USER MOD reduce.3.24.130724 H: found=0, std=0, add=449, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 449 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 29 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 34 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 21 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 22 ASN : amide:sc= -4.19! C(o=-4.2!,f=-9.8!) USER MOD Set 3.1: A 5 ASN : amide:sc= -2.04! C(o=-1.2!,f=-12!) USER MOD Set 3.2: A 13 THR OG1 : rot 81:sc= 0.825 USER MOD Set 4.1: A 4 HIS : no HE2:sc= -5.38! C(o=-8!,f=-13!) USER MOD Set 4.2: A 61 ASN : amide:sc= -2.59! C(o=-8!,f=-10!) USER MOD Single : A 1 LEU N :NH3+ 138:sc= 0.0161 (180deg=0) USER MOD Single : A 6 GLN :FLIP amide:sc= -1.44! C(o=-3.6!,f=-1.4!) USER MOD Single : A 7 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 8 SER OG : rot 180:sc= -0.323 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 10 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 THR OG1 : rot -42:sc= 0.0763 USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 24 TYR OH : rot 165:sc= -0.0586 USER MOD Single : A 25 LYS NZ :NH3+ -172:sc= 0.138 (180deg=-0.0388) USER MOD Single : A 26 LYS NZ :NH3+ 157:sc= -0.298 (180deg=-0.732) USER MOD Single : A 31 HIS : no HD1:sc= -0.519 K(o=-0.52,f=-1.1) USER MOD Single : A 44 LYS NZ :NH3+ -138:sc= -2.14 (180deg=-4.63!) USER MOD Single : A 46 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0159) USER MOD Single : A 50 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 52 ASN : amide:sc= -0.0285 X(o=-0.029,f=-0.34) USER MOD Single : A 56 THR OG1 : rot 180:sc= -4.53! USER MOD Single : A 60 ASN : amide:sc= -2.43! C(o=-2.4!,f=-19!) USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 1 -6.260 -15.222 2.199 1.00 0.00 N ATOM 2 CA LEU A 1 -5.887 -14.239 1.196 1.00 0.00 C ATOM 3 C LEU A 1 -4.698 -13.423 1.705 1.00 0.00 C ATOM 4 O LEU A 1 -4.687 -12.986 2.855 1.00 0.00 O ATOM 5 CB LEU A 1 -7.096 -13.387 0.805 1.00 0.00 C ATOM 6 CG LEU A 1 -6.805 -12.181 -0.090 1.00 0.00 C ATOM 7 CD1 LEU A 1 -6.605 -12.613 -1.544 1.00 0.00 C ATOM 8 CD2 LEU A 1 -7.899 -11.120 0.047 1.00 0.00 C ATOM 0 H1 LEU A 1 -7.296 -15.264 2.276 1.00 0.00 H new ATOM 0 H2 LEU A 1 -5.896 -16.156 1.922 1.00 0.00 H new ATOM 0 H3 LEU A 1 -5.855 -14.951 3.118 1.00 0.00 H new ATOM 0 HA LEU A 1 -5.565 -14.733 0.279 1.00 0.00 H new ATOM 0 HB2 LEU A 1 -7.817 -14.027 0.296 1.00 0.00 H new ATOM 0 HB3 LEU A 1 -7.575 -13.030 1.717 1.00 0.00 H new ATOM 0 HG LEU A 1 -5.872 -11.726 0.242 1.00 0.00 H new ATOM 0 HD11 LEU A 1 -6.400 -11.737 -2.159 1.00 0.00 H new ATOM 0 HD12 LEU A 1 -5.765 -13.305 -1.606 1.00 0.00 H new ATOM 0 HD13 LEU A 1 -7.508 -13.106 -1.905 1.00 0.00 H new ATOM 0 HD21 LEU A 1 -7.668 -10.273 -0.600 1.00 0.00 H new ATOM 0 HD22 LEU A 1 -8.859 -11.547 -0.244 1.00 0.00 H new ATOM 0 HD23 LEU A 1 -7.951 -10.782 1.082 1.00 0.00 H new ATOM 22 N GLU A 2 -3.724 -13.243 0.825 1.00 0.00 N ATOM 23 CA GLU A 2 -2.533 -12.486 1.171 1.00 0.00 C ATOM 24 C GLU A 2 -2.533 -11.137 0.451 1.00 0.00 C ATOM 25 O GLU A 2 -2.990 -11.036 -0.687 1.00 0.00 O ATOM 26 CB GLU A 2 -1.266 -13.281 0.847 1.00 0.00 C ATOM 27 CG GLU A 2 -1.329 -14.685 1.452 1.00 0.00 C ATOM 28 CD GLU A 2 -1.174 -14.634 2.973 1.00 0.00 C ATOM 29 OE1 GLU A 2 -0.311 -13.852 3.429 1.00 0.00 O ATOM 30 OE2 GLU A 2 -1.920 -15.378 3.645 1.00 0.00 O ATOM 0 H GLU A 2 -3.735 -13.608 -0.127 1.00 0.00 H new ATOM 0 HA GLU A 2 -2.543 -12.301 2.245 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -1.144 -13.352 -0.234 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -0.393 -12.754 1.233 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -2.279 -15.153 1.195 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -0.542 -15.305 1.023 1.00 0.00 H new ATOM 37 N CYS A 3 -2.015 -10.133 1.143 1.00 0.00 N ATOM 38 CA CYS A 3 -1.950 -8.793 0.584 1.00 0.00 C ATOM 39 C CYS A 3 -0.580 -8.199 0.919 1.00 0.00 C ATOM 40 O CYS A 3 -0.096 -8.341 2.041 1.00 0.00 O ATOM 41 CB CYS A 3 -3.094 -7.912 1.090 1.00 0.00 C ATOM 42 SG CYS A 3 -4.745 -8.699 1.045 1.00 0.00 S ATOM 0 H CYS A 3 -1.636 -10.220 2.086 1.00 0.00 H new ATOM 0 HA CYS A 3 -2.069 -8.842 -0.498 1.00 0.00 H new ATOM 0 HB2 CYS A 3 -2.877 -7.613 2.115 1.00 0.00 H new ATOM 0 HB3 CYS A 3 -3.125 -7.001 0.492 1.00 0.00 H new ATOM 47 N HIS A 4 0.005 -7.546 -0.074 1.00 0.00 N ATOM 48 CA HIS A 4 1.309 -6.929 0.102 1.00 0.00 C ATOM 49 C HIS A 4 1.219 -5.832 1.165 1.00 0.00 C ATOM 50 O HIS A 4 0.202 -5.149 1.272 1.00 0.00 O ATOM 51 CB HIS A 4 1.853 -6.418 -1.233 1.00 0.00 C ATOM 52 CG HIS A 4 2.553 -7.474 -2.056 1.00 0.00 C ATOM 53 ND1 HIS A 4 3.917 -7.696 -1.987 1.00 0.00 N ATOM 54 CD2 HIS A 4 2.063 -8.365 -2.964 1.00 0.00 C ATOM 55 CE1 HIS A 4 4.224 -8.678 -2.821 1.00 0.00 C ATOM 56 NE2 HIS A 4 3.073 -9.091 -3.426 1.00 0.00 N ATOM 0 H HIS A 4 -0.400 -7.431 -1.003 1.00 0.00 H new ATOM 0 HA HIS A 4 2.022 -7.673 0.457 1.00 0.00 H new ATOM 0 HB2 HIS A 4 1.029 -6.005 -1.815 1.00 0.00 H new ATOM 0 HB3 HIS A 4 2.549 -5.601 -1.041 1.00 0.00 H new ATOM 0 HD1 HIS A 4 4.575 -7.189 -1.394 1.00 0.00 H new ATOM 0 HD2 HIS A 4 1.028 -8.463 -3.258 1.00 0.00 H new ATOM 0 HE1 HIS A 4 5.211 -9.081 -2.992 1.00 0.00 H new ATOM 65 N ASN A 5 2.297 -5.697 1.923 1.00 0.00 N ATOM 66 CA ASN A 5 2.353 -4.695 2.973 1.00 0.00 C ATOM 67 C ASN A 5 3.615 -3.848 2.799 1.00 0.00 C ATOM 68 O ASN A 5 4.032 -3.151 3.722 1.00 0.00 O ATOM 69 CB ASN A 5 2.409 -5.348 4.356 1.00 0.00 C ATOM 70 CG ASN A 5 3.832 -5.797 4.692 1.00 0.00 C ATOM 71 OD1 ASN A 5 4.433 -6.609 4.008 1.00 0.00 O ATOM 72 ND2 ASN A 5 4.337 -5.225 5.782 1.00 0.00 N ATOM 0 H ASN A 5 3.139 -6.265 1.831 1.00 0.00 H new ATOM 0 HA ASN A 5 1.455 -4.081 2.900 1.00 0.00 H new ATOM 0 HB2 ASN A 5 2.059 -4.643 5.110 1.00 0.00 H new ATOM 0 HB3 ASN A 5 1.737 -6.206 4.385 1.00 0.00 H new ATOM 0 HD21 ASN A 5 5.281 -5.459 6.090 1.00 0.00 H new ATOM 0 HD22 ASN A 5 3.780 -4.553 6.310 1.00 0.00 H new ATOM 79 N GLN A 6 4.189 -3.938 1.607 1.00 0.00 N ATOM 80 CA GLN A 6 5.395 -3.189 1.300 1.00 0.00 C ATOM 81 C GLN A 6 5.112 -1.686 1.342 1.00 0.00 C ATOM 82 O GLN A 6 4.101 -1.226 0.814 1.00 0.00 O ATOM 83 CB GLN A 6 5.965 -3.602 -0.059 1.00 0.00 C ATOM 84 CG GLN A 6 5.406 -2.722 -1.178 1.00 0.00 C ATOM 85 CD GLN A 6 5.784 -3.277 -2.553 1.00 0.00 C ATOM 86 OE1 GLN A 6 7.056 -3.651 -2.654 1.00 0.00 O flip ATOM 87 NE2 GLN A 6 4.974 -3.361 -3.462 1.00 0.00 N flip ATOM 0 H GLN A 6 3.841 -4.518 0.844 1.00 0.00 H new ATOM 0 HA GLN A 6 6.145 -3.419 2.057 1.00 0.00 H new ATOM 0 HB2 GLN A 6 7.052 -3.525 -0.040 1.00 0.00 H new ATOM 0 HB3 GLN A 6 5.723 -4.646 -0.257 1.00 0.00 H new ATOM 0 HG2 GLN A 6 4.321 -2.663 -1.091 1.00 0.00 H new ATOM 0 HG3 GLN A 6 5.790 -1.707 -1.073 1.00 0.00 H new ATOM 0 HE21 GLN A 6 4.012 -3.055 -3.317 1.00 0.00 H new ATOM 0 HE22 GLN A 6 5.259 -3.737 -4.366 1.00 0.00 H new ATOM 96 N GLN A 7 6.024 -0.962 1.975 1.00 0.00 N ATOM 97 CA GLN A 7 5.885 0.479 2.093 1.00 0.00 C ATOM 98 C GLN A 7 6.876 1.185 1.164 1.00 0.00 C ATOM 99 O GLN A 7 8.011 0.739 1.006 1.00 0.00 O ATOM 100 CB GLN A 7 6.075 0.931 3.542 1.00 0.00 C ATOM 101 CG GLN A 7 5.993 2.455 3.656 1.00 0.00 C ATOM 102 CD GLN A 7 6.283 2.914 5.086 1.00 0.00 C ATOM 103 OE1 GLN A 7 5.485 2.745 5.994 1.00 0.00 O ATOM 104 NE2 GLN A 7 7.466 3.503 5.236 1.00 0.00 N ATOM 0 H GLN A 7 6.862 -1.347 2.411 1.00 0.00 H new ATOM 0 HA GLN A 7 4.874 0.753 1.791 1.00 0.00 H new ATOM 0 HB2 GLN A 7 5.312 0.474 4.172 1.00 0.00 H new ATOM 0 HB3 GLN A 7 7.041 0.587 3.910 1.00 0.00 H new ATOM 0 HG2 GLN A 7 6.707 2.913 2.971 1.00 0.00 H new ATOM 0 HG3 GLN A 7 5.001 2.793 3.356 1.00 0.00 H new ATOM 0 HE21 GLN A 7 8.086 3.613 4.434 1.00 0.00 H new ATOM 0 HE22 GLN A 7 7.753 3.845 6.153 1.00 0.00 H new ATOM 113 N SER A 8 6.409 2.276 0.573 1.00 0.00 N ATOM 114 CA SER A 8 7.239 3.048 -0.335 1.00 0.00 C ATOM 115 C SER A 8 7.958 2.113 -1.310 1.00 0.00 C ATOM 116 O SER A 8 7.348 1.198 -1.862 1.00 0.00 O ATOM 117 CB SER A 8 8.255 3.896 0.433 1.00 0.00 C ATOM 118 OG SER A 8 7.663 4.561 1.546 1.00 0.00 O ATOM 0 H SER A 8 5.467 2.643 0.706 1.00 0.00 H new ATOM 0 HA SER A 8 6.594 3.723 -0.897 1.00 0.00 H new ATOM 0 HB2 SER A 8 9.068 3.260 0.782 1.00 0.00 H new ATOM 0 HB3 SER A 8 8.693 4.634 -0.239 1.00 0.00 H new ATOM 0 HG SER A 8 8.344 5.090 2.011 1.00 0.00 H new ATOM 124 N SER A 9 9.243 2.375 -1.493 1.00 0.00 N ATOM 125 CA SER A 9 10.051 1.569 -2.392 1.00 0.00 C ATOM 126 C SER A 9 10.754 0.458 -1.609 1.00 0.00 C ATOM 127 O SER A 9 11.752 -0.094 -2.069 1.00 0.00 O ATOM 128 CB SER A 9 11.079 2.429 -3.131 1.00 0.00 C ATOM 129 OG SER A 9 11.903 3.166 -2.232 1.00 0.00 O ATOM 0 H SER A 9 9.745 3.135 -1.034 1.00 0.00 H new ATOM 0 HA SER A 9 9.391 1.121 -3.135 1.00 0.00 H new ATOM 0 HB2 SER A 9 11.704 1.791 -3.755 1.00 0.00 H new ATOM 0 HB3 SER A 9 10.562 3.119 -3.798 1.00 0.00 H new ATOM 0 HG SER A 9 12.547 3.701 -2.742 1.00 0.00 H new ATOM 135 N GLN A 10 10.204 0.162 -0.441 1.00 0.00 N ATOM 136 CA GLN A 10 10.766 -0.873 0.410 1.00 0.00 C ATOM 137 C GLN A 10 10.571 -2.249 -0.230 1.00 0.00 C ATOM 138 O GLN A 10 9.846 -2.383 -1.214 1.00 0.00 O ATOM 139 CB GLN A 10 10.149 -0.827 1.810 1.00 0.00 C ATOM 140 CG GLN A 10 10.151 0.599 2.363 1.00 0.00 C ATOM 141 CD GLN A 10 11.433 0.881 3.149 1.00 0.00 C ATOM 142 OE1 GLN A 10 12.479 1.175 2.594 1.00 0.00 O ATOM 143 NE2 GLN A 10 11.294 0.776 4.467 1.00 0.00 N ATOM 0 H GLN A 10 9.375 0.621 -0.064 1.00 0.00 H new ATOM 0 HA GLN A 10 11.835 -0.690 0.514 1.00 0.00 H new ATOM 0 HB2 GLN A 10 9.127 -1.205 1.774 1.00 0.00 H new ATOM 0 HB3 GLN A 10 10.708 -1.481 2.479 1.00 0.00 H new ATOM 0 HG2 GLN A 10 10.059 1.311 1.543 1.00 0.00 H new ATOM 0 HG3 GLN A 10 9.285 0.743 3.009 1.00 0.00 H new ATOM 0 HE21 GLN A 10 10.389 0.526 4.866 1.00 0.00 H new ATOM 0 HE22 GLN A 10 12.092 0.945 5.079 1.00 0.00 H new ATOM 152 N PRO A 11 11.231 -3.237 0.356 1.00 0.00 N ATOM 153 CA PRO A 11 11.192 -4.633 -0.086 1.00 0.00 C ATOM 154 C PRO A 11 9.752 -5.148 -0.056 1.00 0.00 C ATOM 155 O PRO A 11 9.052 -4.982 0.942 1.00 0.00 O ATOM 156 CB PRO A 11 12.030 -5.368 0.962 1.00 0.00 C ATOM 157 CG PRO A 11 12.942 -4.305 1.502 1.00 0.00 C ATOM 158 CD PRO A 11 12.092 -3.067 1.529 1.00 0.00 C ATOM 0 HA PRO A 11 11.563 -4.770 -1.102 1.00 0.00 H new ATOM 0 HB2 PRO A 11 11.405 -5.795 1.746 1.00 0.00 H new ATOM 0 HB3 PRO A 11 12.592 -6.190 0.520 1.00 0.00 H new ATOM 0 HG2 PRO A 11 13.305 -4.560 2.498 1.00 0.00 H new ATOM 0 HG3 PRO A 11 13.818 -4.172 0.867 1.00 0.00 H new ATOM 0 HD2 PRO A 11 11.512 -2.995 2.449 1.00 0.00 H new ATOM 0 HD3 PRO A 11 12.695 -2.161 1.460 1.00 0.00 H new ATOM 166 N PRO A 12 9.352 -5.761 -1.160 1.00 0.00 N ATOM 167 CA PRO A 12 8.017 -6.331 -1.352 1.00 0.00 C ATOM 168 C PRO A 12 7.745 -7.389 -0.281 1.00 0.00 C ATOM 169 O PRO A 12 8.503 -8.349 -0.146 1.00 0.00 O ATOM 170 CB PRO A 12 8.100 -6.993 -2.728 1.00 0.00 C ATOM 171 CG PRO A 12 9.192 -6.235 -3.425 1.00 0.00 C ATOM 172 CD PRO A 12 10.195 -5.953 -2.343 1.00 0.00 C ATOM 0 HA PRO A 12 7.222 -5.589 -1.283 1.00 0.00 H new ATOM 0 HB2 PRO A 12 8.338 -8.054 -2.648 1.00 0.00 H new ATOM 0 HB3 PRO A 12 7.155 -6.918 -3.266 1.00 0.00 H new ATOM 0 HG2 PRO A 12 9.631 -6.822 -4.232 1.00 0.00 H new ATOM 0 HG3 PRO A 12 8.816 -5.313 -3.869 1.00 0.00 H new ATOM 0 HD2 PRO A 12 10.892 -6.780 -2.213 1.00 0.00 H new ATOM 0 HD3 PRO A 12 10.790 -5.067 -2.564 1.00 0.00 H new ATOM 180 N THR A 13 6.662 -7.180 0.454 1.00 0.00 N ATOM 181 CA THR A 13 6.282 -8.104 1.508 1.00 0.00 C ATOM 182 C THR A 13 4.799 -8.463 1.394 1.00 0.00 C ATOM 183 O THR A 13 4.084 -7.906 0.563 1.00 0.00 O ATOM 184 CB THR A 13 6.652 -7.469 2.850 1.00 0.00 C ATOM 185 OG1 THR A 13 6.346 -6.088 2.676 1.00 0.00 O ATOM 186 CG2 THR A 13 8.160 -7.487 3.110 1.00 0.00 C ATOM 0 H THR A 13 6.036 -6.383 0.340 1.00 0.00 H new ATOM 0 HA THR A 13 6.820 -9.048 1.419 1.00 0.00 H new ATOM 0 HB THR A 13 6.139 -7.995 3.655 1.00 0.00 H new ATOM 0 HG1 THR A 13 5.384 -5.948 2.802 1.00 0.00 H new ATOM 0 HG21 THR A 13 8.368 -7.025 4.075 1.00 0.00 H new ATOM 0 HG22 THR A 13 8.516 -8.517 3.117 1.00 0.00 H new ATOM 0 HG23 THR A 13 8.671 -6.932 2.324 1.00 0.00 H new ATOM 194 N THR A 14 4.381 -9.392 2.241 1.00 0.00 N ATOM 195 CA THR A 14 2.996 -9.832 2.246 1.00 0.00 C ATOM 196 C THR A 14 2.535 -10.124 3.675 1.00 0.00 C ATOM 197 O THR A 14 3.353 -10.387 4.554 1.00 0.00 O ATOM 198 CB THR A 14 2.880 -11.037 1.311 1.00 0.00 C ATOM 199 OG1 THR A 14 4.084 -11.767 1.534 1.00 0.00 O ATOM 200 CG2 THR A 14 2.952 -10.643 -0.165 1.00 0.00 C ATOM 0 H THR A 14 4.977 -9.852 2.929 1.00 0.00 H new ATOM 0 HA THR A 14 2.331 -9.051 1.877 1.00 0.00 H new ATOM 0 HB THR A 14 1.940 -11.555 1.503 1.00 0.00 H new ATOM 0 HG1 THR A 14 4.091 -12.567 0.968 1.00 0.00 H new ATOM 0 HG21 THR A 14 2.865 -11.536 -0.785 1.00 0.00 H new ATOM 0 HG22 THR A 14 2.137 -9.958 -0.399 1.00 0.00 H new ATOM 0 HG23 THR A 14 3.906 -10.154 -0.365 1.00 0.00 H new ATOM 208 N LYS A 15 1.224 -10.068 3.862 1.00 0.00 N ATOM 209 CA LYS A 15 0.643 -10.324 5.169 1.00 0.00 C ATOM 210 C LYS A 15 -0.723 -10.991 4.994 1.00 0.00 C ATOM 211 O LYS A 15 -1.414 -10.747 4.007 1.00 0.00 O ATOM 212 CB LYS A 15 0.598 -9.037 5.996 1.00 0.00 C ATOM 213 CG LYS A 15 1.969 -8.726 6.601 1.00 0.00 C ATOM 214 CD LYS A 15 1.937 -7.412 7.384 1.00 0.00 C ATOM 215 CE LYS A 15 1.125 -7.560 8.672 1.00 0.00 C ATOM 216 NZ LYS A 15 0.927 -6.242 9.315 1.00 0.00 N ATOM 0 H LYS A 15 0.548 -9.849 3.130 1.00 0.00 H new ATOM 0 HA LYS A 15 1.266 -11.017 5.734 1.00 0.00 H new ATOM 0 HB2 LYS A 15 0.278 -8.207 5.366 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -0.140 -9.137 6.792 1.00 0.00 H new ATOM 0 HG2 LYS A 15 2.272 -9.539 7.260 1.00 