USER MOD reduce.3.24.130724 H: found=0, std=0, add=468, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 466 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 11 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 38 LYS NZ :NH3+ 175:sc= 0.0595 (180deg=0.013) USER MOD Single : A 1 GLY N :NH3+ -126:sc= 0.0708 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 TYR OH : rot 30:sc= -1.74 USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 19 SER OG : rot 82:sc= -2.23! USER MOD Single : A 26 THR OG1 : rot -91:sc= 0.0654 USER MOD Single : A 28 THR OG1 : rot 180:sc= 0.0455 USER MOD Single : A 36 THR OG1 : rot 180:sc= -0.263 USER MOD Single : A 37 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 44 THR OG1 : rot 180:sc=-0.00706 USER MOD Single : A 46 SER OG : rot 75:sc= -0.0367 USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 56 SER OG : rot -82:sc= 0.515 USER MOD Single : A 57 ASN : amide:sc= -2.76! C(o=-2.8!,f=-2.5!) USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 LYS NZ :NH3+ 147:sc= -0.657 (180deg=-1.28) USER MOD Single : A 64 SER OG : rot 51:sc= 1.18 USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -1.207 -4.175 -23.135 1.00 0.00 N ATOM 2 CA GLY A 1 0.062 -4.298 -22.439 1.00 0.00 C ATOM 3 C GLY A 1 0.071 -3.453 -21.163 1.00 0.00 C ATOM 4 O GLY A 1 -0.985 -3.115 -20.631 1.00 0.00 O ATOM 0 H1 GLY A 1 -1.606 -5.121 -23.300 1.00 0.00 H new ATOM 0 H2 GLY A 1 -1.867 -3.617 -22.557 1.00 0.00 H new ATOM 0 H3 GLY A 1 -1.058 -3.699 -24.047 1.00 0.00 H new ATOM 0 HA2 GLY A 1 0.244 -5.343 -22.189 1.00 0.00 H new ATOM 0 HA3 GLY A 1 0.873 -3.981 -23.095 1.00 0.00 H new ATOM 8 N SER A 2 1.275 -3.136 -20.710 1.00 0.00 N ATOM 9 CA SER A 2 1.436 -2.337 -19.507 1.00 0.00 C ATOM 10 C SER A 2 2.278 -1.096 -19.812 1.00 0.00 C ATOM 11 O SER A 2 1.825 0.030 -19.611 1.00 0.00 O ATOM 12 CB SER A 2 2.082 -3.154 -18.386 1.00 0.00 C ATOM 13 OG SER A 2 1.273 -3.183 -17.213 1.00 0.00 O ATOM 0 H SER A 2 2.149 -3.418 -21.155 1.00 0.00 H new ATOM 0 HA SER A 2 0.448 -2.024 -19.169 1.00 0.00 H new ATOM 0 HB2 SER A 2 2.254 -4.173 -18.733 1.00 0.00 H new ATOM 0 HB3 SER A 2 3.057 -2.730 -18.144 1.00 0.00 H new ATOM 0 HG SER A 2 1.719 -3.715 -16.521 1.00 0.00 H new ATOM 19 N SER A 3 3.487 -1.344 -20.293 1.00 0.00 N ATOM 20 CA SER A 3 4.396 -0.261 -20.627 1.00 0.00 C ATOM 21 C SER A 3 4.585 0.656 -19.417 1.00 0.00 C ATOM 22 O SER A 3 3.940 1.698 -19.316 1.00 0.00 O ATOM 23 CB SER A 3 3.880 0.541 -21.824 1.00 0.00 C ATOM 24 OG SER A 3 4.935 1.202 -22.518 1.00 0.00 O ATOM 0 H SER A 3 3.858 -2.279 -20.459 1.00 0.00 H new ATOM 0 HA SER A 3 5.358 -0.694 -20.901 1.00 0.00 H new ATOM 0 HB2 SER A 3 3.357 -0.126 -22.509 1.00 0.00 H new ATOM 0 HB3 SER A 3 3.154 1.278 -21.481 1.00 0.00 H new ATOM 0 HG SER A 3 4.565 1.702 -23.276 1.00 0.00 H new ATOM 30 N GLY A 4 5.473 0.234 -18.529 1.00 0.00 N ATOM 31 CA GLY A 4 5.756 1.004 -17.329 1.00 0.00 C ATOM 32 C GLY A 4 7.234 0.903 -16.948 1.00 0.00 C ATOM 33 O GLY A 4 8.034 0.340 -17.694 1.00 0.00 O ATOM 0 H GLY A 4 6.006 -0.631 -18.616 1.00 0.00 H new ATOM 0 HA2 GLY A 4 5.489 2.048 -17.492 1.00 0.00 H new ATOM 0 HA3 GLY A 4 5.139 0.642 -16.506 1.00 0.00 H new ATOM 37 N SER A 5 7.552 1.456 -15.787 1.00 0.00 N ATOM 38 CA SER A 5 8.920 1.435 -15.298 1.00 0.00 C ATOM 39 C SER A 5 8.963 0.840 -13.889 1.00 0.00 C ATOM 40 O SER A 5 7.924 0.654 -13.258 1.00 0.00 O ATOM 41 CB SER A 5 9.528 2.840 -15.299 1.00 0.00 C ATOM 42 OG SER A 5 10.875 2.838 -15.764 1.00 0.00 O ATOM 0 H SER A 5 6.886 1.921 -15.171 1.00 0.00 H new ATOM 0 HA SER A 5 9.512 0.812 -15.968 1.00 0.00 H new ATOM 0 HB2 SER A 5 8.927 3.495 -15.931 1.00 0.00 H new ATOM 0 HB3 SER A 5 9.493 3.251 -14.290 1.00 0.00 H new ATOM 0 HG SER A 5 11.227 3.753 -15.751 1.00 0.00 H new ATOM 48 N SER A 6 10.176 0.559 -13.436 1.00 0.00 N ATOM 49 CA SER A 6 10.368 -0.011 -12.114 1.00 0.00 C ATOM 50 C SER A 6 10.717 1.093 -11.114 1.00 0.00 C ATOM 51 O SER A 6 11.662 1.850 -11.325 1.00 0.00 O ATOM 52 CB SER A 6 11.463 -1.080 -12.128 1.00 0.00 C ATOM 53 OG SER A 6 11.159 -2.144 -13.026 1.00 0.00 O ATOM 0 H SER A 6 11.036 0.716 -13.962 1.00 0.00 H new ATOM 0 HA SER A 6 9.437 -0.488 -11.809 1.00 0.00 H new ATOM 0 HB2 SER A 6 12.411 -0.624 -12.414 1.00 0.00 H new ATOM 0 HB3 SER A 6 11.592 -1.480 -11.122 1.00 0.00 H new ATOM 0 HG SER A 6 11.883 -2.805 -13.007 1.00 0.00 H new ATOM 59 N GLY A 7 9.934 1.149 -10.046 1.00 0.00 N ATOM 60 CA GLY A 7 10.148 2.147 -9.013 1.00 0.00 C ATOM 61 C GLY A 7 8.945 2.228 -8.071 1.00 0.00 C ATOM 62 O GLY A 7 8.139 3.154 -8.165 1.00 0.00 O ATOM 0 H GLY A 7 9.150 0.519 -9.874 1.00 0.00 H new ATOM 0 HA2 GLY A 7 11.044 1.900 -8.444 1.00 0.00 H new ATOM 0 HA3 GLY A 7 10.321 3.120 -9.473 1.00 0.00 H new ATOM 66 N GLY A 8 8.860 1.247 -7.185 1.00 0.00 N ATOM 67 CA GLY A 8 7.769 1.196 -6.227 1.00 0.00 C ATOM 68 C GLY A 8 8.025 0.129 -5.160 1.00 0.00 C ATOM 69 O GLY A 8 8.770 -0.821 -5.394 1.00 0.00 O ATOM 0 H GLY A 8 9.529 0.481 -7.110 1.00 0.00 H new ATOM 0 HA2 GLY A 8 7.652 2.170 -5.752 1.00 0.00 H new ATOM 0 HA3 GLY A 8 6.835 0.980 -6.746 1.00 0.00 H new ATOM 73 N GLU A 9 7.393 0.323 -4.012 1.00 0.00 N ATOM 74 CA GLU A 9 7.543 -0.611 -2.909 1.00 0.00 C ATOM 75 C GLU A 9 6.185 -1.204 -2.527 1.00 0.00 C ATOM 76 O GLU A 9 5.262 -0.472 -2.170 1.00 0.00 O ATOM 77 CB GLU A 9 8.205 0.063 -1.706 1.00 0.00 C ATOM 78 CG GLU A 9 9.713 0.208 -1.920 1.00 0.00 C ATOM 79 CD GLU A 9 10.466 0.117 -0.591 1.00 0.00 C ATOM 80 OE1 GLU A 9 9.908 0.610 0.413 1.00 0.00 O ATOM 81 OE2 GLU A 9 11.584 -0.443 -0.610 1.00 0.00 O ATOM 0 H GLU A 9 6.776 1.113 -3.822 1.00 0.00 H new ATOM 0 HA GLU A 9 8.194 -1.423 -3.232 1.00 0.00 H new ATOM 0 HB2 GLU A 9 7.761 1.045 -1.545 1.00 0.00 H new ATOM 0 HB3 GLU A 9 8.016 -0.523 -0.807 1.00 0.00 H new ATOM 0 HG2 GLU A 9 10.065 -0.572 -2.596 1.00 0.00 H new ATOM 0 HG3 GLU A 9 9.926 1.164 -2.398 1.00 0.00 H new ATOM 88 N GLU A 10 6.105 -2.523 -2.614 1.00 0.00 N ATOM 89 CA GLU A 10 4.875 -3.222 -2.282 1.00 0.00 C ATOM 90 C GLU A 10 4.650 -3.210 -0.769 1.00 0.00 C ATOM 91 O GLU A 10 5.595 -3.359 0.005 1.00 0.00 O ATOM 92 CB GLU A 10 4.895 -4.654 -2.821 1.00 0.00 C ATOM 93 CG GLU A 10 4.696 -4.671 -4.338 1.00 0.00 C ATOM 94 CD GLU A 10 6.040 -4.635 -5.068 1.00 0.00 C ATOM 95 OE1 GLU A 10 6.891 -5.487 -4.733 1.00 0.00 O ATOM 96 OE2 GLU A 10 6.187 -3.756 -5.945 1.00 0.00 O ATOM 0 H GLU A 10 6.872 -3.127 -2.910 1.00 0.00 H new ATOM 0 HA GLU A 10 4.044 -2.701 -2.758 1.00 0.00 H new ATOM 0 HB2 GLU A 10 5.844 -5.128 -2.570 1.00 0.00 H new ATOM 0 HB3 GLU A 10 4.110 -5.238 -2.341 1.00 0.00 H new ATOM 0 HG2 GLU A 10 4.146 -5.567 -4.626 1.00 0.00 H new ATOM 0 HG3 GLU A 10 4.092 -3.815 -4.639 1.00 0.00 H new ATOM 103 N TYR A 11 3.392 -3.031 -0.391 1.00 0.00 N ATOM 104 CA TYR A 11 3.031 -2.997 1.016 1.00 0.00 C ATOM 105 C TYR A 11 1.709 -3.727 1.260 1.00 0.00 C ATOM 106 O TYR A 11 0.813 -3.695 0.417 1.00 0.00 O ATOM 107 CB TYR A 11 2.857 -1.519 1.371 1.00 0.00 C ATOM 108 CG TYR A 11 4.120 -0.861 1.930 1.00 0.00 C ATOM 109 CD1 TYR A 11 4.370 -0.891 3.287 1.00 0.00 C ATOM 110 CD2 TYR A 11 5.008 -0.236 1.078 1.00 0.00 