USER MOD reduce.3.24.130724 H: found=0, std=0, add=749, rem=0, adj=36 USER MOD reduce.3.24.130724 removed 750 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 30 LYS NZ :NH3+ -139:sc= 0.194 (180deg=0) USER MOD Set 1.2: A 107 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 93 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: A 97 ASN :FLIP amide:sc= -14.7! C(o=-15!,f=-15!) USER MOD Set 3.1: A 51 THR OG1 : rot 105:sc= -6.08! USER MOD Set 3.2: A 103 THR OG1 : rot -161:sc= -1.77! USER MOD Set 4.1: A 48 SER OG : rot -136:sc= -11.3! USER MOD Set 4.2: A 63 HIS : no HE2:sc= -35.8! C(o=-47!,f=-56!) USER MOD Set 5.1: A 5 ASN :FLIP amide:sc= -0.272 F(o=-3.8!,f=-0.62) USER MOD Set 5.2: A 9 TYR OH : rot 180:sc= -0.347 USER MOD Single : A 8 THR OG1 : rot -24:sc= 0.398 USER MOD Single : A 12 TYR OH : rot -149:sc= -7.65! USER MOD Single : A 13 ASN :FLIP amide:sc= -6.41! C(o=-8.5!,f=-6.4!) USER MOD Single : A 14 LYS NZ :NH3+ 171:sc= 0.163 (180deg=0.145) USER MOD Single : A 15 SER OG : rot 55:sc= 0.585 USER MOD Single : A 17 SER OG : rot 180:sc= -0.0398 USER MOD Single : A 20 LYS NZ :NH3+ 169:sc= -0.115 (180deg=-0.141) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 THR OG1 : rot 115:sc= -10.4! USER MOD Single : A 35 MET CE :methyl -106:sc= -37.5! (180deg=-42.8!) USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 CYS SG : rot 180:sc= 0 USER MOD Single : A 62 LYS NZ :NH3+ 143:sc= -4.85! (180deg=-7.32!) USER MOD Single : A 64 TYR OH : rot -124:sc= -3.15! USER MOD Single : A 65 HIS :FLIP no HD1:sc= -3.71! C(o=-6.6!,f=-3.7!) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 THR OG1 : rot 162:sc= -9.32! USER MOD Single : A 76 TYR OH : rot 180:sc= 0 USER MOD Single : A 77 TYR OH : rot 180:sc= 0 USER MOD Single : A 81 LYS NZ :NH3+ 152:sc= -7.43! (180deg=-11.3!) USER MOD Single : A 82 TYR OH : rot 180:sc= 0 USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 92 GLN :FLIP amide:sc= -1.02 F(o=-1.8,f=-1) USER MOD Single : A 94 HIS :FLIP no HE2:sc= -19.9! C(o=-26!,f=-20!) USER MOD Single : A 95 GLN :FLIP amide:sc= -3.36! C(o=-4.7!,f=-3.4!) USER MOD Single : A 96 TYR OH : rot 180:sc= 0 USER MOD Single : A 110 CYS SG : rot 174:sc= -9.72! USER MOD ----------------------------------------------------------------- ATOM 21 N ASN A 5 -2.481 12.552 7.572 1.00 0.00 N ATOM 22 CA ASN A 5 -2.735 11.533 8.583 1.00 0.00 C ATOM 23 C ASN A 5 -2.752 10.137 7.965 1.00 0.00 C ATOM 24 O ASN A 5 -3.380 9.222 8.495 1.00 0.00 O ATOM 25 CB ASN A 5 -4.064 11.805 9.289 1.00 0.00 C ATOM 26 CG ASN A 5 -5.175 12.160 8.319 1.00 0.00 C ATOM 27 OD1 ASN A 5 -5.324 11.360 7.269 1.00 0.00 O flip ATOM 28 ND2 ASN A 5 -5.891 13.141 8.511 1.00 0.00 N flip ATOM 0 HA ASN A 5 -1.926 11.576 9.312 1.00 0.00 H new ATOM 0 HB2 ASN A 5 -4.354 10.924 9.862 1.00 0.00 H new ATOM 0 HB3 ASN A 5 -3.933 12.620 10.001 1.00 0.00 H new ATOM 0 HD21 ASN A 5 -5.742 13.729 9.331 1.00 0.00 H new ATOM 0 HD22 ASN A 5 -6.634 13.367 7.850 1.00 0.00 H new ATOM 35 N LEU A 6 -2.061 9.983 6.841 1.00 0.00 N ATOM 36 CA LEU A 6 -1.999 8.700 6.151 1.00 0.00 C ATOM 37 C LEU A 6 -1.060 7.738 6.873 1.00 0.00 C ATOM 38 O LEU A 6 -1.335 6.543 6.986 1.00 0.00 O ATOM 39 CB LEU A 6 -1.540 8.912 4.702 1.00 0.00 C ATOM 40 CG LEU A 6 -1.599 7.673 3.805 1.00 0.00 C ATOM 41 CD1 LEU A 6 -2.701 6.736 4.267 1.00 0.00 C ATOM 42 CD2 LEU A 6 -1.810 8.072 2.348 1.00 0.00 C ATOM 0 H LEU A 6 -1.536 10.731 6.388 1.00 0.00 H new ATOM 0 HA LEU A 6 -2.995 8.257 6.148 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -2.155 9.693 4.255 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -0.515 9.282 4.714 1.00 0.00 H new ATOM 0 HG LEU A 6 -0.646 7.149 3.880 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -2.730 5.860 3.619 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -2.506 6.422 5.292 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -3.660 7.252 4.222 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -1.849 7.177 1.728 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -2.747 8.620 2.253 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -0.985 8.705 2.021 1.00 0.00 H new ATOM 54 N GLU A 7 0.053 8.276 7.347 1.00 0.00 N ATOM 55 CA GLU A 7 1.061 7.497 8.055 1.00 0.00 C ATOM 56 C GLU A 7 0.582 7.093 9.445 1.00 0.00 C ATOM 57 O GLU A 7 1.155 6.203 10.074 1.00 0.00 O ATOM 58 CB GLU A 7 2.356 8.300 8.173 1.00 0.00 C ATOM 59 CG GLU A 7 2.391 9.532 7.284 1.00 0.00 C ATOM 60 CD GLU A 7 3.714 10.268 7.357 1.00 0.00 C ATOM 61 OE1 GLU A 7 4.762 9.596 7.469 1.00 0.00 O ATOM 62 OE2 GLU A 7 3.704 11.516 7.304 1.00 0.00 O ATOM 0 H GLU A 7 0.284 9.265 7.253 1.00 0.00 H new ATOM 0 HA GLU A 7 1.242 6.589 7.480 1.00 0.00 H new ATOM 0 HB2 GLU A 7 2.490 8.607 9.210 1.00 0.00 H new ATOM 0 HB3 GLU A 7 3.198 7.655 7.920 1.00 0.00 H new ATOM 0 HG2 GLU A 7 2.201 9.236 6.252 1.00 0.00 H new ATOM 0 HG3 GLU A 7 1.587 10.208 7.575 1.00 0.00 H new ATOM 69 N THR A 8 -0.460 7.758 9.926 1.00 0.00 N ATOM 70 CA THR A 8 -1.000 7.471 11.250 1.00 0.00 C ATOM 71 C THR A 8 -1.942 6.271 11.222 1.00 0.00 C ATOM 72 O THR A 8 -2.419 5.827 12.265 1.00 0.00 O ATOM 73 CB THR A 8 -1.731 8.695 11.802 1.00 0.00 C ATOM 74 OG1 THR A 8 -2.147 8.470 13.139 1.00 0.00 O ATOM 75 CG2 THR A 8 -2.954 9.071 10.998 1.00 0.00 C ATOM 0 H THR A 8 -0.948 8.498 9.421 1.00 0.00 H new ATOM 0 HA THR A 8 -0.162 7.227 11.903 1.00 0.00 H new ATOM 0 HB THR A 8 -1.012 9.513 11.745 1.00 0.00 H new ATOM 0 HG1 THR A 8 -2.228 7.506 13.299 1.00 0.00 H new ATOM 0 HG21 THR A 8 -3.426 9.947 11.442 1.00 0.00 H new ATOM 0 HG22 THR A 8 -2.660 9.298 9.973 1.00 0.00 H new ATOM 0 HG23 THR A 8 -3.659 8.240 10.998 1.00 0.00 H new ATOM 83 N TYR A 9 -2.208 5.751 10.030 1.00 0.00 N ATOM 84 CA TYR A 9 -3.092 4.607 9.890 1.00 0.00 C ATOM 85 C TYR A 9 -2.339 3.301 10.111 1.00 0.00 C ATOM 86 O TYR A 9 -1.112 3.286 10.208 1.00 0.00 O ATOM 87 CB TYR A 9 -3.752 4.610 8.513 1.00 0.00 C ATOM 88 CG TYR A 9 -4.762 5.718 8.340 1.00 0.00 C ATOM 89 CD1 TYR A 9 -4.364 6.983 7.932 1.00 0.00 C ATOM 90 CD2 TYR A 9 -6.111 5.503 8.591 1.00 0.00 C ATOM 91 CE1 TYR A 9 -5.282 8.003 7.777 1.00 0.00 C ATOM 92 CE2 TYR A 9 -7.036 6.517 8.437 1.00 0.00 C ATOM 93 CZ TYR A 9 -6.616 7.767 8.030 1.00 0.00 C ATOM 94 OH TYR A 9 -7.533 8.782 7.871 1.00 0.00 O ATOM 0 H TYR A 9 -1.825 6.103 9.152 1.00 0.00 H new ATOM 0 HA TYR A 9 -3.867 4.685 10.653 1.00 0.00 H new ATOM 0 HB2 TYR A 9 -2.981 4.707 7.748 1.00 0.00 H new ATOM 0 HB3 TYR A 9 -4.243 3.651 8.351 1.00 0.00 H new ATOM 0 HD1 TYR A 9 -3.320 7.173 7.732 1.00 0.00 H new ATOM 0 HD2 TYR A 9 -6.442 4.526 8.912 1.00 0.00 H new ATOM 0 HE1 TYR A 9 -4.956 8.982 7.459 1.00 0.00 H new ATOM 0 HE2 TYR A 9 -8.082 6.333 8.634 1.00 0.00 H new ATOM 0 HH TYR A 9 -8.429 8.450 8.089 1.00 0.00 H new ATOM 104 N GLU A 10 -3.087 2.208 10.203 1.00 0.00 N ATOM 105 CA GLU A 10 -2.503 0.892 10.431 1.00 0.00 C ATOM 106 C GLU A 10 -1.920 0.305 9.157 1.00 0.00 C ATOM 107 O GLU A 10 -1.904 -0.914 8.985 1.00 0.00 O ATOM 108 CB GLU A 10 -3.562 -0.064 10.970 1.00 0.00 C ATOM 109 CG GLU A 10 -3.041 -1.470 11.216 1.00 0.00 C ATOM 110 CD GLU A 10 -3.084 -1.861 12.679 1.00 0.00 C ATOM 111 OE1 GLU A 10 -3.583 -1.057 13.495 1.00 0.00 O ATOM 112 OE2 GLU A 10 -2.619 -2.973 13.012 1.00 0.00 O ATOM 0 H GLU A 10 -4.104 2.208 10.123 1.00 0.00 H new ATOM 0 HA GLU A 10 -1.699 1.017 11.156 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -3.960 