683 -8.500 -3.356 1.00 0.00 H new ATOM 0 HD23 LEU A 36 8.203 -6.897 -2.783 1.00 0.00 H new ATOM 465 N ALA A 37 6.450 -7.007 1.810 1.00 0.00 N ATOM 466 CA ALA A 37 5.494 -6.915 2.908 1.00 0.00 C ATOM 467 C ALA A 37 4.658 -5.646 2.777 1.00 0.00 C ATOM 468 O ALA A 37 3.429 -5.692 2.823 1.00 0.00 O ATOM 469 CB ALA A 37 6.228 -6.908 4.250 1.00 0.00 C ATOM 0 H ALA A 37 7.419 -7.149 2.095 1.00 0.00 H new ATOM 0 HA ALA A 37 4.836 -7.783 2.865 1.00 0.00 H new ATOM 0 HB1 ALA A 37 5.503 -6.839 5.061 1.00 0.00 H new ATOM 0 HB2 ALA A 37 6.803 -7.828 4.355 1.00 0.00 H new ATOM 0 HB3 ALA A 37 6.902 -6.052 4.292 1.00 0.00 H new ATOM 475 N ALA A 38 5.335 -4.515 2.610 1.00 0.00 N ATOM 476 CA ALA A 38 4.645 -3.240 2.469 1.00 0.00 C ATOM 477 C ALA A 38 3.792 -3.234 1.203 1.00 0.00 C ATOM 478 O ALA A 38 2.605 -2.910 1.245 1.00 0.00 O ATOM 479 CB ALA A 38 5.662 -2.098 2.414 1.00 0.00 C ATOM 0 H ALA A 38 6.352 -4.456 2.569 1.00 0.00 H new ATOM 0 HA ALA A 38 3.994 -3.100 3.332 1.00 0.00 H new ATOM 0 HB1 ALA A 38 5.137 -1.148 2.308 1.00 0.00 H new ATOM 0 HB2 ALA A 38 6.248 -2.088 3.333 1.00 0.00 H new ATOM 0 HB3 ALA A 38 6.326 -2.243 1.561 1.00 0.00 H new ATOM 485 N CYS A 39 4.404 -3.601 0.080 1.00 0.00 N ATOM 486 CA CYS A 39 3.686 -3.638 -1.189 1.00 0.00 C ATOM 487 C CYS A 39 2.394 -4.436 -1.045 1.00 0.00 C ATOM 488 O CYS A 39 1.321 -3.978 -1.440 1.00 0.00 O ATOM 489 CB CYS A 39 4.559 -4.277 -2.271 1.00 0.00 C ATOM 490 SG CYS A 39 3.787 -4.031 -3.890 1.00 0.00 S ATOM 0 H CYS A 39 5.385 -3.874 0.023 1.00 0.00 H new ATOM 0 HA CYS A 39 3.445 -2.615 -1.477 1.00 0.00 H new ATOM 0 HB2 CYS A 39 5.555 -3.833 -2.259 1.00 0.00 H new ATOM 0 HB3 CYS A 39 4.682 -5.342 -2.073 1.00 0.00 H new ATOM 0 HG CYS A 39 4.710 -3.921 -4.799 1.00 0.00 H new ATOM 496 N ARG A 40 2.507 -5.631 -0.474 1.00 0.00 N ATOM 497 CA ARG A 40 1.343 -6.484 -0.280 1.00 0.00 C ATOM 498 C ARG A 40 0.300 -5.774 0.576 1.00 0.00 C ATOM 499 O ARG A 40 -0.886 -5.759 0.242 1.00 0.00 O ATOM 500 CB ARG A 40 1.759 -7.792 0.396 1.00 0.00 C ATOM 501 CG ARG A 40 2.519 -8.666 -0.604 1.00 0.00 C ATOM 502 CD ARG A 40 3.139 -9.859 0.127 1.00 0.00 C ATOM 503 NE ARG A 40 2.093 -10.691 0.716 1.00 0.00 N ATOM 504 CZ ARG A 40 1.654 -10.476 1.954 1.00 0.00 C ATOM 505 NH1 ARG A 40 2.161 -9.510 2.670 1.00 0.00 N ATOM 506 NH2 ARG A 40 0.715 -11.232 2.451 1.00 0.00 N ATOM 0 H ARG A 40 3.386 -6.027 -0.140 1.00 0.00 H new ATOM 0 HA ARG A 40 0.909 -6.704 -1.255 1.00 0.00 H new ATOM 0 HB2 ARG A 40 2.387 -7.582 1.262 1.00 0.00 H new ATOM 0 HB3 ARG A 40 0.879 -8.321 0.761 1.00 0.00 H new ATOM 0 HG2 ARG A 40 1.843 -9.016 -1.384 1.00 0.00 H new ATOM 0 HG3 ARG A 40 3.298 -8.082 -1.095 1.00 0.00 H new ATOM 0 HD2 ARG A 40 3.735 -10.450 -0.568 1.00 0.00 H new ATOM 0 HD3 ARG A 40 3.814 -9.506 0.906 1.00 0.00 H new ATOM 0 HE ARG A 40 1.691 -11.452 0.168 1.00 0.00 H new ATOM 0 HH11 ARG A 40 2.895 -8.918 2.281 1.00 0.00 H new ATOM 0 HH12 ARG A 40 1.823 -9.347 3.619 1.00 0.00 H new ATOM 0 HH21 ARG A 40 0.318 -11.987 1.891 1.00 0.00 H new ATOM 0 HH22 ARG A 40 0.377 -11.069 3.400 1.00 0.00 H new ATOM 520 N GLU A 41 0.748 -5.187 1.680 1.00 0.00 N ATOM 521 CA GLU A 41 -0.157 -4.476 2.574 1.00 0.00 C ATOM 522 C GLU A 41 -0.937 -3.414 1.807 1.00 0.00 C ATOM 523 O GLU A 41 -2.120 -3.192 2.064 1.00 0.00 