C ATOM 111 CE1 TYR A 11 5.559 -0.271 3.814 1.00 0.00 C ATOM 112 CE2 TYR A 11 6.196 0.383 1.605 1.00 0.00 C ATOM 113 CZ TYR A 11 6.413 0.335 2.947 1.00 0.00 C ATOM 114 OH TYR A 11 7.535 0.920 3.444 1.00 0.00 O ATOM 0 H TYR A 11 2.611 -2.908 -1.035 1.00 0.00 H new ATOM 0 HA TYR A 11 3.796 -3.485 1.621 1.00 0.00 H new ATOM 0 HB2 TYR A 11 2.541 -0.977 0.480 1.00 0.00 H new ATOM 0 HB3 TYR A 11 2.055 -1.424 2.103 1.00 0.00 H new ATOM 0 HD1 TYR A 11 3.675 -1.379 3.954 1.00 0.00 H new ATOM 0 HD2 TYR A 11 4.812 -0.211 0.016 1.00 0.00 H new ATOM 0 HE1 TYR A 11 5.767 -0.287 4.874 1.00 0.00 H new ATOM 0 HE2 TYR A 11 6.899 0.875 0.949 1.00 0.00 H new ATOM 0 HH TYR A 11 8.052 1.313 2.710 1.00 0.00 H new ATOM 124 N ILE A 12 1.628 -4.367 2.417 1.00 0.00 N ATOM 125 CA ILE A 12 0.430 -5.104 2.783 1.00 0.00 C ATOM 126 C ILE A 12 -0.412 -4.258 3.740 1.00 0.00 C ATOM 127 O ILE A 12 0.109 -3.708 4.709 1.00 0.00 O ATOM 128 CB ILE A 12 0.797 -6.481 3.340 1.00 0.00 C ATOM 129 CG1 ILE A 12 1.660 -7.262 2.347 1.00 0.00 C ATOM 130 CG2 ILE A 12 -0.456 -7.259 3.747 1.00 0.00 C ATOM 131 CD1 ILE A 12 0.792 -8.119 1.423 1.00 0.00 C ATOM 0 H ILE A 12 2.373 -4.391 3.114 1.00 0.00 H new ATOM 0 HA ILE A 12 -0.183 -5.295 1.902 1.00 0.00 H new ATOM 0 HB ILE A 12 1.394 -6.338 4.241 1.00 0.00 H new ATOM 0 HG12 ILE A 12 2.255 -6.569 1.753 1.00 0.00 H new ATOM 0 HG13 ILE A 12 2.359 -7.899 2.889 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -0.167 -8.234 4.140 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -0.996 -6.704 4.514 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -1.099 -7.394 2.877 1.00 0.00 H new ATOM 0 HD11 ILE A 12 1.430 -8.664 0.727 1.00 0.00 H new ATOM 0 HD12 ILE A 12 0.216 -8.828 2.018 1.00 0.00 H new ATOM 0 HD13 ILE A 12 0.111 -7.477 0.865 1.00 0.00 H new ATOM 143 N ALA A 13 -1.698 -4.179 3.434 1.00 0.00 N ATOM 144 CA ALA A 13 -2.617 -3.409 4.255 1.00 0.00 C ATOM 145 C ALA A 13 -2.738 -4.066 5.631 1.00 0.00 C ATOM 146 O ALA A 13 -3.179 -5.209 5.741 1.00 0.00 O ATOM 147 CB ALA A 13 -3.967 -3.296 3.542 1.00 0.00 C ATOM 0 H ALA A 13 -2.126 -4.636 2.629 1.00 0.00 H new ATOM 0 HA ALA A 13 -2.242 -2.397 4.405 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -4.656 -2.718 4.158 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -3.831 -2.796 2.583 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -4.376 -4.293 3.377 1.00 0.00 H new ATOM 153 N LEU A 14 -2.338 -3.315 6.647 1.00 0.00 N ATOM 154 CA LEU A 14 -2.395 -3.811 8.012 1.00 0.00 C ATOM 155 C LEU A 14 -3.826 -3.680 8.537 1.00 0.00 C ATOM 156 O LEU A 14 -4.352 -4.606 9.153 1.00 0.00 O ATOM 157 CB LEU A 14 -1.354 -3.105 8.882 1.00 0.00 C ATOM 158 CG LEU A 14 0.110 -3.395 8.545 1.00 0.00 C ATOM 159 CD1 LEU A 14 1.045 -2.457 9.310 1.00 0.00 C ATOM 160 CD2 LEU A 14 0.448 -4.867 8.792 1.00 0.00 C ATOM 0 H LEU A 14 -1.973 -2.367 6.552 1.00 0.00 H new ATOM 0 HA LEU A 14 -2.138 -4.870 8.044 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -1.517 -2.030 8.808 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -1.529 -3.383 9.921 1.00 0.00 H new ATOM 0 HG LEU A 14 0.260 -3.203 7.483 1.00 0.00 H new ATOM 0 HD11 LEU A 14 2.079 -2.685 9.052 1.00 0.00 H new ATOM 0 HD12 LEU A 14 0.823 -1.424 9.042 1.00 0.00 H new ATOM 0 HD13 LEU A 14 0.900 -2.593 10.382 1.00 0.00 H new ATOM 0 HD21 LEU A 14 1.494 -5.047 8.545 1.00 0.00 H new ATOM 0 HD22 LEU A 14 0.276 -5.109 9.841 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -0.186 -5.496 8.166 1.00 0.00 H new ATOM 172 N TYR A 15 -4.416 -2.523 8.274 1.00 0.00 N ATOM 173 CA TYR A 15 -5.776 -2.259 8.712 1.00 0.00 C ATOM 174 C TYR A 15 -6.609 -1.653 7.581 1.00 0.00 C ATOM 175 O TYR A 15 -6.069 -0.997 6.691 1.00 0.00 O ATOM 176 CB TYR A 15 -5.663 -1.242 9.849 1.00 0.00 C ATOM 177 CG TYR A 15 -4.822 -1.723 11.033 1.00 0.00 C ATOM 178 CD1 TYR A 15 -3.444 -1.700 10.956 1.00 0.00 C ATOM 179 CD2 TYR A 15 -5.441 -2.179 12.179 1.00 0.00 C ATOM 180 CE1 TYR A 15 -2.653 -2.152 12.071 1.00 0.00 C ATOM 181 CE2 TYR A 15 -4.650 -2.632 13.294 1.00 0.00 C ATOM 182 CZ TYR A 15 -3.295 -2.596 13.185 1.00 0.00 C ATOM 183 OH TYR A 15 -2.548 -3.024 14.238 1.00 0.00 O ATOM 0 H TYR A 15 -3.977 -1.757 7.763 1.00 0.00 H new ATOM 0 HA TYR A 15 -6.265 -3.182 9.024 1.00 0.00 H new ATOM 0 HB2 TYR A 15 -5.228 -0.322 9.458 1.00 0.00 H new ATOM 0 HB3 TYR A 15 -6.664 -0.996 10.204 1.00 0.00 H new ATOM 0 HD1 TYR A 15 -2.959 -1.343 10.059 1.00 0.00 H new ATOM 0 HD2 TYR A 15 -6.519 -2.196 12.240 1.00 0.00 H new ATOM 0 HE1 TYR A 15 -1.574 -2.139 12.024 1.00 0.00 H new ATOM 0 HE2 TYR A 15 -5.122 -2.992 14.196 1.00 0.00 H new ATOM 0 HH TYR A 15 -3.140 -3.311 14.964 1.00 0.00 H new ATOM 193 N PRO A 16 -7.944 -1.899 7.655 1.00 0.00 N ATOM 194 CA PRO A 16 -8.857 -1.384 6.648 1.00 0.00 C ATOM 195 C PRO A 16 -9.089 0.117 6.835 1.00 0.00 C ATOM 196 O PRO A 16 -9.645 0.542 7.846 1.00 0.00 O ATOM 197 CB PRO A 16 -10.126 -2.206 6.811 1.00 0.00 C ATOM 198 CG PRO A 16 -10.046 -2.827 8.196 1.00 0.00 C ATOM 199 CD PRO A 16 -8.618 -2.671 8.695 1.00 0.00 C ATOM 0 HA PRO A 16 -8.464 -1.478 5.636 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -11.012 -1.579 6.715 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -10.195 -2.975 6.042 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -10.743 -2.337 8.875 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -10.325 -3.880 8.159 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -8.588 -2.154 9.654 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -8.141 -3.640 8.840 1.00 0.00 H new ATOM 207 N TYR A 17 -8.649 0.878 5.843 1.00 0.00 N ATOM 208 CA TYR A 17 -8.802 2.323 5.885 1.00 0.00 C ATOM 209 C TYR A 17 -9.889 2.787 4.914 1.00 0.00 C ATOM 210 O TYR A 17 -9.770 2.596 3.705 1.00 0.00 O ATOM 211 CB TYR A 17 -7.457 2.902 5.441 1.00 0.00 C ATOM 212 CG TYR A 17 -7.522 4.369 5.013 1.00 0.00 C ATOM 213 CD1 TYR A 17 -7.427 5.369 5.960 1.00 0.00 C ATOM 214 CD2 TYR A 17 -7.676 4.693 3.681 1.00 0.00 C ATOM 215 CE1 TYR A 17 -7.488 6.750 5.558 1.00 0.00 C ATOM 216 CE2 TYR A 17 -7.737 6.075 3.278 1.00 0.00 C ATOM 217 CZ TYR A 17 -7.640 7.035 4.237 1.00 0.00 C ATOM 218 OH TYR A 17 -7.698 8.339 3.857 1.00 0.00 O ATOM 0 H TYR A 17 -8.187 0.522 5.006 1.00 0.00 H new ATOM 0 HA TYR A 17 -9.089 2.650 6.884 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -6.743 2.804 6.259 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -7.074 2.309 4.611 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -7.307 5.115 7.003 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -7.751 3.911 2.940 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -7.415 7.542 6.289 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -7.857 6.343 2.239 1.00 0.00 H new ATOM 0 HH TYR A 17 -7.171 8.884 4.477 1.00 0.00 H new ATOM 228 N SER A 18 -10.925 3.389 5.480 1.00 0.00 N ATOM 229 CA SER A 18 -12.033 3.883 4.680 1.00 0.00 C ATOM 230 C SER A 18 -11.997 5.411 4.623 1.00 0.00 C ATOM 231 O SER A 18 -12.158 6.078 5.645 1.00 0.00 O ATOM 232 CB SER A 18 -13.374 3.403 5.239 1.00 0.00 C ATOM 233 OG SER A 18 -13.394 3.420 6.664 1.00 0.00 O ATOM 0 H SER A 18 -11.020 