USER MOD reduce.3.24.130724 H: found=0, std=0, add=516, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 516 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 ASN : amide:sc= 0.299 K(o=0.3,f=-11!) USER MOD Single : A 1 ASN N :NH3+ -114:sc= 0.195 (180deg=0) USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 GLN : amide:sc= 0 K(o=0,f=-0.7) USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 18 GLN : amide:sc= -1.32! C(o=-1.3!,f=-2.7!) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 29 THR OG1 : rot 150:sc= -0.0428 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 THR OG1 : rot -140:sc= 0 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ -147:sc= -0.181 (180deg=-1.65!) USER MOD Single : A 48 ASN : amide:sc= -0.856 K(o=-0.86,f=-9.7!) USER MOD Single : A 53 GLN : amide:sc= 0 X(o=0,f=-0.0067) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 GLN : amide:sc= -1.46! C(o=-1.5!,f=-2.6!) USER MOD Single : A 61 SER OG : rot -80:sc= 1.08 USER MOD Single : A 63 SER OG : rot 87:sc= -0.0283 USER MOD Single : A 66 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0368) USER MOD Single : A 68 GLN : amide:sc= -0.048 X(o=-0.048,f=-0.069) USER MOD Single : A 69 LYS NZ :NH3+ -168:sc= 0.686 (180deg=0.219) USER MOD Single : A 75 HIS :FLIP no HD1:sc=-0.00981 F(o=-0.59,f=-0.0098) USER MOD ----------------------------------------------------------------- ATOM 1 N ASN A 1 -14.798 -0.213 12.371 1.00 0.00 N ATOM 2 CA ASN A 1 -14.528 -0.456 10.940 1.00 0.00 C ATOM 3 C ASN A 1 -14.243 -1.935 10.766 1.00 0.00 C ATOM 4 O ASN A 1 -13.945 -2.591 11.759 1.00 0.00 O ATOM 5 CB ASN A 1 -13.343 0.372 10.379 1.00 0.00 C ATOM 6 CG ASN A 1 -11.971 -0.236 10.640 1.00 0.00 C ATOM 7 OD1 ASN A 1 -11.569 -1.164 9.964 1.00 0.00 O ATOM 8 ND2 ASN A 1 -11.208 0.252 11.593 1.00 0.00 N ATOM 0 H1 ASN A 1 -15.788 0.080 12.493 1.00 0.00 H new ATOM 0 H2 ASN A 1 -14.626 -1.086 12.910 1.00 0.00 H new ATOM 0 H3 ASN A 1 -14.170 0.538 12.720 1.00 0.00 H new ATOM 0 HA ASN A 1 -15.406 -0.140 10.377 1.00 0.00 H new ATOM 0 HB2 ASN A 1 -13.476 0.491 9.304 1.00 0.00 H new ATOM 0 HB3 ASN A 1 -13.374 1.370 10.816 1.00 0.00 H new ATOM 0 HD21 ASN A 1 -10.285 -0.147 11.762 1.00 0.00 H new ATOM 0 HD22 ASN A 1 -11.539 1.030 12.163 1.00 0.00 H new ATOM 17 N GLU A 2 -14.227 -2.404 9.518 1.00 0.00 N ATOM 18 CA GLU A 2 -14.099 -3.828 9.190 1.00 0.00 C ATOM 19 C GLU A 2 -12.854 -4.113 8.329 1.00 0.00 C ATOM 20 O GLU A 2 -12.241 -5.173 8.442 1.00 0.00 O ATOM 21 CB GLU A 2 -15.361 -4.315 8.454 1.00 0.00 C ATOM 22 CG GLU A 2 -16.672 -3.572 8.793 1.00 0.00 C ATOM 23 CD GLU A 2 -16.992 -3.577 10.291 1.00 0.00 C ATOM 24 OE1 GLU A 2 -17.092 -4.689 10.848 1.00 0.00 O ATOM 25 OE2 GLU A 2 -17.024 -2.460 10.879 1.00 0.00 O ATOM 0 H GLU A 2 -14.303 -1.803 8.698 1.00 0.00 H new ATOM 0 HA GLU A 2 -13.985 -4.370 10.129 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -15.187 -4.232 7.381 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -15.500 -5.374 8.673 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -16.599 -2.541 8.446 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -17.496 -4.034 8.249 1.00 0.00 H new ATOM 32 N CYS A 3 -12.428 -3.153 7.489 1.00 0.00 N ATOM 33 CA CYS A 3 -11.219 -3.250 6.657 1.00 0.00 C ATOM 34 C CYS A 3 -9.986 -3.635 7.499 1.00 0.00 C ATOM 35 O CYS A 3 -9.269 -4.580 7.154 1.00 0.00 O ATOM 36 CB CYS A 3 -11.030 -1.944 5.848 1.00 0.00 C ATOM 37 SG CYS A 3 -12.372 -1.856 4.647 1.00 0.00 S ATOM 0 H CYS A 3 -12.926 -2.271 7.368 1.00 0.00 H new ATOM 0 HA CYS A 3 -11.341 -4.058 5.936 1.00 0.00 H new ATOM 0 HB2 CYS A 3 -11.048 -1.077 6.509 1.00 0.00 H new ATOM 0 HB3 CYS A 3 -10.063 -1.941 5.345 1.00 0.00 H new ATOM 42 N VAL A 4 -9.791 -2.974 8.648 1.00 0.00 N ATOM 43 CA VAL A 4 -8.718 -3.265 9.613 1.00 0.00 C ATOM 44 C VAL A 4 -8.765 -4.711 10.103 1.00 0.00 C ATOM 45 O VAL A 4 -7.723 -5.339 10.262 1.00 0.00 O ATOM 46 CB VAL A 4 -8.763 -2.277 10.802 1.00 0.00 C ATOM 47 CG1 VAL A 4 -9.691 -2.700 11.957 1.00 0.00 C ATOM 48 CG2 VAL A 4 -7.363 -2.032 11.352 1.00 0.00 C ATOM 0 H VAL A 4 -10.390 -2.202 8.941 1.00 0.00 H new ATOM 0 HA VAL A 4 -7.770 -3.133 9.091 1.00 0.00 H new ATOM 0 HB VAL A 4 -9.183 -1.361 10.386 1.00 0.00 H new ATOM 0 HG11 VAL A 4 -9.658 -1.947 12.745 1.00 0.00 H new ATOM 0 HG12 VAL A 4 -10.712 -2.794 11.588 1.00 0.00 H new ATOM 0 HG13 VAL A 4 -9.360 -3.658 12.357 1.00 0.00 H new ATOM 0 HG21 VAL A 4 -7.417 -1.334 12.188 1.00 0.00 H new ATOM 0 HG22 VAL A 4 -6.936 -2.975 11.694 1.00 0.00 H new ATOM 0 HG23 VAL A 4 -6.733 -1.611 10.568 1.00 0.00 H new ATOM 58 N SER A 5 -9.976 -5.258 10.263 1.00 0.00 N ATOM 59 CA SER A 5 -10.207 -6.631 10.724 1.00 0.00 C ATOM 60 C SER A 5 -9.740 -7.665 9.704 1.00 0.00 C ATOM 61 O SER A 5 -9.446 -8.804 10.070 1.00 0.00 O ATOM 62 CB SER A 5 -11.695 -6.877 10.990 1.00 0.00 C ATOM 63 OG SER A 5 -11.822 -7.920 11.932 1.00 0.00 O ATOM 0 H SER A 5 -10.839 -4.748 10.072 1.00 0.00 H new ATOM 0 HA SER A 5 -9.630 -6.742 11.642 1.00 0.00 H new ATOM 0 HB2 SER A 5 -12.166 -5.969 11.366 1.00 0.00 H new ATOM 0 HB3 SER A 5 -12.205 -7.141 10.064 1.00 0.00 H new ATOM 0 HG SER A 5 -12.771 -8.085 12.111 1.00 0.00 H new ATOM 69 N LYS A 6 -9.665 -7.285 8.421 1.00 0.00 N ATOM 70 CA LYS A 6 -9.076 -8.103 7.366 1.00 0.00 C ATOM 71 C LYS A 6 -7.641 -7.717 7.006 1.00 0.00 C ATOM 72 O LYS A 6 -7.034 -8.398 6.185 1.00 0.00 O ATOM 73 CB LYS A 6 -9.994 -8.025 6.152 1.00 0.00 C ATOM 74 CG LYS A 6 -11.153 -9.022 6.168 1.00 0.00 C ATOM 75 CD LYS A 6 -10.759 -10.427 5.687 1.00 0.00 C ATOM 76 CE LYS A 6 -10.094 -11.214 6.818 1.00 0.00 C ATOM 77 NZ LYS A 6 -10.222 -12.680 6.637 1.00 0.00 N ATOM 0 H LYS A 6 -10.018 -6.388 8.088 1.00 0.00 H new ATOM 0 HA LYS A 6 -8.996 -9.127 7.732 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -10.400 -7.016 6.084 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -9.401 -8.191 5.253 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -11.549 -9.091 7.181 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -11.957 -8.643 5.537 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -11.643 -10.959 5.337 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -10.077 -10.350 4.840 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -9.038 -10.948 6.870 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -10.543 -10.927 7.769 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -9.756 -13.169 7.428 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -11.229 -12.940 6.613 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -9.771 -12.960 5.743 1.00 0.00 H new ATOM 91 N GLY A 7 -7.094 -6.677 7.635 1.00 0.00 N ATOM 92 CA GLY A 7 -5.748 -6.190 7.357 1.00 0.00 C ATOM 93 C GLY A 7 -5.644 -5.431 6.034 1.00 0.00 C ATOM 94 O GLY A 7 -4.598 -5.505 5.395 1.00 0.00 O ATOM 0 H GLY A 7 -7.579 -6.146 8.358 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -5.430 -5.537 8.169 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -5.059 -7.035 7.339 1.00 0.00 H new ATOM 98 N PHE A 8 -6.704 -4.732 5.611 1.00 0.00 N ATOM 99 CA PHE A 8 -6.730 -3.866 4.428 1.00 0.00 C ATOM 100 C PHE A 8 -6.287 -2.432 4.737 1.00 0.00 C ATOM 101 O PHE A 8 -6.213 -2.021 5.894 1.00 0.00 O ATOM 102 CB PHE A 8 -8.141 -3.868 3.822 1.00 0.00 C ATOM 103 CG PHE A 8 -8.517 -5.189 3.194 1.00 0.00 C ATOM 104 CD1 PHE A 8 -7.743 -5.712 2.145 1.00 0.00 C ATOM 105 CD2 PHE A 8 -9.633 -5.901 3.654 1.00 0.00 C ATOM 106 CE1 PHE A 8 -8.087 -6.934 1.538 1.00 0.00 C ATOM 107 CE2 PHE A 8 -9.947 -7.142 3.078 1.00 0.00 C ATOM 108 CZ PHE A 8 -9.192 -7.657 2.014 1.00 0.00 C ATOM 0 H PHE A 8 -7.598 -4.755 6.101 1.00 0.00 H new ATOM 0 HA PHE A 8 -6.015 -4.268 3.711 1.00 0.00 H new ATOM 0 HB2 PHE A 8 -8.864 -3.624 4.600 1.00 0.00 H new ATOM 0 HB3 PHE A 