O ATOM 524 CB GLU A 41 0.634 -3.815 3.706 1.00 0.00 C ATOM 525 CG GLU A 41 1.101 -4.885 4.695 1.00 0.00 C ATOM 526 CD GLU A 41 -0.069 -5.341 5.561 1.00 0.00 C ATOM 527 OE1 GLU A 41 -0.788 -6.229 5.131 1.00 0.00 O ATOM 528 OE2 GLU A 41 -0.229 -4.799 6.641 1.00 0.00 O ATOM 0 H GLU A 41 1.724 -5.189 1.976 1.00 0.00 H new ATOM 0 HA GLU A 41 -0.859 -5.194 2.997 1.00 0.00 H new ATOM 0 HB2 GLU A 41 1.493 -3.280 3.300 1.00 0.00 H new ATOM 0 HB3 GLU A 41 0.013 -3.079 4.217 1.00 0.00 H new ATOM 0 HG2 GLU A 41 1.517 -5.735 4.154 1.00 0.00 H new ATOM 0 HG3 GLU A 41 1.897 -4.487 5.325 1.00 0.00 H new ATOM 535 N GLU A 42 -0.267 -2.763 0.861 1.00 0.00 N ATOM 536 CA GLU A 42 -0.911 -1.729 0.059 1.00 0.00 C ATOM 537 C GLU A 42 -1.974 -2.342 -0.845 1.00 0.00 C ATOM 538 O GLU A 42 -3.106 -1.862 -0.904 1.00 0.00 O ATOM 539 CB GLU A 42 0.130 -0.999 -0.792 1.00 0.00 C ATOM 540 CG GLU A 42 0.974 -0.088 0.101 1.00 0.00 C ATOM 541 CD GLU A 42 0.157 1.128 0.525 1.00 0.00 C ATOM 542 OE1 GLU A 42 -0.984 1.225 0.107 1.00 0.00 O ATOM 543 OE2 GLU A 42 0.685 1.944 1.264 1.00 0.00 O ATOM 0 H GLU A 42 0.713 -2.931 0.632 1.00 0.00 H new ATOM 0 HA GLU A 42 -1.388 -1.017 0.732 1.00 0.00 H new ATOM 0 HB2 GLU A 42 0.769 -1.720 -1.301 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -0.365 -0.411 -1.565 1.00 0.00 H new ATOM 0 HG2 GLU A 42 1.309 -0.637 0.981 1.00 0.00 H new ATOM 0 HG3 GLU A 42 1.868 0.233 -0.434 1.00 0.00 H new ATOM 550 N PHE A 43 -1.603 -3.410 -1.547 1.00 0.00 N ATOM 551 CA PHE A 43 -2.536 -4.084 -2.443 1.00 0.00 C ATOM 552 C PHE A 43 -3.768 -4.553 -1.672 1.00 0.00 C ATOM 553 O PHE A 43 -4.900 -4.249 -2.051 1.00 0.00 O ATOM 554 CB PHE A 43 -1.846 -5.288 -3.104 1.00 0.00 C ATOM 555 CG PHE A 43 -1.446 -4.941 -4.522 1.00 0.00 C ATOM 556 CD1 PHE A 43 -0.746 -3.755 -4.783 1.00 0.00 C ATOM 557 CD2 PHE A 43 -1.777 -5.804 -5.574 1.00 0.00 C ATOM 558 CE1 PHE A 43 -0.377 -3.436 -6.095 1.00 0.00 C ATOM 559 CE2 PHE A 43 -1.408 -5.484 -6.886 1.00 0.00 C ATOM 560 CZ PHE A 43 -0.708 -4.300 -7.146 1.00 0.00 C ATOM 0 H PHE A 43 -0.671 -3.824 -1.513 1.00 0.00 H new ATOM 0 HA PHE A 43 -2.851 -3.381 -3.214 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -0.966 -5.574 -2.529 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -2.518 -6.146 -3.107 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -0.492 -3.088 -3.973 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -2.317 -6.717 -5.373 1.00 0.00 H new ATOM 0 HE1 PHE A 43 0.163 -2.523 -6.297 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -1.663 -6.150 -7.697 1.00 0.00 H new ATOM 0 HZ PHE A 43 -0.423 -4.053 -8.158 1.00 0.00 H new ATOM 570 N HIS A 44 -3.541 -5.291 -0.591 1.00 0.00 N ATOM 571 CA HIS A 44 -4.642 -5.793 0.223 1.00 0.00 C ATOM 572 C HIS A 44 -5.450 -4.634 0.799 1.00 0.00 C ATOM 573 O HIS A 44 -6.682 -4.658 0.792 1.00 0.00 O ATOM 574 CB HIS A 44 -4.098 -6.654 1.366 1.00 0.00 C ATOM 575 CG HIS A 44 -3.647 -7.983 0.823 1.00 0.00 C ATOM 576 ND1 HIS A 44 -4.544 -8.970 0.447 1.00 0.00 N ATOM 577 CD2 HIS A 44 -2.397 -8.502 0.590 1.00 0.00 C ATOM 578 CE1 HIS A 44 -3.827 -10.023 0.011 1.00 0.00 C ATOM 579 NE2 HIS A 44 -2.514 -9.791 0.077 1.00 0.00 N ATOM 0 H HIS A 44 -2.613 -5.553 -0.260 1.00 0.00 H new ATOM 0 HA HIS A 44 -5.291 -6.398 -0.410 1.00 0.00 H new