3.546 6.483 1.00 0.00 H new ATOM 0 HA SER A 18 -11.929 3.486 3.670 1.00 0.00 H new ATOM 0 HB2 SER A 18 -14.174 4.037 4.857 1.00 0.00 H new ATOM 0 HB3 SER A 18 -13.573 2.391 4.885 1.00 0.00 H new ATOM 0 HG SER A 18 -14.267 3.109 6.983 1.00 0.00 H new ATOM 239 N SER A 19 -11.786 5.923 3.419 1.00 0.00 N ATOM 240 CA SER A 19 -11.728 7.360 3.216 1.00 0.00 C ATOM 241 C SER A 19 -13.055 7.862 2.644 1.00 0.00 C ATOM 242 O SER A 19 -13.580 7.289 1.691 1.00 0.00 O ATOM 243 CB SER A 19 -10.572 7.739 2.288 1.00 0.00 C ATOM 244 OG SER A 19 -10.807 7.321 0.945 1.00 0.00 O ATOM 0 H SER A 19 -11.653 5.367 2.574 1.00 0.00 H new ATOM 0 HA SER A 19 -11.554 7.835 4.181 1.00 0.00 H new ATOM 0 HB2 SER A 19 -10.427 8.819 2.312 1.00 0.00 H new ATOM 0 HB3 SER A 19 -9.650 7.286 2.653 1.00 0.00 H new ATOM 0 HG SER A 19 -11.379 7.976 0.494 1.00 0.00 H new ATOM 250 N VAL A 20 -13.558 8.928 3.250 1.00 0.00 N ATOM 251 CA VAL A 20 -14.814 9.514 2.812 1.00 0.00 C ATOM 252 C VAL A 20 -14.624 10.145 1.432 1.00 0.00 C ATOM 253 O VAL A 20 -15.584 10.305 0.681 1.00 0.00 O ATOM 254 CB VAL A 20 -15.321 10.507 3.860 1.00 0.00 C ATOM 255 CG1 VAL A 20 -15.524 9.822 5.212 1.00 0.00 C ATOM 256 CG2 VAL A 20 -14.372 11.701 3.987 1.00 0.00 C ATOM 0 H VAL A 20 -13.119 9.401 4.040 1.00 0.00 H new ATOM 0 HA VAL A 20 -15.581 8.746 2.714 1.00 0.00 H new ATOM 0 HB VAL A 20 -16.289 10.881 3.526 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -15.885 10.550 5.938 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -16.256 9.021 5.108 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -14.577 9.406 5.555 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -14.755 12.392 4.738 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -13.384 11.350 4.286 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -14.300 12.212 3.027 1.00 0.00 H new ATOM 266 N GLU A 21 -13.377 10.487 1.139 1.00 0.00 N ATOM 267 CA GLU A 21 -13.049 11.097 -0.138 1.00 0.00 C ATOM 268 C GLU A 21 -12.520 10.041 -1.110 1.00 0.00 C ATOM 269 O GLU A 21 -11.749 9.165 -0.722 1.00 0.00 O ATOM 270 CB GLU A 21 -12.039 12.233 0.041 1.00 0.00 C ATOM 271 CG GLU A 21 -12.665 13.411 0.790 1.00 0.00 C ATOM 272 CD GLU A 21 -12.753 14.647 -0.107 1.00 0.00 C ATOM 273 OE1 GLU A 21 -13.028 14.455 -1.311 1.00 0.00 O ATOM 274 OE2 GLU A 21 -12.543 15.755 0.431 1.00 0.00 O ATOM 0 H GLU A 21 -12.582 10.353 1.764 1.00 0.00 H new ATOM 0 HA GLU A 21 -13.958 11.526 -0.558 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -11.170 11.869 0.590 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -11.684 12.565 -0.934 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -13.661 13.138 1.137 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -12.071 13.641 1.675 1.00 0.00 H new ATOM 281 N PRO A 22 -12.968 10.162 -2.389 1.00 0.00 N ATOM 282 CA PRO A 22 -12.548 9.229 -3.420 1.00 0.00 C ATOM 283 C PRO A 22 -11.110 9.509 -3.861 1.00 0.00 C ATOM 284 O PRO A 22 -10.578 8.820 -4.730 1.00 0.00 O ATOM 285 CB PRO A 22 -13.558 9.403 -4.543 1.00 0.00 C ATOM 286 CG PRO A 22 -14.226 10.747 -4.298 1.00 0.00 C ATOM 287 CD PRO A 22 -13.882 11.187 -2.885 1.00 0.00 C ATOM 0 HA PRO A 22 -12.533 8.196 -3.072 1.00 0.00 H new ATOM 0 HB2 PRO A 22 -13.068 9.382 -5.516 1.00 0.00 H new ATOM 0 HB3 PRO A 22 -14.291 8.596 -4.538 1.00 0.00 H new ATOM 0 HG2 PRO A 22 -13.879 11.484 -5.022 1.00 0.00 H new ATOM 0 HG3 PRO A 22 -15.306 10.664 -4.420 1.00 0.00 H new ATOM 0 HD2 PRO A 22 -13.413 12.171 -2.880 1.00 0.00 H new ATOM 0 HD3 PRO A 22 -14.775 11.256 -2.263 1.00 0.00 H new ATOM 295 N GLY A 23 -10.521 10.521 -3.241 1.00 0.00 N ATOM 296 CA GLY A 23 -9.155 10.900 -3.558 1.00 0.00 C ATOM 297 C GLY A 23 -8.154 9.981 -2.854 1.00 0.00 C ATOM 298 O GLY A 23 -7.169 9.554 -3.455 1.00 0.00 O ATOM 0 H GLY A 23 -10.965 11.090 -2.520 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -9.002 10.853 -4.636 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -8.981 11.933 -3.256 1.00 0.00 H new ATOM 302 N ASP A 24 -8.440 9.704 -1.591 1.00 0.00 N ATOM 303 CA ASP A 24 -7.577 8.844 -0.799 1.00 0.00 C ATOM 304 C ASP A 24 -7.818 7.386 -1.193 1.00 0.00 C ATOM 305 O ASP A 24 -8.963 6.947 -1.295 1.00 0.00 O ATOM 306 CB ASP A 24 -7.878 8.987 0.694 1.00 0.00 C ATOM 307 CG ASP A 24 -6.696 9.443 1.552 1.00 0.00 C ATOM 308 OD1 ASP A 24 -5.951 8.551 2.013 1.00 0.00 O ATOM 309 OD2 ASP A 24 -6.563 10.673 1.726 1.00 0.00 O ATOM 0 H ASP A 24 -9.258 10.060 -1.096 1.00 0.00 H new ATOM 0 HA ASP A 24 -6.544 9.136 -0.988 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -8.694 9.699 0.818 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -8.232 8.028 1.071 1.00 0.00 H new ATOM 314 N LEU A 25 -6.720 6.674 -1.404 1.00 0.00 N ATOM 315 CA LEU A 25 -6.798 5.274 -1.784 1.00 0.00 C ATOM 316 C LEU A 25 -7.459 4.479 -0.657 1.00 0.00 C ATOM 317 O LEU A 25 -6.949 4.441 0.462 1.00 0.00 O ATOM 318 CB LEU A 25 -5.416 4.749 -2.178 1.00 0.00 C ATOM 319 CG LEU A 25 -5.390 3.388 -2.878 1.00 0.00 C ATOM 320 CD1 LEU A 25 -5.820 3.516 -4.341 1.00 0.00 C ATOM 321 CD2 LEU A 25 -4.017 2.727 -2.740 1.00 0.00 C ATOM 0 H LEU A 25 -5.772 7.041 -1.319 1.00 0.00 H new ATOM 0 HA LEU A 25 -7.424 5.154 -2.668 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -4.944 5.481 -2.833 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -4.804 4.685 -1.279 1.00 0.00 H new ATOM 0 HG LEU A 25 -6.112 2.736 -2.386 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -5.793 2.535 -4.815 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -6.834 3.914 -4.389 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -5.140 4.190 -4.862 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -4.025 1.762 -3.246 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -3.258 3.367 -3.191 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -3.788 2.581 -1.684 1.00 0.00 H new ATOM 333 N THR A 26 -8.584 3.865 -0.990 1.00 0.00 N ATOM 334 CA THR A 26 -9.321 3.073 -0.019 1.00 0.00 C ATOM 335 C THR A 26 -9.017 1.585 -0.204 1.00 0.00 C ATOM 336 O THR A 26 -9.058 1.073 -1.321 1.00 0.00 O ATOM 337 CB THR A 26 -10.806 3.412 -0.162 1.00 0.00 C ATOM 338 OG1 THR A 26 -11.007 3.506 -1.570 1.00 0.00 O ATOM 339 CG2 THR A 26 -11.140 4.813 0.356 1.00 0.00 C ATOM 0 H THR A 26 -9.004 3.900 -1.919 1.00 0.00 H new ATOM 0 HA THR A 26 -9.015 3.311 1.000 1.00 0.00 H new ATOM 0 HB THR A 26 -11.400 2.674 0.378 1.00 0.00 H new ATOM 0 HG1 THR A 26 -10.868 4.432 -1.859 1.00 0.00 H new ATOM 0 HG21 THR A 26 -12.206 5.003 0.231 1.00 0.00 H new ATOM 0 HG22 THR A 26 -10.881 4.882 1.412 1.00 0.00 H new ATOM 0 HG23 THR A 26 -10.571 5.554 -0.206 1.00 0.00 H new ATOM 347 N PHE A 27 -8.718 0.933 0.910 1.00 0.00 N ATOM 348 CA PHE A 27 -8.407 -0.486 0.886 1.00 0.00 C ATOM 349 C PHE A 27 -8.732 -1.142 2.229 1.00 0.00 C ATOM 350 O PHE A 27 -8.980 -0.452 3.217 1.00 0.00 O ATOM 351 CB PHE A 27 -6.905 -0.611 0.620 1.00 0.00 C ATOM 352 CG PHE A 27 -6.031 0.118 1.643 1.00 0.00 C ATOM 353 CD1 PHE A 27 -5.977 -0.323 2.928 1.00 0.00 C ATOM 354 CD2 PHE A 27 -5.307 1.206 1.266 1.00 0.00 C ATOM 355 CE1 PHE A 27 -5.165 0.354 3.877 1.00 0.00 C ATOM 356 CE2 PHE A 27 -4.495 