8 -8.207 -3.083 3.069 1.00 0.00 H new ATOM 0 HD1 PHE A 8 -6.874 -5.170 1.801 1.00 0.00 H new ATOM 0 HD2 PHE A 8 -10.247 -5.498 4.446 1.00 0.00 H new ATOM 0 HE1 PHE A 8 -7.505 -7.313 0.711 1.00 0.00 H new ATOM 0 HE2 PHE A 8 -10.783 -7.709 3.460 1.00 0.00 H new ATOM 0 HZ PHE A 8 -9.459 -8.602 1.565 1.00 0.00 H new ATOM 118 N GLY A 9 -6.021 -1.663 3.678 1.00 0.00 N ATOM 119 CA GLY A 9 -5.558 -0.281 3.742 1.00 0.00 C ATOM 120 C GLY A 9 -6.552 0.656 3.064 1.00 0.00 C ATOM 121 O GLY A 9 -6.982 0.409 1.937 1.00 0.00 O ATOM 0 H GLY A 9 -6.127 -2.000 2.721 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -5.425 0.015 4.783 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -4.584 -0.196 3.259 1.00 0.00 H new ATOM 125 N CYS A 10 -6.939 1.720 3.764 1.00 0.00 N ATOM 126 CA CYS A 10 -7.731 2.799 3.195 1.00 0.00 C ATOM 127 C CYS A 10 -6.934 3.605 2.190 1.00 0.00 C ATOM 128 O CYS A 10 -5.904 4.163 2.555 1.00 0.00 O ATOM 129 CB CYS A 10 -8.194 3.747 4.306 1.00 0.00 C ATOM 130 SG CYS A 10 -9.104 2.938 5.623 1.00 0.00 S ATOM 0 H CYS A 10 -6.708 1.855 4.748 1.00 0.00 H new ATOM 0 HA CYS A 10 -8.585 2.345 2.692 1.00 0.00 H new ATOM 0 HB2 CYS A 10 -7.322 4.244 4.732 1.00 0.00 H new ATOM 0 HB3 CYS A 10 -8.821 4.524 3.869 1.00 0.00 H new ATOM 135 N LEU A 11 -7.456 3.726 0.973 1.00 0.00 N ATOM 136 CA LEU A 11 -6.871 4.568 -0.060 1.00 0.00 C ATOM 137 C LEU A 11 -7.942 5.459 -0.712 1.00 0.00 C ATOM 138 O LEU A 11 -9.141 5.222 -0.539 1.00 0.00 O ATOM 139 CB LEU A 11 -6.105 3.665 -1.053 1.00 0.00 C ATOM 140 CG LEU A 11 -4.757 3.131 -0.514 1.00 0.00 C ATOM 141 CD1 LEU A 11 -4.066 2.281 -1.578 1.00 0.00 C ATOM 142 CD2 LEU A 11 -3.829 4.272 -0.083 1.00 0.00 C ATOM 0 H LEU A 11 -8.302 3.239 0.676 1.00 0.00 H new ATOM 0 HA LEU A 11 -6.150 5.266 0.367 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -6.738 2.819 -1.320 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -5.921 4.226 -1.969 1.00 0.00 H new ATOM 0 HG LEU A 11 -4.971 2.519 0.362 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -3.118 1.910 -1.188 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -4.705 1.438 -1.842 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -3.881 2.887 -2.465 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -2.892 3.858 0.290 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -3.626 4.918 -0.937 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -4.308 4.853 0.705 1.00 0.00 H new ATOM 154 N PRO A 12 -7.542 6.528 -1.419 1.00 0.00 N ATOM 155 CA PRO A 12 -8.456 7.343 -2.214 1.00 0.00 C ATOM 156 C PRO A 12 -8.933 6.570 -3.446 1.00 0.00 C ATOM 157 O PRO A 12 -8.129 5.948 -4.123 1.00 0.00 O ATOM 158 CB PRO A 12 -7.663 8.611 -2.558 1.00 0.00 C ATOM 159 CG PRO A 12 -6.205 8.166 -2.516 1.00 0.00 C ATOM 160 CD PRO A 12 -6.182 7.045 -1.486 1.00 0.00 C ATOM 0 HA PRO A 12 -9.370 7.604 -1.681 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -7.934 8.995 -3.542 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -7.857 9.408 -1.840 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -5.868 7.816 -3.492 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -5.547 8.986 -2.226 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -5.482 6.262 -1.778 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -5.858 7.416 -0.514 1.00 0.00 H new ATOM 168 N GLN A 13 -10.223 6.661 -3.800 1.00 0.00 N ATOM 169 CA GLN A 13 -10.801 6.033 -5.016 1.00 0.00 C ATOM 170 C GLN A 13 -10.077 6.352 -6.340 1.00 0.00 C ATOM 171 O GLN A 13 -10.343 5.702 -7.350 1.00 0.00 O ATOM 172 CB GLN A 13 -12.236 6.524 -5.213 1.00 0.00 C ATOM 173 CG GLN A 13 -13.225 6.018 -4.162 1.00 0.00 C ATOM 174 CD GLN A 13 -14.660 6.435 -4.459 1.00 0.00 C ATOM 175 OE1 GLN A 13 -15.061 6.577 -5.601 1.00 0.00 O ATOM 176 NE2 GLN A 13 -15.498 6.600 -3.459 1.00 0.00 N ATOM 0 H GLN A 13 -10.909 7.177 -3.249 1.00 0.00 H new ATOM 0 HA GLN A 13 -10.711 4.963 -4.826 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -12.239 7.614 -5.203 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -12.582 6.214 -6.199 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -13.170 4.931 -4.110 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -12.935 6.399 -3.183 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -15.175 6.484 -2.498 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -16.471 6.844 -3.644 1.00 0.00 H new ATOM 185 N SER A 14 -9.271 7.420 -6.348 1.00 0.00 N ATOM 186 CA SER A 14 -8.355 7.816 -7.421 1.00 0.00 C ATOM 187 C SER A 14 -7.101 6.928 -7.483 1.00 0.00 C ATOM 188 O SER A 14 -6.704 6.520 -8.567 1.00 0.00 O ATOM 189 CB SER A 14 -7.954 9.283 -7.200 1.00 0.00 C ATOM 190 OG SER A 14 -7.486 9.891 -8.386 1.00 0.00 O ATOM 0 H SER A 14 -9.240 8.067 -5.560 1.00 0.00 H new ATOM 0 HA SER A 14 -8.870 7.694 -8.374 1.00 0.00 H new ATOM 0 HB2 SER A 14 -8.812 9.840 -6.822 1.00 0.00 H new ATOM 0 HB3 SER A 14 -7.178 9.335 -6.436 1.00 0.00 H new ATOM 0 HG SER A 14 -7.243 10.823 -8.202 1.00 0.00 H new ATOM 196 N ASP A 15 -6.471 6.640 -6.339 1.00 0.00 N ATOM 197 CA ASP A 15 -5.328 5.718 -6.229 1.00 0.00 C ATOM 198 C ASP A 15 -5.790 4.250 -6.340 1.00 0.00 C ATOM 199 O ASP A 15 -5.215 3.459 -7.085 1.00 0.00 O ATOM 200 CB ASP A 15 -4.611 5.994 -4.897 1.00 0.00 C ATOM 201 CG ASP A 15 -3.282 5.263 -4.775 1.00 0.00 C ATOM 202 OD1 ASP A 15 -3.360 4.073 -4.418 1.00 0.00 O ATOM 203 OD2 ASP A 15 -2.241 5.916 -5.020 1.00 0.00 O ATOM 0 H ASP A 15 -6.744 7.047 -5.445 1.00 0.00 H new ATOM 0 HA ASP A 15 -4.632 5.885 -7.051 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -4.440 7.066 -4.798 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -5.260 5.697 -4.073 1.00 0.00 H new ATOM 208 N CYS A 16 -6.898 3.909 -5.667 1.00 0.00 N ATOM 209 CA CYS A 16 -7.418 2.549 -5.617 1.00 0.00 C ATOM 210 C CYS A 16 -8.311 2.229 -6.834 1.00 0.00 C ATOM 211 O CYS A 16 -9.368 2.863 -6.989 1.00 0.00 O ATOM 212 CB CYS A 16 -8.211 2.360 -4.322 1.00 0.00 C ATOM 213 SG CYS A 16 -8.609 0.629 -4.020 1.00 0.00 S ATOM 0 H CYS A 16 -7.458 4.580 -5.140 1.00 0.00 H new ATOM 0 HA CYS A 16 -6.573 1.861 -5.644 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -7.634 2.751 -3.484 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -9.132 2.940 -4.373 1.00 0.00 H new ATOM 218 N PRO A 17 -7.967 1.231 -7.673 1.00 0.00 N ATOM 219 CA PRO A 17 -8.750 0.899 -8.857 1.00 0.00 C ATOM 220 C PRO A 17 -10.155 0.422 -8.467 1.00 0.00 C ATOM 221 O PRO A 17 -10.344 -0.251 -7.450 1.00 0.00 O ATOM 222 CB PRO A 17 -7.955 -0.196 -9.582 1.00 0.00 C ATOM 223 CG PRO A 17 -7.167 -0.875 -8.467 1.00 0.00 C ATOM 224 CD PRO A 17 -6.892 0.263 -7.481 1.00 0.00 C ATOM 0 HA PRO A 17 -8.901 1.764 -9.502 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -8.615 -0.899 -10.090 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -7.294 0.225 -10.339 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -7.739 -1.679 -8.003 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -6.242 -1.316 -8.840 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -6.877 -0.105 -6.455 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -5.920 0.717 -7.671 1.00 0.00 H new ATOM 232 N GLN A 18 -11.150 0.698 -9.321 1.00 0.00 N ATOM 233 CA GLN A 18 -12.533 0.209 -9.179 1.00 0.00 C ATOM 234 C GLN A 18 -12.643 -1.304 -8.934 1.00 0.00 C ATOM 235 O GLN A 18 -13.597 -1.723 -8.292 1.00 0.00 O ATOM 236 CB GLN A 18 -13.415 0.612 -10.373 1.00 0.00 C ATOM 237 CG GLN A 18 -12.692 0.602 -11.733 1.00 0.00 C ATOM 238 CD GLN A 18 -12.013 1.925 -12.080 1.00 0.00 C ATOM 239 OE1 GLN A 18 -12.083 2.915 -11.368 1.00 0.00 O ATOM 240 NE2 GLN A 18 -11.296 1.992 -13.175 1.00 0.00 N ATOM 0 H GLN A 18 -11.016 1.280 -10.148 1.00 0.00 H new ATOM 0 HA GLN A 18 -12.903 0.702 -8.280 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -14.267 -0.065 -10.424 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -13.812 1.611 -10.194 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -11.943 -0.190 -11.730 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -13.411 0.358 -12.515 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -11.222 1.179 -13.786 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -10.812 2.857 -13.416 1.00 0.00 H new ATOM 249 N GLU A 19 -11.683 -2.101 -9.412 1.00 0.00 N ATOM 250 CA GLU A 19 -11.617 -3.543 -9.146 1.00 0.00 C ATOM 251 C GLU A 19 -11.211 -3.889 -7.699 1.00 0.00 C ATOM 252 O GLU A 19 -11.682 -4.884 -7.157 1.00 0.00 O ATOM 253 CB GLU A 19 -10.676 -4.209 -10.168 1.00 0.00 C ATOM 254 CG GLU A 19 -9.178 -4.101 -9.837 1.00 0.00 C ATOM 255 CD GLU A 19 -8.331 -4.836 -10.876 1.00 0.00 C ATOM 256 OE1 GLU A 19 -8.509 -6.067 -11.000 1.00 0.00 O ATOM 257 OE2 GLU A 19 -7.542 -4.142 -11.556 1.00 0.00 O ATOM 0 H GLU A 19 -10.922 -1.761 -10.000 1.00 0.00 H new ATOM 0 HA GLU A 19 -12.626 -3.939 -9.260 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -10.940 -5.263 -10.249 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -10.850 -3.761 -11.146 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -8.885 -3.052 -9.801 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -8.990 -4.519 -8.848 1.00 0.00 H new ATOM 264 N ALA A 20 -10.363 -3.060 -7.081 1.00 0.00 N ATOM 265 CA ALA A 20 -9.841 -3.239 -5.729 1.00 0.00 C ATOM 266 C ALA A 20 -10.700 -2.582 -4.652 1.00 0.00 C ATOM 267 O ALA A 20 -10.536 -2.840 -3.461 1.00 0.00 O ATOM 268 CB ALA A 20 -8.480 -2.568 -5.648 1.00 0.00 C ATOM 0 H ALA A 20 -10.010 -2.214 -7.529 1.00 0.00 H new ATOM 0 HA ALA A 20 -9.814 -4.314 -5.549 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -8.073 -2.691 -4.644 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -7.805 -3.025 -6.372 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -8.584 -1.506 -5.870 1.00 0.00 H new ATOM 274 N ARG A 21 -11.570 -1.647 -5.051 1.00 0.00 N ATOM 275 CA ARG A 21 -12.550 -1.029 -4.154 1.00 0.00 C ATOM 276 C ARG A 21 -13.362 -2.082 -3.404 1.00 0.00 C ATOM 277 O ARG A 21 -14.265 -2.702 -3.959 1.00 0.00 O ATOM 278 CB ARG A 21 -13.497 -0.118 -4.925 1.00 0.00 C ATOM 279 CG ARG A 21 -12.775 1.067 -5.558 1.00 0.00 C ATOM 280 CD ARG A 21 -13.824 2.046 -6.071 1.00 0.00 C ATOM 281 NE ARG A 21 -13.220 3.086 -6.917 1.00 0.00 N ATOM 282 CZ ARG A 21 -13.883 3.887 -7.723 1.00 0.00 C ATOM 283 NH1 ARG A 21 -15.187 3.845 -7.805 1.00 0.00 N ATOM 284 NH2 ARG A 21 -13.246 4.748 -8.457 1.00 0.00 N ATOM 0 H ARG A 21 -11.613 -1.297 -6.008 1.00 0.00 H new ATOM 0 HA ARG A 21 -11.991 -0.436 -3.430 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -13.997 -0.694 -5.704 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -14.272 0.249 -4.252 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -12.128 1.552 -4.827 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -12.137 0.731 -6.375 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -14.580 1.506 -6.640 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -14.333 2.512 -5.227 1.00 0.00 H new ATOM 0 HE ARG A 21 -12.207 3.195 -6.876 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -15.713 3.181 -7.237 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -15.679 4.476 -8.437 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -12.229 4.805 -8.410 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -13.763 5.368 -9.081 1.00 0.00 H new ATOM 298 N LEU A 22 -13.073 -2.254 -2.119 1.00 0.00 N ATOM 299 CA LEU A 22 -13.770 -3.212 -1.282 1.00 0.00 C ATOM 300 C LEU A 22 -15.066 -2.616 -0.718 1.00 0.00 C ATOM 301 O LEU A 22 -15.263 -1.403 -0.655 1.00 0.00 O ATOM 302 CB LEU A 22 -12.854 -3.670 -0.139 1.00 0.00 C ATOM 303 CG LEU A 22 -11.483 -4.220 -0.556 1.00 0.00 C ATOM 304 CD1 LEU A 22 -10.600 -4.450 0.664 1.00 0.00 C ATOM 305 CD2 LEU A 22 -11.684 -5.541 -1.295 1.00 0.00 C ATOM 0 H LEU A 22 -12.347 -1.730 -1.631 1.00 0.00 H new ATOM 0 HA LEU A 22 -14.037 -4.072 -1.896 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -12.696 -2.827 0.534 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -13.374 -4.440 0.431 1.00 0.00 H new ATOM 0 HG LEU A 22 -10.992 -3.495 -1.205 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -9.633 -4.840 0.345 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -10.455 -3.507 1.191 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -11.079 -5.168 1.330 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -10.716 -5.941 -1.596 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -12.182 -6.254 -0.638 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -12.298 -5.373 -2.180 1.00 0.00 H new ATOM 317 N SER A 23 -15.891 -3.496 -0.164 1.00 0.00 N ATOM 318 CA SER A 23 -17.189 -3.190 0.445 1.00 0.00 C ATOM 319 C SER A 23 -17.221 -3.507 1.939 1.00 0.00 C ATOM 320 O SER A 23 -18.285 -3.624 2.531 1.00 0.00 O ATOM 321 CB SER A 23 -18.290 -3.936 -0.310 1.00 0.00 C ATOM 322 OG SER A 23 -17.971 -5.317 -0.371 1.00 0.00 O ATOM 0 H SER A 23 -15.667 -4.490 -0.123 1.00 0.00 H new ATOM 0 HA SER A 23 -17.361 -2.117 0.363 1.00 0.00 H new ATOM 0 HB2 SER A 23 -19.248 -3.795 0.190 1.00 0.00 H new ATOM 0 HB3 SER A 23 -18.394 -3.531 -1.317 1.00 0.00 H new ATOM 0 HG SER A 23 -18.678 -5.795 -0.853 1.00 0.00 H new ATOM 328 N TYR A 24 -16.054 -3.644 2.572 1.00 0.00 N ATOM 329 CA TYR A 24 -15.954 -3.845 4.022 1.00 0.00 C ATOM 330 C TYR A 24 -16.407 -2.625 4.841 1.00 0.00 C ATOM 331 O TYR A 24 -16.491 -2.718 6.046 1.00 0.00 O ATOM 332 CB TYR A 24 -14.509 -4.200 4.363 1.00 0.00 C ATOM 333 CG TYR A 24 -14.112 -5.606 4.040 1.00 0.00 C ATOM 334 CD1 TYR A 24 -14.519 -6.663 4.865 1.00 0.00 C ATOM 335 CD2 TYR A 24 -13.318 -5.844 2.911 1.00 0.00 C ATOM 336 CE1 TYR A 24 -14.162 -7.978 4.528 1.00 0.00 C ATOM 337 CE2 TYR A 24 -12.993 -7.154 2.541 1.00 0.00 C ATOM 338 CZ TYR A 24 -13.401 -8.225 3.361 1.00 0.00 C ATOM 339 OH TYR A 24 -12.946 -9.480 3.112 1.00 0.00 O ATOM 0 H TYR A 24 -15.152 -3.619 2.096 1.00 0.00 H new ATOM 0 HA TYR A 24 -16.632 -4.655 4.292 1.00 0.00 H new ATOM 0 HB2 TYR A 24 -13.847 -3.519 3.828 1.00 0.00 H new ATOM 0 HB3 TYR A 24 -14.350 -4.028 5.428 1.00 0.00 H new ATOM 0 HD1 TYR A 24 -15.102 -6.468 5.753 1.00 0.00 H new ATOM 0 HD2 TYR A 24 -12.955 -5.013 2.324 1.00 0.00 H new ATOM 0 HE1 TYR A 24 -14.468 -8.800 5.158 1.00 0.00 H new ATOM 0 HE2 TYR A 24 -12.435 -7.342 1.636 1.00 0.00 H new ATOM 0 HH TYR A 24 -12.442 -9.484 2.272 1.00 0.00 H new ATOM 349 N GLY A 25 -16.662 -1.467 4.234 1.00 0.00 N ATOM 350 CA GLY A 25 -17.206 -0.282 4.918 1.00 0.00 C ATOM 351 C GLY A 25 -16.358 0.166 6.105 1.00 0.00 C ATOM 352 O GLY A 25 -16.817 0.259 7.239 1.00 0.00 O ATOM 0 H GLY A 25 -16.496 -1.318 3.239 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -17.284 0.538 4.204 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -18.216 -0.501 5.263 1.00 0.00 H new ATOM 356 N GLY A 26 -15.084 0.452 5.841 1.00 0.00 N ATOM 357 CA GLY A 26 -14.125 0.734 6.900 1.00 0.00 C ATOM 358 C GLY A 26 -13.040 1.732 6.551 1.00 0.00 C ATOM 359 O GLY A 26 -11.998 1.720 7.196 1.00 0.00 O ATOM 0 H GLY A 26 -14.694 0.494 4.899 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -14.669 1.104 7.769 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -13.651 -0.202 7.196 1.00 0.00 H new ATOM 363 N CYS A 27 -13.295 2.596 5.572 1.00 0.00 N ATOM 364 CA CYS A 27 -12.370 3.634 5.133 1.00 0.00 C ATOM 365 C CYS A 27 -13.110 4.922 4.795 1.00 0.00 C ATOM 366 O CYS A 27 -14.195 4.875 4.227 1.00 0.00 O ATOM 367 CB CYS A 27 -11.602 3.108 3.928 1.00 0.00 C ATOM 368 SG CYS A 27 -10.372 1.896 4.463 1.00 0.00 S ATOM 0 H CYS A 27 -14.172 2.593 5.050 1.00 0.00 H new ATOM 0 HA CYS A 27 -11.674 3.873 5.937 