ATOM 0 HB2 HIS A 44 -3.265 -6.147 1.853 1.00 0.00 H new ATOM 0 HB3 HIS A 44 -4.868 -6.801 2.123 1.00 0.00 H new ATOM 0 HD2 HIS A 44 -1.465 -7.989 0.776 1.00 0.00 H new ATOM 0 HE1 HIS A 44 -4.262 -10.944 -0.349 1.00 0.00 H new ATOM 0 HE2 HIS A 44 -1.759 -10.422 -0.191 1.00 0.00 H new ATOM 587 N ARG A 45 -4.749 -3.622 1.296 1.00 0.00 N ATOM 588 CA ARG A 45 -5.411 -2.458 1.875 1.00 0.00 C ATOM 589 C ARG A 45 -6.342 -1.811 0.853 1.00 0.00 C ATOM 590 O ARG A 45 -7.489 -1.491 1.163 1.00 0.00 O ATOM 591 CB ARG A 45 -4.366 -1.440 2.334 1.00 0.00 C ATOM 592 CG ARG A 45 -5.069 -0.188 2.864 1.00 0.00 C ATOM 593 CD ARG A 45 -4.053 0.702 3.581 1.00 0.00 C ATOM 594 NE ARG A 45 -4.704 1.907 4.084 1.00 0.00 N ATOM 595 CZ ARG A 45 -5.412 1.887 5.208 1.00 0.00 C ATOM 596 NH1 ARG A 45 -5.534 0.776 5.882 1.00 0.00 N ATOM 597 NH2 ARG A 45 -5.985 2.978 5.639 1.00 0.00 N ATOM 0 H ARG A 45 -3.730 -3.583 1.310 1.00 0.00 H new ATOM 0 HA ARG A 45 -6.000 -2.784 2.732 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -3.738 -1.874 3.112 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -3.710 -1.177 1.504 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -5.531 0.358 2.042 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -5.869 -0.469 3.549 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -3.598 0.155 4.406 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -3.249 0.973 2.896 1.00 0.00 H new ATOM 0 HE ARG A 45 -4.614 2.780 3.564 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -5.086 -0.076 5.546 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -6.077 0.760 6.745 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -5.889 3.846 5.113 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -6.528 2.962 6.502 1.00 0.00 H new ATOM 611 N ARG A 46 -5.839 -1.621 -0.362 1.00 0.00 N ATOM 612 CA ARG A 46 -6.635 -1.013 -1.421 1.00 0.00 C ATOM 613 C ARG A 46 -7.860 -1.868 -1.731 1.00 0.00 C ATOM 614 O ARG A 46 -8.976 -1.359 -1.831 1.00 0.00 O ATOM 615 CB ARG A 46 -5.786 -0.855 -2.687 1.00 0.00 C ATOM 616 CG ARG A 46 -6.451 0.150 -3.639 1.00 0.00 C ATOM 617 CD ARG A 46 -5.957 1.564 -3.326 1.00 0.00 C ATOM 618 NE ARG A 46 -4.555 1.702 -3.702 1.00 0.00 N ATOM 619 CZ ARG A 46 -3.841 2.756 -3.320 1.00 0.00 C ATOM 620 NH1 ARG A 46 -4.393 3.690 -2.595 1.00 0.00 N ATOM 621 NH2 ARG A 46 -2.587 2.855 -3.667 1.00 0.00 N ATOM 0 H ARG A 46 -4.891 -1.877 -0.636 1.00 0.00 H new ATOM 0 HA ARG A 46 -6.968 -0.032 -1.081 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -4.785 -0.513 -2.424 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -5.673 -1.819 -3.183 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -6.219 -0.106 -4.673 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -7.535 0.102 -3.534 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -6.559 2.295 -3.865 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -6.078 1.773 -2.263 1.00 0.00 H new ATOM 0 HE ARG A 46 -4.114 0.977 -4.268 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -5.372 3.611 -2.321 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -3.845 4.499 -2.302 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -2.155 2.124 -4.231 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -2.039 3.664 -3.374 1.00 0.00 H new ATOM 635 N