0.336 11.903 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -4.391 -0.111 10.264 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -3.633 -2.179 10.637 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -2.015 -1.541 10.855 1.00 0.00 H new ATOM 119 N TRP A 11 -1.466 1.152 8.247 1.00 0.00 N ATOM 120 CA TRP A 11 -0.932 0.644 6.996 1.00 0.00 C ATOM 121 C TRP A 11 0.053 1.592 6.313 1.00 0.00 C ATOM 122 O TRP A 11 0.758 1.180 5.393 1.00 0.00 O ATOM 123 CB TRP A 11 -2.100 0.353 6.064 1.00 0.00 C ATOM 124 CG TRP A 11 -3.235 1.307 6.272 1.00 0.00 C ATOM 125 CD1 TRP A 11 -4.212 1.233 7.221 1.00 0.00 C ATOM 126 CD2 TRP A 11 -3.494 2.491 5.523 1.00 0.00 C ATOM 127 NE1 TRP A 11 -5.065 2.302 7.102 1.00 0.00 N ATOM 128 CE2 TRP A 11 -4.646 3.087 6.062 1.00 0.00 C ATOM 129 CE3 TRP A 11 -2.863 3.101 4.443 1.00 0.00 C ATOM 130 CZ2 TRP A 11 -5.179 4.266 5.555 1.00 0.00 C ATOM 131 CZ3 TRP A 11 -3.389 4.271 3.939 1.00 0.00 C ATOM 132 CH2 TRP A 11 -4.540 4.845 4.494 1.00 0.00 C ATOM 0 H TRP A 11 -1.456 2.167 8.346 1.00 0.00 H new ATOM 0 HA TRP A 11 -0.364 -0.258 7.225 1.00 0.00 H new ATOM 0 HB2 TRP A 11 -1.762 0.412 5.030 1.00 0.00 H new ATOM 0 HB3 TRP A 11 -2.449 -0.667 6.227 1.00 0.00 H new ATOM 0 HD1 TRP A 11 -4.301 0.449 7.958 1.00 0.00 H new ATOM 0 HE1 TRP A 11 -5.878 2.482 7.692 1.00 0.00 H new ATOM 0 HE3 TRP A 11 -1.976 2.665 4.007 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 -6.066 4.709 5.984 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 -2.906 4.753 3.102 1.00 0.00 H new ATOM 0 HH2 TRP A 11 -4.930 5.762 4.076 1.00 0.00 H new ATOM 143 N TYR A 12 0.122 2.850 6.736 1.00 0.00 N ATOM 144 CA TYR A 12 1.046 3.770 6.100 1.00 0.00 C ATOM 145 C TYR A 12 2.395 3.763 6.792 1.00 0.00 C ATOM 146 O TYR A 12 2.523 4.115 7.964 1.00 0.00 O ATOM 147 CB TYR A 12 0.505 5.200 6.041 1.00 0.00 C ATOM 148 CG TYR A 12 1.422 6.131 5.263 1.00 0.00 C ATOM 149 CD1 TYR A 12 2.631 5.667 4.761 1.00 0.00 C ATOM 150 CD2 TYR A 12 1.085 7.455 5.021 1.00 0.00 C ATOM 151 CE1 TYR A 12 3.481 6.488 4.048 1.00 0.00 C ATOM 152 CE2 TYR A 12 1.929 8.288 4.307 1.00 0.00 C ATOM 153 CZ TYR A 12 3.125 7.800 3.824 1.00 0.00 C ATOM 154 OH TYR A 12 3.964 8.626 3.114 1.00 0.00 O ATOM 0 H TYR A 12 -0.435 3.244 7.494 1.00 0.00 H new ATOM 0 HA TYR A 12 1.166 3.416 5.076 1.00 0.00 H new ATOM 0 HB2 TYR A 12 -0.482 5.194 5.578 1.00 0.00 H new ATOM 0 HB3 TYR A 12 0.379 5.581 7.055 1.00 0.00 H new ATOM 0 HD1 TYR A 12 2.913 4.639 4.933 1.00 0.00 H new ATOM 0 HD2 TYR A 12 0.149 7.842 5.396 1.00 0.00 H new ATOM 0 HE1 TYR A 12 4.417 6.105 3.669 1.00 0.00 H new ATOM 0 HE2 TYR A 12 1.652 9.317 4.129 1.00 0.00 H new ATOM 0 HH TYR A 12 3.865 9.547 3.435 1.00 0.00 H new ATOM 164 N ASN A 13 3.395 3.371 6.030 1.00 0.00 N ATOM 165 CA ASN A 13 4.759 3.311 6.493 1.00 0.00 C ATOM 166 C ASN A 13 5.469 4.613 6.122 1.00 0.00 C ATOM 167 O ASN A 13 5.251 5.160 5.043 1.00 0.00 O ATOM 168 CB ASN A 13 5.433 2.106 5.859 1.00 0.00 C ATOM 169 CG ASN A 13 6.256 1.307 6.842 1.00 0.00 C ATOM 170 OD1 ASN A 13 5.805 0.094 7.119 1.00 0.00 O flip ATOM 171 ND2 ASN A 13 7.279 1.771 7.345 1.00 0.00 N flip ATOM 0 H ASN A 13 3.278 3.082 5.059 1.00 0.00 H new ATOM 0 HA ASN A 13 4.801 3.200 7.577 1.00 0.00 H new ATOM 0 HB2 ASN A 13 4.673 1.460 5.420 1.00 0.00 H new ATOM 0 HB3 ASN A 13 6.075 2.442 5.044 1.00 0.00 H new ATOM 0 HD21 ASN A 13 7.586 2.712 7.100 1.00 0.00 H new ATOM 0 HD22 ASN A 13 7.819 1.214 8.007 1.00 0.00 H new ATOM 178 N LYS A 14 6.264 5.134 7.045 1.00 0.00 N ATOM 179 CA LYS A 14 6.950 6.409 6.846 1.00 0.00 C ATOM 180 C LYS A 14 7.546 6.550 5.449 1.00 0.00 C ATOM 181 O LYS A 14 6.858 6.937 4.505 1.00 0.00 O ATOM 182 CB LYS A 14 8.065 6.557 7.880 1.00 0.00 C ATOM 183 CG LYS A 14 7.626 6.251 9.296 1.00 0.00 C ATOM 184 CD LYS A 14 6.598 7.255 9.793 1.00 0.00 C ATOM 185 CE LYS A 14 5.198 6.900 9.321 1.00 0.00 C ATOM 186 NZ LYS A 14 4.288 6.595 10.460 1.00 0.00 N ATOM 0 H LYS A 14 6.453 4.693 7.945 1.00 0.00 H new ATOM 0 HA LYS A 14 6.202 7.193 6.964 1.00 0.00 H new ATOM 0 HB2 LYS A 14 8.887 5.893 7.612 1.00 0.00 H new ATOM 0 HB3 LYS A 14 8.452 7.575 7.841 1.00 0.00 H new ATOM 0 HG2 LYS A 14 7.204 5.247 9.338 1.00 0.00 H new ATOM 0 HG3 LYS A 14 8.493 6.260 9.956 1.00 0.00 H new ATOM 0 HD2 LYS A 14 6.618 7.289 10.882 1.00 0.00 H new ATOM 0 HD3 LYS A 14 6.861 8.252 9.438 1.00 0.00 H new ATOM 0 HE2 LYS A 14 4.789 7.728 8.742 1.00 0.00 H new ATOM 0 HE3 LYS A 14 5.247 6.039 8.655 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 3.312 6.508 10.111 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 4.578 5.701 10.906 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 4.338 7.363 11.160 1.00 0.00 H new ATOM 200 N SER A 15 8.831 6.255 5.329 1.00 0.00 N ATOM 201 CA SER A 15 9.537 6.368 4.058 1.00 0.00 C ATOM 202 C SER A 15 10.507 5.211 3.860 1.00 0.00 C ATOM 203 O SER A 15 11.691 5.418 3.595 1.00 0.00 O ATOM 204 CB SER A 15 10.290 7.697 3.988 1.00 0.00 C ATOM 205 OG SER A 15 11.676 7.510 4.215 1.00 0.00 O ATOM 0 H SER A 15 9.412 5.933 6.103 1.00 0.00 H new ATOM 0 HA SER A 15 8.796 6.331 3.259 1.00 0.00 H new ATOM 0 HB2 SER A 15 10.137 8.154 3.011 1.00 0.00 H new ATOM 0 HB3 SER A 15 9.887 8.387 4.729 1.00 0.00 H new ATOM 0 HG SER A 15 12.024 6.846 3.584 1.00 0.00 H new ATOM 211 N ILE A 16 9.996 3.997 3.990 1.00 0.00 N ATOM 212 CA ILE A 16 10.811 2.803 3.824 1.00 0.00 C ATOM 213 C ILE A 16 10.752 2.286 2.390 1.00 0.00 C ATOM 214 O ILE A 16 11.741 2.344 1.659 1.00 0.00 O ATOM 215 CB ILE A 16 10.366 1.677 4.775 1.00 0.00 C ATOM 216 CG1 ILE A 16 11.121 0.393 4.443 1.00 0.00 C ATOM 217 CG2 ILE A 16 8.860 1.457 4.682 1.00 0.00 C ATOM 218 CD1 ILE A 16 10.483 -0.405 3.332 1.00 0.00 C ATOM 0 H ILE A 16 9.018 3.812 4.211 1.00 0.00 H new ATOM 0 HA ILE A 16 11.835 3.091 4.064 1.00 0.00 H new ATOM 0 HB ILE A 16 10.599 1.968 5.799 1.00 0.00 H new ATOM 0 HG12 ILE A 16 12.143 0.644 4.160 1.00 0.00 H new ATOM 0 HG13 ILE A 16 11.181 -0.227 5.338 1.00 0.00 H new ATOM 0 HG21 ILE A 16 8.566 0.657 5.362 1.00 0.00 H new ATOM 0 HG22 ILE A 16 8.341 2.375 4.956 1.00 0.00 H new ATOM 0 HG23 ILE A 16 8.595 1.181 3.661 1.00 0.00 H new ATOM 0 HD11 ILE A 16 11.070 -1.305 3.147 1.00 0.00 H new ATOM 0 HD12 ILE A 16 9.470 -0.686 3.621 1.00 0.00 H new ATOM 0 HD13 ILE A 16 10.447 0.198 2.425 1.00 0.00 H new ATOM 230 N SER A 17 9.589 1.776 1.996 1.00 0.00 N ATOM 231 CA SER A 17 9.403 1.244 0.652 1.00 0.00 C ATOM 232 C SER A 17 8.478 0.029 0.670 1.00 0.00 C ATOM 233 O SER A 17 8.347 -0.654 1.685 1.00 0.00 O ATOM 234 CB SER A 17 10.753 0.864 0.041 1.00 0.00 C ATOM 235 OG SER A 17 10.583 0.173 -1.184 1.00 0.00 O ATOM 0 H SER A 17 8.761 1.720 2.589 1.00 0.00 H new ATOM 0 HA SER A 17 8.941 2.020 0.041 1.00 0.00 H new ATOM 0 HB2 SER A 17 11.346 1.763 -0.125 1.00 0.00 H new ATOM 0 HB3 SER A 17 11.309 0.239 0.740 1.00 0.00 H new ATOM 0 HG SER A 17 11.461 -0.057 -1.554 1.00 0.00 H new ATOM 241 N ARG A 18 7.839 -0.223 -0.465 1.00 0.00 N ATOM 242 CA ARG A 18 6.919 -1.343 -0.609 1.00 0.00 C ATOM 243 C ARG A 18 7.593 -2.677 -0.297 1.00 0.00 C ATOM 244 O ARG A 18 6.916 -3.656 0.009 1.00 0.00 O ATOM 245 CB ARG A 18 6.345 -1.372 -2.028 1.00 0.00 C ATOM 246 CG ARG A 18 6.845 -2.541 -2.861 1.00 0.00 C ATOM 247 CD ARG A 18 6.912 -2.183 -4.337 1.00 0.00 C ATOM 248 NE ARG A 18 7.978 -1.226 -4.620 1.00 0.00 N ATOM 249 CZ ARG A 18 9.231 -1.578 -4.888 