0.00 H new ATOM 0 HG3 LYS A 15 2.715 -8.663 5.808 1.00 0.00 H new ATOM 0 HD2 LYS A 15 2.954 -7.103 7.625 1.00 0.00 H new ATOM 0 HD3 LYS A 15 1.504 -6.626 6.765 1.00 0.00 H new ATOM 0 HE2 LYS A 15 0.158 -8.011 8.449 1.00 0.00 H new ATOM 0 HE3 LYS A 15 1.640 -8.232 9.358 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 0.374 -6.361 10.188 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 1.852 -5.826 9.545 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 0.416 -5.612 8.665 1.00 0.00 H new ATOM 230 N THR A 16 -1.070 -11.819 5.968 1.00 0.00 N ATOM 231 CA THR A 16 -2.341 -12.523 5.934 1.00 0.00 C ATOM 232 C THR A 16 -3.482 -11.581 6.324 1.00 0.00 C ATOM 233 O THR A 16 -3.377 -10.843 7.302 1.00 0.00 O ATOM 234 CB THR A 16 -2.227 -13.748 6.842 1.00 0.00 C ATOM 235 OG1 THR A 16 -0.927 -14.264 6.569 1.00 0.00 O ATOM 236 CG2 THR A 16 -3.172 -14.877 6.423 1.00 0.00 C ATOM 0 H THR A 16 -0.494 -12.018 6.786 1.00 0.00 H new ATOM 0 HA THR A 16 -2.576 -12.868 4.927 1.00 0.00 H new ATOM 0 HB THR A 16 -2.441 -13.458 7.871 1.00 0.00 H new ATOM 0 HG1 THR A 16 -0.760 -14.236 5.604 1.00 0.00 H new ATOM 0 HG21 THR A 16 -3.051 -15.723 7.100 1.00 0.00 H new ATOM 0 HG22 THR A 16 -4.202 -14.523 6.464 1.00 0.00 H new ATOM 0 HG23 THR A 16 -2.936 -15.190 5.406 1.00 0.00 H new ATOM 244 N CYS A 17 -4.548 -11.638 5.538 1.00 0.00 N ATOM 245 CA CYS A 17 -5.708 -10.799 5.789 1.00 0.00 C ATOM 246 C CYS A 17 -6.636 -11.540 6.753 1.00 0.00 C ATOM 247 O CYS A 17 -7.078 -12.651 6.465 1.00 0.00 O ATOM 248 CB CYS A 17 -6.421 -10.417 4.490 1.00 0.00 C ATOM 249 SG CYS A 17 -5.309 -10.026 3.090 1.00 0.00 S ATOM 0 H CYS A 17 -4.633 -12.252 4.728 1.00 0.00 H new ATOM 0 HA CYS A 17 -5.390 -9.860 6.242 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -7.076 -11.237 4.197 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -7.058 -9.553 4.682 1.00 0.00 H new ATOM 254 N SER A 18 -6.905 -10.894 7.879 1.00 0.00 N ATOM 255 CA SER A 18 -7.773 -11.478 8.887 1.00 0.00 C ATOM 256 C SER A 18 -9.156 -10.827 8.827 1.00 0.00 C ATOM 257 O SER A 18 -9.293 -9.629 9.072 1.00 0.00 O ATOM 258 CB SER A 18 -7.173 -11.322 10.286 1.00 0.00 C ATOM 259 OG SER A 18 -6.115 -12.248 10.520 1.00 0.00 O ATOM 0 H SER A 18 -6.537 -9.972 8.115 1.00 0.00 H new ATOM 0 HA SER A 18 -7.871 -12.544 8.679 1.00 0.00 H new ATOM 0 HB2 SER A 18 -6.799 -10.306 10.409 1.00 0.00 H new ATOM 0 HB3 SER A 18 -7.953 -11.467 11.033 1.00 0.00 H new ATOM 0 HG SER A 18 -5.758 -12.115 11.423 1.00 0.00 H new ATOM 265 N GLY A 19 -10.146 -11.644 8.501 1.00 0.00 N ATOM 266 CA GLY A 19 -11.514 -11.163 8.406 1.00 0.00 C ATOM 267 C GLY A 19 -11.737 -10.401 7.098 1.00 0.00 C ATOM 268 O GLY A 19 -12.872 -10.082 6.747 1.00 0.00 O ATOM 0 H GLY A 19 -10.028 -12.637 8.299 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -12.204 -12.005 8.463 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -11.734 -10.512 9.252 1.00 0.00 H new ATOM 272 N GLU A 20 -10.636 -10.132 6.412 1.00 0.00 N ATOM 273 CA GLU A 20 -10.698 -9.413 5.150 1.00 0.00 C ATOM 274 C GLU A 20 -10.516 -10.381 3.979 1.00 0.00 C ATOM 275 O GLU A 20 -9.976 -11.473 4.149 1.00 0.00 O ATOM 276 CB GLU A 20 -9.654 -8.296 5.104 1.00 0.00 C ATOM 277 CG GLU A 20 -9.549 -7.587 6.457 1.00 0.00 C ATOM 278 CD GLU A 20 -8.261 -6.766 6.547 1.00 0.00 C ATOM 279 OE1 GLU A 20 -7.185 -7.401 6.586 1.00 0.00 O ATOM 280 OE2 GLU A 20 -8.382 -5.522 6.576 1.00 0.00 O ATOM 0 H GLU A 20 -9.696 -10.399 6.706 1.00 0.00 H new ATOM 0 HA GLU A 20 -11.681 -8.951 5.065 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -8.684 -8.711 4.831 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -9.921 -7.575 4.331 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -10.411 -6.935 6.598 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -9.572 -8.323 7.260 1.00 0.00 H new ATOM 287 N THR A 21 -10.979 -9.946 2.816 1.00 0.00 N ATOM 288 CA THR A 21 -10.875 -10.760 1.617 1.00 0.00 C ATOM 289 C THR A 21 -10.479 -9.896 0.419 1.00 0.00 C ATOM 290 O THR A 21 -10.619 -10.317 -0.728 1.00 0.00 O ATOM 291 CB THR A 21 -12.205 -11.491 1.426 1.00 0.00 C ATOM 292 OG1 THR A 21 -13.190 -10.499 1.701 1.00 0.00 O ATOM 293 CG2 THR A 21 -12.445 -12.561 2.494 1.00 0.00 C ATOM 0 H THR A 21 -11.427 -9.040 2.679 1.00 0.00 H new ATOM 0 HA THR A 21 -10.087 -11.507 1.713 1.00 0.00 H new ATOM 0 HB THR A 21 -12.226 -11.953 0.439 1.00 0.00 H new ATOM 0 HG1 THR A 21 -14.084 -10.888 1.599 1.00 0.00 H new ATOM 0 HG21 THR A 21 -13.402 -13.049 2.311 1.00 0.00 H new ATOM 0 HG22 THR A 21 -11.647 -13.302 2.453 1.00 0.00 H new ATOM 0 HG23 THR A 21 -12.457 -12.095 3.479 1.00 0.00 H new ATOM 301 N ASN A 22 -9.992 -8.702 0.726 1.00 0.00 N ATOM 302 CA ASN A 22 -9.574 -7.775 -0.312 1.00 0.00 C ATOM 303 C ASN A 22 -8.225 -7.163 0.070 1.00 0.00 C ATOM 304 O ASN A 22 -7.880 -7.097 1.249 1.00 0.00 O ATOM 305 CB ASN A 22 -10.582 -6.635 -0.471 1.00 0.00 C ATOM 306 CG ASN A 22 -11.959 -7.173 -0.866 1.00 0.00 C ATOM 307 OD1 ASN A 22 -12.319 -7.237 -2.030 1.00 0.00 O ATOM 308 ND2 ASN A 22 -12.707 -7.554 0.166 1.00 0.00 N ATOM 0 H ASN A 22 -9.878 -8.356 1.679 1.00 0.00 H new ATOM 0 HA ASN A 22 -9.504 -8.328 -1.249 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -10.659 -6.080 0.464 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -10.229 -5.936 -1.229 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -13.643 -7.927 0.007 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -12.344 -7.474 1.116 1.00 0.00 H new ATOM 315 N CYS A 23 -7.497 -6.730 -0.950 1.00 0.00 N ATOM 316 CA CYS A 23 -6.194 -6.126 -0.736 1.00 0.00 C ATOM 317 C CYS A 23 -6.250 -4.677 -1.223 1.00 0.00 C ATOM 318 O CYS A 23 -6.803 -4.397 -2.285 1.00 0.00 O ATOM 319 CB CYS A 23 -5.082 -6.918 -1.427 1.00 0.00 C ATOM 320 SG CYS A 23 -5.055 -8.705 -1.035 1.00 0.00 S ATOM 0 H CYS A 23 -7.786 -6.786 -1.927 1.00 0.00 H new ATOM 0 HA CYS A 23 -5.954 -6.142 0.327 1.00 0.00 H new ATOM 0 HB2 CYS A 23 -5.186 -6.799 -2.505 1.00 0.00 H new ATOM 0 HB3 CYS A 23 -4.121 -6.485 -1.150 1.00 0.00 H new ATOM 325 N TYR A 24 -5.670 -3.794 -0.424 1.00 0.00 N ATOM 326 CA TYR A 24 -5.647 -2.381 -0.761 1.00 0.00 C ATOM 327 C TYR A 24 -4.214 -1.892 -0.979 1.00 0.00 C ATOM 328 O TYR A 24 -3.272 -2.448 -0.416 1.00 0.00 O ATOM 329 CB TYR A 24 -6.244 -1.650 0.444 1.00 0.00 C ATOM 330 CG TYR A 24 -5.263 -1.452 1.601 1.00 0.00 C ATOM 331 CD1 TYR A 24 -4.456 -0.334 1.637 1.00 0.00 C ATOM 332 CD2 TYR A 24 -5.185 -2.392 2.608 1.00 0.00 C ATOM 333 CE1 TYR A 24 -3.532 -0.147 2.726 1.00 0.00 C ATOM 334 CE2 TYR A 24 -4.262 -2.206 3.697 1.00 0.00 C ATOM 335 CZ TYR A 24 -3.481 -1.093 3.702 1.00 0.00 C ATOM 336 OH TYR A 24 -2.608 -0.917 4.731 1.00 0.00 O ATOM 0 H TYR A 24 -5.212 -4.030 0.456 1.00 0.00 H new ATOM 0 HA TYR A 24 -6.204 -2.197 -1.680 1.00 0.00 H new ATOM 0 HB2 TYR A 24 -6.609 -0.675 0.120 