LEU A 47 -7.641 -3.170 -1.878 1.00 0.00 N ATOM 636 CA LEU A 47 -8.734 -4.089 -2.174 1.00 0.00 C ATOM 637 C LEU A 47 -9.657 -4.221 -0.967 1.00 0.00 C ATOM 638 O LEU A 47 -10.848 -4.502 -1.111 1.00 0.00 O ATOM 639 CB LEU A 47 -8.172 -5.464 -2.545 1.00 0.00 C ATOM 640 CG LEU A 47 -7.271 -5.339 -3.781 1.00 0.00 C ATOM 641 CD1 LEU A 47 -6.289 -6.511 -3.818 1.00 0.00 C ATOM 642 CD2 LEU A 47 -8.127 -5.358 -5.053 1.00 0.00 C ATOM 0 H LEU A 47 -6.724 -3.610 -1.798 1.00 0.00 H new ATOM 0 HA LEU A 47 -9.305 -3.693 -3.014 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -7.604 -5.873 -1.709 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -8.988 -6.158 -2.746 1.00 0.00 H new ATOM 0 HG LEU A 47 -6.721 -4.399 -3.728 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -5.649 -6.422 -4.696 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -5.674 -6.499 -2.918 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -6.843 -7.448 -3.866 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -7.482 -5.269 -5.927 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -8.681 -6.295 -5.105 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -8.828 -4.523 -5.033 1.00 0.00 H new ATOM 654 N LYS A 48 -9.099 -4.017 0.222 1.00 0.00 N ATOM 655 CA LYS A 48 -9.881 -4.115 1.449 1.00 0.00 C ATOM 656 C LYS A 48 -10.885 -2.971 1.539 1.00 0.00 C ATOM 657 O LYS A 48 -12.080 -3.195 1.730 1.00 0.00 O ATOM 658 CB LYS A 48 -8.950 -4.078 2.663 1.00 0.00 C ATOM 659 CG LYS A 48 -9.767 -4.276 3.941 1.00 0.00 C ATOM 660 CD LYS A 48 -8.822 -4.405 5.137 1.00 0.00 C ATOM 661 CE LYS A 48 -9.638 -4.467 6.431 1.00 0.00 C ATOM 662 NZ LYS A 48 -8.715 -4.475 7.600 1.00 0.00 N ATOM 0 H LYS A 48 -8.116 -3.785 0.362 1.00 0.00 H new ATOM 0 HA LYS A 48 -10.426 -5.059 1.437 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -8.194 -4.858 2.578 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -8.422 -3.125 2.701 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -10.443 -3.433 4.087 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -10.386 -5.169 3.855 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -8.212 -5.303 5.036 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -8.138 -3.557 5.166 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -10.310 -3.611 6.491 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -10.260 -5.362 6.439 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -9.269 -4.517 8.479 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -8.091 -5.305 7.544 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -8.140 -3.608 7.594 1.00 0.00 H new ATOM 676 N VAL A 49 -10.394 -1.743 1.404 1.00 0.00 N ATOM 677 CA VAL A 49 -11.262 -0.573 1.475 1.00 0.00 C ATOM 678 C VAL A 49 -12.186 -0.517 0.263 1.00 0.00 C ATOM 679 O VAL A 49 -13.334 -0.082 0.365 1.00 0.00 O ATOM 680 CB VAL A 49 -10.419 0.702 1.539 1.00 0.00 C ATOM 681 CG1 VAL A 49 -9.483 0.636 2.747 1.00 0.00 C ATOM 682 CG2 VAL A 49 -9.588 0.832 0.260 1.00 0.00 C ATOM 0 H VAL A 49 -9.408 -1.533 1.246 1.00 0.00 H new ATOM 0 HA VAL A 49 -11.870 -0.649 2.377 1.00 0.00 H new ATOM 0 HB VAL A 49 -11.077 1.565 1.635 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -8.883 1.545 2.792 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -10.072 0.545 3.659 