1.00 0.00 C ATOM 250 NH1 ARG A 18 9.572 -2.859 -4.909 1.00 0.00 N ATOM 251 NH2 ARG A 18 10.143 -0.650 -5.136 1.00 0.00 N ATOM 0 H ARG A 18 7.943 0.341 -1.309 1.00 0.00 H new ATOM 0 HA ARG A 18 6.113 -1.200 0.111 1.00 0.00 H new ATOM 0 HB2 ARG A 18 5.257 -1.416 -1.971 1.00 0.00 H new ATOM 0 HB3 ARG A 18 6.600 -0.441 -2.534 1.00 0.00 H new ATOM 0 HG2 ARG A 18 7.833 -2.841 -2.513 1.00 0.00 H new ATOM 0 HG3 ARG A 18 6.185 -3.397 -2.722 1.00 0.00 H new ATOM 0 HD2 ARG A 18 7.073 -3.088 -4.923 1.00 0.00 H new ATOM 0 HD3 ARG A 18 5.956 -1.765 -4.652 1.00 0.00 H new ATOM 0 HE ARG A 18 7.748 -0.232 -4.611 1.00 0.00 H new ATOM 0 HH11 ARG A 18 8.872 -3.576 -4.719 1.00 0.00 H new ATOM 0 HH12 ARG A 18 10.534 -3.127 -5.115 1.00 0.00 H new ATOM 0 HH21 ARG A 18 9.884 0.336 -5.121 1.00 0.00 H new ATOM 0 HH22 ARG A 18 11.104 -0.922 -5.342 1.00 0.00 H new ATOM 265 N ASP A 19 8.921 -2.728 -0.398 1.00 0.00 N ATOM 266 CA ASP A 19 9.645 -3.973 -0.149 1.00 0.00 C ATOM 267 C ASP A 19 9.318 -4.520 1.228 1.00 0.00 C ATOM 268 O ASP A 19 9.084 -5.723 1.400 1.00 0.00 O ATOM 269 CB ASP A 19 11.151 -3.731 -0.245 1.00 0.00 C ATOM 270 CG ASP A 19 11.904 -4.949 -0.737 1.00 0.00 C ATOM 271 OD1 ASP A 19 11.611 -6.064 -0.256 1.00 0.00 O ATOM 272 OD2 ASP A 19 12.790 -4.791 -1.604 1.00 0.00 O ATOM 0 H ASP A 19 9.510 -1.933 -0.647 1.00 0.00 H new ATOM 0 HA ASP A 19 9.338 -4.699 -0.902 1.00 0.00 H new ATOM 0 HB2 ASP A 19 11.339 -2.895 -0.919 1.00 0.00 H new ATOM 0 HB3 ASP A 19 11.533 -3.443 0.735 1.00 0.00 H new ATOM 277 N LYS A 20 9.242 -3.632 2.197 1.00 0.00 N ATOM 278 CA LYS A 20 8.891 -4.034 3.542 1.00 0.00 C ATOM 279 C LYS A 20 7.400 -4.261 3.581 1.00 0.00 C ATOM 280 O LYS A 20 6.918 -5.247 4.132 1.00 0.00 O ATOM 281 CB LYS A 20 9.320 -2.980 4.554 1.00 0.00 C ATOM 282 CG LYS A 20 8.220 -2.543 5.498 1.00 0.00 C ATOM 283 CD LYS A 20 8.781 -1.685 6.618 1.00 0.00 C ATOM 284 CE LYS A 20 10.303 -1.658 6.583 1.00 0.00 C ATOM 285 NZ LYS A 20 10.897 -2.708 7.454 1.00 0.00 N ATOM 0 H LYS A 20 9.417 -2.634 2.080 1.00 0.00 H new ATOM 0 HA LYS A 20 9.412 -4.953 3.810 1.00 0.00 H new ATOM 0 HB2 LYS A 20 10.152 -3.372 5.140 1.00 0.00 H new ATOM 0 HB3 LYS A 20 9.691 -2.107 4.017 1.00 0.00 H new ATOM 0 HG2 LYS A 20 7.464 -1.983 4.948 1.00 0.00 H new ATOM 0 HG3 LYS A 20 7.725 -3.419 5.918 1.00 0.00 H new ATOM 0 HD2 LYS A 20 8.395 -0.670 6.530 1.00 0.00 H new ATOM 0 HD3 LYS A 20 8.444 -2.072 7.580 1.00 0.00 H new ATOM 0 HE2 LYS A 20 10.645 -1.800 5.558 1.00 0.00 H new ATOM 0 HE3 LYS A 20 10.656 -0.678 6.904 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 11.917 -2.781 7.263 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 10.749 -2.456 8.452 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 10.441 -3.622 7.256 1.00 0.00 H new ATOM 299 N ALA A 21 6.677 -3.366 2.927 1.00 0.00 N ATOM 300 CA ALA A 21 5.243 -3.499 2.830 1.00 0.00 C ATOM 301 C ALA A 21 4.944 -4.908 2.340 1.00 0.00 C ATOM 302 O ALA A 21 4.171 -5.654 2.954 1.00 0.00 O ATOM 303 CB ALA A 21 4.690 -2.441 1.885 1.00 0.00 C ATOM 0 H ALA A 21 7.063 -2.546 2.460 1.00 0.00 H new ATOM 0 HA ALA A 21 4.764 -3.345 3.797 1.00 0.00 H new ATOM 0 HB1 ALA A 21 3.607 -2.546 1.815 1.00 0.00 H new ATOM 0 HB2 ALA A 21 4.935 -1.449 2.266 1.00 0.00 H new ATOM 0 HB3 ALA A 21 5.131 -2.569 0.897 1.00 0.00 H new ATOM 309 N GLU A 22 5.629 -5.292 1.264 1.00 0.00 N ATOM 310 CA GLU A 22 5.501 -6.634 0.722 1.00 0.00 C ATOM 311 C GLU A 22 6.093 -7.620 1.712 1.00 0.00 C ATOM 312 O GLU A 22 5.493 -8.648 2.024 1.00 0.00 O ATOM 313 CB GLU A 22 6.210 -6.762 -0.631 1.00 0.00 C ATOM 314 CG GLU A 22 6.383 -5.447 -1.369 1.00 0.00 C ATOM 315 CD GLU A 22 6.218 -5.596 -2.869 1.00 0.00 C ATOM 316 OE1 GLU A 22 5.346 -6.381 -3.296 1.00 0.00 O ATOM 317 OE2 GLU A 22 6.962 -4.928 -3.617 1.00 0.00 O ATOM 0 H GLU A 22 6.276 -4.690 0.755 1.00 0.00 H new ATOM 0 HA GLU A 22 4.444 -6.848 0.562 1.00 0.00 H new ATOM 0 HB2 GLU A 22 7.191 -7.209 -0.473 1.00 0.00 H new ATOM 0 HB3 GLU A 22 5.644 -7.448 -1.262 1.00 0.00 H new ATOM 0 HG2 GLU A 22 5.655 -4.727 -0.997 1.00 0.00 H new ATOM 0 HG3 GLU A 22 7.371 -5.041 -1.154 1.00 0.00 H new ATOM 324 N LYS A 23 7.276 -7.281 2.219 1.00 0.00 N ATOM 325 CA LYS A 23 7.950 -8.127 3.192 1.00 0.00 C ATOM 326 C LYS A 23 7.019 -8.419 4.357 1.00 0.00 C ATOM 327 O LYS A 23 6.802 -9.573 4.723 1.00 0.00 O ATOM 328 CB LYS A 23 9.229 -7.456 3.697 1.00 0.00 C ATOM 329 CG LYS A 23 9.161 -7.041 5.158 1.00 0.00 C ATOM 330 CD LYS A 23 10.545 -6.755 5.720 1.00 0.00 C ATOM 331 CE LYS A 23 11.377 -5.927 4.755 1.00 0.00 C ATOM 332 NZ LYS A 23 12.740 -6.497 4.565 1.00 0.00 N ATOM 0 H LYS A 23 7.783 -6.431 1.972 1.00 0.00 H new ATOM 0 HA LYS A 23 8.222 -9.065 2.707 1.00 0.00 H new ATOM 0 HB2 LYS A 23 10.067 -8.140 3.561 1.00 0.00 H new ATOM 0 HB3 LYS A 23 9.433 -6.576 3.087 1.00 0.00 H new ATOM 0 HG2 LYS A 23 8.536 -6.153 5.257 1.00 0.00 H new ATOM 0 HG3 LYS A 23 8.687 -7.831 5.740 1.00 0.00 H new ATOM 0 HD2 LYS A 23 10.452 -6.226 6.668 1.00 0.00 H new ATOM 0 HD3 LYS A 23 11.056 -7.695 5.928 1.00 0.00 H new ATOM 0 HE2 LYS A 23 10.869 -5.873 3.792 1.00 0.00 H new ATOM 0 HE3 LYS A 23 11.459 -4.907 5.130 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 13.275 -5.903 3.900 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 13.235 -6.525 5.479 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 12.663 -7.461 4.183 1.00 0.00 H new ATOM 346 N LEU A 24 6.445 -7.363 4.916 1.00 0.00 N ATOM 347 CA LEU A 24 5.507 -7.508 6.019 1.00 0.00 C ATOM 348 C LEU A 24 4.230 -8.168 5.516 1.00 0.00 C ATOM 349 O LEU A 24 3.695 -9.074 6.155 1.00 0.00 O ATOM 350 CB LEU A 24 5.184 -6.162 6.676 1.00 0.00 C ATOM 351 CG LEU A 24 6.174 -5.032 6.393 1.00 0.00 C ATOM 352 CD1 LEU A 24 5.506 -3.938 5.570 1.00 0.00 C ATOM 353 CD2 LEU A 24 6.717 -4.466 7.696 1.00 0.00 C ATOM 0 H LEU A 24 6.612 -6.400 4.625 1.00 0.00 H new ATOM 0 HA LEU A 24 5.973 -8.135 6.779 1.00 0.00 H new ATOM 0 HB2 LEU A 24 4.195 -5.845 6.345 1.00 0.00 H new ATOM 0 HB3 LEU A 24 5.127 -6.309 7.755 1.00 0.00 H new ATOM 0 HG LEU A 24 7.009 -5.434 5.819 1.00 0.00 H new ATOM 0 HD11 LEU A 24 6.223 -3.140 5.376 1.00 0.00 H new ATOM 0 HD12 LEU A 24 5.161 -4.354 4.623 1.00 0.00 H new ATOM 0 HD13 LEU A 24 4.656 -3.536 6.121 1.00 0.00 H new ATOM 0 HD21 LEU A 24 7.421 -3.662 7.478 1.00 0.00 H new ATOM 0 HD22 LEU A 24 5.894 -4.075 8.294 1.00 0.00 H new ATOM 0 HD23 LEU A 24 7.226 -5.254 8.251 1.00 0.00 H new ATOM 365 N LEU A 25 3.751 -7.721 4.352 1.00 0.00 N ATOM 366 CA LEU A 25 2.544 -8.291 3.767 1.00 0.00 C ATOM 367 C LEU A 25 2.748 -9.776 3.490 1.00 0.00 C ATOM 368 O LEU A 25 1.833 -10.583 3.659 1.00 0.00 O ATOM 369 CB LEU A 25 2.177 -7.562 2.472 1.00 0.00 C ATOM 370 CG LEU A 25 1.020 -6.560 2.570 1.00 0.00 C ATOM 371 CD1 LEU A 25 0.596 -6.339 4.015 1.00 0.00 C ATOM 372 CD2 LEU A 25 1.410 -5.241 1.922 1.00 0.00 C ATOM 0 H LEU A 25 4.178 -6.974 3.804 1.00 0.00 H new ATOM 0 HA LEU A 25 1.726 -8.170 4.477 1.00 0.00 H new ATOM 0 HB2 LEU A 25 3.060 -7.033 2.113 1.00 0.00 H new ATOM 0 HB3 LEU A 25 1.923 -8.307 1.718 1.00 0.00 H new ATOM 0 HG LEU A 25 0.167 -6.978 2.035 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -0.226 -5.624 4.048 1.00 0.00 H new ATOM 0 HD12 LEU A 25 0.271 -7.285 4.448 1.00 0.00 H new ATOM 0 HD13 LEU A 25 1.439 -5.950 4.586 1.00 0.00 H new ATOM 0 HD21 LEU A 25 0.580 -4.539 1.998 1.00 0.00 H new ATOM 0 HD22 