1.00 0.00 H new ATOM 0 HB2 CYS A 27 -12.291 2.651 3.218 1.00 0.00 H new ATOM 0 HB3 CYS A 27 -11.112 3.932 3.410 1.00 0.00 H new ATOM 373 N SER A 28 -12.486 6.063 5.108 1.00 0.00 N ATOM 374 CA SER A 28 -13.027 7.411 4.867 1.00 0.00 C ATOM 375 C SER A 28 -13.527 7.619 3.429 1.00 0.00 C ATOM 376 O SER A 28 -14.589 8.185 3.213 1.00 0.00 O ATOM 377 CB SER A 28 -11.933 8.442 5.167 1.00 0.00 C ATOM 378 OG SER A 28 -11.705 8.566 6.556 1.00 0.00 O ATOM 0 H SER A 28 -11.566 6.078 5.548 1.00 0.00 H new ATOM 0 HA SER A 28 -13.888 7.534 5.524 1.00 0.00 H new ATOM 0 HB2 SER A 28 -11.008 8.148 4.670 1.00 0.00 H new ATOM 0 HB3 SER A 28 -12.221 9.410 4.757 1.00 0.00 H new ATOM 0 HG SER A 28 -11.001 9.229 6.714 1.00 0.00 H new ATOM 384 N THR A 29 -12.746 7.154 2.452 1.00 0.00 N ATOM 385 CA THR A 29 -13.019 7.218 1.008 1.00 0.00 C ATOM 386 C THR A 29 -13.332 5.826 0.460 1.00 0.00 C ATOM 387 O THR A 29 -14.484 5.546 0.130 1.00 0.00 O ATOM 388 CB THR A 29 -11.869 7.924 0.253 1.00 0.00 C ATOM 389 OG1 THR A 29 -11.794 7.525 -1.103 1.00 0.00 O ATOM 390 CG2 THR A 29 -10.503 7.728 0.932 1.00 0.00 C ATOM 0 H THR A 29 -11.857 6.697 2.654 1.00 0.00 H new ATOM 0 HA THR A 29 -13.907 7.828 0.843 1.00 0.00 H new ATOM 0 HB THR A 29 -12.111 8.986 0.288 1.00 0.00 H new ATOM 0 HG1 THR A 29 -11.440 8.263 -1.642 1.00 0.00 H new ATOM 0 HG21 THR A 29 -9.734 8.245 0.358 1.00 0.00 H new ATOM 0 HG22 THR A 29 -10.537 8.135 1.943 1.00 0.00 H new ATOM 0 HG23 THR A 29 -10.268 6.665 0.977 1.00 0.00 H new ATOM 398 N VAL A 30 -12.327 4.955 0.323 1.00 0.00 N ATOM 399 CA VAL A 30 -12.501 3.575 -0.131 1.00 0.00 C ATOM 400 C VAL A 30 -11.467 2.649 0.517 1.00 0.00 C ATOM 401 O VAL A 30 -10.399 3.076 0.959 1.00 0.00 O ATOM 402 CB VAL A 30 -12.505 3.546 -1.667 1.00 0.00 C ATOM 403 CG1 VAL A 30 -11.150 3.775 -2.330 1.00 0.00 C ATOM 404 CG2 VAL A 30 -13.097 2.287 -2.266 1.00 0.00 C ATOM 0 H VAL A 30 -11.357 5.194 0.528 1.00 0.00 H new ATOM 0 HA VAL A 30 -13.466 3.185 0.194 1.00 0.00 H new ATOM 0 HB VAL A 30 -13.148 4.398 -1.886 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -11.264 3.735 -3.413 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -10.764 4.753 -2.042 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -10.453 3.001 -2.009 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -13.061 2.350 -3.354 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -12.524 1.421 -1.933 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -14.133 2.183 -1.943 1.00 0.00 H new ATOM 414 N CYS A 31 -11.803 1.371 0.641 1.00 0.00 N ATOM 415 CA CYS A 31 -10.862 0.343 1.078 1.00 0.00 C ATOM 416 C CYS A 31 -10.193 -0.260 -0.163 1.00 0.00 C ATOM 417 O CYS A 31 -10.906 -0.593 -1.109 1.00 0.00 O ATOM 418 CB CYS A 31 -11.635 -0.726 1.859 1.00 0.00 C ATOM 419 SG CYS A 31 -12.328 -0.235 3.463 1.00 0.00 S ATOM 0 H CYS A 31 -12.738 1.016 0.441 1.00 0.00 H new ATOM 0 HA CYS A 31 -10.092 0.761 1.726 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -12.453 -1.080 1.231 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -10.969 -1.573 2.023 1.00 0.00 H new ATOM 424 N CYS A 32 -8.869 -0.422 -0.142 1.00 0.00 N ATOM 425 CA CYS A 32 -8.096 -1.101 -1.180 1.00 0.00 C ATOM 426 C CYS A 32 -7.542 -2.448 -0.697 1.00 0.00 C ATOM 427 O CYS A 32 -7.075 -2.593 0.442 1.00 0.00 O ATOM 428 CB CYS A 32 -6.968 -0.173 -1.642 1.00 0.00 C ATOM 429 SG CYS A 32 -6.811 -0.122 -3.434 1.00 0.00 S ATOM 0 H CYS A 32 -8.289 -0.073 0.621 1.00 0.00 H new ATOM 0 HA CYS A 32 -8.755 -1.324 -2.019 1.00 0.00 H new ATOM 0 HB2 CYS A 32 -7.153 0.834 -1.268 1.00 0.00 H new ATOM 0 HB3 CYS A 32 -6.026 -0.506 -1.207 1.00 0.00 H new ATOM 434 N ASP A 33 -7.603 -3.457 -1.562 1.00 0.00 N ATOM 435 CA ASP A 33 -7.103 -4.792 -1.273 1.00 0.00 C ATOM 436 C ASP A 33 -5.597 -4.955 -1.457 1.00 0.00 C ATOM 437 O ASP A 33 -5.091 -5.313 -2.512 1.00 0.00 O ATOM 438 CB ASP A 33 -7.873 -5.878 -2.006 1.00 0.00 C ATOM 439 CG ASP A 33 -8.445 -5.467 -3.348 1.00 0.00 C ATOM 440 OD1 ASP A 33 -7.671 -5.060 -4.227 1.00 0.00 O ATOM 441 OD2 ASP A 33 -9.667 -5.674 -3.485 1.00 0.00 O ATOM 0 H ASP A 33 -8.007 -3.366 -2.494 1.00 0.00 H new ATOM 0 HA ASP A 33 -7.285 -4.920 -0.206 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -7.212 -6.732 -2.156 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -8.690 -6.216 -1.368 1.00 0.00 H new ATOM 446 N LEU A 34 -4.858 -4.826 -0.358 1.00 0.00 N ATOM 447 CA LEU A 34 -3.407 -5.013 -0.370 1.00 0.00 C ATOM 448 C LEU A 34 -3.042 -6.457 -0.758 1.00 0.00 C ATOM 449 O LEU A 34 -2.068 -6.701 -1.446 1.00 0.00 O ATOM 450 CB LEU A 34 -2.832 -4.675 1.015 1.00 0.00 C ATOM 451 CG LEU A 34 -3.320 -3.347 1.627 1.00 0.00 C ATOM 452 CD1 LEU A 34 -3.137 -3.451 3.134 1.00 0.00 C ATOM 453 CD2 LEU A 34 -2.564 -2.135 1.102 1.00 0.00 C ATOM 0 H LEU A 34 -5.242 -4.591 0.558 1.00 0.00 H new ATOM 0 HA LEU A 34 -2.976 -4.344 -1.115 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -3.081 -5.485 1.701 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -1.745 -4.644 0.941 1.00 0.00 H new ATOM 0 HG LEU A 34 -4.363 -3.198 1.349 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -3.472 -2.527 3.606 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -3.724 -4.287 3.515 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -2.084 -3.614 3.362 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -2.954 -1.232 1.571 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -1.505 -2.237 1.337 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -2.691 -2.067 0.022 1.00 0.00 H new ATOM 465 N SER A 35 -3.815 -7.454 -0.316 1.00 0.00 N ATOM 466 CA SER A 35 -3.521 -8.852 -0.662 1.00 0.00 C ATOM 467 C SER A 35 -3.687 -9.154 -2.157 1.00 0.00 C ATOM 468 O SER A 35 -2.924 -9.950 -2.694 1.00 0.00 O ATOM 469 CB SER A 35 -4.370 -9.807 0.180 1.00 0.00 C ATOM 470 OG SER A 35 -5.735 -9.797 -0.201 1.00 0.00 O ATOM 0 H SER A 35 -4.637 -7.325 0.273 1.00 0.00 H new ATOM 0 HA SER A 35 -2.468 -9.011 -0.432 1.00 0.00 H new ATOM 0 HB2 SER A 35 -3.976 -10.819 0.084 1.00 0.00 H new ATOM 0 HB3 SER A 35 -4.287 -9.531 1.231 1.00 0.00 H new ATOM 0 HG SER A 35 -6.237 -10.422 0.363 1.00 0.00 H new ATOM 476 N LYS A 36 -4.685 -8.541 -2.812 1.00 0.00 N ATOM 477 CA LYS A 36 -4.966 -8.672 -4.246 1.00 0.00 C ATOM 478 C LYS A 36 -4.068 -7.792 -5.124 1.00 0.00 C ATOM 479 O LYS A 36 -3.703 -8.224 -6.210 1.00 0.00 O ATOM 480 CB LYS A 36 -6.440 -8.351 -4.528 1.00 0.00 C ATOM 481 CG LYS A 36 -7.414 -9.298 -3.791 1.00 0.00 C ATOM 482 CD LYS A 36 -8.736 -9.503 -4.553 1.00 0.00 C ATOM 483 CE LYS A 36 -9.746 -8.400 -4.269 1.00 0.00 C ATOM 484 NZ LYS A 36 -10.589 -8.638 -3.073 1.00 0.00 N ATOM 0 H LYS A 36 -5.340 -7.919 -2.339 1.00 0.00 H new ATOM 0 HA LYS A 36 -4.748 -9.707 -4.508 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -6.646 -7.323 -4.230 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -6.622 -8.415 -5.601 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -6.932 -10.264 -3.642 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -7.629 -8.893 -2.802 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -8.533 -9.540 -5.623 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -9.166 -10.466 -4.277 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -9.212 -7.458 -4.141 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -10.393 -8.284 -5.138 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -11.248 -7.843 -2.949 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -11.128 -9.519 -3.198 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -9.983 -8.719 -2.232 1.00 0.00 H new ATOM 498 N LEU A 37 -3.717 -6.594 -4.656 1.00 0.00 N ATOM 499 CA LEU A 37 -2.837 -5.653 -5.347 1.00 0.00 C ATOM 500 C LEU A 37 -1.376 -5.891 -4.956 1.00 0.00 C ATOM 501 O LEU A 37 -0.580 -6.431 -5.720 1.00 0.00 O ATOM 502 CB LEU A 37 -3.270 -4.213 -5.012 1.00 0.00 C ATOM 503 CG LEU A 37 -4.670 -3.836 -5.521 1.00 0.00 C ATOM 504 CD1 LEU A 37 -5.031 -2.496 -4.893 1.00 0.00 C ATOM 505 CD2 LEU A 37 -4.725 -3.726 -7.042 1.00 0.00 C ATOM 0 H LEU A 37 -4.048 -6.241 -3.758 1.00 0.00 H new ATOM 0 HA LEU A 37 -2.918 -5.807 -6.423 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -3.242 -4.081 -3.930 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -2.544 -3.520 -5.437 1.00 0.00 H new ATOM 0 HG LEU A 37 -5.376 -4.618 -5.241 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -6.022 -2.191 -5.230 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -5.030 -2.591 -3.807 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -4.299 -1.745 -5.192 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -5.735 -3.458 -7.351 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -4.027 -2.958 -7.377 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -4.452 -4.683 -7.486 1.00 0.00 H new ATOM 517 N THR A 38 -1.010 -5.453 -3.753 1.00 0.00 N ATOM 518 CA THR A 38 0.341 -5.527 -3.211 1.00 0.00 C ATOM 519 C THR A 38 0.376 -5.368 -1.687 1.00 0.00 C ATOM 520 O THR A 38 -0.260 -4.496 -1.091 1.00 0.00 O ATOM 521 CB THR A 38 1.209 -4.450 -3.857 1.00 0.00 C ATOM 522 OG1 THR A 38 2.497 -4.570 -3.295 1.00 0.00 O ATOM 523 CG2 THR A 38 0.660 -3.042 -3.631 1.00 0.00 C ATOM 0 H THR A 38 -1.672 -5.022 -3.107 1.00 0.00 H new ATOM 0 HA THR A 38 0.728 -6.520 -3.441 1.00 0.00 H new ATOM 0 HB THR A 38 1.225 -4.596 -4.937 1.00 0.00 H new ATOM 0 HG1 THR A 38 2.869 -3.677 -3.135 1.00 0.00 H new ATOM 0 HG21 THR A 38 1.315 -2.315 -4.111 1.00 0.00 H new ATOM 0 HG22 THR A 38 -0.340 -2.968 -4.059 1.00 0.00 H new ATOM 0 HG23 THR A 38 0.613 -2.837 -2.561 1.00 0.00 H new ATOM 531 N GLY A 39 1.209 -6.168 -1.030 1.00 0.00 N ATOM 532 CA GLY A 39 1.357 -6.190 0.422 1.00 0.00 C ATOM 533 C GLY A 39 2.723 -5.694 0.871 1.00 0.00 C ATOM 534 O GLY A 39 3.360 -6.385 1.662 1.00 0.00 O ATOM 0 H GLY A 39 1.816 -6.837 -1.504 1.00 0.00 H new ATOM 0 HA2 GLY A 39 0.582 -5.571 0.873 1.00 0.00 H new ATOM 0 HA3 GLY A 39 1.205 -7.206 0.785 1.00 0.00 H new ATOM 538 N CYS A 40 3.145 -4.496 0.424 1.00 0.00 N ATOM 539 CA CYS A 40 4.450 -3.895 0.770 1.00 0.00 C ATOM 540 C CYS A 40 4.689 -3.980 2.279 1.00 0.00 C ATOM 541 O CYS A 40 5.555 -4.712 2.753 1.00 0.00 O ATOM 542 CB CYS A 40 4.574 -2.427 0.307 1.00 0.00 C ATOM 543 SG CYS A 40 6.290 -1.837 0.392 1.00 0.00 S ATOM 0 H CYS A 40 2.584 -3.910 -0.195 1.00 0.00 H new ATOM 0 HA CYS A 40 5.209 -4.469 0.239 1.00 0.00 H new ATOM 0 HB2 CYS A 40 4.208 -2.336 -0.716 1.00 0.00 H new ATOM 0 HB3 CYS A 40 3.941 -1.795 0.929 1.00 0.00 H new ATOM 548 N LYS A 41 3.784 -3.358 3.048 1.00 0.00 N ATOM 549 CA LYS A 41 3.777 -3.402 4.518 1.00 0.00 C ATOM 550 C LYS A 41 3.844 -4.818 5.097 1.00 0.00 C ATOM 551 O LYS A 41 4.397 -5.034 6.166 1.00 0.00 O ATOM 552 CB LYS A 41 2.584 -2.589 5.051 1.00 0.00 C ATOM 553 CG LYS A 41 1.217 -3.284 4.871 1.00 0.00 C ATOM 554 CD LYS A 41 0.840 -4.221 6.036 1.00 0.00 C ATOM 555 CE LYS A 41 0.384 -3.432 7.264 1.00 0.00 C ATOM 556 NZ LYS A 41 0.190 -4.336 8.425 1.00 0.00 N ATOM 0 H LYS A 41 3.023 -2.801 2.660 1.00 0.00 H new ATOM 0 HA LYS A 41 4.699 -2.937 4.867 1.00 0.00 H new ATOM 0 HB2 LYS A 41 2.740 -2.387 6.111 1.00 0.00 H new ATOM 0 HB3 LYS A 41 2.559 -1.625 4.543 1.00 0.00 H new ATOM 0 HG2 LYS A 41 0.444 -2.523 4.764 1.00 0.00 H new ATOM 0 HG3 LYS A 41 1.230 -3.858 3.944 1.00 0.00 H new ATOM 0 HD2 LYS A 41 0.044 -4.895 5.719 1.00 0.00 H new ATOM 0 HD3 LYS A 41 1.697 -4.841 6.298 1.00 0.00 H new ATOM 0 HE2 LYS A 41 1.125 -2.671 7.509 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -0.547 -2.911 7.043 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -0.119 -3.782 9.249 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -0.533 -5.047 8.194 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 1.087 -4.814 8.647 1.00 0.00 H new ATOM 570 N GLY A 42 3.217 -5.781 4.420 1.00 0.00 N ATOM 571 CA GLY A 42 3.145 -7.178 4.841 1.00 0.00 C ATOM 572 C GLY A 42 4.482 -7.896 4.689 1.00 0.00 C ATOM 573 O GLY A 42 4.852 -8.685 5.550 1.00 0.00 O ATOM 0 H GLY A 42 2.733 -5.604 3.540 1.00 0.00 H new ATOM 0 HA2 GLY A 42 2.825 -7.226 5.882 1.00 0.00 H new ATOM 0 HA3 GLY A 42 2.388 -7.695 4.251 1.00 0.00 H new ATOM 577 N LYS A 43 5.227 -7.584 3.623 1.00 0.00 N ATOM 578 CA LYS A 43 6.586 -8.083 3.366 1.00 0.00 C ATOM 579 C LYS A 43 7.682 -7.333 4.147 1.00 0.00 C ATOM 580 O LYS A 43 8.850 -7.596 3.887 1.00 0.00 O ATOM 581 CB LYS A 43 6.860 -8.053 1.851 1.00 0.00 C ATOM 582 CG LYS A 43 5.907 -8.962 1.049 1.00 0.00 C ATOM 583 CD LYS A 43 5.945 -8.692 -0.461 1.00 0.00 C ATOM 584 CE LYS A 43 7.132 -9.315 -1.202 1.00 0.00 C ATOM 585 NZ LYS A 43 8.403 -8.629 -0.871 1.00 0.00 N ATOM 0 H LYS A 43 4.892 -6.958 2.891 1.00 0.00 H new ATOM 0 HA LYS A 43 6.628 -9.109 3.732 1.00 0.00 H new ATOM 0 HB2 LYS A 43 6.766 -7.029 1.490 1.00 0.00 H new ATOM 0 HB3 LYS A 43 7.889 -8.362 1.667 1.00 0.00 H new ATOM 0 HG2 LYS A 43 6.169 -10.004 1.232 1.00 0.00 H new ATOM 0 HG3 LYS A 43 4.889 -8.821 1.412 1.00 0.00 H new ATOM 0 HD2 LYS A 43 5.022 -9.066 -0.905 1.00 0.00 H new ATOM 0 HD3 LYS A 43 5.961 -7.614 -0.621 1.00 0.00 H new ATOM 0 HE2 LYS A 43 7.210 -10.371 -0.943 1.00 0.00 H new ATOM 0 HE3 LYS A 43 6.959 -9.262 -2.277 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 9.030 -8.641 -1.701 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 8.206 -7.644 -0.600 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 8.866 -9.119 -0.080 1.00 0.00 H new ATOM 599 N GLY A 44 7.322 -6.445 5.081 1.00 0.00 N ATOM 600 CA GLY A 44 8.251 -5.620 5.870 1.00 0.00 C ATOM 601 C GLY A 44 8.610 -4.281 5.214 1.00 0.00 C ATOM 602 O GLY A 44 9.649 -3.701 5.519 1.00 0.00 O ATOM 0 H GLY A 44 6.345 -6.274 5.318 1.00 0.00 H new ATOM 0 HA2 GLY A 44 7.808 -5.427 6.847 1.00 0.00 H new ATOM 0 HA3 GLY A 44 9.167 -6.186 6.041 1.00 0.00 H new ATOM 606 N GLY A 45 7.789 -3.835 4.263 1.00 0.00 N ATOM 607 CA GLY A 45 7.955 -2.589 3.530 1.00 0.00 C ATOM 608 C GLY A 45 7.402 -1.384 4.282 1.00 0.00 C ATOM 609 O GLY A 45 6.413 -1.475 5.007 1.00 0.00 O ATOM 0 H GLY A 45 6.960 -4.355 3.974 1.00 0.00 H new ATOM 0 HA2 GLY A 45 9.014 -2.430 3.327 1.00 0.00 H new ATOM 0 HA3 GLY A 45 7.454 -2.671 2.565 1.00 0.00 H new ATOM 613 N GLU A 46 7.998 -0.227 4.050 1.00 0.00 N ATOM 614 CA GLU A 46 7.624 1.038 4.672 1.00 0.00 C ATOM 615 C GLU A 46 7.709 2.176 3.654 1.00 0.00 C ATOM 616 O GLU A 46 8.590 2.188 2.792 1.00 0.00 O ATOM 617 CB GLU A 46 8.545 1.287 5.875 1.00 0.00 C ATOM 618 CG GLU A 46 8.216 2.602 6.590 1.00 0.00 C ATOM 619 CD GLU A 46 9.085 2.788 7.832 1.00 0.00 C ATOM 620 OE1 GLU A 46 10.311 2.987 7.642 1.00 0.00 O ATOM 621 OE2 GLU A 46 8.510 2.760 8.942 1.00 0.00 O ATOM 0 H GLU A 46 8.781 -0.136 3.403 1.00 0.00 H new ATOM 0 HA GLU A 46 6.592 0.994 5.021 1.00 0.00 H new ATOM 0 HB2 GLU A 46 8.453 0.460 6.579 1.00 0.00 H new ATOM 0 HB3 GLU A 46 9.582 1.307 5.539 1.00 0.00 H new ATOM 0 HG2 GLU A 46 8.369 3.438 5.908 1.00 0.00 H new ATOM 0 HG3 GLU A 46 7.164 2.611 6.874 1.00 0.00 H new ATOM 628 N CYS A 47 6.805 3.151 3.784 1.00 0.00 N ATOM 629 CA CYS A 47 6.805 4.362 2.973 1.00 0.00 C ATOM 630 C CYS A 47 7.953 5.301 3.349 1.00 0.00 C ATOM 631 O CYS A 47 7.991 5.857 4.447 1.00 0.00 O ATOM 632 CB CYS A 47 5.455 5.075 3.079 1.00 0.00 C ATOM 633 SG CYS A 47 4.095 4.127 2.340 1.00 0.00 S ATOM 0 H CYS A 47 6.046 3.117 4.464 1.00 0.00 H new ATOM 0 HA CYS A 47 6.962 4.066 1.936 1.00 0.00 H new ATOM 0 HB2 CYS A 47 5.231 5.264 4.129 1.00 0.00 H new ATOM 0 HB3 CYS A 47 5.523 6.046 2.588 1.00 0.00 H new ATOM 638 N ASN A 48 8.883 5.489 2.419 1.00 0.00 N ATOM 639 CA ASN A 48 10.051 6.341 