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -8.826 -0.229 2.651 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -8.988 1.741 0.307 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -8.931 -0.032 0.164 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -10.253 0.880 -0.602 1.00 0.00 H new ATOM 692 N TYR A 50 -11.682 -0.962 -0.883 1.00 0.00 N ATOM 693 CA TYR A 50 -12.475 -0.957 -2.107 1.00 0.00 C ATOM 694 C TYR A 50 -13.649 -1.924 -1.991 1.00 0.00 C ATOM 695 O TYR A 50 -14.772 -1.602 -2.378 1.00 0.00 O ATOM 696 CB TYR A 50 -11.601 -1.352 -3.299 1.00 0.00 C ATOM 697 CG TYR A 50 -12.437 -1.355 -4.557 1.00 0.00 C ATOM 698 CD1 TYR A 50 -12.797 -0.145 -5.162 1.00 0.00 C ATOM 699 CD2 TYR A 50 -12.849 -2.569 -5.121 1.00 0.00 C ATOM 700 CE1 TYR A 50 -13.569 -0.147 -6.329 1.00 0.00 C ATOM 701 CE2 TYR A 50 -13.623 -2.572 -6.288 1.00 0.00 C ATOM 702 CZ TYR A 50 -13.983 -1.361 -6.892 1.00 0.00 C ATOM 703 OH TYR A 50 -14.744 -1.364 -8.043 1.00 0.00 O ATOM 0 H TYR A 50 -10.736 -1.328 -0.990 1.00 0.00 H new ATOM 0 HA TYR A 50 -12.863 0.050 -2.260 1.00 0.00 H new ATOM 0 HB2 TYR A 50 -10.771 -0.653 -3.403 1.00 0.00 H new ATOM 0 HB3 TYR A 50 -11.168 -2.339 -3.135 1.00 0.00 H new ATOM 0 HD1 TYR A 50 -12.479 0.791 -4.728 1.00 0.00 H new ATOM 0 HD2 TYR A 50 -12.570 -3.503 -4.656 1.00 0.00 H new ATOM 0 HE1 TYR A 50 -13.846 0.787 -6.795 1.00 0.00 H new ATOM 0 HE2 TYR A 50 -13.942 -3.508 -6.722 1.00 0.00 H new ATOM 0 HH TYR A 50 -14.944 -2.288 -8.300 1.00 0.00 H new ATOM 713 N HIS A 51 -13.381 -3.112 -1.456 1.00 0.00 N ATOM 714 CA HIS A 51 -14.424 -4.120 -1.296 1.00 0.00 C ATOM 715 C HIS A 51 -15.303 -3.796 -0.093 1.00 0.00 C ATOM 716 O HIS A 51 -16.487 -4.138 -0.068 1.00 0.00 O ATOM 717 CB HIS A 51 -13.793 -5.502 -1.112 1.00 0.00 C ATOM 718 CG HIS A 51 -13.242 -5.983 -2.427 1.00 0.00 C ATOM 719 ND1 HIS A 51 -11.921 -6.374 -2.576 1.00 0.00 N ATOM 720 CD2 HIS A 51 -13.823 -6.144 -3.659 1.00 0.00 C ATOM 721 CE1 HIS A 51 -11.751 -6.748 -3.858 1.00 0.00 C ATOM 722 NE2 HIS A 51 -12.880 -6.627 -4.562 1.00 0.00 N ATOM 0 H HIS A 51 -12.458 -3.399 -1.128 1.00 0.00 H new ATOM 0 HA HIS A 51 -15.042 -4.120 -2.194 1.00 0.00 H new ATOM 0 HB2 HIS A 51 -12.997 -5.454 -0.368 1.00 0.00 H new ATOM 0 HB3 HIS A 51 -14.537 -6.206 -0.738 1.00 0.00 H new ATOM 0 HD1 HIS A 51 -11.207 -6.378 -1.847 1.00 0.00 H new ATOM 0 HD2 HIS A 51 -14.855 -5.929 -3.893 1.00 0.00 H new ATOM 0 HE1 HIS A 51 -10.816 -7.102 -4.267 1.00 0.00 H new ATOM 730 N ALA A 52 -14.721 -3.137 0.903 1.00 0.00 N ATOM 731 CA ALA A 52 -15.466 -2.777 2.105 1.00 0.00 C ATOM 732 C ALA A 52 -16.524 -1.724 1.787 1.00 0.00 C ATOM 733 O ALA A 52 -17.720 -1.964 1.952 1.00 0.00 O ATOM 734 CB ALA A 52 -14.510 -2.237 3.170 1.00 0.00 C ATOM 0 H ALA A 52 -13.744 -2.843 0.903 1.00 0.00 H new ATOM 0 HA ALA A 52 -15.963 -3.671 2.482 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -15.074 -1.971 4.064 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -13.774 -3.001 3.420 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -14.000 -1.354 2.786 1.00 0.00 H new ATOM 740 N TRP A 53 -16.077 -0.559 1.330 1.00 0.00 N ATOM 741 CA TRP A 53 -16.998 0.521 0.993 1.00 0.00 C ATOM 742 C TRP A 53 -17.997 0.064 -0.064 1.00 0.00 C ATOM 743 O TRP A 53 -19.044 0.685 -0.252 1.00 0.00 O