1.00 0.00 H new ATOM 0 HB3 TYR A 24 -7.107 -2.210 0.805 1.00 0.00 H new ATOM 0 HD1 TYR A 24 -4.517 0.401 0.848 1.00 0.00 H new ATOM 0 HD2 TYR A 24 -5.817 -3.268 2.579 1.00 0.00 H new ATOM 0 HE1 TYR A 24 -2.895 0.724 2.767 1.00 0.00 H new ATOM 0 HE2 TYR A 24 -4.192 -2.934 4.492 1.00 0.00 H new ATOM 0 HH TYR A 24 -2.839 -1.525 5.464 1.00 0.00 H new ATOM 346 N LYS A 25 -4.094 -0.857 -1.797 1.00 0.00 N ATOM 347 CA LYS A 25 -2.791 -0.287 -2.097 1.00 0.00 C ATOM 348 C LYS A 25 -2.898 1.239 -2.114 1.00 0.00 C ATOM 349 O LYS A 25 -3.609 1.806 -2.942 1.00 0.00 O ATOM 350 CB LYS A 25 -2.233 -0.878 -3.393 1.00 0.00 C ATOM 351 CG LYS A 25 -0.987 -0.117 -3.851 1.00 0.00 C ATOM 352 CD LYS A 25 -0.645 -0.449 -5.305 1.00 0.00 C ATOM 353 CE LYS A 25 0.496 0.433 -5.815 1.00 0.00 C ATOM 354 NZ LYS A 25 -0.035 1.697 -6.372 1.00 0.00 N ATOM 0 H LYS A 25 -4.878 -0.398 -2.262 1.00 0.00 H new ATOM 0 HA LYS A 25 -2.073 -0.548 -1.319 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -1.986 -1.929 -3.241 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -2.994 -0.839 -4.172 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -1.153 0.955 -3.749 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -0.144 -0.372 -3.208 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -0.362 -1.499 -5.385 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -1.526 -0.308 -5.931 1.00 0.00 H new ATOM 0 HE2 LYS A 25 1.188 0.650 -5.001 1.00 0.00 H new ATOM 0 HE3 LYS A 25 1.061 -0.099 -6.580 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 0.734 2.223 -6.835 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -0.777 1.485 -7.069 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -0.435 2.273 -5.605 1.00 0.00 H new ATOM 368 N LYS A 26 -2.182 1.861 -1.189 1.00 0.00 N ATOM 369 CA LYS A 26 -2.188 3.311 -1.087 1.00 0.00 C ATOM 370 C LYS A 26 -0.831 3.855 -1.539 1.00 0.00 C ATOM 371 O LYS A 26 0.206 3.253 -1.264 1.00 0.00 O ATOM 372 CB LYS A 26 -2.586 3.747 0.325 1.00 0.00 C ATOM 373 CG LYS A 26 -2.959 5.231 0.355 1.00 0.00 C ATOM 374 CD LYS A 26 -3.152 5.718 1.793 1.00 0.00 C ATOM 375 CE LYS A 26 -3.639 4.583 2.695 1.00 0.00 C ATOM 376 NZ LYS A 26 -4.189 5.124 3.958 1.00 0.00 N ATOM 0 H LYS A 26 -1.594 1.388 -0.503 1.00 0.00 H new ATOM 0 HA LYS A 26 -2.940 3.737 -1.751 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -3.430 3.149 0.670 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -1.761 3.561 1.013 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -2.177 5.816 -0.129 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -3.875 5.391 -0.213 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -2.211 6.114 2.176 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -3.872 6.536 1.810 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -4.403 4.002 2.178 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -2.815 3.904 2.912 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -4.847 4.434 4.374 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -3.412 5.307 4.625 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -4.695 6.011 3.764 1.00 0.00 H new ATOM 390 N TRP A 27 -0.883 4.987 -2.226 1.00 0.00 N ATOM 391 CA TRP A 27 0.329 5.619 -2.718 1.00 0.00 C ATOM 392 C TRP A 27 0.014 7.089 -3.003 1.00 0.00 C ATOM 393 O TRP A 27 -1.091 7.419 -3.431 1.00 0.00 O ATOM 394 CB TRP A 27 0.876 4.878 -3.940 1.00 0.00 C ATOM 395 CG TRP A 27 0.042 5.070 -5.209 1.00 0.00 C ATOM 396 CD1 TRP A 27 0.237 5.952 -6.198 1.00 0.00 C ATOM 397 CD2 TRP A 27 -1.133 4.322 -5.587 1.00 0.00 C ATOM 398 NE1 TRP A 27 -0.723 5.829 -7.182 1.00 0.00 N ATOM 399 CE2 TRP A 27 -1.582 4.806 -6.798 1.00 0.00 C ATOM 400 CE3 TRP A 27 -1.794 3.272 -4.927 1.00 0.00 C ATOM 401 CZ2 TRP A 27 -2.711 4.300 -7.455 1.00 0.00 C ATOM 402 CZ3 TRP A 27 -2.920 2.777 -5.596 1.00 0.00 C ATOM 403 CH2 TRP A 27 -3.385 3.253 -6.816 1.00 0.00 C ATOM 0 H TRP A 27 -1.745 5.482 -2.453 1.00 0.00 H new ATOM 0 HA TRP A 27 1.120 5.571 -1.969 1.00 0.00 H new ATOM 0 HB2 TRP A 27 1.894 5.217 -4.132 1.00 0.00 H new ATOM 0 HB3 TRP A 27 0.932 3.814 -3.712 1.00 0.00 H new ATOM 0 HD1 TRP A 27 1.044 6.669 -6.222 1.00 0.00 H new ATOM 0 HE1 TRP A 27 -0.790 6.386 -8.034 1.00 0.00 H new ATOM 0 HE3 TRP A 27 -1.460 2.878 -3.979 1.00 0.00 H new ATOM 0 HZ2 TRP A 27 -3.043 4.696 -8.403 1.00 0.00 H new ATOM 0 HZ3 TRP A 27 -3.465 1.969 -5.131 1.00 0.00 H new ATOM 0 HH2 TRP A 27 -4.263 2.817 -7.269 1.00 0.00 H new ATOM 414 N TRP A 28 1.004 7.933 -2.752 1.00 0.00 N ATOM 415 CA TRP A 28 0.846 9.360 -2.976 1.00 0.00 C ATOM 416 C TRP A 28 2.241 9.982 -3.063 1.00 0.00 C ATOM 417 O TRP A 28 3.239 9.319 -2.784 1.00 0.00 O ATOM 418 CB TRP A 28 -0.024 9.992 -1.888 1.00 0.00 C ATOM 419 CG TRP A 28 0.597 9.947 -0.490 1.00 0.00 C ATOM 420 CD1 TRP A 28 1.308 10.901 0.128 1.00 0.00 C ATOM 421 CD2 TRP A 28 0.535 8.849 0.444 1.00 0.00 C ATOM 422 NE1 TRP A 28 1.706 10.500 1.387 1.00 0.00 N ATOM 423 CE2 TRP A 28 1.220 9.212 1.585 1.00 0.00 C ATOM 424 CE3 TRP A 28 -0.082 7.591 0.329 1.00 0.00 C ATOM 425 CZ2 TRP A 28 1.355 8.373 2.698 1.00 0.00 C ATOM 426 CZ3 TRP A 28 0.062 6.764 1.449 1.00 0.00 C ATOM 427 CH2 TRP A 28 0.750 7.115 2.605 1.00 0.00 C ATOM 0 H TRP A 28 1.919 7.656 -2.396 1.00 0.00 H new ATOM 0 HA TRP A 28 0.322 9.548 -3.913 1.00 0.00 H new ATOM 0 HB2 TRP A 28 -0.222 11.031 -2.153 1.00 0.00 H new ATOM 0 HB3 TRP A 28 -0.986 9.480 -1.864 1.00 0.00 H new ATOM 0 HD1 TRP A 28 1.540 11.863 -0.305 1.00 0.00 H new ATOM 0 HE1 TRP A 28 2.255 11.047 2.050 1.00 0.00 H new ATOM 0 HE3 TRP A 28 -0.624 7.287 -0.554 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 1.897 8.680 3.580 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 -0.393 5.785 1.413 1.00 0.00 H new ATOM 0 HH2 TRP A 28 0.817 6.419 3.428 1.00 0.00 H new ATOM 438 N SER A 29 2.267 11.248 -3.451 1.00 0.00 N ATOM 439 CA SER A 29 3.523 11.967 -3.578 1.00 0.00 C ATOM 440 C SER A 29 3.690 12.939 -2.408 1.00 0.00 C ATOM 441 O SER A 29 2.705 13.401 -1.834 1.00 0.00 O ATOM 442 CB SER A 29 3.594 12.720 -4.908 1.00 0.00 C ATOM 443 OG SER A 29 4.939 12.934 -5.329 1.00 0.00 O ATOM 0 H SER A 29 1.438 11.795 -3.682 1.00 0.00 H new ATOM 0 HA SER A 29 4.336 11.242 -3.558 1.00 0.00 H new ATOM 0 HB2 SER A 29 3.060 12.156 -5.673 1.00 0.00 H new ATOM 0 HB3 SER A 29 3.088 13.680 -4.808 1.00 0.00 H new ATOM 0 HG SER A 29 4.942 13.416 -6.182 1.00 0.00 H new ATOM 449 N ASP A 30 4.945 13.222 -2.090 1.00 0.00 N ATOM 450 CA ASP A 30 5.254 14.131 -0.999 1.00 0.00 C ATOM 451 C ASP A 30 6.534 14.900 -1.329 1.00 0.00 C ATOM 452 O ASP A 30 7.259 14.537 -2.254 1.00 0.00 O ATOM 453 CB ASP A 30 5.484 13.366 0.306 1.00 0.00 C ATOM 454 CG ASP A 30 4.304 12.512 0.772 1.00 0.00 C ATOM 455 OD1 ASP A 30 3.910 11.616 -0.005 1.00 0.00 O ATOM 456 OD2 ASP A 30 3.823 12.774 1.896 1.00 0.00 O ATOM 0 H ASP A 30 5.760 12.838 -2.569 1.00 0.00 H new ATOM 0 HA ASP A 30 4.410 14.809 -0.875 1.00 0.00 H new ATOM 0 HB2 ASP A 30 6.354 12.721 0.183 1.00 0.00 H new ATOM 0 HB3 ASP A 30 5.727 14.082 1.091 1.00 0.00 H new ATOM 461 N HIS A 31 6.773 15.948 -0.555 1.00 0.00 N ATOM 462 CA HIS A 31 7.953 16.772 -0.753 1.00 0.00 C ATOM 463 C HIS A 31 9.206 15.965 -0.407 1.00 0.00 C ATOM 464 O HIS A 31 10.324 16.397 -0.685 1.00 0.00 O ATOM 465 CB HIS A 31 7.848 18.073 0.044 1.00 0.00 C ATOM 466 CG HIS A 31 9.165 18.789 0.229 1.00 0.00 C ATOM 467 ND1 HIS A 31 9.976 19.153 -0.832 1.00 0.00 N ATOM 468 CD2 HIS A 31 9.802 19.205 1.361 1.00 0.00 C ATOM 469 CE1 HIS A 31 11.050 19.759 -0.349 1.00 0.00 C ATOM 470 NE2 HIS A 31 10.941 19.789 1.010 1.00 0.00 N ATOM 0 H HIS A 31 6.169 16.246 0.211 1.00 0.00 H new ATOM 0 HA HIS A 31 8.027 17.061 -1.801 1.00 0.00 H new ATOM 0 HB2 HIS A 31 7.151 18.741 -0.462 1.00 0.00 H new ATOM 0 HB3 HIS A 31 7.425 17.853 1.024 1.00 0.00 H new ATOM 0 HD2 HIS A 31 9.441 19.080 2.371 1.00 0.00 H new ATOM 0 HE1 HIS A 31 11.868 20.159 -0.929 1.00 0.00 H new ATOM 0 HE2 HIS A 31 11.623 20.194 1.651 1.00 0.00 H new ATOM 479 N ARG A 32 8.978 14.806 0.194 1.00 0.00 N ATOM 480 CA ARG A 32 10.074 13.935 0.581 1.00 0.00 C ATOM 481 C ARG A 32 10.208 12.778 -0.412 1.00 0.00 C ATOM 482 O ARG A 32 11.299 12.244 -0.604 1.00 0.00 O ATOM 483 CB ARG A 32 9.859 13.370 1.986 1.00 0.00 C ATOM 484 CG ARG A 32 11.127 12.686 2.502 1.00 0.00 C ATOM 485 CD ARG A 32 10.902 12.091 3.894 1.00 0.00 C ATOM 486 NE ARG A 32 12.175 11.561 4.430 1.00 0.00 N ATOM 487 CZ ARG A 32 12.296 10.956 5.619 1.00 0.00 C ATOM 488 NH1 ARG A 32 11.221 10.801 6.404 1.00 0.00 N ATOM 489 NH2 ARG A 32 13.491 10.507 6.025 1.00 0.00 N ATOM 0 H ARG A 32 8.050 14.450 0.422 1.00 0.00 H new ATOM 0 HA ARG A 32 10.988 14.530 0.577 1.00 0.00 H new ATOM 0 HB2 ARG A 32 9.573 14.173 2.665 1.00 0.00 H new ATOM 0 HB3 ARG A 32 9.036 12.656 1.973 1.00 0.00 H new ATOM 0 HG2 ARG A 32 11.427 11.899 1.810 1.00 0.00 H new ATOM 0 HG3 ARG A 32 11.944 13.407 2.538 1.00 0.00 H new ATOM 0 HD2 ARG A 32 10.505 12.853 4.564 1.00 0.00 H new ATOM 0 HD3 ARG A 32 10.160 11.294 3.842 1.00 0.00 H new ATOM 0 HE ARG A 32 13.013 11.663 3.858 1.00 0.00 H new ATOM 0 HH11 ARG A 32 10.311 11.144 6.096 1.00 0.00 H new ATOM 0 HH12 ARG A 32 11.313 10.340 7.309 1.00 0.00 H new ATOM 0 HH21 ARG A 32 14.310 10.626 5.429 1.00 0.00 H new ATOM 0 HH22 ARG A 32 13.582 10.046 6.931 1.00 0.00 H new ATOM 503 N GLY A 33 9.083 12.425 -1.016 1.00 0.00 N ATOM 504 CA GLY A 33 9.061 11.342 -1.984 1.00 0.00 C ATOM 505 C GLY A 33 7.665 10.724 -2.083 1.00 0.00 C ATOM 506 O GLY A 33 6.721 11.212 -1.464 1.00 0.00 O ATOM 0 H GLY A 33 8.180 12.870 -0.854 1.00 0.00 H new ATOM 0 HA2 GLY A 33 9.367 11.716 -2.961 1.00 0.00 H new ATOM 0 HA3 GLY A 33 9.782 10.577 -1.696 1.00 0.00 H new ATOM 510 N THR A 34 7.579 9.659 -2.867 1.00 0.00 N ATOM 511 CA THR A 34 6.314 8.970 -3.056 1.00 0.00 C ATOM 512 C THR A 34 6.103 7.931 -1.952 1.00 0.00 C ATOM 513 O THR A 34 6.846 6.956 -1.862 1.00 0.00 O ATOM 514 CB THR A 34 6.308 8.370 -4.464 1.00 0.00 C ATOM 515 OG1 THR A 34 5.977 9.469 -5.308 1.00 0.00 O ATOM 516 CG2 THR A 34 5.160 7.381 -4.674 1.00 0.00 C ATOM 0 H THR A 34 8.365 9.257 -3.378 1.00 0.00 H new ATOM 0 HA THR A 34 5.473 9.659 -2.977 1.00 0.00 H new ATOM 0 HB THR A 34 7.258 7.868 -4.649 1.00 0.00 H new ATOM 0 HG1 THR A 34 5.953 9.169 -6.241 1.00 0.00 H new ATOM 0 HG21 THR A 34 5.202 6.985 -5.689 1.00 0.00 H new ATOM 0 HG22 THR A 34 5.250 6.562 -3.961 1.00 0.00 H new ATOM 0 HG23 THR A 34 4.208 7.891 -4.523 1.00 0.00 H new ATOM 524 N ILE A 35 5.085 8.177 -1.140 1.00 0.00 N ATOM 525 CA ILE A 35 4.767 7.275 -0.046 1.00 0.00 C ATOM 526 C ILE A 35 3.777 6.216 -0.535 1.00 0.00 C ATOM 527 O ILE A 35 2.803 6.538 -1.215 1.00 0.00 O ATOM 528 CB ILE A 35 4.274 8.062 1.170 1.00 0.00 C ATOM 529 CG1 ILE A 35 5.324 9.076 1.629 1.00 0.00 C ATOM 530 CG2 ILE A 35 3.856 7.119 2.300 1.00 0.00 C ATOM 531 CD1 ILE A 35 4.964 9.656 2.998 1.00 0.00 C ATOM 0 H ILE A 35 4.470 8.987 -1.218 1.00 0.00 H new ATOM 0 HA ILE A 35 5.661 6.747 0.285 1.00 0.00 H new ATOM 0 HB ILE A 35 3.388 8.626 0.876 1.00 0.00 H new ATOM 0 HG12 ILE A 35 6.301 8.596 1.679 1.00 0.00 H new ATOM 0 HG13 ILE A 35 5.402 9.881 0.898 1.00 0.00 H new ATOM 0 HG21 ILE A 35 3.510 7.704 3.152 1.00 0.00 H new ATOM 0 HG22 ILE A 35 3.051 6.470 1.954 1.00 0.00 H new ATOM 0 HG23 ILE A 35 4.709 6.510 2.600 1.00 0.00 H new ATOM 0 HD11 ILE A 35 5.726 10.374 3.301 1.00 0.00 H new ATOM 0 HD12 ILE A 35 3.998 10.157 2.938 1.00 0.00 H new ATOM 0 HD13 ILE A 35 4.911 8.851 3.732 1.00 0.00 H new ATOM 543 N ILE A 36 4.060 4.974 -0.171 1.00 0.00 N ATOM 544 CA ILE A 36 3.207 3.866 -0.564 1.00 0.00 C ATOM 545 C ILE A 36 2.860 3.032 0.671 1.00 0.00 C ATOM 546 O ILE A 36 3.749 2.516 1.346 1.00 0.00 O ATOM 547 CB ILE A 36 3.860 3.059 -1.688 1.00 0.00 C ATOM 548 CG1 ILE A 36 4.522 3.982 -2.713 1.00 0.00 C ATOM 549 CG2 ILE A 36 2.853 2.108 -2.338 1.00 0.00 C ATOM 550 CD1 ILE A 36 5.187 3.175 -3.829 1.00 0.00 C ATOM 0 H ILE A 36 4.869 4.711 0.392 1.00 0.00 H new ATOM 0 HA ILE A 36 2.267 4.236 -0.974 1.00 0.00 H new ATOM 0 HB ILE A 36 4.648 2.444 -1.253 1.00 0.00 H new ATOM 0 HG12 ILE A 36 3.776 4.652 -3.139 1.00 0.00 H new ATOM 0 HG13 ILE A 36 5.266 4.607 -2.218 1.00 0.00 H new ATOM 0 HG21 ILE A 36 3.344 1.547 -3.133 1.00 0.00 H new ATOM 0 HG22 ILE A 36 2.470 1.416 -1.588 1.00 0.00 H new ATOM 0 HG23 ILE A 36 2.027 2.683 -2.756 1.00 0.00 H new ATOM 0 HD11 ILE A 36 5.650 3.855 -4.544 1.00 0.00 H new ATOM 0 HD12 ILE A 36 5.950 2.523 -3.402 1.00 0.00 H new ATOM 0 HD13 ILE A 36 4.436 2.570 -4.338 1.00 0.00 H new ATOM 562 N GLU A 37 1.565 2.925 0.929 1.00 0.00 N ATOM 563 CA GLU A 37 1.089 2.163 2.071 1.00 0.00 C ATOM 564 C GLU A 37 0.058 1.125 1.623 1.00 0.00 C ATOM 565 O GLU A 37 -1.030 1.480 1.173 1.00 0.00 O ATOM 566 CB GLU A 37 0.508 3.086 3.143 1.00 0.00 C ATOM 567 CG GLU A 37 0.294 2.333 4.458 1.00 0.00 C ATOM 568 CD GLU A 37 -0.104 3.293 5.581 1.00 0.00 C ATOM 569 OE1 GLU A 37 0.643 4.274 5.780 1.00 0.00 O ATOM 570 OE2 GLU A 37 -1.147 3.023 6.214 1.00 0.00 O ATOM 0 H GLU A 37 0.830 3.354 0.366 1.00 0.00 H new ATOM 0 HA GLU A 37 1.937 1.638 2.512 1.00 0.00 H new ATOM 0 HB2 GLU A 37 1.181 3.927 3.307 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -0.440 3.499 2.798 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -0.482 1.579 4.327 1.00 0.00 H new ATOM 0 HG3 GLU A 37 1.208 1.806 4.732 1.00 0.00 H new ATOM 577 N ARG A 38 0.437 -0.137 1.764 1.00 0.00 N ATOM 578 CA ARG A 38 -0.442 -1.229 1.380 1.00 0.00 C ATOM 579 C ARG A 38 -0.663 -2.174 2.563 1.00 0.00 C ATOM 580 O ARG A 38 0.120 -2.180 3.512 1.00 0.00 O ATOM 581 CB ARG A 38 0.142 -2.020 0.207 1.00 0.00 C ATOM 582 CG ARG A 38 0.808 -1.086 -0.806 1.00 0.00 C ATOM 583 CD ARG A 38 1.474 -1.883 -1.930 1.00 0.00 C ATOM 584 NE ARG A 38 2.650 -1.146 -2.444 1.00 0.00 N ATOM 585 CZ ARG A 38 2.905 -0.953 -3.746 1.00 0.00 C ATOM 586 NH1 ARG A 38 2.070 -1.442 -4.672 1.00 0.00 N ATOM 587 NH2 ARG A 38 3.997 -0.272 -4.120 1.00 0.00 N ATOM 0 H ARG A 38 1.340 -0.428 2.139 1.00 0.00 H new ATOM 0 HA ARG A 38 -1.394 -0.796 1.074 1.00 0.00 H new ATOM 0 HB2 ARG A 38 0.871 -2.741 0.577 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -0.649 -2.589 -0.282 1.00 0.00 H new ATOM 0 HG2 ARG A 38 0.064 -0.409 -1.226 1.00 0.00 H new ATOM 0 HG3 ARG A 38 1.552 -0.469 -0.303 1.00 0.00 H new ATOM 0 HD2 ARG A 38 1.781 -2.862 -1.561 1.00 0.00 H new ATOM 0 HD3 ARG A 38 0.761 -2.055 -2.737 1.00 0.00 H new ATOM 0 HE ARG A 38 3.307 -0.761 -1.766 1.00 0.00 H new ATOM 0 HH11 ARG A 38 1.240 -1.961 -4.387 1.00 0.00 H new ATOM 0 HH12 ARG A 38 2.264 -1.295 -5.662 1.00 0.00 H new ATOM 0 HH21 ARG A 38 4.633 0.099 -3.414 1.00 0.00 H new ATOM 0 HH22 ARG A 38 4.192 -0.125 -5.110 1.00 0.00 H new ATOM 601 N GLY A 39 -1.733 -2.950 2.468 1.00 0.00 N ATOM 602 CA GLY A 39 -2.067 -3.896 3.518 1.00 0.00 C ATOM 603 C GLY A 39 -3.304 -4.716 3.145 1.00 0.00 C ATOM 604 O GLY A 39 -3.800 -4.622 2.024 1.00 0.00 O ATOM 0 H GLY A 39 -2.380 -2.942 1.679 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -1.223 -4.563 3.693 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -2.249 -3.361 4.450 1.00 0.00 H new ATOM 608 N CYS A 40 -3.766 -5.501 4.107 1.00 0.00 N ATOM 609 CA CYS A 40 -4.935 -6.336 3.894 1.00 0.00 C ATOM 610 C CYS A 40 -6.184 -5.488 4.143 1.00 0.00 C ATOM 611 O CYS A 40 -6.150 -4.543 4.930 1.00 0.00 O ATOM 612 CB CYS A 40 -4.908 -7.584 4.778 1.00 0.00 C ATOM 613 SG CYS A 40 -3.849 -8.942 4.158 1.00 0.00 S ATOM 0 H CYS A 40 -3.352 -5.576 5.036 1.00 0.00 H new ATOM 0 HA CYS A 40 -4.942 -6.699 2.866 1.00 0.00 H new ATOM 0 HB2 CYS A 40 -4.565 -7.300 5.773 1.00 0.00 H new ATOM 0 HB3 CYS A 40 -5.926 -7.957 4.887 1.00 0.00 H new ATOM 618 N GLY A 41 -7.257 -5.855 3.457 1.00 0.00 N ATOM 619 CA GLY A 41 -8.514 -5.140 3.594 1.00 0.00 C ATOM 620 C GLY A 41 -8.666 -4.084 2.497 1.00 0.00 C ATOM 621 O GLY A 41 -7.911 -4.080 1.526 1.00 0.00 O ATOM 0 H GLY A 41 -7.281 -6.639 2.805 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -9.344 -5.844 3.544 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -8.560 -4.662 4.573 1.00 0.00 H new ATOM 625 N CYS A 42 -9.646 -3.214 2.690 1.00 0.00 N ATOM 626 CA CYS A 42 -9.907 -2.155 1.729 1.00 0.00 C ATOM 627 C CYS A 42 -10.368 -0.914 2.495 1.00 0.00 C ATOM 628 O CYS A 42 -11.551 -0.576 2.483 1.00 0.00 O ATOM 629 CB CYS A 42 -10.928 -2.587 0.675 1.00 0.00 C ATOM 630 SG CYS A 42 -11.430 -1.270 -0.493 1.00 0.00 S ATOM 0 H CYS A 42 -10.269 -3.220 3.497 1.00 0.00 H new ATOM 0 HA CYS A 42 -8.993 -1.924 1.182 1.00 0.00 H new ATOM 0 HB2 CYS A 42 -10.512 -3.419 0.106 1.00 0.00 H new ATOM 0 HB3 CYS A 42 -11.817 -2.961 1.183 1.00 0.00 H new ATOM 635 N PRO A 43 -9.410 -0.268 3.143 1.00 0.00 N ATOM 636 CA PRO A 43 -9.625 0.942 3.939 1.00 0.00 C ATOM 637 C PRO A 43 -9.960 2.133 3.038 1.00 0.00 C ATOM 638 O PRO A 43 -10.026 1.992 1.818 1.00 0.00 O ATOM 639 CB PRO A 43 -8.281 1.150 4.639 1.00 0.00 C ATOM 640 CG PRO A 43 -7.291 0.519 3.703 1.00 0.00 C ATOM 641 CD PRO A 43 -8.005 -0.682 3.149 1.00 0.00 C ATOM 0 HA PRO A 43 -10.458 0.851 4.636 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -8.069 2.208 4.792 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -8.263 0.676 5.620 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -7.000 1.208 2.910 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -6.379 0.232 4.226 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -7.655 -0.931 2.147 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -7.849 -1.564 3.770 1.00 0.00 H new ATOM 649 N LYS A 44 -10.163 3.277 3.674 1.00 0.00 N ATOM 650 CA LYS A 44 -10.489 4.491 2.944 1.00 0.00 C ATOM 651 C LYS A 44 -9.352 5.501 3.109 1.00 0.00 C ATOM 652 O LYS A 44 -8.785 5.632 4.193 1.00 0.00 O ATOM 653 CB LYS A 44 -11.855 5.026 3.379 1.00 0.00 C ATOM 654 CG LYS A 44 -12.536 5.782 2.236 1.00 0.00 C ATOM 655 CD LYS A 44 -14.058 5.752 2.390 1.00 0.00 C ATOM 656 CE LYS A 44 -14.476 6.183 3.797 1.00 0.00 C ATOM 657 NZ LYS A 44 -14.389 5.043 4.736 1.00 0.00 N ATOM 0 H LYS A 44 -10.108 3.389 4.686 1.00 0.00 H new ATOM 0 HA LYS A 44 -10.578 4.283 1.878 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -12.488 4.199 3.701 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -11.734 5.688 4.237 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -12.189 6.815 2.220 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -12.254 5.337 1.282 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -14.515 6.413 1.653 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -14.428 4.746 2.189 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -13.834 6.994 4.141 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -15.495 6.569 3.778 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -15.219 5.045 5.363 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -14.363 4.152 4.199 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -13.524 5.129 5.307 1.00 0.00 H new ATOM 671 N VAL A 45 -9.053 6.190 2.018 1.00 0.00 N ATOM 672 CA VAL A 45 -7.994 7.185 2.028 1.00 0.00 C ATOM 673 C VAL A 45 -8.600 8.572 1.808 1.00 0.00 C ATOM 674 O VAL A 45 -9.740 8.691 1.359 1.00 0.00 O ATOM 675 CB VAL A 45 -6.929 6.826 0.988 1.00 0.00 C ATOM 676 CG1 VAL A 45 -6.402 5.407 1.210 1.00 0.00 C ATOM 677 CG2 VAL A 45 -7.472 6.993 -0.432 1.00 0.00 C ATOM 0 H VAL A 45 -9.526 6.079 1.121 1.00 0.00 H new ATOM 0 HA VAL A 45 -7.493 7.199 2.996 1.00 0.00 H new ATOM 0 HB VAL A 45 -6.094 7.516 1.111 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -5.647 5.177 0.458 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -5.959 5.335 2.203 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -7.224 4.696 1.127 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -6.696 6.732 -1.151 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -8.332 6.338 -0.572 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -7.776 8.028 -0.586 1.00 0.00 H new ATOM 687 N LYS A 46 -7.813 9.586 2.134 1.00 0.00 N ATOM 688 CA LYS A 46 -8.258 10.960 1.978 1.00 0.00 C ATOM 689 C LYS A 46 -7.977 11.423 0.547 1.00 0.00 C ATOM 690 O LYS A 46 -7.292 10.736 -0.208 1.00 0.00 O ATOM 691 CB LYS A 46 -7.627 11.853 3.049 1.00 0.00 C ATOM 692 CG LYS A 46 -7.550 11.126 4.393 1.00 0.00 C ATOM 693 CD LYS A 46 -7.628 12.117 5.557 1.00 0.00 C ATOM 694 CE LYS A 46 -6.236 12.620 5.943 1.00 0.00 C ATOM 695 NZ LYS A 46 -5.524 11.607 6.753 1.00 0.00 N ATOM 0 H LYS A 46 -6.869 9.483 2.506 1.00 0.00 H new ATOM 0 HA LYS A 46 -9.335 11.031 2.131 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -6.627 12.152 2.735 