LEU A 25 2.282 -4.829 2.431 1.00 0.00 H new ATOM 0 HD23 LEU A 25 1.648 -5.408 0.872 1.00 0.00 H new ATOM 384 N LEU A 26 3.961 -10.131 3.080 1.00 0.00 N ATOM 385 CA LEU A 26 4.297 -11.521 2.797 1.00 0.00 C ATOM 386 C LEU A 26 4.460 -12.291 4.095 1.00 0.00 C ATOM 387 O LEU A 26 3.821 -13.320 4.315 1.00 0.00 O ATOM 388 CB LEU A 26 5.594 -11.618 1.990 1.00 0.00 C ATOM 389 CG LEU A 26 5.552 -10.980 0.603 1.00 0.00 C ATOM 390 CD1 LEU A 26 4.193 -10.354 0.346 1.00 0.00 C ATOM 391 CD2 LEU A 26 6.657 -9.943 0.471 1.00 0.00 C ATOM 0 H LEU A 26 4.728 -9.474 2.936 1.00 0.00 H new ATOM 0 HA LEU A 26 3.484 -11.951 2.211 1.00 0.00 H new ATOM 0 HB2 LEU A 26 6.394 -11.149 2.563 1.00 0.00 H new ATOM 0 HB3 LEU A 26 5.855 -12.670 1.879 1.00 0.00 H new ATOM 0 HG LEU A 26 5.714 -11.756 -0.145 1.00 0.00 H new ATOM 0 HD11 LEU A 26 4.181 -9.904 -0.647 1.00 0.00 H new ATOM 0 HD12 LEU A 26 3.422 -11.122 0.406 1.00 0.00 H new ATOM 0 HD13 LEU A 26 3.999 -9.586 1.095 1.00 0.00 H new ATOM 0 HD21 LEU A 26 6.618 -9.494 -0.522 1.00 0.00 H new ATOM 0 HD22 LEU A 26 6.521 -9.168 1.225 1.00 0.00 H new ATOM 0 HD23 LEU A 26 7.625 -10.423 0.615 1.00 0.00 H new ATOM 403 N ASP A 27 5.322 -11.770 4.952 1.00 0.00 N ATOM 404 CA ASP A 27 5.588 -12.384 6.244 1.00 0.00 C ATOM 405 C ASP A 27 4.351 -12.324 7.127 1.00 0.00 C ATOM 406 O ASP A 27 4.081 -13.238 7.906 1.00 0.00 O ATOM 407 CB ASP A 27 6.761 -11.686 6.936 1.00 0.00 C ATOM 408 CG ASP A 27 7.696 -12.666 7.617 1.00 0.00 C ATOM 409 OD1 ASP A 27 8.453 -13.358 6.905 1.00 0.00 O ATOM 410 OD2 ASP A 27 7.671 -12.742 8.864 1.00 0.00 O ATOM 0 H ASP A 27 5.853 -10.917 4.775 1.00 0.00 H new ATOM 0 HA ASP A 27 5.850 -13.429 6.079 1.00 0.00 H new ATOM 0 HB2 ASP A 27 7.319 -11.106 6.202 1.00 0.00 H new ATOM 0 HB3 ASP A 27 6.377 -10.982 7.674 1.00 0.00 H new ATOM 415 N THR A 28 3.598 -11.242 6.989 1.00 0.00 N ATOM 416 CA THR A 28 2.381 -11.054 7.762 1.00 0.00 C ATOM 417 C THR A 28 1.295 -12.007 7.290 1.00 0.00 C ATOM 418 O THR A 28 0.583 -12.606 8.095 1.00 0.00 O ATOM 419 CB THR A 28 1.896 -9.607 7.657 1.00 0.00 C ATOM 420 OG1 THR A 28 0.904 -9.340 8.631 1.00 0.00 O ATOM 421 CG2 THR A 28 1.310 -9.270 6.303 1.00 0.00 C ATOM 0 H THR A 28 3.810 -10.479 6.346 1.00 0.00 H new ATOM 0 HA THR A 28 2.604 -11.271 8.807 1.00 0.00 H new ATOM 0 HB THR A 28 2.782 -8.992 7.816 1.00 0.00 H new ATOM 0 HG1 THR A 28 1.240 -8.674 9.267 1.00 0.00 H new ATOM 0 HG21 THR A 28 0.985 -8.229 6.296 1.00 0.00 H new ATOM 0 HG22 THR A 28 2.066 -9.420 5.532 1.00 0.00 H new ATOM 0 HG23 THR A 28 0.456 -9.918 6.105 1.00 0.00 H new ATOM 429 N GLY A 29 1.179 -12.142 5.976 1.00 0.00 N ATOM 430 CA GLY A 29 0.179 -13.026 5.410 1.00 0.00 C ATOM 431 C GLY A 29 -1.190 -12.828 6.025 1.00 0.00 C ATOM 432 O GLY A 29 -1.843 -13.790 6.432 1.00 0.00 O ATOM 0 H GLY A 29 1.759 -11.656 5.292 1.00 0.00 H new ATOM 0 HA2 GLY A 29 0.118 -12.858 4.335 1.00 0.00 H new ATOM 0 HA3 GLY A 29 0.491 -14.060 5.553 1.00 0.00 H new ATOM 436 N LYS A 30 -1.631 -11.576 6.089 1.00 0.00 N ATOM 437 CA LYS A 30 -2.934 -11.248 6.653 1.00 0.00 C ATOM 438 C LYS A 30 -3.955 -11.060 5.553 1.00 0.00 C ATOM 439 O LYS A 30 -3.633 -10.540 4.486 1.00 0.00 O ATOM 440 CB LYS A 30 -2.864 -9.953 7.458 1.00 0.00 C ATOM 441 CG LYS A 30 -1.450 -9.536 7.825 1.00 0.00 C ATOM 442 CD LYS A 30 -1.392 -8.929 9.217 1.00 0.00 C ATOM 443 CE LYS A 30 -1.046 -9.974 10.266 1.00 0.00 C ATOM 444 NZ LYS A 30 -1.989 -9.938 11.418 1.00 0.00 N ATOM 0 H LYS A 30 -1.103 -10.770 5.756 1.00 0.00 H new ATOM 0 HA LYS A 30 -3.227 -12.074 7.301 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -3.331 -9.153 6.884 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -3.447 -10.072 8.372 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -0.790 -10.402 7.777 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -1.082 -8.814 7.096 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -0.649 -8.132 9.237 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -2.353 -8.475 9.457 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -1.065 -10.965 9.812 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -0.030 -9.807 10.623 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -1.459 -10.060 12.304 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -2.484 -9.023 11.433 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -2.684 -10.706 11.322 1.00 0.00 H new ATOM 458 N GLU A 31 -5.197 -11.439 5.813 1.00 0.00 N ATOM 459 CA GLU A 31 -6.225 -11.244 4.816 1.00 0.00 C ATOM 460 C GLU A 31 -6.180 -9.788 4.388 1.00 0.00 C ATOM 461 O GLU A 31 -6.278 -8.885 5.220 1.00 0.00 O ATOM 462 CB GLU A 31 -7.605 -11.595 5.380 1.00 0.00 C ATOM 463 CG GLU A 31 -8.439 -12.461 4.451 1.00 0.00 C ATOM 464 CD GLU A 31 -8.966 -11.692 3.254 1.00 0.00 C ATOM 465 OE1 GLU A 31 -8.378 -10.644 2.916 1.00 0.00 O ATOM 466 OE2 GLU A 31 -9.966 -12.140 2.655 1.00 0.00 O ATOM 0 H GLU A 31 -5.507 -11.872 6.683 1.00 0.00 H new ATOM 0 HA GLU A 31 -6.049 -11.898 3.962 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -7.479 -12.113 6.331 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -8.148 -10.673 5.589 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -7.836 -13.299 4.103 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -9.278 -12.881 5.007 1.00 0.00 H new ATOM 473 N GLY A 32 -6.007 -9.556 3.101 1.00 0.00 N ATOM 474 CA GLY A 32 -5.927 -8.202 2.611 1.00 0.00 C ATOM 475 C GLY A 32 -5.051 -7.319 3.475 1.00 0.00 C ATOM 476 O GLY A 32 -5.410 -6.179 3.763 1.00 0.00 O ATOM 0 H GLY A 32 -5.921 -10.280 2.387 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -5.536 -8.211 1.594 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -6.930 -7.777 2.564 1.00 0.00 H new ATOM 480 N ALA A 33 -3.891 -7.831 3.880 1.00 0.00 N ATOM 481 CA ALA A 33 -2.980 -7.041 4.701 1.00 0.00 C ATOM 482 C ALA A 33 -2.391 -5.925 3.852 1.00 0.00 C ATOM 483 O ALA A 33 -1.743 -6.189 2.841 1.00 0.00 O ATOM 484 CB ALA A 33 -1.879 -7.924 5.270 1.00 0.00 C ATOM 0 H ALA A 33 -3.565 -8.772 3.658 1.00 0.00 H new ATOM 0 HA ALA A 33 -3.525 -6.606 5.539 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -1.207 -7.320 5.880 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -2.322 -8.707 5.885 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -1.318 -8.378 4.453 1.00 0.00 H new ATOM 490 N PHE A 34 -2.637 -4.675 4.234 1.00 0.00 N ATOM 491 CA PHE A 34 -2.136 -3.562 3.444 1.00 0.00 C ATOM 492 C PHE A 34 -1.272 -2.578 4.214 1.00 0.00 C ATOM 493 O PHE A 34 -1.259 -2.535 5.444 1.00 0.00 O ATOM 494 CB PHE A 34 -3.290 -2.816 2.776 1.00 0.00 C ATOM 495 CG PHE A 34 -4.402 -2.429 3.710 1.00 0.00 C ATOM 496 CD1 PHE A 34 -4.204 -1.485 4.707 1.00 0.00 C ATOM 497 CD2 PHE A 34 -5.657 -2.995 3.571 1.00 0.00 C ATOM 498 CE1 PHE A 34 -5.238 -1.117 5.542 1.00 0.00 C ATOM 499 CE2 PHE A 34 -6.691 -2.630 4.409 1.00 0.00 C ATOM 500 CZ PHE A 34 -6.482 -1.690 5.395 1.00 0.00 C ATOM 0 H PHE A 34 -3.167 -4.414 5.065 1.00 0.00 H new ATOM 0 HA PHE A 34 -1.487 -4.015 2.695 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -2.899 -1.915 2.303 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -3.699 -3.441 1.982 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -3.231 -1.034 4.830 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -5.829 -3.730 2.799 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -5.072 -0.378 6.312 