1.882 2.215 1.00 0.00 C ATOM 357 CZ PHE A 27 -4.442 1.442 3.500 1.00 0.00 C ATOM 0 H PHE A 27 -8.685 1.361 1.835 1.00 0.00 H new ATOM 0 HA PHE A 27 -8.999 -0.983 0.117 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -6.634 -1.667 0.612 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -6.688 -0.219 -0.374 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -6.551 -1.187 3.227 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -5.350 1.556 0.245 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -5.122 0.004 4.898 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -3.920 2.746 1.916 1.00 0.00 H new ATOM 0 HZ PHE A 27 -3.825 1.957 4.222 1.00 0.00 H new ATOM 367 N THR A 28 -8.720 -2.467 2.223 1.00 0.00 N ATOM 368 CA THR A 28 -9.010 -3.224 3.429 1.00 0.00 C ATOM 369 C THR A 28 -7.767 -3.986 3.893 1.00 0.00 C ATOM 370 O THR A 28 -6.791 -4.099 3.151 1.00 0.00 O ATOM 371 CB THR A 28 -10.207 -4.132 3.141 1.00 0.00 C ATOM 372 OG1 THR A 28 -9.989 -4.581 1.806 1.00 0.00 O ATOM 373 CG2 THR A 28 -11.524 -3.358 3.063 1.00 0.00 C ATOM 0 H THR A 28 -8.514 -3.036 1.402 1.00 0.00 H new ATOM 0 HA THR A 28 -9.275 -2.564 4.255 1.00 0.00 H new ATOM 0 HB THR A 28 -10.279 -4.894 3.917 1.00 0.00 H new ATOM 0 HG1 THR A 28 -10.719 -5.178 1.538 1.00 0.00 H new ATOM 0 HG21 THR A 28 -12.341 -4.050 2.857 1.00 0.00 H new ATOM 0 HG22 THR A 28 -11.706 -2.854 4.012 1.00 0.00 H new ATOM 0 HG23 THR A 28 -11.465 -2.618 2.265 1.00 0.00 H new ATOM 381 N GLU A 29 -7.842 -4.488 5.116 1.00 0.00 N ATOM 382 CA GLU A 29 -6.735 -5.236 5.687 1.00 0.00 C ATOM 383 C GLU A 29 -6.497 -6.522 4.893 1.00 0.00 C ATOM 384 O GLU A 29 -7.427 -7.293 4.660 1.00 0.00 O ATOM 385 CB GLU A 29 -6.985 -5.543 7.165 1.00 0.00 C ATOM 386 CG GLU A 29 -6.089 -6.685 7.647 1.00 0.00 C ATOM 387 CD GLU A 29 -6.894 -7.974 7.830 1.00 0.00 C ATOM 388 OE1 GLU A 29 -7.941 -7.897 8.507 1.00 0.00 O ATOM 389 OE2 GLU A 29 -6.443 -9.006 7.287 1.00 0.00 O ATOM 0 H GLU A 29 -8.652 -4.392 5.728 1.00 0.00 H new ATOM 0 HA GLU A 29 -5.837 -4.622 5.624 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -6.796 -4.651 7.762 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -8.031 -5.810 7.313 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -5.287 -6.852 6.927 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -5.618 -6.409 8.590 1.00 0.00 H new ATOM 396 N GLY A 30 -5.247 -6.714 4.499 1.00 0.00 N ATOM 397 CA GLY A 30 -4.875 -7.893 3.736 1.00 0.00 C ATOM 398 C GLY A 30 -4.566 -7.530 2.282 1.00 0.00 C ATOM 399 O GLY A 30 -3.676 -8.118 1.668 1.00 0.00 O ATOM 0 H GLY A 30 -4.478 -6.072 4.694 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -4.003 -8.364 4.190 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -5.685 -8.622 3.768 1.00 0.00 H new ATOM 403 N GLU A 31 -5.317 -6.564 1.774 1.00 0.00 N ATOM 404 CA GLU A 31 -5.134 -6.116 0.404 1.00 0.00 C ATOM 405 C GLU A 31 -3.655 -5.836 0.130 1.00 0.00 C ATOM 406 O GLU A 31 -2.874 -5.642 1.061 1.00 0.00 O ATOM 407 CB GLU A 31 -5.989 -4.882 0.112 1.00 0.00 C ATOM 408 CG GLU A 31 -7.414 -5.281 -0.275 1.00 0.00 C ATOM 409 CD GLU A 31 -7.522 -5.541 -1.779 1.00 0.00 C ATOM 410 OE1 GLU A 31 -6.602 -6.202 -2.308 1.00 0.00 O ATOM 411 OE2 GLU A 31 -8.521 -5.073 -2.366 1.00 0.00 O ATOM 0 H GLU A 31 -6.054 -6.079 2.287 1.00 0.00 H new ATOM 0 HA GLU A 31 -5.463 -6.912 -0.265 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -6.014 -4.237 0.990 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -5.537 -4.305 -0.695 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -7.707 -6.176 0.274 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -8.107 -4.490 0.012 1.00 0.00 H new ATOM 418 N GLU A 32 -3.315 -5.823 -1.150 1.00 0.00 N ATOM 419 CA GLU A 32 -1.943 -5.570 -1.558 1.00 0.00 C ATOM 420 C GLU A 32 -1.835 -4.202 -2.235 1.00 0.00 C ATOM 421 O GLU A 32 -2.290 -4.026 -3.364 1.00 0.00 O ATOM 422 CB GLU A 32 -1.431 -6.679 -2.479 1.00 0.00 C ATOM 423 CG GLU A 32 -0.333 -7.495 -1.795 1.00 0.00 C ATOM 424 CD GLU A 32 0.227 -8.561 -2.740 1.00 0.00 C ATOM 425 OE1 GLU A 32 0.711 -8.162 -3.822 1.00 0.00 O ATOM 426 OE2 GLU A 32 0.159 -9.749 -2.359 1.00 0.00 O ATOM 0 H GLU A 32 -3.966 -5.984 -1.919 1.00 0.00 H new ATOM 0 HA GLU A 32 -1.315 -5.564 -0.667 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -2.256 -7.335 -2.758 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -1.045 -6.243 -3.400 1.00 0.00 H new ATOM 0 HG2 GLU A 32 0.470 -6.832 -1.472 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -0.733 -7.971 -0.900 1.00 0.00 H new ATOM 433 N ILE A 33 -1.230 -3.267 -1.516 1.00 0.00 N ATOM 434 CA ILE A 33 -1.056 -1.921 -2.032 1.00 0.00 C ATOM 435 C ILE A 33 0.373 -1.759 -2.553 1.00 0.00 C ATOM 436 O ILE A 33 1.326 -2.194 -1.908 1.00 0.00 O ATOM 437 CB ILE A 33 -1.446 -0.886 -0.974 1.00 0.00 C ATOM 438 CG1 ILE A 33 -2.931 -0.994 -0.623 1.00 0.00 C ATOM 439 CG2 ILE A 33 -1.064 0.526 -1.422 1.00 0.00 C ATOM 440 CD1 ILE A 33 -3.138 -0.978 0.893 1.00 0.00 C ATOM 0 H ILE A 33 -0.854 -3.416 -0.580 1.00 0.00 H new ATOM 0 HA ILE A 33 -1.724 -1.748 -2.875 1.00 0.00 H new ATOM 0 HB ILE A 33 -0.884 -1.098 -0.064 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -3.477 -0.167 -1.077 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -3.341 -1.914 -1.040 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -1.352 1.242 -0.652 1.00 0.00 H new ATOM 0 HG22 ILE A 33 0.013 0.578 -1.582 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -1.581 0.765 -2.352 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -4.202 -1.056 1.116 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -2.611 -1.820 1.341 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -2.749 -0.046 1.304 1.00 0.00 H new ATOM 452 N LEU A 34 0.478 -1.133 -3.716 1.00 0.00 N ATOM 453 CA LEU A 34 1.776 -0.909 -4.331 1.00 0.00 C ATOM 454 C LEU A 34 2.128 0.577 -4.241 1.00 0.00 C ATOM 455 O LEU A 34 1.580 1.394 -4.979 1.00 0.00 O ATOM 456 CB LEU A 34 1.795 -1.460 -5.758 1.00 0.00 C ATOM 457 CG LEU A 34 3.016 -1.092 -6.603 1.00 0.00 C ATOM 458 CD1 LEU A 34 4.268 -1.813 -6.101 1.00 0.00 C ATOM 459 CD2 LEU A 34 2.757 -1.360 -8.087 1.00 0.00 C ATOM 0 H LEU A 34 -0.314 -0.774 -4.249 1.00 0.00 H new ATOM 0 HA LEU A 34 2.552 -1.454 -3.793 1.00 0.00 H new ATOM 0 HB2 LEU A 34 1.727 -2.547 -5.708 1.00 0.00 H new ATOM 0 HB3 LEU A 34 0.902 -1.108 -6.274 1.00 0.00 H new ATOM 0 HG LEU A 34 3.195 -0.022 -6.495 1.00 0.00 H new ATOM 0 HD11 LEU A 34 5.121 -1.534 -6.719 1.00 0.00 H new ATOM 0 HD12 LEU A 34 4.461 -1.529 -5.066 1.00 0.00 H new ATOM 0 HD13 LEU A 34 4.115 -2.891 -6.159 1.00 0.00 H new ATOM 0 HD21 LEU A 34 3.641 -1.090 -8.665 1.00 0.00 H new ATOM 0 HD22 LEU A 34 2.537 -2.418 -8.233 1.00 0.00 H new ATOM 0 HD23 LEU A 34 1.908 -0.764 -8.422 1.00 0.00 H new ATOM 471 N VAL A 35 3.040 0.882 -3.330 1.00 0.00 N ATOM 472 CA VAL A 35 3.472 2.256 -3.134 1.00 0.00 C ATOM 473 C VAL A 35 4.543 2.602 -4.171 1.00 0.00 C ATOM 474 O VAL A 35 5.395 1.773 -4.489 1.00 0.00 O ATOM 475 CB VAL A 35 3.948 2.454 -1.694 1.00 0.00 C ATOM 476 CG1 VAL A 35 4.335 3.913 -1.440 1.00 0.00 C ATOM 477 CG2 VAL A 35 2.886 