ATOM 744 CB TRP A 53 -16.218 1.732 0.473 1.00 0.00 C ATOM 745 CG TRP A 53 -15.570 2.441 1.620 1.00 0.00 C ATOM 746 CD1 TRP A 53 -14.605 1.920 2.411 1.00 0.00 C ATOM 747 CD2 TRP A 53 -15.823 3.787 2.118 1.00 0.00 C ATOM 748 NE1 TRP A 53 -14.249 2.859 3.362 1.00 0.00 N ATOM 749 CE2 TRP A 53 -14.973 4.027 3.223 1.00 0.00 C ATOM 750 CE3 TRP A 53 -16.698 4.814 1.721 1.00 0.00 C ATOM 751 CZ2 TRP A 53 -14.989 5.240 3.910 1.00 0.00 C ATOM 752 CZ3 TRP A 53 -16.719 6.038 2.411 1.00 0.00 C ATOM 753 CH2 TRP A 53 -15.866 6.250 3.504 1.00 0.00 C ATOM 0 H TRP A 53 -15.092 -0.339 1.185 1.00 0.00 H new ATOM 0 HA TRP A 53 -17.543 0.801 1.894 1.00 0.00 H new ATOM 0 HB2 TRP A 53 -15.462 1.410 -0.243 1.00 0.00 H new ATOM 0 HB3 TRP A 53 -16.889 2.410 -0.055 1.00 0.00 H new ATOM 0 HD1 TRP A 53 -14.181 0.931 2.316 1.00 0.00 H new ATOM 0 HE1 TRP A 53 -13.539 2.708 4.078 1.00 0.00 H new ATOM 0 HE3 TRP A 53 -17.358 4.661 0.880 1.00 0.00 H new ATOM 0 HZ2 TRP A 53 -14.329 5.398 4.750 1.00 0.00 H new ATOM 0 HZ3 TRP A 53 -17.395 6.820 2.098 1.00 0.00 H new ATOM 0 HH2 TRP A 53 -15.887 7.192 4.031 1.00 0.00 H new ATOM 764 N LYS A 54 -17.672 -1.027 -0.750 1.00 0.00 N ATOM 765 CA LYS A 54 -18.553 -1.555 -1.785 1.00 0.00 C ATOM 766 C LYS A 54 -19.721 -2.308 -1.158 1.00 0.00 C ATOM 767 O LYS A 54 -20.789 -2.429 -1.758 1.00 0.00 O ATOM 768 CB LYS A 54 -17.771 -2.495 -2.710 1.00 0.00 C ATOM 769 CG LYS A 54 -18.718 -3.103 -3.759 1.00 0.00 C ATOM 770 CD LYS A 54 -19.091 -4.536 -3.357 1.00 0.00 C ATOM 771 CE LYS A 54 -20.351 -4.967 -4.107 1.00 0.00 C ATOM 772 NZ LYS A 54 -20.155 -4.754 -5.569 1.00 0.00 N ATOM 0 H LYS A 54 -16.813 -1.559 -0.610 1.00 0.00 H new ATOM 0 HA LYS A 54 -18.944 -0.719 -2.366 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -16.969 -1.948 -3.205 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -17.303 -3.288 -2.126 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -19.618 -2.494 -3.845 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -18.238 -3.104 -4.738 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -18.269 -5.214 -3.586 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -19.259 -4.591 -2.281 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -20.565 -6.017 -3.907 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -21.210 -4.394 -3.757 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -20.834 -5.337 -6.099 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -20.308 -3.751 -5.797 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -19.186 -5.026 -5.833 1.00 0.00 H new ATOM 786 N SER A 55 -19.511 -2.813 0.055 1.00 0.00 N ATOM 787 CA SER A 55 -20.553 -3.554 0.754 1.00 0.00 C ATOM 788 C SER A 55 -21.756 -2.657 1.029 1.00 0.00 C ATOM 789 O SER A 55 -22.895 -3.030 0.752 1.00 0.00 O ATOM 790 CB SER A 55 -20.010 -4.099 2.075 1.00 0.00 C ATOM 791 OG SER A 55 -21.023 -4.855 2.724 1.00 0.00 O ATOM 0 H SER A 55 -18.635 -2.723 0.570 1.00 0.00 H new ATOM 0 HA SER A 55 -20.869 -4.383 0.121 1.00 0.00 H new ATOM 0 HB2 SER A 55 -19.136 -4.723 1.892 1.00 0.00 H new ATOM 0 HB3 SER A 55 -19.687 -3.278 2.715 1.00 0.00 H new ATOM 0 HG SER A 55 -20.677 -5.207 3.571 1.00 0.00 H new ATOM 797 N LYS A 56 -21.494 -1.474 1.574 1.00 0.00 N ATOM 798 CA LYS A 56 -22.564 -0.533 1.881 1.00 0.00 C ATOM 799 C