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -8.213 12.766 3.158 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -8.365 10.406 4.468 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -6.619 10.562 4.453 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -8.259 12.961 5.279 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -8.097 11.638 6.417 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -5.662 12.844 5.044 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -6.322 13.549 6.506 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -4.624 12.003 7.091 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -6.112 11.338 7.568 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -5.335 10.767 6.170 1.00 0.00 H new ATOM 709 N PRO A 47 -8.522 12.586 0.218 1.00 0.00 N ATOM 710 CA PRO A 47 -8.385 13.220 -1.094 1.00 0.00 C ATOM 711 C PRO A 47 -6.906 13.459 -1.404 1.00 0.00 C ATOM 712 O PRO A 47 -6.162 13.945 -0.554 1.00 0.00 O ATOM 713 CB PRO A 47 -9.105 14.559 -0.927 1.00 0.00 C ATOM 714 CG PRO A 47 -10.078 14.305 0.188 1.00 0.00 C ATOM 715 CD PRO A 47 -9.337 13.396 1.127 1.00 0.00 C ATOM 0 HA PRO A 47 -8.791 12.616 -1.905 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -8.409 15.359 -0.676 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -9.615 14.856 -1.843 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -10.370 15.233 0.680 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -10.992 13.838 -0.180 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -8.722 13.956 1.831 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -10.017 12.782 1.717 1.00 0.00 H new ATOM 723 N GLY A 48 -6.524 13.108 -2.623 1.00 0.00 N ATOM 724 CA GLY A 48 -5.147 13.279 -3.055 1.00 0.00 C ATOM 725 C GLY A 48 -4.393 11.948 -3.022 1.00 0.00 C ATOM 726 O GLY A 48 -3.538 11.694 -3.870 1.00 0.00 O ATOM 0 H GLY A 48 -7.144 12.706 -3.326 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -5.127 13.687 -4.065 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -4.646 14.001 -2.410 1.00 0.00 H new ATOM 730 N VAL A 49 -4.735 11.134 -2.034 1.00 0.00 N ATOM 731 CA VAL A 49 -4.101 9.836 -1.880 1.00 0.00 C ATOM 732 C VAL A 49 -4.758 8.836 -2.834 1.00 0.00 C ATOM 733 O VAL A 49 -5.958 8.914 -3.091 1.00 0.00 O ATOM 734 CB VAL A 49 -4.163 9.395 -0.416 1.00 0.00 C ATOM 735 CG1 VAL A 49 -3.110 8.324 -0.122 1.00 0.00 C ATOM 736 CG2 VAL A 49 -4.006 10.591 0.525 1.00 0.00 C ATOM 0 H VAL A 49 -5.443 11.349 -1.332 1.00 0.00 H new ATOM 0 HA VAL A 49 -3.045 9.892 -2.145 1.00 0.00 H new ATOM 0 HB VAL A 49 -5.146 8.957 -0.239 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -3.175 8.028 0.925 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -3.287 7.456 -0.757 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -2.117 8.725 -0.325 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -4.054 10.249 1.559 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -3.044 11.071 0.346 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -4.808 11.306 0.342 1.00 0.00 H new ATOM 746 N ASN A 50 -3.941 7.920 -3.333 1.00 0.00 N ATOM 747 CA ASN A 50 -4.427 6.906 -4.253 1.00 0.00 C ATOM 748 C ASN A 50 -4.681 5.607 -3.486 1.00 0.00 C ATOM 749 O ASN A 50 -3.936 5.268 -2.567 1.00 0.00 O ATOM 750 CB ASN A 50 -3.397 6.615 -5.346 1.00 0.00 C ATOM 751 CG ASN A 50 -3.400 7.716 -6.409 1.00 0.00 C ATOM 752 OD1 ASN A 50 -4.234 7.753 -7.299 1.00 0.00 O ATOM 753 ND2 ASN A 50 -2.423 8.607 -6.267 1.00 0.00 N ATOM 0 H ASN A 50 -2.946 7.859 -3.118 1.00 0.00 H new ATOM 0 HA ASN A 50 -5.344 7.278 -4.711 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -2.404 6.535 -4.903 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -3.617 5.654 -5.812 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -2.339 9.381 -6.926 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -1.758 8.517 -5.499 1.00 0.00 H new ATOM 760 N LEU A 51 -5.736 4.914 -3.890 1.00 0.00 N ATOM 761 CA LEU A 51 -6.098 3.660 -3.252 1.00 0.00 C ATOM 762 C LEU A 51 -6.649 2.697 -4.306 1.00 0.00 C ATOM 763 O LEU A 51 -7.398 3.104 -5.192 1.00 0.00 O ATOM 764 CB LEU A 51 -7.056 3.909 -2.086 1.00 0.00 C ATOM 765 CG LEU A 51 -7.664 2.663 -1.439 1.00 0.00 C ATOM 766 CD1 LEU A 51 -6.572 1.683 -1.003 1.00 0.00 C ATOM 767 CD2 LEU A 51 -8.590 3.042 -0.282 1.00 0.00 C ATOM 0 H LEU A 51 -6.352 5.198 -4.652 1.00 0.00 H new ATOM 0 HA LEU A 51 -5.218 3.187 -2.816 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -6.524 4.470 -1.318 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -7.869 4.544 -2.439 1.00 0.00 H new ATOM 0 HG LEU A 51 -8.274 2.154 -2.185 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -7.031 0.806 -0.546 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -5.990 1.377 -1.872 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -5.916 2.167 -0.280 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -9.009 2.138 0.160 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -8.024 3.587 0.474 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -9.398 3.672 -0.654 1.00 0.00 H new ATOM 779 N ASN A 52 -6.257 1.439 -4.174 1.00 0.00 N ATOM 780 CA ASN A 52 -6.702 0.415 -5.104 1.00 0.00 C ATOM 781 C ASN A 52 -7.027 -0.864 -4.330 1.00 0.00 C ATOM 782 O ASN A 52 -6.167 -1.415 -3.645 1.00 0.00 O ATOM 783 CB ASN A 52 -5.611 0.085 -6.125 1.00 0.00 C ATOM 784 CG ASN A 52 -5.945 -1.197 -6.890 1.00 0.00 C ATOM 785 OD1 ASN A 52 -5.595 -2.296 -6.494 1.00 0.00 O ATOM 786 ND2 ASN A 52 -6.641 -0.995 -8.005 1.00 0.00 N ATOM 0 H ASN A 52 -5.636 1.105 -3.437 1.00 0.00 H new ATOM 0 HA ASN A 52 -7.581 0.793 -5.626 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -5.502 0.913 -6.826 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -4.654 -0.030 -5.616 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -6.914 -1.787 -8.586 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -6.902 -0.048 -8.279 1.00 0.00 H new ATOM 793 N CYS A 53 -8.272 -1.299 -4.464 1.00 0.00 N ATOM 794 CA CYS A 53 -8.721 -2.503 -3.786 1.00 0.00 C ATOM 795 C CYS A 53 -8.969 -3.584 -4.840 1.00 0.00 C ATOM 796 O CYS A 53 -9.391 -3.283 -5.955 1.00 0.00 O ATOM 797 CB CYS A 53 -9.964 -2.241 -2.933 1.00 0.00 C ATOM 798 SG CYS A 53 -9.769 -0.927 -1.675 1.00 0.00 S ATOM 0 H CYS A 53 -8.983 -0.839 -5.032 1.00 0.00 H new ATOM 0 HA CYS A 53 -7.951 -2.843 -3.094 1.00 0.00 H new ATOM 0 HB2 CYS A 53 -10.790 -1.974 -3.592 1.00 0.00 H new ATOM 0 HB3 CYS A 53 -10.244 -3.167 -2.430 1.00 0.00 H new ATOM 803 N CYS A 54 -8.697 -4.820 -4.449 1.00 0.00 N ATOM 804 CA CYS A 54 -8.885 -5.948 -5.346 1.00 0.00 C ATOM 805 C CYS A 54 -9.162 -7.193 -4.501 1.00 0.00 C ATOM 806 O CYS A 54 -8.882 -7.209 -3.303 1.00 0.00 O ATOM 807 CB CYS A 54 -7.682 -6.141 -6.271 1.00 0.00 C ATOM 808 SG CYS A 54 -6.056 -5.841 -5.488 1.00 0.00 S ATOM 0 H CYS A 54 -8.348 -5.066 -3.523 1.00 0.00 H new