2.591 1.00 0.00 C ATOM 640 C ASN A 48 10.025 7.500 1.588 1.00 0.00 C ATOM 641 O ASN A 48 9.575 7.354 0.441 1.00 0.00 O ATOM 642 CB ASN A 48 11.365 5.543 2.493 1.00 0.00 C ATOM 643 CG ASN A 48 11.133 4.070 2.598 1.00 0.00 C ATOM 644 OD1 ASN A 48 10.885 3.459 1.585 1.00 0.00 O ATOM 645 ND2 ASN A 48 11.170 3.509 3.784 1.00 0.00 N ATOM 0 H ASN A 48 8.843 5.042 1.503 1.00 0.00 H new ATOM 0 HA ASN A 48 10.010 6.759 3.597 1.00 0.00 H new ATOM 0 HB2 ASN A 48 11.855 5.766 1.546 1.00 0.00 H new ATOM 0 HB3 ASN A 48 12.043 5.861 3.285 1.00 0.00 H new ATOM 0 HD21 ASN A 48 10.984 2.511 3.882 1.00 0.00 H new ATOM 0 HD22 ASN A 48 11.385 4.071 4.608 1.00 0.00 H new ATOM 652 N PRO A 49 10.587 8.651 1.990 1.00 0.00 N ATOM 653 CA PRO A 49 10.664 9.810 1.121 1.00 0.00 C ATOM 654 C PRO A 49 11.619 9.543 -0.043 1.00 0.00 C ATOM 655 O PRO A 49 12.599 8.818 0.100 1.00 0.00 O ATOM 656 CB PRO A 49 11.155 10.949 2.022 1.00 0.00 C ATOM 657 CG PRO A 49 11.937 10.247 3.131 1.00 0.00 C ATOM 658 CD PRO A 49 11.232 8.902 3.271 1.00 0.00 C ATOM 0 HA PRO A 49 9.706 10.058 0.664 1.00 0.00 H new ATOM 0 HB2 PRO A 49 11.786 11.647 1.472 1.00 0.00 H new ATOM 0 HB3 PRO A 49 10.321 11.523 2.426 1.00 0.00 H new ATOM 0 HG2 PRO A 49 12.987 10.124 2.865 1.00 0.00 H new ATOM 0 HG3 PRO A 49 11.909 10.813 4.062 1.00 0.00 H new ATOM 0 HD2 PRO A 49 11.943 8.112 3.511 1.00 0.00 H new ATOM 0 HD3 PRO A 49 10.500 8.928 4.078 1.00 0.00 H new ATOM 666 N LEU A 50 11.392 10.215 -1.173 1.00 0.00 N ATOM 667 CA LEU A 50 12.275 10.159 -2.349 1.00 0.00 C ATOM 668 C LEU A 50 13.716 10.646 -2.097 1.00 0.00 C ATOM 669 O LEU A 50 14.606 10.333 -2.879 1.00 0.00 O ATOM 670 CB LEU A 50 11.663 10.973 -3.500 1.00 0.00 C ATOM 671 CG LEU A 50 10.237 10.575 -3.917 1.00 0.00 C ATOM 672 CD1 LEU A 50 9.814 11.448 -5.096 1.00 0.00 C ATOM 673 CD2 LEU A 50 10.143 9.101 -4.304 1.00 0.00 C ATOM 0 H LEU A 50 10.582 10.821 -1.303 1.00 0.00 H new ATOM 0 HA LEU A 50 12.351 9.102 -2.605 1.00 0.00 H new ATOM 0 HB2 LEU A 50 11.657 12.025 -3.213 1.00 0.00 H new ATOM 0 HB3 LEU A 50 12.314 10.883 -4.370 1.00 0.00 H new ATOM 0 HG LEU A 50 9.573 10.727 -3.066 1.00 0.00 H new ATOM 0 HD11 LEU A 50 8.804 11.178 -5.404 1.00 0.00 H new ATOM 0 HD12 LEU A 50 9.835 12.496 -4.798 1.00 0.00 H new ATOM 0 HD13 LEU A 50 10.501 11.293 -5.928 1.00 0.00 H new ATOM 0 HD21 LEU A 50 9.118 8.865 -4.591 1.00 0.00 H new ATOM 0 HD22 LEU A 50 10.810 8.902 -5.143 1.00 0.00 H new ATOM 0 HD23 LEU A 50 10.433 8.483 -3.455 1.00 0.00 H new ATOM 685 N ASP A 51 13.929 11.398 -1.016 1.00 0.00 N ATOM 686 CA ASP A 51 15.238 11.823 -0.503 1.00 0.00 C ATOM 687 C ASP A 51 15.997 10.687 0.219 1.00 0.00 C ATOM 688 O ASP A 51 17.227 10.662 0.267 1.00 0.00 O ATOM 689 CB ASP A 51 14.963 13.014 0.430 1.00 0.00 C ATOM 690 CG ASP A 51 16.178 13.422 1.260 1.00 0.00 C ATOM 691 OD1 ASP A 51 17.133 13.952 0.658 1.00 0.00 O ATOM 692 OD2 ASP A 51 16.094 13.212 2.492 1.00 0.00 O ATOM 0 H ASP A 51 13.158 11.745 -0.445 1.00 0.00 H new ATOM 0 HA ASP A 51 15.895 12.107 -1.325 1.00 0.00 H new ATOM 0 HB2 ASP A 51 14.636 13.866 -0.166 1.00 0.00 H new ATOM 0 HB3 ASP A 51 14.142 12.760 1.100 1.00 0.00 H new ATOM 697 N ARG A 52 15.286 9.677 0.740 1.00 0.00 N ATOM 698 CA ARG A 52 15.920 8.537 1.405 1.00 0.00 C ATOM 699 C ARG A 52 16.481 7.556 0.373 1.00 0.00 C ATOM 700 O ARG A 52 15.854 7.244 -0.637 1.00 0.00 O ATOM 701 CB ARG A 52 14.913 7.865 2.353 1.00 0.00 C ATOM 702 CG ARG A 52 15.529 6.775 3.238 1.00 0.00 C ATOM 703 CD ARG A 52 16.361 7.366 4.393 1.00 0.00 C ATOM 704 NE ARG A 52 15.535 7.620 5.593 1.00 0.00 N ATOM 705 CZ ARG A 52 14.973 6.705 6.369 1.00 0.00 C ATOM 706 NH1 ARG A 52 15.135 5.428 6.150 1.00 0.00 N ATOM 707 NH2 ARG A 52 14.219 7.051 7.373 1.00 0.00 N ATOM 0 H ARG A 52 14.267 9.629 0.712 1.00 0.00 H new ATOM 0 HA ARG A 52 16.762 8.887 2.003 1.00 0.00 H new ATOM 0 HB2 ARG A 52 14.464 8.627 2.990 1.00 0.00 H new ATOM 0 HB3 ARG A 52 14.108 7.428 1.762 1.00 0.00 H new ATOM 0 HG2 ARG A 52 14.735 6.149 3.647 1.00 0.00 H new ATOM 0 HG3 ARG A 52 16.162 6.130 2.629 1.00 0.00 H new ATOM 0 HD2 ARG A 52 17.169 6.680 4.647 1.00 0.00 H new ATOM 0 HD3 ARG A 52 16.824 8.297 4.067 1.00 0.00 H new ATOM 0 HE ARG A 52 15.383 8.596 5.848 1.00 0.00 H new ATOM 0 HH11 ARG A 52 15.706 5.114 5.365 1.00 0.00 H new ATOM 0 HH12 ARG A 52 14.691 4.745 6.763 1.00 0.00 H new ATOM 0 HH21 ARG A 52 14.054 8.038 7.571 1.00 0.00 H new ATOM 0 HH22 ARG A 52 13.793 6.335 7.962 1.00 0.00 H new ATOM 721 N GLN A 53 17.630 6.972 0.705 1.00 0.00 N ATOM 722 CA GLN A 53 18.256 5.892 -0.048 1.00 0.00 C ATOM 723 C GLN A 53 18.038 4.539 0.632 1.00 0.00 C ATOM 724 O GLN A 53 18.413 4.341 1.787 1.00 0.00 O ATOM 725 CB GLN A 53 19.747 6.185 -0.220 1.00 0.00 C ATOM 726 CG GLN A 53 19.961 7.393 -1.144 1.00 0.00 C ATOM 727 CD GLN A 53 21.285 7.294 -1.891 1.00 0.00 C ATOM 728 OE1 GLN A 53 22.319 6.934 -1.359 1.00 0.00 O ATOM 729 NE2 GLN A 53 21.299 7.560 -3.177 1.00 0.00 N ATOM 0 H GLN A 53 18.165 7.246 1.529 1.00 0.00 H new ATOM 0 HA GLN A 53 17.789 5.836 -1.031 1.00 0.00 H new ATOM 0 HB2 GLN A 53 20.199 6.381 0.753 1.00 0.00 H new ATOM 0 HB3 GLN A 53 20.249 5.311 -0.634 1.00 0.00 H new ATOM 0 HG2 GLN A 53 19.141 7.455 -1.860 1.00 0.00 H new ATOM 0 HG3 GLN A 53 19.941 8.311 -0.556 1.00 0.00 H new ATOM 0 HE21 GLN A 53 20.445 7.863 -3.644 1.00 0.00 H new ATOM 0 HE22 GLN A 53 22.164 7.463 -3.708 1.00 0.00 H new ATOM 738 N CYS A 54 17.403 3.613 -0.084 1.00 0.00 N ATOM 739 CA CYS A 54 17.170 2.236 0.338 1.00 0.00 C ATOM 740 C CYS A 54 16.645 1.386 -0.828 1.00 0.00 C ATOM 741 O CYS A 54 16.375 1.893 -1.917 1.00 0.00 O ATOM 742 CB CYS A 54 16.226 2.231 1.551 1.00 0.00 C ATOM 743 SG CYS A 54 14.795 3.341 1.476 1.00 0.00 S ATOM 0 H CYS A 54 17.023 3.811 -1.010 1.00 0.00 H new ATOM 0 HA CYS A 54 18.111 1.779 0.645 1.00 0.00 H new ATOM 0 HB2 CYS A 54 15.860 1.214 1.693 1.00 0.00 H new ATOM 0 HB3 CYS A 54 16.808 2.487 2.436 1.00 0.00 H new ATOM 748 N LYS A 55 16.528 0.073 -0.596 1.00 0.00 N ATOM 749 CA LYS A 55 16.004 -0.903 -1.553 1.00 0.00 C ATOM 750 C LYS A 55 14.484 -0.814 -1.646 1.00 0.00 C ATOM 751 O LYS A 55 13.796 -1.351 -0.782 1.00 0.00 O ATOM 752 CB LYS A 55 16.452 -2.312 -1.142 1.00 0.00 C ATOM 753 CG LYS A 55 16.369 -3.257 -2.347 1.00 0.00 C ATOM 754 CD LYS A 55 17.221 -4.511 -2.131 1.00 0.00 C ATOM 755 CE LYS A 55 16.515 -5.516 -1.220 1.00 0.00 C ATOM 756 NZ LYS A 55 17.320 -6.755 -1.097 1.00 0.00 N ATOM 0 H LYS A 55 16.804 -0.350 0.290 1.00 0.00 H new ATOM 0 HA LYS A 55 16.403 -0.681 -2.543 1.00 0.00 H new ATOM 0 HB2 LYS A 55 17.473 -2.282 -0.762 1.00 0.00 H new ATOM 0 HB3 LYS A 55 15.821 -2.683 -0.334 1.00 0.00 H new ATOM 0 HG2 LYS A 55 15.331 -3.545 -2.515 1.00 0.00 H new ATOM 0 HG3 LYS A 55 16.705 -2.737 -3.244 1.00 0.00 H new ATOM 0 HD2 LYS A 55 17.435 -4.977 -3.093 1.00 0.00 H new ATOM 0 HD3 LYS A 55 18.179 -4.231 -1.693 1.00 0.00 H new ATOM 0 HE2 LYS A 55 16.359 -5.077 -0.235 1.00 0.00 H new ATOM 0 HE3 LYS A 55 15.530 -5.753 -1.623 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 16.828 -7.428 -0.475 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 17.447 -7.181 -2.037 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 18.250 -6.526 -0.692 1.00 0.00 H new ATOM 770 N GLU A 56 13.987 -0.184 -2.702 1.00 0.00 N ATOM 771 CA GLU A 56 12.560 -0.025 -2.975 1.00 0.00 C ATOM 772 C GLU A 56 12.194 -0.699 -4.294 1.00 0.00 C ATOM 773 O GLU A 56 12.964 -0.662 -5.259 1.00 0.00 O ATOM 774 CB GLU A 56 12.184 1.463 -2.932 1.00 0.00 C ATOM 775 CG GLU A 56 12.620 2.285 -4.154 1.00 0.00 C ATOM 776 CD GLU A 56 11.569 2.432 -5.259 1.00 0.00 C ATOM 777 OE1 GLU A 56 10.367 2.461 -4.937 1.00 0.00 O ATOM 778 OE2 GLU A 56 12.002 2.770 -6.391 1.00 0.00 O ATOM 0 H GLU A 56 14.580 0.243 -3.414 1.00 0.00 H