LYS A 56 -23.146 0.054 0.600 1.00 0.00 C ATOM 800 O LYS A 56 -22.964 1.235 0.306 1.00 0.00 O ATOM 801 CB LYS A 56 -22.030 0.597 2.767 1.00 0.00 C ATOM 802 CG LYS A 56 -21.523 0.015 4.091 1.00 0.00 C ATOM 803 CD LYS A 56 -21.425 1.125 5.145 1.00 0.00 C ATOM 804 CE LYS A 56 -22.766 1.270 5.871 1.00 0.00 C ATOM 805 NZ LYS A 56 -23.031 0.042 6.674 1.00 0.00 N ATOM 0 H LYS A 56 -20.558 -1.146 1.811 1.00 0.00 H new ATOM 0 HA LYS A 56 -23.351 -1.069 2.412 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -21.223 1.123 2.256 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -22.817 1.327 2.956 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -22.198 -0.768 4.436 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -20.547 -0.447 3.945 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -20.637 0.891 5.861 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -21.154 2.068 4.670 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -22.747 2.145 6.520 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -23.568 1.426 5.149 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -23.598 0.289 7.510 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -23.551 -0.647 6.094 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -22.128 -0.375 6.979 1.00 0.00 H new ATOM 819 N ASN A 57 -23.849 -0.781 -0.160 1.00 0.00 N ATOM 820 CA ASN A 57 -24.455 -0.337 -1.410 1.00 0.00 C ATOM 821 C ASN A 57 -23.439 0.418 -2.261 1.00 0.00 C ATOM 822 O ASN A 57 -22.557 -0.185 -2.872 1.00 0.00 O ATOM 823 CB ASN A 57 -25.653 0.568 -1.116 1.00 0.00 C ATOM 824 CG ASN A 57 -26.786 -0.249 -0.505 1.00 0.00 C ATOM 825 OD1 ASN A 57 -27.167 -1.286 -1.048 1.00 0.00 O ATOM 826 ND2 ASN A 57 -27.351 0.157 0.599 1.00 0.00 N ATOM 0 H ASN A 57 -24.012 -1.762 0.066 1.00 0.00 H new ATOM 0 HA ASN A 57 -24.790 -1.215 -1.962 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -25.358 1.365 -0.433 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -25.993 1.046 -2.035 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -28.109 -0.385 1.013 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -27.034 1.016 1.048 1.00 0.00 H new ATOM 833 N LYS A 58 -23.570 1.741 -2.300 1.00 0.00 N ATOM 834 CA LYS A 58 -22.659 2.568 -3.082 1.00 0.00 C ATOM 835 C LYS A 58 -22.849 4.043 -2.738 1.00 0.00 C ATOM 836 O LYS A 58 -23.720 4.714 -3.292 1.00 0.00 O ATOM 837 CB LYS A 58 -22.911 2.347 -4.579 1.00 0.00 C ATOM 838 CG LYS A 58 -21.625 2.610 -5.368 1.00 0.00 C ATOM 839 CD LYS A 58 -21.884 2.372 -6.859 1.00 0.00 C ATOM 840 CE LYS A 58 -20.549 2.188 -7.588 1.00 0.00 C ATOM 841 NZ LYS A 58 -19.517 3.061 -6.961 1.00 0.00 N ATOM 0 H LYS A 58 -24.294 2.260 -1.802 1.00 0.00 H new ATOM 0 HA LYS A 58 -21.635 2.282 -2.842 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -23.252 1.326 -4.753 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -23.703 3.011 -4.925 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -21.289 3.634 -5.205 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -20.829 1.953 -5.017 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -22.509 1.489 -6.994 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -22.429 3.215 -7.283 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -20.237 1.145 -7.540 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -20.661 