1.987 -0.696 1.00 0.00 C ATOM 0 H VAL A 35 3.492 0.202 -2.719 1.00 0.00 H new ATOM 0 HA VAL A 35 2.640 2.944 -3.284 1.00 0.00 H new ATOM 0 HB VAL A 35 4.837 1.841 -1.548 1.00 0.00 H new ATOM 0 HG11 VAL A 35 4.670 4.026 -0.409 1.00 0.00 H new ATOM 0 HG12 VAL A 35 5.140 4.199 -2.117 1.00 0.00 H new ATOM 0 HG13 VAL A 35 3.471 4.554 -1.613 1.00 0.00 H new ATOM 0 HG21 VAL A 35 3.250 2.139 0.320 1.00 0.00 H new ATOM 0 HG22 VAL A 35 1.971 2.561 -0.843 1.00 0.00 H new ATOM 0 HG23 VAL A 35 2.680 0.928 -0.853 1.00 0.00 H new ATOM 487 N THR A 36 4.465 3.827 -4.668 1.00 0.00 N ATOM 488 CA THR A 36 5.418 4.293 -5.662 1.00 0.00 C ATOM 489 C THR A 36 5.953 5.675 -5.281 1.00 0.00 C ATOM 490 O THR A 36 7.156 5.921 -5.359 1.00 0.00 O ATOM 491 CB THR A 36 4.728 4.264 -7.028 1.00 0.00 C ATOM 492 OG1 THR A 36 3.718 5.265 -6.928 1.00 0.00 O ATOM 493 CG2 THR A 36 3.948 2.969 -7.262 1.00 0.00 C ATOM 0 H THR A 36 3.757 4.511 -4.402 1.00 0.00 H new ATOM 0 HA THR A 36 6.291 3.642 -5.709 1.00 0.00 H new ATOM 0 HB THR A 36 5.473 4.386 -7.814 1.00 0.00 H new ATOM 0 HG1 THR A 36 3.222 5.315 -7.772 1.00 0.00 H new ATOM 0 HG21 THR A 36 3.478 3.000 -8.245 1.00 0.00 H new ATOM 0 HG22 THR A 36 4.629 2.120 -7.212 1.00 0.00 H new ATOM 0 HG23 THR A 36 3.180 2.863 -6.496 1.00 0.00 H new ATOM 501 N GLN A 37 5.035 6.540 -4.877 1.00 0.00 N ATOM 502 CA GLN A 37 5.400 7.890 -4.484 1.00 0.00 C ATOM 503 C GLN A 37 5.166 8.087 -2.985 1.00 0.00 C ATOM 504 O GLN A 37 4.047 7.927 -2.501 1.00 0.00 O ATOM 505 CB GLN A 37 4.626 8.927 -5.300 1.00 0.00 C ATOM 506 CG GLN A 37 5.529 9.589 -6.342 1.00 0.00 C ATOM 507 CD GLN A 37 4.850 9.625 -7.713 1.00 0.00 C ATOM 508 OE1 GLN A 37 4.115 10.539 -8.048 1.00 0.00 O ATOM 509 NE2 GLN A 37 5.137 8.580 -8.486 1.00 0.00 N ATOM 0 H GLN A 37 4.038 6.332 -4.813 1.00 0.00 H new ATOM 0 HA GLN A 37 6.461 8.033 -4.689 1.00 0.00 H new ATOM 0 HB2 GLN A 37 3.782 8.448 -5.796 1.00 0.00 H new ATOM 0 HB3 GLN A 37 4.215 9.686 -4.634 1.00 0.00 H new ATOM 0 HG2 GLN A 37 5.772 10.603 -6.026 1.00 0.00 H new ATOM 0 HG3 GLN A 37 6.470 9.043 -6.412 1.00 0.00 H new ATOM 0 HE21 GLN A 37 5.760 7.849 -8.144 1.00 0.00 H new ATOM 0 HE22 GLN A 37 4.733 8.511 -9.420 1.00 0.00 H new ATOM 518 N LYS A 38 6.241 8.432 -2.291 1.00 0.00 N ATOM 519 CA LYS A 38 6.168 8.653 -0.857 1.00 0.00 C ATOM 520 C LYS A 38 6.304 10.150 -0.568 1.00 0.00 C ATOM 521 O LYS A 38 7.404 10.697 -0.615 1.00 0.00 O ATOM 522 CB LYS A 38 7.200 7.790 -0.129 1.00 0.00 C ATOM 523 CG LYS A 38 7.058 6.318 -0.520 1.00 0.00 C ATOM 524 CD LYS A 38 7.738 5.410 0.506 1.00 0.00 C ATOM 525 CE LYS A 38 7.389 3.941 0.255 1.00 0.00 C ATOM 526 NZ LYS A 38 8.597 3.094 0.368 1.00 0.00 N ATOM 0 H LYS A 38 7.168 8.564 -2.696 1.00 0.00 H new ATOM 0 HA LYS A 38 5.197 8.341 -0.472 1.00 0.00 H new ATOM 0 HB2 LYS A 38 8.205 8.138 -0.369 1.00 0.00 H new ATOM 0 HB3 LYS A 38 7.074 7.898 0.948 1.00 0.00 H new ATOM 0 HG2 LYS A 38 6.002 6.059 -0.597 1.00 0.00 H new ATOM 0 HG3 LYS A 38 7.499 6.155 -1.504 1.00 0.00 H new ATOM 0 HD2 LYS A 38 8.819 5.544 0.456 1.00 0.00 H new ATOM 0 HD3 LYS A 38 7.427 5.695 1.511 1.00 0.00 H new ATOM 0 HE2 LYS A 38 6.638 3.612 0.974 1.00 0.00 H new ATOM 0 HE3 LYS A 38 6.951 3.830 -0.737 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 8.329 2.093 0.279 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 9.267 3.342 -0.388 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 9.046 3.251 1.293 1.00 0.00 H new ATOM 540 N ASP A 39 5.170 10.769 -0.276 1.00 0.00 N ATOM 541 CA ASP A 39 5.148 12.191 0.020 1.00 0.00 C ATOM 542 C ASP A 39 4.943 12.391 1.523 1.00 0.00 C ATOM 543 O ASP A 39 3.837 12.217 2.031 1.00 0.00 O ATOM 544 CB ASP A 39 3.999 12.889 -0.710 1.00 0.00 C ATOM 545 CG ASP A 39 4.204 14.385 -0.958 1.00 0.00 C ATOM 546 OD1 ASP A 39 5.328 14.743 -1.369 1.00 0.00 O ATOM 547 OD2 ASP A 39 3.231 15.136 -0.730 1.00 0.00 O ATOM 0 H ASP A 39 4.259 10.311 -0.238 1.00 0.00 H new ATOM 0 HA ASP A 39 6.096 12.618 -0.308 1.00 0.00 H new ATOM 0 HB2 ASP A 39 3.845 12.395 -1.669 1.00 0.00 H new ATOM 0 HB3 ASP A 39 3.085 12.754 -0.131 1.00 0.00 H new ATOM 552 N GLY A 40 6.028 12.755 2.192 1.00 0.00 N ATOM 553 CA GLY A 40 5.981 12.981 3.627 1.00 0.00 C ATOM 554 C GLY A 40 5.549 11.714 4.368 1.00 0.00 C ATOM 555 O GLY A 40 6.203 10.678 4.266 1.00 0.00 O ATOM 0 H GLY A 40 6.944 12.899 1.767 1.00 0.00 H new ATOM 0 HA2 GLY A 40 6.962 13.297 3.981 1.00 0.00 H new ATOM 0 HA3 GLY A 40 5.286 13.791 3.849 1.00 0.00 H new ATOM 559 N GLU A 41 4.450 11.839 5.097 1.00 0.00 N ATOM 560 CA GLU A 41 3.923 10.717 5.855 1.00 0.00 C ATOM 561 C GLU A 41 2.840 9.995 5.050 1.00 0.00 C ATOM 562 O GLU A 41 2.540 8.831 5.312 1.00 0.00 O ATOM 563 CB GLU A 41 3.383 11.176 7.211 1.00 0.00 C ATOM 564 CG GLU A 41 4.462 11.912 8.009 1.00 0.00 C ATOM 565 CD GLU A 41 4.763 11.186 9.322 1.00 0.00 C ATOM 566 OE1 GLU A 41 5.569 10.231 9.270 1.00 0.00 O ATOM 567 OE2 GLU A 41 4.181 11.601 10.347 1.00 0.00 O ATOM 0 H GLU A 41 3.910 12.700 5.179 1.00 0.00 H new ATOM 0 HA GLU A 41 4.737 10.017 6.043 1.00 0.00 H new ATOM 0 HB2 GLU A 41 2.525 11.831 7.062 1.00 0.00 H new ATOM 0 HB3 GLU A 41 3.031 10.314 7.777 1.00 0.00 H new ATOM 0 HG2 GLU A 41 5.372 11.987 7.414 1.00 0.00 H new ATOM 0 HG3 GLU A 41 4.134 12.930 8.219 1.00 0.00 H new ATOM 574 N TRP A 42 2.283 10.716 4.088 1.00 0.00 N ATOM 575 CA TRP A 42 1.241 10.158 3.243 1.00 0.00 C ATOM 576 C TRP A 42 1.873 9.768 1.906 1.00 0.00 C ATOM 577 O TRP A 42 2.268 10.634 1.126 1.00 0.00 O ATOM 578 CB TRP A 42 0.076 11.139 3.090 1.00 0.00 C ATOM 579 CG TRP A 42 -0.755 11.322 4.362 1.00 0.00 C ATOM 580 CD1 TRP A 42 -0.460 12.059 5.441 1.00 0.00 C ATOM 581 CD2 TRP A 42 -2.037 10.723 4.645 1.00 0.00 C ATOM 582 NE1 TRP A 42 -1.454 11.980 6.395 1.00 0.00 N ATOM 583 CE2 TRP A 42 -2.444 11.142 5.895 1.00 0.00 C ATOM 584 CE3 TRP A 42 -2.827 9.856 3.869 1.00 0.00 C ATOM 585 CZ2 TRP A 42 -3.652 10.745 6.481 1.00 0.00 C ATOM 586 CZ3 TRP A 42 -4.031 9.469 4.469 1.00 0.00 C ATOM 587 CH2 TRP A 42 -4.455 9.882 5.727 1.00 0.00 C ATOM 0 H TRP A 42 2.534 11.682 3.875 1.00 0.00 H new ATOM 0 HA TRP A 42 0.813 9.265 3.698 1.00 0.00 H new ATOM 0 HB2 TRP A 42 0.469 12.108 2.782 1.00 0.00 H new ATOM 0 HB3 TRP A 42 -0.576 10.790 2.289 1.00 0.00 H new ATOM 0 HD1 TRP A 42 0.443 12.642 5.551 1.00 0.00 H new ATOM 0 HE1 TRP A 42 -1.461 12.450 7.300 1.00 0.00 H new ATOM 0 HE3 TRP A 42 -2.529 9.516 2.888 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 -3.948 11.086 7.462 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 -4.676 8.803 3.916 1.00 0.00 H new ATOM 0 HH2 TRP A 42 -5.400 9.538 6.121 1.00 0.00 H new ATOM 598 N TRP A 43 1.950 8.465 1.682 1.00 0.00 N ATOM 599 CA TRP A 43 2.527 7.950 0.452 1.00 0.00 C ATOM 600 C TRP A 43 1.380 7.565 -0.484 1.00 0.00 C ATOM 601 O TRP A 43 0.246 7.389 -0.043 1.00 0.00 O ATOM 602 CB TRP A 43 3.481 6.788 0.739 1.00 0.00 C ATOM 603 CG TRP A 43 4.435 7.040 1.908 1.00 0.00 C ATOM 604 CD1 TRP A 43 4.952 8.208 2.313 1.00 0.00 C ATOM 605 CD2 TRP A 43 4.969 6.049 2.811 1.00 0.00 C ATOM 606 NE1 TRP A 43 5.777 8.043 3.407 1.00 0.00 N ATOM 607 CE2 TRP A 43 5.787 6.688 3.720 