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -7.665 -3.082 4.292 1.00 0.00 H new ATOM 0 HZ PHE A 34 -7.291 -1.404 6.050 1.00 0.00 H new ATOM 510 N MET A 35 -0.582 -1.763 3.425 1.00 0.00 N ATOM 511 CA MET A 35 0.287 -0.709 3.916 1.00 0.00 C ATOM 512 C MET A 35 0.366 0.370 2.843 1.00 0.00 C ATOM 513 O MET A 35 -0.009 0.126 1.699 1.00 0.00 O ATOM 514 CB MET A 35 1.681 -1.246 4.237 1.00 0.00 C ATOM 515 CG MET A 35 1.808 -2.750 4.068 1.00 0.00 C ATOM 516 SD MET A 35 2.780 -3.512 5.380 1.00 0.00 S ATOM 517 CE MET A 35 2.795 -5.219 4.841 1.00 0.00 C ATOM 0 H MET A 35 -0.614 -1.820 2.407 1.00 0.00 H new ATOM 0 HA MET A 35 -0.119 -0.299 4.841 1.00 0.00 H new ATOM 0 HB2 MET A 35 2.408 -0.754 3.591 1.00 0.00 H new ATOM 0 HB3 MET A 35 1.935 -0.982 5.263 1.00 0.00 H new ATOM 0 HG2 MET A 35 0.813 -3.196 4.051 1.00 0.00 H new ATOM 0 HG3 MET A 35 2.271 -2.966 3.105 1.00 0.00 H new ATOM 0 HE1 MET A 35 2.127 -5.806 5.472 1.00 0.00 H new ATOM 0 HE2 MET A 35 2.460 -5.276 3.805 1.00 0.00 H new ATOM 0 HE3 MET A 35 3.807 -5.616 4.918 1.00 0.00 H new ATOM 527 N VAL A 36 0.824 1.562 3.193 1.00 0.00 N ATOM 528 CA VAL A 36 0.900 2.631 2.210 1.00 0.00 C ATOM 529 C VAL A 36 2.175 3.451 2.351 1.00 0.00 C ATOM 530 O VAL A 36 2.623 3.738 3.458 1.00 0.00 O ATOM 531 CB VAL A 36 -0.334 3.544 2.293 1.00 0.00 C ATOM 532 CG1 VAL A 36 -1.590 2.739 1.994 1.00 0.00 C ATOM 533 CG2 VAL A 36 -0.420 4.209 3.659 1.00 0.00 C ATOM 0 H VAL A 36 1.142 1.811 4.130 1.00 0.00 H new ATOM 0 HA VAL A 36 0.921 2.157 1.229 1.00 0.00 H new ATOM 0 HB VAL A 36 -0.243 4.334 1.548 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -2.462 3.390 2.054 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -1.521 2.316 0.992 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -1.688 1.934 2.722 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -1.300 4.851 3.696 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -0.495 3.444 4.432 1.00 0.00 H new ATOM 0 HG23 VAL A 36 0.474 4.809 3.828 1.00 0.00 H new ATOM 543 N ARG A 37 2.760 3.811 1.214 1.00 0.00 N ATOM 544 CA ARG A 37 3.987 4.585 1.185 1.00 0.00 C ATOM 545 C ARG A 37 3.800 5.872 0.385 1.00 0.00 C ATOM 546 O ARG A 37 3.231 5.855 -0.707 1.00 0.00 O ATOM 547 CB ARG A 37 5.116 3.751 0.568 1.00 0.00 C ATOM 548 CG ARG A 37 6.519 4.243 0.907 1.00 0.00 C ATOM 549 CD ARG A 37 6.493 5.423 1.863 1.00 0.00 C ATOM 550 NE ARG A 37 7.039 5.100 3.178 1.00 0.00 N ATOM 551 CZ ARG A 37 6.928 3.916 3.777 1.00 0.00 C ATOM 552 NH1 ARG A 37 6.258 2.924 3.200 1.00 0.00 N ATOM 553 NH2 ARG A 37 7.474 3.731 4.974 1.00 0.00 N ATOM 0 H ARG A 37 2.395 3.574 0.291 1.00 0.00 H new ATOM 0 HA ARG A 37 4.249 4.850 2.209 1.00 0.00 H new ATOM 0 HB2 ARG A 37 5.015 2.719 0.904 1.00 0.00 H new ATOM 0 HB3 ARG A 37 4.998 3.746 -0.516 1.00 0.00 H new ATOM 0 HG2 ARG A 37 7.091 3.429 1.352 1.00 0.00 H new ATOM 0 HG3 ARG A 37 7.034 4.531 -0.010 1.00 0.00 H new ATOM 0 HD2 ARG A 37 7.062 6.247 1.431 1.00 0.00 H new ATOM 0 HD3 ARG A 37 5.466 5.770 1.977 1.00 0.00 H new ATOM 0 HE ARG A 37 7.542 5.835 3.674 1.00 0.00 H new ATOM 0 HH11 ARG A 37 5.822 3.065 2.289 1.00 0.00 H new ATOM 0 HH12 ARG A 37 6.180 2.021 3.668 1.00 0.00 H new ATOM 0 HH21 ARG A 37 7.975 4.494 5.429 1.00 0.00 H new ATOM 0 HH22 ARG A 37 7.392 2.826 5.438 1.00 0.00 H new ATOM 567 N ASP A 38 4.293 6.985 0.924 1.00 0.00 N ATOM 568 CA ASP A 38 4.187 8.268 0.244 1.00 0.00 C ATOM 569 C ASP A 38 4.815 8.181 -1.141 1.00 0.00 C ATOM 570 O ASP A 38 5.930 7.683 -1.298 1.00 0.00 O ATOM 571 CB ASP A 38 4.874 9.365 1.061 1.00 0.00 C ATOM 572 CG ASP A 38 5.616 10.356 0.186 1.00 0.00 C ATOM 573 OD1 ASP A 38 6.486 9.922 -0.598 1.00 0.00 O ATOM 574 OD2 ASP A 38 5.329 11.567 0.287 1.00 0.00 O ATOM 0 H ASP A 38 4.768 7.022 1.826 1.00 0.00 H new ATOM 0 HA ASP A 38 3.131 8.519 0.141 1.00 0.00 H new ATOM 0 HB2 ASP A 38 4.128 9.895 1.653 1.00 0.00 H new ATOM 0 HB3 ASP A 38 5.573 8.909 1.762 1.00 0.00 H new ATOM 663 N TYR A 45 0.403 8.747 -2.910 1.00 0.00 N ATOM 664 CA TYR A 45 0.594 7.691 -1.915 1.00 0.00 C ATOM 665 C TYR A 45 0.411 6.304 -2.526 1.00 0.00 C ATOM 666 O TYR A 45 -0.449 6.102 -3.383 1.00 0.00 O ATOM 667 CB TYR A 45 -0.375 7.875 -0.746 1.00 0.00 C ATOM 668 CG TYR A 45 -0.098 9.107 0.085 1.00 0.00 C ATOM 669 CD1 TYR A 45 0.939 9.125 1.011 1.00 0.00 C ATOM 670 CD2 TYR A 45 -0.874 10.251 -0.054 1.00 0.00 C ATOM 671 CE1 TYR A 45 1.195 10.250 1.772 1.00 0.00 C ATOM 672 CE2 TYR A 45 -0.623 11.379 0.704 1.00 0.00 C ATOM 673 CZ TYR A 45 0.412 11.373 1.615 1.00 0.00 C ATOM 674 OH TYR A 45 0.664 12.495 2.371 1.00 0.00 O ATOM 0 HA TYR A 45 1.618 7.768 -1.549 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -1.392 7.930 -1.134 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -0.326 6.996 -0.104 1.00 0.00 H new ATOM 0 HD1 TYR A 45 1.554 8.246 1.138 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -1.686 10.259 -0.766 1.00 0.00 H new ATOM 0 HE1 TYR A 45 2.005 10.249 2.486 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -1.235 12.261 0.583 1.00 0.00 H new ATOM 0 HH TYR A 45 0.022 13.198 2.137 1.00 0.00 H new ATOM 684 N THR A 46 1.215 5.349 -2.066 1.00 0.00 N ATOM 685 CA THR A 46 1.131 3.976 -2.555 1.00 0.00 C ATOM 686 C THR A 46 0.672 3.041 -1.439 1.00 0.00 C ATOM 687 O THR A 46 1.042 3.226 -0.280 1.00 0.00 O ATOM 688 CB THR A 46 2.487 3.520 -3.095 1.00 0.00 C ATOM 689 OG1 THR A 46 2.319 2.628 -4.183 1.00 0.00 O ATOM 690 CG2 THR A 46 3.337 2.823 -2.057 1.00 0.00 C ATOM 0 H THR A 46 1.931 5.501 -1.356 1.00 0.00 H new ATOM 0 HA THR A 46 0.401 3.942 -3.364 1.00 0.00 H new ATOM 0 HB THR A 46 2.997 4.431 -3.408 1.00 0.00 H new ATOM 0 HG1 THR A 46 3.197 2.349 -4.516 1.00 0.00 H new ATOM 0 HG21 THR A 46 4.285 2.525 -2.504 1.00 0.00 H new ATOM 0 HG22 THR A 46 3.525 3.502 -1.225 1.00 0.00 H new ATOM 0 HG23 THR A 46 2.814 1.939 -1.692 1.00 0.00 H new ATOM 698 N VAL A 47 -0.146 2.045 -1.784 1.00 0.00 N ATOM 699 CA VAL A 47 -0.655 1.108 -0.793 1.00 0.00 C ATOM 700 C VAL A 47 -0.256 -0.340 -1.094 1.00 0.00 C ATOM 701 O VAL A 47 -0.619 -0.892 -2.134 1.00 0.00 O ATOM 702 CB VAL A 47 -2.192 1.179 -0.689 1.00 0.00 C ATOM 703 CG1 VAL A 47 -2.699 0.217 0.374 1.00 0.00 C ATOM 704 CG2 VAL A 47 -2.654 2.600 -0.395 1.00 0.00 C ATOM 0 H VAL A 47 -0.466 1.871 -2.737 1.00 0.00 H new ATOM 0 HA VAL A 47 -0.203 1.407 0.153 1.00 0.00 H new ATOM 0 HB VAL A 47 -2.612 0.882 -1.650 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -3.786 0.280 0.434 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -2.409 -0.800 0.112 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -2.267 0.481 1.339 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -3.742 2.622 -0.327 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -2.224 2.934 0.549 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -2.327 3.262 -1.197 1.00 0.00 H new ATOM 714 N SER A 48 0.464 -0.954 -0.153 1.00 0.00 N ATOM 715 CA SER A 48 0.886 -2.348 -0.283 1.00 0.00 C ATOM 716 C SER A 48 -0.128 -3.253 0.415 1.00 0.00 C ATOM 717 O SER A 48 -0.328 -3.141 1.626 1.00 0.00 O ATOM 718 CB SER A 48 2.288 -2.553 0.321 1.00 0.00 C ATOM 719 OG SER A 48 2.926 -3.680 -0.249 1.00 0.00 O ATOM 0 H SER A 48 0.768 -0.504 0.711 1.00 0.00 H new ATOM 0 HA SER A 48 0.933 -2.605 -1.341 1.00 0.00 H new ATOM 0 HB2 SER A 48 2.894 -1.663 0.152 1.00 0.00 H new ATOM 0 HB3 SER A 48 2.207 -2.683 1.400 1.00 0.00 H new ATOM 0 HG SER A 48 3.356 -4.205 0.458 1.00 