ATOM 0 HA CYS A 54 -9.736 -5.758 -6.000 1.00 0.00 H new ATOM 0 HB2 CYS A 54 -7.700 -7.159 -6.660 1.00 0.00 H new ATOM 0 HB3 CYS A 54 -7.787 -5.472 -7.125 1.00 0.00 H new ATOM 813 N ARG A 55 -9.708 -8.205 -5.158 1.00 0.00 N ATOM 814 CA ARG A 55 -10.025 -9.452 -4.482 1.00 0.00 C ATOM 815 C ARG A 55 -9.123 -10.577 -4.993 1.00 0.00 C ATOM 816 O ARG A 55 -9.598 -11.672 -5.291 1.00 0.00 O ATOM 817 CB ARG A 55 -11.489 -9.841 -4.703 1.00 0.00 C ATOM 818 CG ARG A 55 -12.430 -8.794 -4.105 1.00 0.00 C ATOM 819 CD ARG A 55 -13.734 -8.711 -4.901 1.00 0.00 C ATOM 820 NE ARG A 55 -14.601 -9.866 -4.575 1.00 0.00 N ATOM 821 CZ ARG A 55 -15.223 -10.030 -3.400 1.00 0.00 C ATOM 822 NH1 ARG A 55 -15.078 -9.115 -2.432 1.00 0.00 N ATOM 823 NH2 ARG A 55 -15.989 -11.109 -3.193 1.00 0.00 N ATOM 0 H ARG A 55 -9.939 -8.187 -6.151 1.00 0.00 H new ATOM 0 HA ARG A 55 -9.857 -9.303 -3.415 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -11.685 -9.944 -5.770 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -11.684 -10.812 -4.248 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -12.649 -9.046 -3.067 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -11.940 -7.820 -4.100 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -14.252 -7.780 -4.670 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -13.517 -8.698 -5.969 1.00 0.00 H new ATOM 0 HE ARG A 55 -14.733 -10.582 -5.290 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -14.494 -8.294 -2.590 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -15.552 -9.240 -1.537 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -16.099 -11.806 -3.930 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -16.463 -11.234 -2.298 1.00 0.00 H new ATOM 837 N THR A 56 -7.837 -10.269 -5.078 1.00 0.00 N ATOM 838 CA THR A 56 -6.864 -11.241 -5.547 1.00 0.00 C ATOM 839 C THR A 56 -5.647 -11.266 -4.621 1.00 0.00 C ATOM 840 O THR A 56 -5.240 -10.231 -4.097 1.00 0.00 O ATOM 841 CB THR A 56 -6.518 -10.900 -6.998 1.00 0.00 C ATOM 842 OG1 THR A 56 -6.578 -9.477 -7.044 1.00 0.00 O ATOM 843 CG2 THR A 56 -7.600 -11.351 -7.980 1.00 0.00 C ATOM 0 H THR A 56 -7.446 -9.360 -4.830 1.00 0.00 H new ATOM 0 HA THR A 56 -7.271 -12.252 -5.524 1.00 0.00 H new ATOM 0 HB THR A 56 -5.570 -11.367 -7.264 1.00 0.00 H new ATOM 0 HG1 THR A 56 -6.365 -9.170 -7.950 1.00 0.00 H new ATOM 0 HG21 THR A 56 -7.304 -11.085 -8.995 1.00 0.00 H new ATOM 0 HG22 THR A 56 -7.727 -12.431 -7.911 1.00 0.00 H new ATOM 0 HG23 THR A 56 -8.541 -10.859 -7.735 1.00 0.00 H new ATOM 851 N ASP A 57 -5.100 -12.461 -4.449 1.00 0.00 N ATOM 852 CA ASP A 57 -3.937 -12.635 -3.595 1.00 0.00 C ATOM 853 C ASP A 57 -2.773 -11.812 -4.152 1.00 0.00 C ATOM 854 O ASP A 57 -2.565 -11.764 -5.363 1.00 0.00 O ATOM 855 CB ASP A 57 -3.501 -14.100 -3.551 1.00 0.00 C ATOM 856 CG ASP A 57 -4.585 -15.085 -3.108 1.00 0.00 C ATOM 857 OD1 ASP A 57 -4.793 -15.185 -1.880 1.00 0.00 O ATOM 858 OD2 ASP A 57 -5.182 -15.714 -4.008 1.00 0.00 O ATOM 0 H ASP A 57 -5.440 -13.317 -4.886 1.00 0.00 H new ATOM 0 HA ASP A 57 -4.204 -12.308 -2.590 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -3.152 -14.389 -4.542 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -2.651 -14.190 -2.875 1.00 0.00 H new ATOM 863 N ARG A 58 -2.045 -11.184 -3.240 1.00 0.00 N ATOM 864 CA ARG A 58 -0.908 -10.365 -3.625 1.00 0.00 C ATOM 865 C ARG A 58 -1.245 -9.538 -4.867 1.00 0.00 C ATOM 866 O ARG A 58 -0.409 -9.377 -5.755 1.00 0.00 O ATOM 867 CB ARG A 58 0.321 -11.230 -3.914 1.00 0.00 C ATOM 868 CG ARG A 58 0.428 -12.383 -2.914 1.00 0.00 C ATOM 869 CD ARG A 58 1.852 -12.938 -2.868 1.00 0.00 C ATOM 870 NE ARG A 58 2.040 -13.751 -1.645 1.00 0.00 N ATOM 871 CZ ARG A 58 1.472 -14.948 -1.444 1.00 0.00 C ATOM 872 NH1 ARG A 58 0.678 -15.479 -2.383 1.00 0.00 N ATOM 873 NH2 ARG A 58 1.699 -15.614 -0.303 1.00 0.00 N ATOM 0 H ARG A 58 -2.220 -11.226 -2.236 1.00 0.00 H new ATOM 0 HA ARG A 58 -0.682 -9.699 -2.792 1.00 0.00 H new ATOM 0 HB2 ARG A 58 0.260 -11.627 -4.927 1.00 0.00 H new ATOM 0 HB3 ARG A 58 1.221 -10.617 -3.865 1.00 0.00 H new ATOM 0 HG2 ARG A 58 0.136 -12.037 -1.922 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -0.266 -13.176 -3.192 1.00 0.00 H new ATOM 0 HD2 ARG A 58 2.042 -13.547 -3.752 1.00 0.00 H new ATOM 0 HD3 ARG A 58 2.571 -12.119 -2.884 1.00 0.00 H new ATOM 0 HE ARG A 58 2.639 -13.377 -0.909 1.00 0.00 H new ATOM 0 HH11 ARG A 58 0.506 -14.972 -3.251 1.00 0.00 H new ATOM 0 HH12 ARG A 58 0.246 -16.390 -2.230 1.00 0.00 H new ATOM 0 HH21 ARG A 58 2.304 -15.210 0.412 1.00 0.00 H new ATOM 0 HH22 ARG A 58 1.267 -16.525 -0.150 1.00 0.00 H new ATOM 887 N CYS A 59 -2.471 -9.036 -4.890 1.00 0.00 N ATOM 888 CA CYS A 59 -2.929 -8.230 -6.009 1.00 0.00 C ATOM 889 C CYS A 59 -2.535 -6.775 -5.745 1.00 0.00 C ATOM 890 O CYS A 59 -2.396 -5.987 -6.680 1.00 0.00 O ATOM 891 CB CYS A 59 -4.434 -8.382 -6.237 1.00 0.00 C ATOM 892 SG CYS A 59 -5.486 -7.657 -4.927 1.00 0.00 S ATOM 0 H CYS A 59 -3.161 -9.172 -4.152 1.00 0.00 H new ATOM 0 HA CYS A 59 -2.453 -8.573 -6.927 1.00 0.00 H new ATOM 0 HB2 CYS A 59 -4.692 -7.918 -7.189 1.00 0.00 H new ATOM 0 HB3 CYS A 59 -4.668 -9.443 -6.326 1.00 0.00 H new ATOM 897 N ASN A 60 -2.368 -6.463 -4.469 1.00 0.00 N ATOM 898 CA ASN A 60 -1.993 -5.117 -4.071 1.00 0.00 C ATOM 899 C ASN A 60 -0.474 -5.043 -3.903 1.00 0.00 C ATOM 900 O ASN A 60 0.020 -4.508 -2.912 1.00 0.00 O ATOM 901 CB ASN A 60 -2.635 -4.739 -2.734 1.00 0.00 C ATOM 902 CG ASN A 60 -2.060 -5.580 -1.593 1.00 0.00 C ATOM 903 OD1 ASN A 60 -1.796 -6.763 -1.731 1.00 0.00 O ATOM 904 ND2 ASN A 60 -1.883 -4.906 -0.460 1.00 0.00 N ATOM 0 H ASN A 60 -2.485 -7.119 -3.697 1.00 0.00 H new ATOM 0 HA ASN A 60 -2.336 -4.429 -4.844 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -2.466 -3.681 -2.532 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -3.714 -4.885 -2.790 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -1.505 -5.379 0.361 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -2.125 -3.916 -0.412 1.00 0.00 H new ATOM 911 N ASN A 61 0.225 -5.588 -4.888 1.00 0.00 N ATOM 912 CA ASN A 61 1.678 -5.591 -4.862 1.00 0.00 C ATOM 913 C ASN A 61 2.187 -4.149 -4.897 1.00 0.00 C ATOM 914 O ASN A 61 2.638 -3.680 -3.830 1.00 0.00 O ATOM 915 CB ASN A 61 2.249 -6.324 -6.078 1.00 0.00 C ATOM 916 CG ASN A 61 1.406 -7.553 -6.423 1.00 0.00 C ATOM 917 OD1 ASN A 61 0.318 -7.459 -6.967 1.00 0.00 O ATOM 918 ND2 ASN A 61 1.967 -8.708 -6.077 1.00 0.00 N ATOM 919 OXT ASN A 61 2.114 -3.548 -5.991 1.00 0.00 O ATOM 0 H ASN A 61 -0.188 -6.031 -5.709 1.00 0.00 H new ATOM 0 HA ASN A 61 1.998 -6.098 -3.952 1.00 0.00 H new ATOM 0 HB2 ASN A 61 2.280 -5.648 -6.933 1.00 0.00 H new ATOM 0 HB3 ASN A 61 3.276 -6.628 -5.875 1.00 0.00 H new ATOM 0 HD21 ASN A 61 1.483 -9.586 -6.264 1.00 0.00 H new ATOM 0 HD22 ASN A 61 2.881 -8.716 -5.624 1.00 0.00 H new