1.00 0.00 C ATOM 608 CE3 TRP A 43 4.767 4.658 2.859 1.00 0.00 C ATOM 609 CZ2 TRP A 43 6.469 6.017 4.742 1.00 0.00 C ATOM 610 CZ3 TRP A 43 5.455 4.002 3.886 1.00 0.00 C ATOM 611 CH2 TRP A 43 6.283 4.631 4.809 1.00 0.00 C ATOM 0 H TRP A 43 1.622 7.750 2.332 1.00 0.00 H new ATOM 0 HA TRP A 43 3.134 8.711 -0.038 1.00 0.00 H new ATOM 0 HB2 TRP A 43 2.895 5.893 0.948 1.00 0.00 H new ATOM 0 HB3 TRP A 43 4.067 6.583 -0.157 1.00 0.00 H new ATOM 0 HD1 TRP A 43 4.749 9.159 1.843 1.00 0.00 H new ATOM 0 HE1 TRP A 43 6.286 8.779 3.896 1.00 0.00 H new ATOM 0 HE3 TRP A 43 4.131 4.137 2.159 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 7.104 6.540 5.441 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 5.334 2.932 3.967 1.00 0.00 H new ATOM 0 HH2 TRP A 43 6.780 4.053 5.574 1.00 0.00 H new ATOM 622 N THR A 44 1.716 7.445 -1.761 1.00 0.00 N ATOM 623 CA THR A 44 0.728 7.085 -2.763 1.00 0.00 C ATOM 624 C THR A 44 0.788 5.584 -3.055 1.00 0.00 C ATOM 625 O THR A 44 1.795 5.084 -3.553 1.00 0.00 O ATOM 626 CB THR A 44 0.969 7.954 -3.999 1.00 0.00 C ATOM 627 OG1 THR A 44 0.406 9.216 -3.651 1.00 0.00 O ATOM 628 CG2 THR A 44 0.145 7.498 -5.205 1.00 0.00 C ATOM 0 H THR A 44 2.658 7.591 -2.124 1.00 0.00 H new ATOM 0 HA THR A 44 -0.284 7.275 -2.407 1.00 0.00 H new ATOM 0 HB THR A 44 2.028 7.935 -4.255 1.00 0.00 H new ATOM 0 HG1 THR A 44 0.520 9.842 -4.397 1.00 0.00 H new ATOM 0 HG21 THR A 44 0.353 8.148 -6.055 1.00 0.00 H new ATOM 0 HG22 THR A 44 0.410 6.472 -5.460 1.00 0.00 H new ATOM 0 HG23 THR A 44 -0.916 7.549 -4.961 1.00 0.00 H new ATOM 636 N GLY A 45 -0.305 4.907 -2.733 1.00 0.00 N ATOM 637 CA GLY A 45 -0.389 3.473 -2.954 1.00 0.00 C ATOM 638 C GLY A 45 -1.249 3.157 -4.179 1.00 0.00 C ATOM 639 O GLY A 45 -1.906 4.042 -4.726 1.00 0.00 O ATOM 0 H GLY A 45 -1.139 5.325 -2.321 1.00 0.00 H new ATOM 0 HA2 GLY A 45 0.612 3.063 -3.092 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -0.812 2.990 -2.073 1.00 0.00 H new ATOM 643 N SER A 46 -1.217 1.893 -4.575 1.00 0.00 N ATOM 644 CA SER A 46 -1.985 1.449 -5.726 1.00 0.00 C ATOM 645 C SER A 46 -2.447 0.005 -5.521 1.00 0.00 C ATOM 646 O SER A 46 -1.802 -0.761 -4.807 1.00 0.00 O ATOM 647 CB SER A 46 -1.167 1.568 -7.013 1.00 0.00 C ATOM 648 OG SER A 46 -0.424 2.783 -7.063 1.00 0.00 O ATOM 0 H SER A 46 -0.671 1.162 -4.119 1.00 0.00 H new ATOM 0 HA SER A 46 -2.859 2.093 -5.823 1.00 0.00 H new ATOM 0 HB2 SER A 46 -0.484 0.722 -7.088 1.00 0.00 H new ATOM 0 HB3 SER A 46 -1.835 1.516 -7.873 1.00 0.00 H new ATOM 0 HG SER A 46 0.347 2.720 -6.462 1.00 0.00 H new ATOM 654 N ILE A 47 -3.559 -0.323 -6.162 1.00 0.00 N ATOM 655 CA ILE A 47 -4.114 -1.662 -6.060 1.00 0.00 C ATOM 656 C ILE A 47 -4.597 -2.117 -7.439 1.00 0.00 C ATOM 657 O ILE A 47 -5.578 -1.590 -7.962 1.00 0.00 O ATOM 658 CB ILE A 47 -5.199 -1.712 -4.981 1.00 0.00 C ATOM 659 CG1 ILE A 47 -4.619 -1.379 -3.605 1.00 0.00 C ATOM 660 CG2 ILE A 47 -5.918 -3.062 -4.989 1.00 0.00 C ATOM 661 CD1 ILE A 47 -5.725 -0.976 -2.627 1.00 0.00 C ATOM 0 H ILE A 47 -4.091 0.315 -6.754 1.00 0.00 H new ATOM 0 HA ILE A 47 -3.347 -2.368 -5.742 1.00 0.00 H new ATOM 0 HB ILE A 47 -5.944 -0.950 -5.209 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -4.080 -2.242 -3.215 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -3.897 -0.568 -3.697 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -6.684 -3.071 -4.213 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -6.385 -3.220 -5.961 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -5.199 -3.858 -4.798 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -5.286 -0.744 -1.657 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -6.246 -0.098 -3.009 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -6.432 -1.798 -2.518 1.00 0.00 H new ATOM 673 N GLY A 48 -3.885 -3.090 -7.988 1.00 0.00 N ATOM 674 CA GLY A 48 -4.229 -3.621 -9.296 1.00 0.00 C ATOM 675 C GLY A 48 -3.988 -2.579 -10.391 1.00 0.00 C ATOM 676 O GLY A 48 -3.146 -2.776 -11.266 1.00 0.00 O ATOM 0 H GLY A 48 -3.072 -3.524 -7.551 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -3.634 -4.511 -9.499 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -5.275 -3.928 -9.305 1.00 0.00 H new ATOM 680 N ASP A 49 -4.744 -1.494 -10.307 1.00 0.00 N ATOM 681 CA ASP A 49 -4.623 -0.421 -11.280 1.00 0.00 C ATOM 682 C ASP A 49 -5.294 0.839 -10.729 1.00 0.00 C ATOM 683 O ASP A 49 -5.807 1.657 -11.491 1.00 0.00 O ATOM 684 CB ASP A 49 -5.316 -0.789 -12.594 1.00 0.00 C ATOM 685 CG ASP A 49 -4.834 -0.010 -13.819 1.00 0.00 C ATOM 686 OD1 ASP A 49 -5.111 1.209 -13.861 1.00 0.00 O ATOM 687 OD2 ASP A 49 -4.200 -0.649 -14.686 1.00 0.00 O ATOM 0 H ASP A 49 -5.442 -1.335 -9.581 1.00 0.00 H new ATOM 0 HA ASP A 49 -3.562 -0.252 -11.466 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -5.170 -1.853 -12.779 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -6.388 -0.629 -12.479 1.00 0.00 H new ATOM 692 N ARG A 50 -5.267 0.955 -9.409 1.00 0.00 N ATOM 693 CA ARG A 50 -5.866 2.102 -8.748 1.00 0.00 C ATOM 694 C ARG A 50 -4.781 3.090 -8.312 1.00 0.00 C ATOM 695 O ARG A 50 -3.599 2.753 -8.301 1.00 0.00 O ATOM 696 CB ARG A 50 -6.675 1.670 -7.523 1.00 0.00 C ATOM 697 CG ARG A 50 -8.175 1.681 -7.824 1.00 0.00 C ATOM 698 CD ARG A 50 -8.965 1.011 -6.699 1.00 0.00 C ATOM 699 NE ARG A 50 -9.361 -0.357 -7.103 1.00 0.00 N ATOM 700 CZ ARG A 50 -10.330 -1.066 -6.508 1.00 0.00 C ATOM 701 NH1 ARG A 50 -11.007 -0.541 -5.478 1.00 0.00 N ATOM 702 NH2 ARG A 50 -10.620 -2.299 -6.942 1.00 0.00 N ATOM 0 H ARG A 50 -4.840 0.274 -8.780 1.00 0.00 H new ATOM 0 HA ARG A 50 -6.536 2.584 -9.461 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -6.370 0.670 -7.215 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -6.463 2.339 -6.689 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -8.516 2.708 -7.951 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -8.365 1.164 -8.764 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -8.360 0.971 -5.793 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -9.851 1.601 -6.465 1.00 0.00 H new ATOM 0 HE ARG A 50 -8.865 -0.787 -7.884 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -10.785 0.398 -5.147 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -11.745 -1.080 -5.025 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -10.103 -2.699 -7.725 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -11.358 -2.839 -6.489 1.00 0.00 H new ATOM 716 N SER A 51 -5.224 4.289 -7.964 1.00 0.00 N ATOM 717 CA SER A 51 -4.306 5.328 -7.529 1.00 0.00 C ATOM 718 C SER A 51 -4.980 6.218 -6.484 1.00 0.00 C ATOM 719 O SER A 51 -6.143 6.591 -6.638 1.00 0.00 O ATOM 720 CB SER A 51 -3.825 6.169 -8.713 1.00 0.00 C ATOM 721 OG SER A 51 -2.459 5.914 -9.029 1.00 0.00 O ATOM 0 H SER A 51 -6.206 4.564 -7.974 1.00 0.00 H new ATOM 0 HA SER A 51 -3.435 4.849 -7.081 1.00 0.00 H new ATOM 0 HB2 SER A 51 -4.444 5.956 -9.584 1.00 0.00 H new ATOM 0 HB3 SER A 51 -3.952 7.227 -8.482 1.00 0.00 H new ATOM 0 HG SER A 51 -2.190 6.469 -9.791 1.00 0.00 H new ATOM 727 N GLY A 52 -4.223 6.534 -5.444 1.00 0.00 N ATOM 728 CA GLY A 52 -4.733 7.374 -4.373 1.00 0.00 C ATOM 