0.00 H new ATOM 725 N VAL A 49 -0.789 -4.128 -0.350 1.00 0.00 N ATOM 726 CA VAL A 49 -1.800 -5.018 0.212 1.00 0.00 C ATOM 727 C VAL A 49 -1.477 -6.490 -0.003 1.00 0.00 C ATOM 728 O VAL A 49 -0.888 -6.877 -1.013 1.00 0.00 O ATOM 729 CB VAL A 49 -3.191 -4.733 -0.370 1.00 0.00 C ATOM 730 CG1 VAL A 49 -4.273 -5.058 0.649 1.00 0.00 C ATOM 731 CG2 VAL A 49 -3.284 -3.286 -0.827 1.00 0.00 C ATOM 0 H VAL A 49 -0.641 -4.236 -1.353 1.00 0.00 H new ATOM 0 HA VAL A 49 -1.798 -4.815 1.283 1.00 0.00 H new ATOM 0 HB VAL A 49 -3.347 -5.374 -1.238 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -5.253 -4.850 0.219 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -4.213 -6.112 0.920 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -4.130 -4.446 1.539 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -4.276 -3.097 -1.238 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -3.111 -2.625 0.022 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -2.532 -3.097 -1.593 1.00 0.00 H new ATOM 741 N PHE A 50 -1.892 -7.305 0.963 1.00 0.00 N ATOM 742 CA PHE A 50 -1.677 -8.745 0.909 1.00 0.00 C ATOM 743 C PHE A 50 -2.992 -9.490 1.100 1.00 0.00 C ATOM 744 O PHE A 50 -3.601 -9.428 2.173 1.00 0.00 O ATOM 745 CB PHE A 50 -0.671 -9.177 1.975 1.00 0.00 C ATOM 746 CG PHE A 50 -0.525 -10.666 2.090 1.00 0.00 C ATOM 747 CD1 PHE A 50 -1.525 -11.428 2.673 1.00 0.00 C ATOM 748 CD2 PHE A 50 0.607 -11.306 1.613 1.00 0.00 C ATOM 749 CE1 PHE A 50 -1.398 -12.799 2.780 1.00 0.00 C ATOM 750 CE2 PHE A 50 0.741 -12.677 1.718 1.00 0.00 C ATOM 751 CZ PHE A 50 -0.263 -13.425 2.301 1.00 0.00 C ATOM 0 H PHE A 50 -2.383 -6.987 1.799 1.00 0.00 H new ATOM 0 HA PHE A 50 -1.274 -8.992 -0.073 1.00 0.00 H new ATOM 0 HB2 PHE A 50 0.301 -8.741 1.744 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -0.980 -8.774 2.940 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -2.414 -10.944 3.048 1.00 0.00 H new ATOM 0 HD2 PHE A 50 1.394 -10.726 1.154 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -2.184 -13.381 3.237 1.00 0.00 H new ATOM 0 HE2 PHE A 50 1.630 -13.163 1.345 1.00 0.00 H new ATOM 0 HZ PHE A 50 -0.161 -14.497 2.382 1.00 0.00 H new ATOM 761 N THR A 51 -3.428 -10.188 0.056 1.00 0.00 N ATOM 762 CA THR A 51 -4.670 -10.942 0.101 1.00 0.00 C ATOM 763 C THR A 51 -4.426 -12.381 0.542 1.00 0.00 C ATOM 764 O THR A 51 -3.445 -13.006 0.140 1.00 0.00 O ATOM 765 CB THR A 51 -5.350 -10.926 -1.268 1.00 0.00 C ATOM 766 OG1 THR A 51 -6.745 -10.734 -1.132 1.00 0.00 O ATOM 767 CG2 THR A 51 -5.135 -12.200 -2.057 1.00 0.00 C ATOM 0 H THR A 51 -2.934 -10.245 -0.835 1.00 0.00 H new ATOM 0 HA THR A 51 -5.324 -10.466 0.832 1.00 0.00 H new ATOM 0 HB THR A 51 -4.890 -10.100 -1.810 1.00 0.00 H new ATOM 0 HG1 THR A 51 -6.976 -9.817 -1.389 1.00 0.00 H new ATOM 0 HG21 THR A 51 -5.644 -12.123 -3.018 1.00 0.00 H new ATOM 0 HG22 THR A 51 -4.068 -12.350 -2.222 1.00 0.00 H new ATOM 0 HG23 THR A 51 -5.538 -13.046 -1.500 1.00 0.00 H new ATOM 775 N LYS A 52 -5.326 -12.902 1.371 1.00 0.00 N ATOM 776 CA LYS A 52 -5.210 -14.269 1.864 1.00 0.00 C ATOM 777 C LYS A 52 -5.803 -15.257 0.865 1.00 0.00 C ATOM 778 O LYS A 52 -7.009 -15.256 0.616 1.00 0.00 O ATOM 779 CB LYS A 52 -5.913 -14.408 3.215 1.00 0.00 C ATOM 780 CG LYS A 52 -5.565 -15.692 3.953 1.00 0.00 C ATOM 781 CD LYS A 52 -6.778 -16.274 4.660 1.00 0.00 C ATOM 782 CE LYS A 52 -7.071 -17.689 4.190 1.00 0.00 C ATOM 783 NZ LYS A 52 -6.803 -18.695 5.255 1.00 0.00 N ATOM 0 H LYS A 52 -6.143 -12.398 1.715 1.00 0.00 H new ATOM 0 HA LYS A 52 -4.151 -14.496 1.989 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -5.650 -13.556 3.842 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -6.991 -14.369 3.060 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -5.168 -16.422 3.248 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -4.779 -15.493 4.681 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -6.607 -16.275 5.737 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -7.646 -15.641 4.476 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -8.113 -17.759 3.878 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -6.461 -17.915 3.316 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -7.015 -19.647 4.894 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -5.803 -18.646 5.535 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -7.404 -18.495 6.080 1.00 0.00 H new ATOM 797 N ALA A 53 -4.946 -16.096 0.290 1.00 0.00 N ATOM 798 CA ALA A 53 -5.383 -17.085 -0.683 1.00 0.00 C ATOM 799 C ALA A 53 -5.862 -18.360 0.000 1.00 0.00 C ATOM 800 O ALA A 53 -5.416 -18.697 1.097 1.00 0.00 O ATOM 801 CB ALA A 53 -4.256 -17.398 -1.656 1.00 0.00 C ATOM 0 H ALA A 53 -3.945 -16.108 0.483 1.00 0.00 H new ATOM 0 HA ALA A 53 -6.224 -16.666 -1.236 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -4.595 -18.139 -2.379 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -3.964 -16.488 -2.179 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -3.400 -17.791 -1.107 1.00 0.00 H new ATOM 885 N PRO A 59 -1.468 -17.373 -1.277 1.00 0.00 N ATOM 886 CA PRO A 59 -1.849 -16.003 -0.916 1.00 0.00 C ATOM 887 C PRO A 59 -1.383 -14.982 -1.946 1.00 0.00 C ATOM 888 O PRO A 59 -0.218 -14.973 -2.344 1.00 0.00 O ATOM 889 CB PRO A 59 -1.137 -15.779 0.420 1.00 0.00 C ATOM 890 CG PRO A 59 -0.969 -17.143 0.995 1.00 0.00 C ATOM 891 CD PRO A 59 -0.776 -18.066 -0.177 1.00 0.00 C ATOM 0 HA PRO A 59 -2.931 -15.880 -0.864 1.00 0.00 H new ATOM 0 HB2 PRO A 59 -0.174 -15.288 0.278 1.00 0.00 H new ATOM 0 HB3 PRO A 59 -1.725 -15.141 1.080 1.00 0.00 H new ATOM 0 HG2 PRO A 59 -0.111 -17.180 1.667 1.00 0.00 H new ATOM 0 HG3 PRO A 59 -1.843 -17.431 1.579 1.00 0.00 H new ATOM 0 HD2 PRO A 59 0.280 -18.217 -0.399 1.00 0.00 H new ATOM 0 HD3 PRO A 59 -1.206 -19.050 0.011 1.00 0.00 H new ATOM 899 N CYS A 60 -2.301 -14.122 -2.378 1.00 0.00 N ATOM 900 CA CYS A 60 -1.981 -13.098 -3.363 1.00 0.00 C ATOM 901 C CYS A 60 -1.920 -11.716 -2.715 1.00 0.00 C ATOM 902 O CYS A 60 -2.928 -11.200 -2.235 1.00 0.00 O ATOM 903 CB CYS A 60 -3.017 -13.100 -4.488 1.00 0.00 C ATOM 904 SG CYS A 60 -2.364 -12.589 -6.095 1.00 0.00 S ATOM 0 H CYS A 60 -3.270 -14.115 -2.061 1.00 0.00 H new ATOM 0 HA CYS A 60 -1.000 -13.327 -3.780 1.00 0.00 H new ATOM 0 HB2 CYS A 60 -3.435 -14.102 -4.580 1.00 0.00 H new ATOM 0 HB3 CYS A 60 -3.837 -12.436 -4.213 1.00 0.00 H new ATOM 0 HG CYS A 60 -3.315 -12.625 -6.981 1.00 0.00 H new ATOM 910 N ILE A 61 -0.730 -11.126 -2.713 1.00 0.00 N ATOM 911 CA ILE A 61 -0.528 -9.805 -2.132 1.00 0.00 C ATOM 912 C ILE A 61 -0.252 -8.775 -3.221 1.00 0.00 C ATOM 913 O ILE A 61 0.503 -9.040 -4.156 1.00 0.00 O ATOM 914 CB ILE A 61 0.633 -9.817 -1.120 1.00 0.00 C ATOM 915 CG1 ILE A 61 1.499 -8.568 -1.276 1.00 0.00 C ATOM 916 CG2 ILE A 61 1.473 -11.073 -1.297 1.00 0.00 C ATOM 917 CD1 ILE A 61 2.536 -8.425 -0.186 1.00 0.00 C ATOM 0 H ILE A 61 0.112 -11.544 -3.109 1.00 0.00 H new ATOM 0 HA ILE A 61 -1.443 -9.531 -1.608 1.00 0.00 H new ATOM 0 HB ILE A 61 0.213 -9.817 -0.114 1.00 0.00 H new ATOM 0 HG12 ILE A 61 2.000 -8.599 -2.244 1.00 0.00 H new ATOM 0 HG13 ILE A 61 0.858 -7.687 -1.277 1.00 0.00 H new ATOM 0 HG21 ILE A 61 2.290 -11.069 -0.576 1.00 0.00 H new ATOM 0 HG22 ILE A 61 0.850 -11.953 -1.135 1.00 0.00 H new ATOM 0 HG23 ILE A 61 1.881 -11.098 -2.307 1.00 0.00 H new ATOM 0 HD11 ILE A 61 3.118 -7.519 -0.354 1.00 0.00 H new ATOM 0 HD12 