new ATOM 0 HA GLU A 56 11.975 -0.523 -2.202 1.00 0.00 H new ATOM 0 HB2 GLU A 56 11.102 1.545 -2.827 1.00 0.00 H new ATOM 0 HB3 GLU A 56 12.625 1.907 -2.040 1.00 0.00 H new ATOM 0 HG2 GLU A 56 12.909 3.280 -3.816 1.00 0.00 H new ATOM 0 HG3 GLU A 56 13.510 1.823 -4.582 1.00 0.00 H new ATOM 785 N LEU A 57 11.044 -1.364 -4.322 1.00 0.00 N ATOM 786 CA LEU A 57 10.522 -2.004 -5.526 1.00 0.00 C ATOM 787 C LEU A 57 9.687 -1.013 -6.328 1.00 0.00 C ATOM 788 O LEU A 57 8.695 -0.490 -5.840 1.00 0.00 O ATOM 789 CB LEU A 57 9.650 -3.199 -5.128 1.00 0.00 C ATOM 790 CG LEU A 57 10.415 -4.495 -4.860 1.00 0.00 C ATOM 791 CD1 LEU A 57 9.517 -5.500 -4.139 1.00 0.00 C ATOM 792 CD2 LEU A 57 10.871 -5.142 -6.168 1.00 0.00 C ATOM 0 H LEU A 57 10.443 -1.475 -3.505 1.00 0.00 H new ATOM 0 HA LEU A 57 11.357 -2.343 -6.139 1.00 0.00 H new ATOM 0 HB2 LEU A 57 9.086 -2.936 -4.233 1.00 0.00 H new ATOM 0 HB3 LEU A 57 8.924 -3.380 -5.921 1.00 0.00 H new ATOM 0 HG LEU A 57 11.280 -4.240 -4.248 1.00 0.00 H new ATOM 0 HD11 LEU A 57 10.074 -6.419 -3.954 1.00 0.00 H new ATOM 0 HD12 LEU A 57 9.188 -5.078 -3.189 1.00 0.00 H new ATOM 0 HD13 LEU A 57 8.648 -5.721 -4.758 1.00 0.00 H new ATOM 0 HD21 LEU A 57 11.413 -6.062 -5.949 1.00 0.00 H new ATOM 0 HD22 LEU A 57 10.001 -5.371 -6.783 1.00 0.00 H new ATOM 0 HD23 LEU A 57 11.525 -4.455 -6.705 1.00 0.00 H new ATOM 804 N GLN A 58 10.008 -0.846 -7.606 1.00 0.00 N ATOM 805 CA GLN A 58 9.312 0.088 -8.496 1.00 0.00 C ATOM 806 C GLN A 58 7.822 -0.258 -8.634 1.00 0.00 C ATOM 807 O GLN A 58 6.979 0.637 -8.641 1.00 0.00 O ATOM 808 CB GLN A 58 9.985 0.096 -9.877 1.00 0.00 C ATOM 809 CG GLN A 58 11.432 0.628 -9.862 1.00 0.00 C ATOM 810 CD GLN A 58 12.421 -0.277 -9.125 1.00 0.00 C ATOM 811 OE1 GLN A 58 12.431 -1.489 -9.276 1.00 0.00 O ATOM 812 NE2 GLN A 58 13.219 0.252 -8.228 1.00 0.00 N ATOM 0 H GLN A 58 10.764 -1.357 -8.061 1.00 0.00 H new ATOM 0 HA GLN A 58 9.378 1.082 -8.053 1.00 0.00 H new ATOM 0 HB2 GLN A 58 9.985 -0.918 -10.277 1.00 0.00 H new ATOM 0 HB3 GLN A 58 9.391 0.706 -10.557 1.00 0.00 H new ATOM 0 HG2 GLN A 58 11.771 0.758 -10.890 1.00 0.00 H new ATOM 0 HG3 GLN A 58 11.441 1.614 -9.396 1.00 0.00 H new ATOM 0 HE21 GLN A 58 13.227 1.262 -8.085 1.00 0.00 H new ATOM 0 HE22 GLN A 58 13.831 -0.347 -7.674 1.00 0.00 H new ATOM 821 N ALA A 59 7.493 -1.553 -8.710 1.00 0.00 N ATOM 822 CA ALA A 59 6.117 -2.049 -8.755 1.00 0.00 C ATOM 823 C ALA A 59 5.409 -1.992 -7.383 1.00 0.00 C ATOM 824 O ALA A 59 4.191 -1.871 -7.325 1.00 0.00 O ATOM 825 CB ALA A 59 6.147 -3.479 -9.314 1.00 0.00 C ATOM 0 H ALA A 59 8.190 -2.297 -8.742 1.00 0.00 H new ATOM 0 HA ALA A 59 5.530 -1.399 -9.404 1.00 0.00 H new ATOM 0 HB1 ALA A 59 5.132 -3.874 -9.358 1.00 0.00 H new ATOM 0 HB2 ALA A 59 6.577 -3.469 -10.316 1.00 0.00 H new ATOM 0 HB3 ALA A 59 6.754 -4.111 -8.665 1.00 0.00 H new ATOM 831 N GLU A 60 6.160 -2.050 -6.279 1.00 0.00 N ATOM 832 CA GLU A 60 5.624 -1.998 -4.910 1.00 0.00 C ATOM 833 C GLU A 60 5.500 -0.554 -4.384 1.00 0.00 C ATOM 834 O GLU A 60 4.686 -0.276 -3.511 1.00 0.00 O ATOM 835 CB GLU A 60 6.546 -2.817 -3.996 1.00 0.00 C ATOM 836 CG GLU A 60 5.826 -3.508 -2.844 1.00 0.00 C ATOM 837 CD GLU A 60 6.767 -4.349 -1.953 1.00 0.00 C ATOM 838 OE1 GLU A 60 7.842 -3.846 -1.565 1.00 0.00 O ATOM 839 OE2 GLU A 60 6.425 -5.518 -1.644 1.00 0.00 O ATOM 0 H GLU A 60 7.176 -2.136 -6.309 1.00 0.00 H new ATOM 0 HA GLU A 60 4.617 -2.416 -4.917 1.00 0.00 H new ATOM 0 HB2 GLU A 60 7.057 -3.571 -4.595 1.00 0.00 H new ATOM 0 HB3 GLU A 60 7.313 -2.159 -3.588 1.00 0.00 H new ATOM 0 HG2 GLU A 60 5.332 -2.755 -2.230 1.00 0.00 H new ATOM 0 HG3 GLU A 60 5.046 -4.153 -3.247 1.00 0.00 H new ATOM 846 N SER A 61 6.259 0.392 -4.949 1.00 0.00 N ATOM 847 CA SER A 61 6.215 1.832 -4.645 1.00 0.00 C ATOM 848 C SER A 61 4.813 2.426 -4.800 1.00 0.00 C ATOM 849 O SER A 61 4.428 3.347 -4.075 1.00 0.00 O ATOM 850 CB SER A 61 7.205 2.600 -5.530 1.00 0.00 C ATOM 851 OG SER A 61 6.739 2.763 -6.865 1.00 0.00 O ATOM 0 H SER A 61 6.952 0.168 -5.663 1.00 0.00 H new ATOM 0 HA SER A 61 6.500 1.938 -3.598 1.00 0.00 H new ATOM 0 HB2 SER A 61 7.391 3.581 -5.093 1.00 0.00 H new ATOM 0 HB3 SER A 61 8.158 2.071 -5.545 1.00 0.00 H new ATOM 0 HG SER A 61 6.891 1.936 -7.368 1.00 0.00 H new ATOM 857 N ALA A 62 4.024 1.832 -5.704 1.00 0.00 N ATOM 858 CA ALA A 62 2.616 2.128 -5.915 1.00 0.00 C ATOM 859 C ALA A 62 1.779 2.016 -4.632 1.00 0.00 C ATOM 860 O ALA A 62 0.831 2.775 -4.501 1.00 0.00 O ATOM 861 CB ALA A 62 2.077 1.200 -7.010 1.00 0.00 C ATOM 0 H ALA A 62 4.370 1.104 -6.329 1.00 0.00 H new ATOM 0 HA ALA A 62 2.531 3.168 -6.229 1.00 0.00 H new ATOM 0 HB1 ALA A 62 1.021 1.411 -7.179 1.00 0.00 H new ATOM 0 HB2 ALA A 62 2.632 1.366 -7.933 1.00 0.00 H new ATOM 0 HB3 ALA A 62 2.194 0.162 -6.698 1.00 0.00 H new ATOM 867 N SER A 63 2.154 1.155 -3.677 1.00 0.00 N ATOM 868 CA SER A 63 1.502 1.037 -2.368 1.00 0.00 C ATOM 869 C SER A 63 1.432 2.349 -1.590 1.00 0.00 C ATOM 870 O SER A 63 0.435 2.620 -0.928 1.00 0.00 O ATOM 871 CB SER A 63 2.280 0.081 -1.468 1.00 0.00 C ATOM 872 OG SER A 63 2.329 -1.210 -2.012 1.00 0.00 O ATOM 0 H SER A 63 2.934 0.509 -3.796 1.00 0.00 H new ATOM 0 HA SER A 63 0.495 0.690 -2.598 1.00 0.00 H new ATOM 0 HB2 SER A 63 3.294 0.456 -1.327 1.00 0.00 H new ATOM 0 HB3 SER A 63 1.813 0.045 -0.484 1.00 0.00 H new ATOM 0 HG SER A 63 3.092 -1.279 -2.623 1.00 0.00 H new ATOM 878 N CYS A 64 2.522 3.116 -1.594 1.00 0.00 N ATOM 879 CA CYS A 64 2.569 4.429 -0.954 1.00 0.00 C ATOM 880 C CYS A 64 1.936 5.509 -1.833 1.00 0.00 C ATOM 881 O CYS A 64 1.309 6.430 -1.315 1.00 0.00 O ATOM 882 CB CYS A 64 4.024 4.786 -0.654 1.00 0.00 C ATOM 883 SG CYS A 64 4.797 3.616 0.486 1.00 0.00 S ATOM 0 H CYS A 64 3.397 2.844 -2.041 1.00 0.00 H new ATOM 0 HA CYS A 64 1.995 4.382 -0.029 1.00 0.00 H new ATOM 0 HB2 CYS A 64 4.589 4.809 -1.586 1.00 0.00 H new ATOM 0 HB3 CYS A 64 4.069 5.788 -0.228 1.00 0.00 H new ATOM 888 N GLY A 65 2.126 5.405 -3.150 1.00 0.00 N ATOM 889 CA GLY A 65 1.591 6.326 -4.148 1.00 0.00 C ATOM 890 C GLY A 65 2.682 7.175 -4.807 1.00 0.00 C ATOM 891 O GLY A 65 3.848 7.198 -4.406 1.00 0.00 O ATOM 0 H GLY A 65 2.675 4.651 -3.562 1.00 0.00 H new ATOM 0 HA2 GLY A 65 1.063 5.759 -4.915 1.00 0.00 H new ATOM 0 HA3 GLY A 65 0.859 6.982 -3.677 1.00 0.00 H new ATOM 895 N LYS A 66 2.309 7.900 -5.868 1.00 0.00 N ATOM 896 CA LYS A 66 3.220 8.816 -6.578 1.00 0.00 C ATOM 897 C LYS A 66 3.815 9.851 -5.622 1.00 0.00 C ATOM 898 O LYS A 66 3.098 10.489 -4.862 1.00 0.00 O ATOM 899 CB LYS A 66 2.480 9.532 -7.718 1.00 0.00 C ATOM 900 CG LYS A 66 2.140 8.613 -8.900 1.00 0.00 C ATOM 901 CD LYS A 66 3.389 8.238 -9.714 1.00 0.00 C ATOM 902 CE LYS A 66 3.042 7.386 -10.940 1.00 0.00 C ATOM 903 NZ LYS A 66 2.475 6.067 -10.554 1.00 0.00 N ATOM 0 H LYS A 66 1.368 7.871 -6.261 1.00 0.00 H new ATOM 0 HA LYS A 66 4.032 8.220 -6.995 1.00 0.00 H new ATOM 0 HB2 LYS A 66 1.559 9.964 -7.327 1.00 0.00 H new ATOM 0 HB3 LYS A 66 3.093 10.359 -8.076 1.00 0.00 H new ATOM 0 HG2 LYS A 66 1.663 7.706 -8.529 1.00 0.00 H new ATOM 0 HG3 LYS A 66 1.419 9.109 -9.550 1.00 0.00 H new ATOM 0 HD2 LYS A 66 3.898 9.147 -10.036 1.00 0.00 H new ATOM 0 HD3 LYS A 66 4.085 7.691 -9.078 1.00 0.00 H new ATOM 0 HE2 LYS A 66 2.326 7.921 -11.563 1.00 0.00 H new ATOM 0 HE3 LYS A 66 3.938 7.234 -11.542 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 2.364 5.475 -11.402 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 3.117 5.596 -9.885 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 1.547 6.206 -10.105 1.00 0.00 H new ATOM 917 N GLY A 67 5.126 10.070 -5.733 1.00 0.00 N ATOM 918 CA GLY A 67 5.844 11.015 -4.876 1.00 0.00 C ATOM 919 C GLY A 67 6.444 10.383 -3.614 1.00 0.00 C ATOM 920 O GLY A 67 6.981 11.110 -2.782 1.00 0.00 O ATOM 