2.439 -8.643 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -18.732 3.204 -7.628 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -19.939 3.981 -6.721 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -19.158 2.608 -6.096 1.00 0.00 H new ATOM 855 N LYS A 59 -22.031 4.538 -1.814 1.00 0.00 N ATOM 856 CA LYS A 59 -22.120 5.933 -1.397 1.00 0.00 C ATOM 857 C LYS A 59 -21.678 6.865 -2.520 1.00 0.00 C ATOM 858 O LYS A 59 -20.657 7.544 -2.412 1.00 0.00 O ATOM 859 CB LYS A 59 -21.240 6.165 -0.166 1.00 0.00 C ATOM 860 CG LYS A 59 -21.752 5.313 0.995 1.00 0.00 C ATOM 861 CD LYS A 59 -21.121 5.799 2.303 1.00 0.00 C ATOM 862 CE LYS A 59 -21.414 4.793 3.417 1.00 0.00 C ATOM 863 NZ LYS A 59 -21.127 5.422 4.739 1.00 0.00 N ATOM 0 H LYS A 59 -21.305 3.999 -1.343 1.00 0.00 H new ATOM 0 HA LYS A 59 -23.160 6.150 -1.152 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -20.205 5.907 -0.392 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -21.253 7.219 0.110 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -22.838 5.379 1.057 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -21.505 4.265 0.827 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -20.044 5.916 2.178 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -21.519 6.778 2.569 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -22.456 4.476 3.371 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -20.803 3.900 3.286 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -21.325 4.740 5.498 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -20.127 5.704 4.780 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -21.728 6.261 4.862 1.00 0.00 H new ATOM 877 N ARG A 60 -22.454 6.893 -3.600 1.00 0.00 N ATOM 878 CA ARG A 60 -22.134 7.746 -4.739 1.00 0.00 C ATOM 879 C ARG A 60 -23.415 8.243 -5.407 1.00 0.00 C ATOM 880 O ARG A 60 -23.811 9.361 -5.123 1.00 0.00 O ATOM 881 CB ARG A 60 -21.292 6.961 -5.751 1.00 0.00 C ATOM 882 CG ARG A 60 -19.804 7.137 -5.434 1.00 0.00 C ATOM 883 CD ARG A 60 -18.968 6.340 -6.437 1.00 0.00 C ATOM 884 NE ARG A 60 -17.584 6.804 -6.420 1.00 0.00 N ATOM 885 CZ ARG A 60 -16.716 6.353 -5.520 1.00 0.00 C ATOM 886 NH1 ARG A 60 -17.096 5.480 -4.628 1.00 0.00 N ATOM 887 NH2 ARG A 60 -15.484 6.785 -5.527 1.00 0.00 N ATOM 888 OXT ARG A 60 -23.978 7.498 -6.191 1.00 0.00 O ATOM 0 H ARG A 60 -23.303 6.339 -3.710 1.00 0.00 H new ATOM 0 HA ARG A 60 -21.567 8.607 -4.386 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -21.558 5.904 -5.718 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -21.502 7.311 -6.762 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -19.535 8.192 -5.478 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -19.595 6.797 -4.420 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -19.007 5.279 -6.192 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -19.384 6.451 -7.438 1.00 0.00 H new ATOM 0 HE ARG A 60 -17.277 7.488 -7.112 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -18.059 5.144 -4.621 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -16.430 5.134 -3.937 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -15.187 7.469 -6.223 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -14.818 6.439 -4.836 1.00 0.00 H new TER 902 ARG A 60