729 C GLY A 52 -3.711 7.501 -3.241 1.00 0.00 C ATOM 730 O GLY A 52 -2.662 6.861 -3.273 1.00 0.00 O ATOM 0 H GLY A 52 -3.259 6.223 -5.320 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -4.972 8.363 -4.764 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -5.660 6.952 -3.985 1.00 0.00 H new ATOM 734 N ILE A 53 -4.055 8.332 -2.268 1.00 0.00 N ATOM 735 CA ILE A 53 -3.181 8.551 -1.128 1.00 0.00 C ATOM 736 C ILE A 53 -3.702 7.755 0.070 1.00 0.00 C ATOM 737 O ILE A 53 -4.892 7.453 0.148 1.00 0.00 O ATOM 738 CB ILE A 53 -3.026 10.048 -0.852 1.00 0.00 C ATOM 739 CG1 ILE A 53 -4.389 10.712 -0.648 1.00 0.00 C ATOM 740 CG2 ILE A 53 -2.216 10.729 -1.957 1.00 0.00 C ATOM 741 CD1 ILE A 53 -4.244 12.052 0.075 1.00 0.00 C ATOM 0 H ILE A 53 -4.927 8.861 -2.246 1.00 0.00 H new ATOM 0 HA ILE A 53 -2.177 8.184 -1.342 1.00 0.00 H new ATOM 0 HB ILE A 53 -2.467 10.168 0.076 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -4.870 10.866 -1.614 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -5.036 10.052 -0.071 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -2.121 11.792 -1.736 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -1.224 10.280 -2.011 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -2.725 10.601 -2.912 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -5.228 12.503 0.207 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -3.785 11.891 1.050 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -3.616 12.718 -0.516 1.00 0.00 H new ATOM 753 N PHE A 54 -2.786 7.437 0.973 1.00 0.00 N ATOM 754 CA PHE A 54 -3.139 6.682 2.163 1.00 0.00 C ATOM 755 C PHE A 54 -2.145 6.947 3.295 1.00 0.00 C ATOM 756 O PHE A 54 -1.047 7.448 3.057 1.00 0.00 O ATOM 757 CB PHE A 54 -3.082 5.201 1.786 1.00 0.00 C ATOM 758 CG PHE A 54 -1.662 4.648 1.651 1.00 0.00 C ATOM 759 CD1 PHE A 54 -1.021 4.705 0.452 1.00 0.00 C ATOM 760 CD2 PHE A 54 -1.040 4.099 2.729 1.00 0.00 C ATOM 761 CE1 PHE A 54 0.297 4.192 0.327 1.00 0.00 C ATOM 762 CE2 PHE A 54 0.278 3.585 2.603 1.00 0.00 C ATOM 763 CZ PHE A 54 0.919 3.643 1.405 1.00 0.00 C ATOM 0 H PHE A 54 -1.800 7.689 0.904 1.00 0.00 H new ATOM 0 HA PHE A 54 -4.130 6.975 2.510 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -3.616 4.624 2.541 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -3.609 5.056 0.843 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -1.515 5.140 -0.404 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -1.548 4.054 3.681 1.00 0.00 H new ATOM 0 HE1 PHE A 54 0.806 4.238 -0.624 1.00 0.00 H new ATOM 0 HE2 PHE A 54 0.771 3.148 3.459 1.00 0.00 H new ATOM 0 HZ PHE A 54 1.922 3.253 1.310 1.00 0.00 H new ATOM 773 N PRO A 55 -2.576 6.590 4.534 1.00 0.00 N ATOM 774 CA PRO A 55 -1.737 6.784 5.704 1.00 0.00 C ATOM 775 C PRO A 55 -0.618 5.741 5.755 1.00 0.00 C ATOM 776 O PRO A 55 -0.883 4.547 5.887 1.00 0.00 O ATOM 777 CB PRO A 55 -2.685 6.695 6.888 1.00 0.00 C ATOM 778 CG PRO A 55 -3.933 5.997 6.372 1.00 0.00 C ATOM 779 CD PRO A 55 -3.870 5.994 4.854 1.00 0.00 C ATOM 0 HA PRO A 55 -1.220 7.744 5.696 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -2.235 6.135 7.707 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -2.923 7.687 7.273 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -3.986 4.978 6.754 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -4.829 6.513 6.716 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -3.949 4.982 4.457 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -4.689 6.570 4.423 1.00 0.00 H new ATOM 787 N SER A 56 0.609 6.230 5.648 1.00 0.00 N ATOM 788 CA SER A 56 1.768 5.355 5.680 1.00 0.00 C ATOM 789 C SER A 56 1.973 4.809 7.095 1.00 0.00 C ATOM 790 O SER A 56 3.024 5.019 7.699 1.00 0.00 O ATOM 791 CB SER A 56 3.025 6.089 5.207 1.00 0.00 C ATOM 792 OG SER A 56 3.598 6.886 6.240 1.00 0.00 O ATOM 0 H SER A 56 0.825 7.221 5.539 1.00 0.00 H new ATOM 0 HA SER A 56 1.588 4.523 4.999 1.00 0.00 H new ATOM 0 HB2 SER A 56 3.760 5.363 4.860 1.00 0.00 H new ATOM 0 HB3 SER A 56 2.776 6.723 4.356 1.00 0.00 H new ATOM 0 HG SER A 56 3.125 7.743 6.292 1.00 0.00 H new ATOM 798 N ASN A 57 0.952 4.119 7.582 1.00 0.00 N ATOM 799 CA ASN A 57 1.007 3.542 8.914 1.00 0.00 C ATOM 800 C ASN A 57 0.303 2.184 8.906 1.00 0.00 C ATOM 801 O ASN A 57 0.819 1.210 9.452 1.00 0.00 O ATOM 802 CB ASN A 57 0.297 4.436 9.932 1.00 0.00 C ATOM 803 CG ASN A 57 0.403 5.910 9.535 1.00 0.00 C ATOM 804 OD1 ASN A 57 1.452 6.404 9.157 1.00 0.00 O ATOM 805 ND2 ASN A 57 -0.740 6.582 9.641 1.00 0.00 N ATOM 0 H ASN A 57 0.082 3.947 7.078 1.00 0.00 H new ATOM 0 HA ASN A 57 2.056 3.440 9.194 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -0.752 4.149 10.004 1.00 0.00 H new ATOM 0 HB3 ASN A 57 0.736 4.289 10.919 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -0.774 7.572 9.399 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -1.583 6.107 9.964 1.00 0.00 H new ATOM 812 N TYR A 58 -0.864 2.162 8.280 1.00 0.00 N ATOM 813 CA TYR A 58 -1.645 0.939 8.194 1.00 0.00 C ATOM 814 C TYR A 58 -1.201 0.089 7.001 1.00 0.00 C ATOM 815 O TYR A 58 -2.032 -0.491 6.305 1.00 0.00 O ATOM 816 CB TYR A 58 -3.095 1.378 7.981 1.00 0.00 C ATOM 817 CG TYR A 58 -3.708 2.102 9.181 1.00 0.00 C ATOM 818 CD1 TYR A 58 -3.478 1.636 10.459 1.00 0.00 C ATOM 819 CD2 TYR A 58 -4.493 3.220 8.985 1.00 0.00 C ATOM 820 CE1 TYR A 58 -4.056 2.317 11.589 1.00 0.00 C ATOM 821 CE2 TYR A 58 -5.070 3.902 10.114 1.00 0.00 C ATOM 822 CZ TYR A 58 -4.824 3.416 11.360 1.00 0.00 C ATOM 823 OH TYR A 58 -5.369 4.060 12.427 1.00 0.00 O ATOM 0 H TYR A 58 -1.288 2.972 7.827 1.00 0.00 H new ATOM 0 HA TYR A 58 -1.519 0.338 9.095 1.00 0.00 H new ATOM 0 HB2 TYR A 58 -3.141 2.034 7.111 1.00 0.00 H new ATOM 0 HB3 TYR A 58 -3.700 0.501 7.751 1.00 0.00 H new ATOM 0 HD1 TYR A 58 -2.864 0.760 10.612 1.00 0.00 H new ATOM 0 HD2 TYR A 58 -4.675 3.583 7.984 1.00 0.00 H new ATOM 0 HE1 TYR A 58 -3.884 1.963 12.595 1.00 0.00 H new ATOM 0 HE2 TYR A 58 -5.684 4.779 9.975 1.00 0.00 H new ATOM 0 HH TYR A 58 -5.892 4.827 12.114 1.00 0.00 H new ATOM 833 N VAL A 59 0.108 0.043 6.803 1.00 0.00 N ATOM 834 CA VAL A 59 0.672 -0.727 5.707 1.00 0.00 C ATOM 835 C VAL A 59 2.026 -1.297 6.133 1.00 0.00 C ATOM 836 O VAL A 59 2.802 -0.623 6.809 1.00 0.00 O ATOM 837 CB VAL A 59 0.758 0.140 4.449 1.00 0.00 C ATOM 838 CG1 VAL A 59 -0.624 0.654 4.042 1.00 0.00 C ATOM 839 CG2 VAL A 59 1.738 1.298 4.647 1.00 0.00 C ATOM 0 H VAL A 59 0.794 0.526 7.383 1.00 0.00 H new ATOM 0 HA VAL A 59 0.027 -1.571 5.462 1.00 0.00 H new ATOM 0 HB VAL A 59 1.136 -0.483 3.638 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -0.535 1.267 3.145 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -1.281 -0.191 3.839 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -1.042 1.253 4.851 1.00 0.00 H new ATOM 0 HG21 VAL A 59 1.780 1.898 3.738 1.00 0.00 H new ATOM 0 HG22 VAL A 59 1.404 1.920 5.477 1.00 0.00 H new ATOM 0 HG23 VAL A 59 2.730 0.902 4.867 1.00 0.00 H new ATOM 849 N LYS A 60 2.268 -2.533 5.722 1.00 0.00 N ATOM 850 CA LYS A 60 3.515 -3.202 6.053 1.00 0.00 C ATOM 851 C LYS A 60 4.264 -3.542 4.763 1.00 0.00 C ATOM 852 O LYS A 60 3.654 -3.673 3.703 