ILE A 61 2.040 -8.363 0.782 1.00 0.00 H new ATOM 0 HD13 ILE A 61 3.199 -9.290 -0.199 1.00 0.00 H new ATOM 929 N LYS A 62 -0.873 -7.602 -3.108 1.00 0.00 N ATOM 930 CA LYS A 62 -0.690 -6.553 -4.107 1.00 0.00 C ATOM 931 C LYS A 62 -0.671 -5.161 -3.481 1.00 0.00 C ATOM 932 O LYS A 62 -1.305 -4.913 -2.454 1.00 0.00 O ATOM 933 CB LYS A 62 -1.795 -6.630 -5.161 1.00 0.00 C ATOM 934 CG LYS A 62 -1.872 -7.977 -5.864 1.00 0.00 C ATOM 935 CD LYS A 62 -2.634 -7.876 -7.175 1.00 0.00 C ATOM 936 CE LYS A 62 -3.986 -7.209 -6.983 1.00 0.00 C ATOM 937 NZ LYS A 62 -3.852 -5.760 -6.670 1.00 0.00 N ATOM 0 H LYS A 62 -1.501 -7.356 -2.343 1.00 0.00 H new ATOM 0 HA LYS A 62 0.279 -6.719 -4.577 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -2.754 -6.422 -4.686 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -1.632 -5.850 -5.905 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -0.865 -8.348 -6.055 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -2.360 -8.702 -5.213 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -2.046 -7.308 -7.896 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -2.775 -8.873 -7.593 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -4.582 -7.331 -7.887 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -4.525 -7.706 -6.176 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -4.620 -5.232 -7.133 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -3.907 -5.621 -5.641 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -2.935 -5.413 -7.017 1.00 0.00 H new ATOM 951 N HIS A 63 0.057 -4.254 -4.124 1.00 0.00 N ATOM 952 CA HIS A 63 0.165 -2.874 -3.666 1.00 0.00 C ATOM 953 C HIS A 63 -0.358 -1.919 -4.736 1.00 0.00 C ATOM 954 O HIS A 63 0.023 -2.019 -5.901 1.00 0.00 O ATOM 955 CB HIS A 63 1.619 -2.537 -3.334 1.00 0.00 C ATOM 956 CG HIS A 63 2.376 -3.683 -2.738 1.00 0.00 C ATOM 957 ND1 HIS A 63 1.781 -4.740 -2.088 1.00 0.00 N ATOM 958 CD2 HIS A 63 3.710 -3.929 -2.709 1.00 0.00 C ATOM 959 CE1 HIS A 63 2.749 -5.576 -1.690 1.00 0.00 C ATOM 960 NE2 HIS A 63 3.938 -5.130 -2.043 1.00 0.00 N ATOM 0 H HIS A 63 0.586 -4.453 -4.973 1.00 0.00 H new ATOM 0 HA HIS A 63 -0.438 -2.761 -2.765 1.00 0.00 H new ATOM 0 HB2 HIS A 63 2.125 -2.211 -4.243 1.00 0.00 H new ATOM 0 HB3 HIS A 63 1.640 -1.697 -2.639 1.00 0.00 H new ATOM 0 HD1 HIS A 63 0.780 -4.865 -1.936 1.00 0.00 H new ATOM 0 HD2 HIS A 63 4.473 -3.294 -3.135 1.00 0.00 H new ATOM 0 HE1 HIS A 63 2.578 -6.496 -1.150 1.00 0.00 H new ATOM 968 N TYR A 64 -1.226 -0.992 -4.342 1.00 0.00 N ATOM 969 CA TYR A 64 -1.778 -0.030 -5.290 1.00 0.00 C ATOM 970 C TYR A 64 -1.488 1.397 -4.854 1.00 0.00 C ATOM 971 O TYR A 64 -1.609 1.743 -3.678 1.00 0.00 O ATOM 972 CB TYR A 64 -3.288 -0.226 -5.447 1.00 0.00 C ATOM 973 CG TYR A 64 -3.870 -1.254 -4.509 1.00 0.00 C ATOM 974 CD1 TYR A 64 -3.785 -2.610 -4.796 1.00 0.00 C ATOM 975 CD2 TYR A 64 -4.504 -0.869 -3.337 1.00 0.00 C ATOM 976 CE1 TYR A 64 -4.317 -3.554 -3.939 1.00 0.00 C ATOM 977 CE2 TYR A 64 -5.037 -1.804 -2.476 1.00 0.00 C ATOM 978 CZ TYR A 64 -4.941 -3.145 -2.778 1.00 0.00 C ATOM 979 OH TYR A 64 -5.472 -4.081 -1.920 1.00 0.00 O ATOM 0 H TYR A 64 -1.559 -0.887 -3.384 1.00 0.00 H new ATOM 0 HA TYR A 64 -1.297 -0.205 -6.252 1.00 0.00 H new ATOM 0 HB2 TYR A 64 -3.788 0.728 -5.281 1.00 0.00 H new ATOM 0 HB3 TYR A 64 -3.501 -0.523 -6.474 1.00 0.00 H new ATOM 0 HD1 TYR A 64 -3.295 -2.932 -5.703 1.00 0.00 H new ATOM 0 HD2 TYR A 64 -4.581 0.181 -3.095 1.00 0.00 H new ATOM 0 HE1 TYR A 64 -4.245 -4.605 -4.176 1.00 0.00 H new ATOM 0 HE2 TYR A 64 -5.528 -1.487 -1.568 1.00 0.00 H new ATOM 0 HH TYR A 64 -6.421 -3.887 -1.772 1.00 0.00 H new ATOM 989 N HIS A 65 -1.102 2.224 -5.818 1.00 0.00 N ATOM 990 CA HIS A 65 -0.797 3.614 -5.556 1.00 0.00 C ATOM 991 C HIS A 65 -2.057 4.465 -5.649 1.00 0.00 C ATOM 992 O HIS A 65 -2.659 4.573 -6.717 1.00 0.00 O ATOM 993 CB HIS A 65 0.237 4.119 -6.558 1.00 0.00 C ATOM 994 CG HIS A 65 0.507 5.577 -6.421 1.00 0.00 C ATOM 995 ND1 HIS A 65 0.994 6.263 -5.365 1.00 0.00 N flip ATOM 996 CD2 HIS A 65 0.263 6.506 -7.404 1.00 0.00 C flip ATOM 997 CE1 HIS A 65 1.055 7.616 -5.686 1.00 0.00 C flip ATOM 998 NE2 HIS A 65 0.602 7.708 -6.923 1.00 0.00 N flip ATOM 0 H HIS A 65 -0.994 1.947 -6.794 1.00 0.00 H new ATOM 0 HA HIS A 65 -0.393 3.694 -4.547 1.00 0.00 H new ATOM 0 HB2 HIS A 65 1.167 3.567 -6.423 1.00 0.00 H new ATOM 0 HB3 HIS A 65 -0.112 3.912 -7.570 1.00 0.00 H new ATOM 0 HD2 HIS A 65 -0.132 6.302 -8.388 1.00 0.00 H new ATOM 0 HE1 HIS A 65 1.400 8.422 -5.055 1.00 0.00 H new ATOM 0 HE2 HIS A 65 0.521 8.581 -7.444 1.00 0.00 H new ATOM 1006 N ILE A 66 -2.454 5.073 -4.537 1.00 0.00 N ATOM 1007 CA ILE A 66 -3.646 5.909 -4.538 1.00 0.00 C ATOM 1008 C ILE A 66 -3.507 7.022 -5.561 1.00 0.00 C ATOM 1009 O ILE A 66 -2.557 7.804 -5.523 1.00 0.00 O ATOM 1010 CB ILE A 66 -3.951 6.520 -3.156 1.00 0.00 C ATOM 1011 CG1 ILE A 66 -4.189 5.405 -2.138 1.00 0.00 C ATOM 1012 CG2 ILE A 66 -5.159 7.443 -3.248 1.00 0.00 C ATOM 1013 CD1 ILE A 66 -3.994 4.015 -2.708 1.00 0.00 C ATOM 0 H ILE A 66 -1.977 5.005 -3.638 1.00 0.00 H new ATOM 0 HA ILE A 66 -4.481 5.258 -4.800 1.00 0.00 H new ATOM 0 HB ILE A 66 -3.097 7.111 -2.825 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -3.511 5.542 -1.296 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -5.203 5.490 -1.748 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -5.366 7.870 -2.267 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -4.951 8.245 -3.956 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -6.026 6.875 -3.587 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -4.179 3.274 -1.931 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -4.690 3.859 -3.532 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -2.972 3.911 -3.072 1.00 0.00 H new ATOM 1025 N LYS A 67 -4.455 7.075 -6.480 1.00 0.00 N ATOM 1026 CA LYS A 67 -4.442 8.079 -7.526 1.00 0.00 C ATOM 1027 C LYS A 67 -5.090 9.365 -7.043 1.00 0.00 C ATOM 1028 O LYS A 67 -6.229 9.365 -6.572 1.00 0.00 O ATOM 1029 CB LYS A 67 -5.175 7.567 -8.767 1.00 0.00 C ATOM 1030 CG LYS A 67 -4.884 6.111 -9.088 1.00 0.00 C ATOM 1031 CD LYS A 67 -5.353 5.745 -10.487 1.00 0.00 C ATOM 1032 CE LYS A 67 -4.609 4.532 -11.023 1.00 0.00 C ATOM 1033 NZ LYS A 67 -4.315 4.657 -12.477 1.00 0.00 N ATOM 0 H LYS A 67 -5.245 6.432 -6.522 1.00 0.00 H new ATOM 0 HA LYS A 67 -3.403 8.284 -7.785 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -6.248 7.691 -8.622 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -4.896 8.182 -9.623 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -3.813 5.925 -9.002 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -5.379 5.470 -8.358 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -6.423 5.539 -10.471 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -5.201 6.592 -11.156 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -3.676 4.407 -10.474 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -5.204 3.635 -10.849 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -3.807 3.810 -12.803 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -5.206 4.751 -13.005 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -3.726 5.498 -12.641 1.00 0.00 H new ATOM 1047 N GLU A 68 -4.354 10.459 -7.175 1.00 0.00 N ATOM 1048 CA GLU A 68 -4.846 11.763 -6.772 1.00 0.00 C ATOM 1049 C GLU A 68 -5.159 12.593 -8.005 1.00 0.00 C ATOM 1050 