0 H GLY A 67 5.718 9.599 -6.417 1.00 0.00 H new ATOM 0 HA2 GLY A 67 6.644 11.477 -5.454 1.00 0.00 H new ATOM 0 HA3 GLY A 67 5.162 11.812 -4.581 1.00 0.00 H new ATOM 924 N GLN A 68 6.363 9.058 -3.465 1.00 0.00 N ATOM 925 CA GLN A 68 6.898 8.265 -2.357 1.00 0.00 C ATOM 926 C GLN A 68 7.484 6.944 -2.883 1.00 0.00 C ATOM 927 O GLN A 68 7.224 6.546 -4.020 1.00 0.00 O ATOM 928 CB GLN A 68 5.769 8.006 -1.339 1.00 0.00 C ATOM 929 CG GLN A 68 5.337 9.264 -0.566 1.00 0.00 C ATOM 930 CD GLN A 68 6.425 9.799 0.367 1.00 0.00 C ATOM 931 OE1 GLN A 68 6.893 9.144 1.282 1.00 0.00 O ATOM 932 NE2 GLN A 68 6.877 11.019 0.193 1.00 0.00 N ATOM 0 H GLN A 68 5.893 8.475 -4.158 1.00 0.00 H new ATOM 0 HA GLN A 68 7.703 8.810 -1.864 1.00 0.00 H new ATOM 0 HB2 GLN A 68 4.905 7.597 -1.863 1.00 0.00 H new ATOM 0 HB3 GLN A 68 6.099 7.248 -0.628 1.00 0.00 H new ATOM 0 HG2 GLN A 68 5.061 10.043 -1.277 1.00 0.00 H new ATOM 0 HG3 GLN A 68 4.446 9.036 0.018 1.00 0.00 H new ATOM 0 HE21 GLN A 68 6.508 11.596 -0.563 1.00 0.00 H new ATOM 0 HE22 GLN A 68 7.597 11.390 0.814 1.00 0.00 H new ATOM 941 N LYS A 69 8.299 6.274 -2.061 1.00 0.00 N ATOM 942 CA LYS A 69 8.911 4.962 -2.336 1.00 0.00 C ATOM 943 C LYS A 69 8.551 3.971 -1.230 1.00 0.00 C ATOM 944 O LYS A 69 8.147 4.391 -0.148 1.00 0.00 O ATOM 945 CB LYS A 69 10.433 5.137 -2.462 1.00 0.00 C ATOM 946 CG LYS A 69 10.816 5.656 -3.853 1.00 0.00 C ATOM 947 CD LYS A 69 12.260 6.165 -3.869 1.00 0.00 C ATOM 948 CE LYS A 69 12.743 6.407 -5.303 1.00 0.00 C ATOM 949 NZ LYS A 69 13.189 5.147 -5.954 1.00 0.00 N ATOM 0 H LYS A 69 8.563 6.643 -1.148 1.00 0.00 H new ATOM 0 HA LYS A 69 8.527 4.560 -3.273 1.00 0.00 H new ATOM 0 HB2 LYS A 69 10.786 5.833 -1.701 1.00 0.00 H new ATOM 0 HB3 LYS A 69 10.928 4.184 -2.277 1.00 0.00 H new ATOM 0 HG2 LYS A 69 10.699 4.859 -4.587 1.00 0.00 H new ATOM 0 HG3 LYS A 69 10.140 6.460 -4.144 1.00 0.00 H new ATOM 0 HD2 LYS A 69 12.329 7.091 -3.297 1.00 0.00 H new ATOM 0 HD3 LYS A 69 12.910 5.439 -3.380 1.00 0.00 H new ATOM 0 HE2 LYS A 69 11.938 6.853 -5.887 1.00 0.00 H new ATOM 0 HE3 LYS A 69 13.565 7.123 -5.294 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 13.693 5.371 -6.836 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 13.825 4.631 -5.313 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 12.361 4.556 -6.170 1.00 0.00 H new ATOM 963 N CYS A 70 8.708 2.676 -1.505 1.00 0.00 N ATOM 964 CA CYS A 70 8.414 1.600 -0.547 1.00 0.00 C ATOM 965 C CYS A 70 9.643 0.709 -0.329 1.00 0.00 C ATOM 966 O CYS A 70 9.932 -0.163 -1.152 1.00 0.00 O ATOM 967 CB CYS A 70 7.167 0.795 -0.964 1.00 0.00 C ATOM 968 SG CYS A 70 6.215 0.193 0.464 1.00 0.00 S ATOM 0 H CYS A 70 9.046 2.337 -2.406 1.00 0.00 H new ATOM 0 HA CYS A 70 8.177 2.057 0.414 1.00 0.00 H new ATOM 0 HB2 CYS A 70 6.526 1.420 -1.586 1.00 0.00 H new ATOM 0 HB3 CYS A 70 7.474 -0.054 -1.575 1.00 0.00 H new ATOM 973 N CYS A 71 10.401 0.957 0.741 1.00 0.00 N ATOM 974 CA CYS A 71 11.620 0.223 1.076 1.00 0.00 C ATOM 975 C CYS A 71 11.318 -0.850 2.103 1.00 0.00 C ATOM 976 O CYS A 71 10.608 -0.610 3.076 1.00 0.00 O ATOM 977 CB CYS A 71 12.743 1.119 1.617 1.00 0.00 C ATOM 978 SG CYS A 71 13.470 2.255 0.408 1.00 0.00 S ATOM 0 H CYS A 71 10.178 1.691 1.413 1.00 0.00 H new ATOM 0 HA CYS A 71 11.971 -0.217 0.143 1.00 0.00 H new ATOM 0 HB2 CYS A 71 12.352 1.702 2.451 1.00 0.00 H new ATOM 0 HB3 CYS A 71 13.533 0.483 2.016 1.00 0.00 H new ATOM 983 N VAL A 72 11.920 -2.017 1.903 1.00 0.00 N ATOM 984 CA VAL A 72 11.780 -3.176 2.787 1.00 0.00 C ATOM 985 C VAL A 72 13.026 -3.381 3.633 1.00 0.00 C ATOM 986 O VAL A 72 14.158 -3.202 3.167 1.00 0.00 O ATOM 987 CB VAL A 72 11.428 -4.428 1.967 1.00 0.00 C ATOM 988 CG1 VAL A 72 12.556 -4.841 1.015 1.00 0.00 C ATOM 989 CG2 VAL A 72 11.085 -5.640 2.833 1.00 0.00 C ATOM 0 H VAL A 72 12.532 -2.191 1.106 1.00 0.00 H new ATOM 0 HA VAL A 72 10.960 -2.988 3.480 1.00 0.00 H new ATOM 0 HB VAL A 72 10.547 -4.133 1.397 1.00 0.00 H new ATOM 0 HG11 VAL A 72 12.256 -5.730 0.460 1.00 0.00 H new ATOM 0 HG12 VAL A 72 12.759 -4.029 0.317 1.00 0.00 H new ATOM 0 HG13 VAL A 72 13.456 -5.058 1.590 1.00 0.00 H new ATOM 0 HG21 VAL A 72 10.846 -6.489 2.192 1.00 0.00 H new ATOM 0 HG22 VAL A 72 11.938 -5.890 3.464 1.00 0.00 H new ATOM 0 HG23 VAL A 72 10.225 -5.407 3.461 1.00 0.00 H new ATOM 999 N TRP A 73 12.808 -3.851 4.855 1.00 0.00 N ATOM 1000 CA TRP A 73 13.869 -4.163 5.802 1.00 0.00 C ATOM 1001 C TRP A 73 13.809 -5.630 6.221 1.00 0.00 C ATOM 1002 O TRP A 73 12.921 -6.388 5.828 1.00 0.00 O ATOM 1003 CB TRP A 73 13.821 -3.171 6.977 1.00 0.00 C ATOM 1004 CG TRP A 73 13.363 -1.790 6.608 1.00 0.00 C ATOM 1005 CD1 TRP A 73 12.123 -1.289 6.825 1.00 0.00 C ATOM 1006 CD2 TRP A 73 14.081 -0.760 5.863 1.00 0.00 C ATOM 1007 NE1 TRP A 73 12.047 -0.002 6.339 1.00 0.00 N ATOM 1008 CE2 TRP A 73 13.221 0.369 5.726 1.00 0.00 C ATOM 1009 CE3 TRP A 73 15.365 -0.665 5.282 1.00 0.00 C ATOM 1010 CZ2 TRP A 73 13.633 1.545 5.094 1.00 0.00 C ATOM 1011 CZ3 TRP A 73 15.783 0.511 4.628 1.00 0.00 C ATOM 1012 CH2 TRP A 73 14.922 1.619 4.550 1.00 0.00 C ATOM 0 H TRP A 73 11.873 -4.029 5.221 1.00 0.00 H new ATOM 0 HA TRP A 73 14.843 -4.039 5.329 1.00 0.00 H new ATOM 0 HB2 TRP A 73 13.156 -3.568 7.744 1.00 0.00 H new ATOM 0 HB3 TRP A 73 14.815 -3.104 7.420 1.00 0.00 H new ATOM 0 HD1 TRP A 73 11.315 -1.819 7.307 1.00 0.00 H new ATOM 0 HE1 TRP A 73 11.226 0.598 6.423 1.00 0.00 H new ATOM 0 HE3 TRP A 73 16.038 -1.508 5.340 1.00 0.00 H new ATOM 0 HZ2 TRP A 73 12.964 2.390 5.025 1.00 0.00 H new ATOM 0 HZ3 TRP A 73 16.767 0.561 4.186 1.00 0.00 H new ATOM 0 HH2 TRP A 73 15.254 2.528 4.070 1.00 0.00 H new ATOM 1023 N LEU A 74 14.824 -6.064 6.967 1.00 0.00 N ATOM 1024 CA LEU A 74 14.775 -7.352 7.661 1.00 0.00 C ATOM 1025 C LEU A 74 13.603 -7.417 8.665 1.00 0.00 C ATOM 1026 O LEU A 74 13.016 -6.397 9.006 1.00 0.00 O ATOM 1027 CB LEU A 74 16.136 -7.675 8.308 1.00 0.00 C ATOM 1028 CG LEU A 74 16.471 -6.875 9.591 1.00 0.00 C ATOM 1029 CD1 LEU A 74 17.455 -7.655 10.464 1.00 0.00 C ATOM 1030 CD2 LEU A 74 17.074 -5.503 9.265 1.00 0.00 C ATOM 0 H LEU A 74 15.690 -5.544 7.107 1.00 0.00 H new ATOM 0 HA LEU A 74 14.580 -8.130 6.923 1.00 0.00 H new ATOM 0 HB2 LEU A 74 16.162 -8.738 8.547 1.00 0.00 H new ATOM 0 HB3 LEU A 74 16.920 -7.494 7.573 1.00 0.00 H new ATOM 0 HG LEU A 74 15.534 -6.724 10.128 1.00 0.00 H new ATOM 0 HD11 LEU A 74 17.680 -7.079 11.362 1.00 0.00 H new ATOM 0 HD12 LEU A 74 17.012 -8.610 10.747 1.00 0.00 H new ATOM 0 HD13 LEU A 74 18.375 -7.832 9.906 1.00 0.00 H new ATOM 0 HD21 LEU A 74 17.295 -4.973 10.192 1.00 0.00 H new ATOM 0 HD22 LEU A 74 17.993 -5.636 8.695 1.00 0.00 H new ATOM 0 HD23 LEU A 74 16.363 -4.923 8.677 1.00 0.00 H new ATOM 1042 N HIS A 75 13.303 -8.637 9.120 1.00 0.00 N ATOM 1043 CA HIS A 75 12.298 -8.951 10.144 1.00 0.00 C ATOM 1044 C HIS A 75 12.494 -8.154 11.439 1.00 0.00 C ATOM 1045 O HIS A 75 13.613 -8.280 11.988 1.00 0.00 O ATOM 1046 CB HIS A 75 12.350 -10.446 10.499 1.00 0.00 C ATOM 1047 CG HIS A 75 12.134 -11.398 9.352 1.00 0.00 C ATOM 1048 ND1 HIS A 75 13.071 -11.783 8.435 1.00 0.00 N flip ATOM 1049 CD2 HIS A 75 10.961 -12.071 9.087 1.00 0.00 C flip ATOM 1050 CE1 HIS A 75 12.449 -12.686 7.589 1.00 0.00 C flip ATOM 1051 NE2 HIS A 75 11.175 -12.853 8.008 1.00 0.00 N flip ATOM 1052 OXT HIS A 75 11.480 -7.611 11.918 1.00 0.00 O ATOM 0 H HIS A 75 13.774 -9.471 8.770 1.00 0.00 H new ATOM 0 HA HIS A 75 11.334 -8.679 9.713 1.00 0.00 H new ATOM 0 HB2 HIS A 75 13.320 -10.661 10.947 1.00 0.00 H new ATOM 0 HB3 HIS A 75 11.596 -10.646 11.260 1.00 0.00 H new ATOM 0 HD2 HIS A 75 10.038 -11.988 9.642 1.00 0.00 H new ATOM 0 HE1 HIS A 75 12.904 -13.173 6.740 1.00 0.00 H new ATOM 0 HE2 HIS A 75 10.486 -13.470 7.578 1.00 0.00 H new TER 1061 HIS A 75