1.00 0.00 O ATOM 853 CB LYS A 60 3.251 -4.413 6.949 1.00 0.00 C ATOM 854 CG LYS A 60 2.587 -5.544 6.161 1.00 0.00 C ATOM 855 CD LYS A 60 2.646 -6.861 6.937 1.00 0.00 C ATOM 856 CE LYS A 60 3.245 -7.977 6.078 1.00 0.00 C ATOM 857 NZ LYS A 60 2.850 -9.304 6.602 1.00 0.00 N ATOM 0 H LYS A 60 1.621 -3.089 5.162 1.00 0.00 H new ATOM 0 HA LYS A 60 4.161 -2.541 6.632 1.00 0.00 H new ATOM 0 HB2 LYS A 60 4.190 -4.765 7.376 1.00 0.00 H new ATOM 0 HB3 LYS A 60 2.611 -4.121 7.782 1.00 0.00 H new ATOM 0 HG2 LYS A 60 1.548 -5.286 5.953 1.00 0.00 H new ATOM 0 HG3 LYS A 60 3.085 -5.662 5.198 1.00 0.00 H new ATOM 0 HD2 LYS A 60 3.245 -6.730 7.838 1.00 0.00 H new ATOM 0 HD3 LYS A 60 1.643 -7.143 7.259 1.00 0.00 H new ATOM 0 HE2 LYS A 60 2.907 -7.871 5.047 1.00 0.00 H new ATOM 0 HE3 LYS A 60 4.332 -7.892 6.068 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 3.265 -10.050 6.007 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 3.194 -9.408 7.578 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 1.813 -9.388 6.589 1.00 0.00 H new ATOM 871 N PRO A 61 5.610 -3.680 4.899 1.00 0.00 N ATOM 872 CA PRO A 61 6.449 -4.003 3.758 1.00 0.00 C ATOM 873 C PRO A 61 6.303 -5.476 3.369 1.00 0.00 C ATOM 874 O PRO A 61 6.590 -6.364 4.170 1.00 0.00 O ATOM 875 CB PRO A 61 7.860 -3.641 4.191 1.00 0.00 C ATOM 876 CG PRO A 61 7.824 -3.567 5.709 1.00 0.00 C ATOM 877 CD PRO A 61 6.366 -3.533 6.140 1.00 0.00 C ATOM 0 HA PRO A 61 6.168 -3.451 2.861 1.00 0.00 H new ATOM 0 HB2 PRO A 61 8.576 -4.390 3.853 1.00 0.00 H new ATOM 0 HB3 PRO A 61 8.168 -2.688 3.761 1.00 0.00 H new ATOM 0 HG2 PRO A 61 8.331 -4.428 6.145 1.00 0.00 H new ATOM 0 HG3 PRO A 61 8.347 -2.677 6.060 1.00 0.00 H new ATOM 0 HD2 PRO A 61 6.141 -4.338 6.839 1.00 0.00 H new ATOM 0 HD3 PRO A 61 6.123 -2.597 6.643 1.00 0.00 H new ATOM 885 N LYS A 62 5.856 -5.689 2.140 1.00 0.00 N ATOM 886 CA LYS A 62 5.668 -7.038 1.635 1.00 0.00 C ATOM 887 C LYS A 62 6.977 -7.818 1.777 1.00 0.00 C ATOM 888 O LYS A 62 7.869 -7.697 0.939 1.00 0.00 O ATOM 889 CB LYS A 62 5.124 -7.005 0.206 1.00 0.00 C ATOM 890 CG LYS A 62 4.139 -8.150 -0.033 1.00 0.00 C ATOM 891 CD LYS A 62 3.223 -7.848 -1.220 1.00 0.00 C ATOM 892 CE LYS A 62 3.627 -8.667 -2.447 1.00 0.00 C ATOM 893 NZ LYS A 62 4.553 -7.894 -3.305 1.00 0.00 N ATOM 0 H LYS A 62 5.619 -4.949 1.479 1.00 0.00 H new ATOM 0 HA LYS A 62 4.917 -7.564 2.225 1.00 0.00 H new ATOM 0 HB2 LYS A 62 4.629 -6.051 0.024 1.00 0.00 H new ATOM 0 HB3 LYS A 62 5.949 -7.077 -0.503 1.00 0.00 H new ATOM 0 HG2 LYS A 62 4.688 -9.073 -0.219 1.00 0.00 H new ATOM 0 HG3 LYS A 62 3.539 -8.310 0.862 1.00 0.00 H new ATOM 0 HD2 LYS A 62 2.190 -8.072 -0.953 1.00 0.00 H new ATOM 0 HD3 LYS A 62 3.268 -6.785 -1.457 1.00 0.00 H new ATOM 0 HE2 LYS A 62 4.104 -9.595 -2.131 1.00 0.00 H new ATOM 0 HE3 LYS A 62 2.739 -8.942 -3.016 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 5.225 -8.542 -3.762 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 4.010 -7.387 -4.033 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 5.075 -7.208 -2.723 1.00 0.00 H new ATOM 907 N ASP A 63 7.050 -8.600 2.844 1.00 0.00 N ATOM 908 CA ASP A 63 8.235 -9.399 3.106 1.00 0.00 C ATOM 909 C ASP A 63 9.394 -8.476 3.487 1.00 0.00 C ATOM 910 O ASP A 63 9.934 -7.768 2.638 1.00 0.00 O ATOM 911 CB ASP A 63 8.651 -10.191 1.864 1.00 0.00 C ATOM 912 CG ASP A 63 9.569 -11.384 2.136 1.00 0.00 C ATOM 913 OD1 ASP A 63 9.218 -12.178 3.036 1.00 0.00 O ATOM 914 OD2 ASP A 63 10.602 -11.476 1.438 1.00 0.00 O ATOM 0 H ASP A 63 6.308 -8.697 3.537 1.00 0.00 H new ATOM 0 HA ASP A 63 8.002 -10.091 3.915 1.00 0.00 H new ATOM 0 HB2 ASP A 63 7.752 -10.550 1.363 1.00 0.00 H new ATOM 0 HB3 ASP A 63 9.154 -9.515 1.172 1.00 0.00 H new ATOM 919 N SER A 64 9.741 -8.513 4.765 1.00 0.00 N ATOM 920 CA SER A 64 10.826 -7.688 5.270 1.00 0.00 C ATOM 921 C SER A 64 11.079 -8.001 6.746 1.00 0.00 C ATOM 922 O SER A 64 10.206 -7.793 7.587 1.00 0.00 O ATOM 923 CB SER A 64 10.517 -6.200 5.089 1.00 0.00 C ATOM 924 OG SER A 64 10.834 -5.745 3.776 1.00 0.00 O ATOM 0 H SER A 64 9.290 -9.101 5.466 1.00 0.00 H new ATOM 0 HA SER A 64 11.725 -7.918 4.697 1.00 0.00 H new ATOM 0 HB2 SER A 64 9.460 -6.022 5.289 1.00 0.00 H new ATOM 0 HB3 SER A 64 11.082 -5.621 5.820 1.00 0.00 H new ATOM 0 HG SER A 64 10.418 -6.337 3.115 1.00 0.00 H new ATOM 930 N GLY A 65 12.278 -8.497 7.015 1.00 0.00 N ATOM 931 CA GLY A 65 12.657 -8.842 8.375 1.00 0.00 C ATOM 932 C GLY A 65 13.874 -9.769 8.387 1.00 0.00 C ATOM 933 O GLY A 65 13.828 -10.867 7.836 1.00 0.00 O ATOM 0 H GLY A 65 12.999 -8.668 6.315 1.00 0.00 H new ATOM 0 HA2 GLY A 65 12.881 -7.934 8.935 1.00 0.00 H new ATOM 0 HA3 GLY A 65 11.820 -9.328 8.877 1.00 0.00 H new ATOM 937 N PRO A 66 14.963 -9.279 9.038 1.00 0.00 N ATOM 938 CA PRO A 66 16.191 -10.051 9.129 1.00 0.00 C ATOM 939 C PRO A 66 16.050 -11.186 10.145 1.00 0.00 C ATOM 940 O PRO A 66 15.305 -11.066 11.117 1.00 0.00 O ATOM 941 CB PRO A 66 17.262 -9.043 9.509 1.00 0.00 C ATOM 942 CG PRO A 66 16.522 -7.839 10.069 1.00 0.00 C ATOM 943 CD PRO A 66 15.054 -7.982 9.702 1.00 0.00 C ATOM 0 HA PRO A 66 16.446 -10.549 8.193 1.00 0.00 H new ATOM 0 HB2 PRO A 66 17.946 -9.460 10.249 1.00 0.00 H new ATOM 0 HB3 PRO A 66 17.861 -8.765 8.642 1.00 0.00 H new ATOM 0 HG2 PRO A 66 16.642 -7.787 11.151 1.00 0.00 H new ATOM 0 HG3 PRO A 66 16.930 -6.915 9.658 1.00 0.00 H new ATOM 0 HD2 PRO A 66 14.419 -7.945 10.587 1.00 0.00 H new ATOM 0 HD3 PRO A 66 14.730 -7.176 9.043 1.00 0.00 H new ATOM 951 N SER A 67 16.777 -12.263 9.886 1.00 0.00 N ATOM 952 CA SER A 67 16.743 -13.419 10.766 1.00 0.00 C ATOM 953 C SER A 67 18.092 -13.580 11.471 1.00 0.00 C ATOM 954 O SER A 67 18.160 -13.576 12.699 1.00 0.00 O ATOM 955 CB SER A 67 16.394 -14.691 9.992 1.00 0.00 C ATOM 956 OG SER A 67 15.682 -15.627 10.796 1.00 0.00 O ATOM 0 H SER A 67 17.393 -12.359 9.079 1.00 0.00 H new ATOM 0 HA SER A 67 15.966 -13.257 11.513 1.00 0.00 H new ATOM 0 HB2 SER A 67 15.793 -14.431 9.120 1.00 0.00 H new ATOM 0 HB3 SER A 67 17.309 -15.153 9.622 1.00 0.00 H new ATOM 0 HG SER A 67 15.476 -16.425 10.265 1.00 0.00 H new ATOM 962 N SER A 68 19.133 -13.719 10.662 1.00 0.00 N ATOM 963 CA SER A 68 20.476 -13.881 11.193 1.00 0.00 C ATOM 964 C SER A 68 21.374 -12.745 10.699 1.00 0.00 C ATOM 965 O SER A 68 21.179 -12.227 9.601 1.00 0.00 O ATOM 966 CB SER A 68 21.065 -15.236 10.794 1.00 0.00 C ATOM 967 OG SER A 68 21.557 -15.957 11.920 1.00 0.00 O ATOM 0 H SER A 68 19.073 -13.723 9.644 1.00 0.00 H new ATOM 0 HA SER A 68 20.421 -13.845 12.281 1.00 0.00 H new ATOM 0 HB2 SER A 68 20.302 -15.829 10.289 1.00 0.00 H new ATOM 0 HB3 SER A 68 21.874 -15.083 10.080 1.00 0.00 H new ATOM 0 HG SER A 68 21.923 -16.816 11.624 1.00 0.00 H new ATOM 973 N GLY A 69 22.340 -12.392 11.535 1.00 0.00 N ATOM 974 CA GLY A 69 23.269 -11.327 11.198 1.00 0.00 C ATOM 975 C GLY A 69 22.635 -9.953 11.427 1.00 0.00 C ATOM 976 O GLY A 69 22.095 -9.352 10.499 1.00 0.00 O ATOM 0 H GLY A 69 22.499 -12.825 12.445 1.00 0.00 H new ATOM 0 HA2 GLY A 69 24.170 -11.421 11.803 1.00 0.00 H new ATOM 0 HA3 GLY A 69 23.574 -11.422 10.156 1.00 0.00 H new TER 980 GLY A 69