O GLU A 68 -4.516 12.440 -9.044 1.00 0.00 O ATOM 1051 CB GLU A 68 -3.820 12.485 -5.900 1.00 0.00 C ATOM 1052 CG GLU A 68 -4.281 13.858 -5.438 1.00 0.00 C ATOM 1053 CD GLU A 68 -3.218 14.925 -5.629 1.00 0.00 C ATOM 1054 OE1 GLU A 68 -2.019 14.577 -5.615 1.00 0.00 O ATOM 1055 OE2 GLU A 68 -3.586 16.107 -5.795 1.00 0.00 O ATOM 0 H GLU A 68 -3.410 10.466 -7.560 1.00 0.00 H new ATOM 0 HA GLU A 68 -5.755 11.627 -6.186 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -3.600 11.871 -5.027 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -2.890 12.591 -6.458 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -5.178 14.141 -5.989 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -4.557 13.809 -4.385 1.00 0.00 H new ATOM 1062 N THR A 69 -6.146 13.467 -7.895 1.00 0.00 N ATOM 1063 CA THR A 69 -6.527 14.303 -9.013 1.00 0.00 C ATOM 1064 C THR A 69 -6.704 15.752 -8.572 1.00 0.00 C ATOM 1065 O THR A 69 -6.571 16.072 -7.392 1.00 0.00 O ATOM 1066 CB THR A 69 -7.811 13.777 -9.656 1.00 0.00 C ATOM 1067 OG1 THR A 69 -8.916 14.599 -9.330 1.00 0.00 O ATOM 1068 CG2 THR A 69 -8.152 12.365 -9.236 1.00 0.00 C ATOM 0 H THR A 69 -6.693 13.613 -7.047 1.00 0.00 H new ATOM 0 HA THR A 69 -5.728 14.270 -9.753 1.00 0.00 H new ATOM 0 HB THR A 69 -7.618 13.787 -10.729 1.00 0.00 H new ATOM 0 HG1 THR A 69 -9.647 14.430 -9.960 1.00 0.00 H new ATOM 0 HG21 THR A 69 -9.073 12.052 -9.727 1.00 0.00 H new ATOM 0 HG22 THR A 69 -7.342 11.694 -9.523 1.00 0.00 H new ATOM 0 HG23 THR A 69 -8.287 12.330 -8.155 1.00 0.00 H new ATOM 1149 N ARG A 75 -9.027 14.525 -4.714 1.00 0.00 N ATOM 1150 CA ARG A 75 -9.313 13.352 -5.495 1.00 0.00 C ATOM 1151 C ARG A 75 -8.432 12.140 -5.166 1.00 0.00 C ATOM 1152 O ARG A 75 -7.453 11.900 -5.868 1.00 0.00 O ATOM 1153 CB ARG A 75 -9.223 13.663 -6.984 1.00 0.00 C ATOM 1154 CG ARG A 75 -10.324 14.575 -7.489 1.00 0.00 C ATOM 1155 CD ARG A 75 -11.276 14.997 -6.379 1.00 0.00 C ATOM 1156 NE ARG A 75 -12.644 14.555 -6.635 1.00 0.00 N ATOM 1157 CZ ARG A 75 -13.701 14.998 -5.961 1.00 0.00 C ATOM 1158 NH1 ARG A 75 -13.546 15.891 -4.994 1.00 0.00 N ATOM 1159 NH2 ARG A 75 -14.913 14.546 -6.253 1.00 0.00 N ATOM 0 HA ARG A 75 -10.331 13.071 -5.226 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -8.258 14.126 -7.191 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -9.254 12.728 -7.543 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -9.880 15.462 -7.941 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -10.885 14.065 -8.272 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -10.933 14.584 -5.430 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -11.258 16.082 -6.279 1.00 0.00 H new ATOM 0 HE ARG A 75 -12.797 13.867 -7.373 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -12.615 16.239 -4.766 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -14.358 16.230 -4.478 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -15.035 13.857 -6.996 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -15.723 14.887 -5.735 1.00 0.00 H new ATOM 1173 N TYR A 76 -8.779 11.337 -4.152 1.00 0.00 N ATOM 1174 CA TYR A 76 -7.979 10.150 -3.874 1.00 0.00 C ATOM 1175 C TYR A 76 -8.645 8.936 -4.465 1.00 0.00 C ATOM 1176 O TYR A 76 -9.804 8.647 -4.175 1.00 0.00 O ATOM 1177 CB TYR A 76 -7.793 9.935 -2.388 1.00 0.00 C ATOM 1178 CG TYR A 76 -7.195 11.124 -1.730 1.00 0.00 C ATOM 1179 CD1 TYR A 76 -7.643 12.384 -2.060 1.00 0.00 C ATOM 1180 CD2 TYR A 76 -6.191 10.993 -0.792 1.00 0.00 C ATOM 1181 CE1 TYR A 76 -7.119 13.500 -1.476 1.00 0.00 C ATOM 1182 CE2 TYR A 76 -5.646 12.102 -0.187 1.00 0.00 C ATOM 1183 CZ TYR A 76 -6.114 13.364 -0.529 1.00 0.00 C ATOM 1184 OH TYR A 76 -5.577 14.481 0.068 1.00 0.00 O ATOM 0 H TYR A 76 -9.578 11.483 -3.535 1.00 0.00 H new ATOM 0 HA TYR A 76 -6.998 10.302 -4.325 1.00 0.00 H new ATOM 0 HB2 TYR A 76 -8.756 9.712 -1.930 1.00 0.00 H new ATOM 0 HB3 TYR A 76 -7.153 9.068 -2.223 1.00 0.00 H new ATOM 0 HD1 TYR A 76 -8.426 12.491 -2.797 1.00 0.00 H new ATOM 0 HD2 TYR A 76 -5.829 10.010 -0.530 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -7.483 14.480 -1.748 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -4.861 11.992 0.547 1.00 0.00 H new ATOM 0 HH TYR A 76 -4.886 14.210 0.707 1.00 0.00 H new ATOM 1194 N TYR A 77 -7.915 8.226 -5.298 1.00 0.00 N ATOM 1195 CA TYR A 77 -8.469 7.047 -5.924 1.00 0.00 C ATOM 1196 C TYR A 77 -7.408 6.087 -6.415 1.00 0.00 C ATOM 1197 O TYR A 77 -6.453 6.483 -7.075 1.00 0.00 O ATOM 1198 CB TYR A 77 -9.334 7.456 -7.110 1.00 0.00 C ATOM 1199 CG TYR A 77 -8.529 7.924 -8.307 1.00 0.00 C ATOM 1200 CD1 TYR A 77 -7.865 9.152 -8.299 1.00 0.00 C ATOM 1201 CD2 TYR A 77 -8.426 7.134 -9.444 1.00 0.00 C ATOM 1202 CE1 TYR A 77 -7.130 9.570 -9.393 1.00 0.00 C ATOM 1203 CE2 TYR A 77 -7.692 7.547 -10.539 1.00 0.00 C ATOM 1204 CZ TYR A 77 -7.046 8.764 -10.507 1.00 0.00 C ATOM 1205 OH TYR A 77 -6.313 9.178 -11.596 1.00 0.00 O ATOM 0 H TYR A 77 -6.951 8.440 -5.554 1.00 0.00 H new ATOM 0 HA TYR A 77 -9.057 6.536 -5.162 1.00 0.00 H new ATOM 0 HB2 TYR A 77 -9.955 6.611 -7.407 1.00 0.00 H new ATOM 0 HB3 TYR A 77 -10.009 8.254 -6.800 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -7.926 9.785 -7.426 1.00 0.00 H new ATOM 0 HD2 TYR A 77 -8.929 6.179 -9.473 1.00 0.00 H new ATOM 0 HE1 TYR A 77 -6.624 10.524 -9.374 1.00 0.00 H new ATOM 0 HE2 TYR A 77 -7.625 6.920 -11.415 1.00 0.00 H new ATOM 0 HH TYR A 77 -6.354 8.494 -12.297 1.00 0.00 H new ATOM 1215 N VAL A 78 -7.638 4.810 -6.171 1.00 0.00 N ATOM 1216 CA VAL A 78 -6.755 3.783 -6.672 1.00 0.00 C ATOM 1217 C VAL A 78 -7.603 2.888 -7.561 1.00 0.00 C ATOM 1218 O VAL A 78 -7.641 1.665 -7.440 1.00 0.00 O ATOM 1219 CB VAL A 78 -6.112 2.996 -5.511 1.00 0.00 C ATOM 1220 CG1 VAL A 78 -6.571 3.581 -4.181 1.00 0.00 C ATOM 1221 CG2 VAL A 78 -6.440 1.512 -5.589 1.00 0.00 C ATOM 0 H VAL A 78 -8.429 4.463 -5.629 1.00 0.00 H new ATOM 0 HA VAL A 78 -5.927 4.210 -7.238 1.00 0.00 H new ATOM 0 HB VAL A 78 -5.029 3.090 -5.591 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -6.116 3.024 -3.362 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -6.270 4.627 -4.120 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -7.656 3.511 -4.108 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -5.970 0.991 -4.755 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -7.520 1.375 -5.540 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -6.065 1.105 -6.528 1.00 0.00 H new ATOM 1231 N ALA A 79 -8.293 3.576 -8.463 1.00 0.00 N ATOM 1232 CA ALA A 79 -9.191 2.978 -9.433 1.00 0.00 C ATOM 1233 C ALA A 79 -9.888 4.099 -10.195 1.00 0.00 C ATOM 1234 O ALA A 79 -10.430 5.013 -9.577 1.00 0.00 O ATOM 1235 CB ALA A 79 -10.213 2.083 -8.746 1.00 0.00 C ATOM 0 H ALA A 79 -8.239 4.592 -8.539 1.00 0.00 H new ATOM 0 HA ALA A 79 -8.623 2.354 -10.124 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -10.875 1.646 -9.494 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -9.697 1.287 -8.209 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -10.800 2.674 -8.043 1.00 0.00 H new ATOM 1241 N GLU A 80 -9.886 4.047 -11.516 1.00 0.00 N ATOM 1242 CA GLU A 80 -10.539 5.093 -12.298 1.00 0.00 C ATOM 1243 C GLU A 80 -12.025 5.125 -11.997 1.00 0.00 C ATOM 1244 O GLU A 80 -12.862 5.089 -12.899 1.00 0.00 O ATOM 1245 CB GLU A 80 -10.299 4.886 -13.794 1.00 0.00 C ATOM 1246 CG GLU A 80 -8.858 4.552 -14.138 1.00 0.00 C ATOM 1247 CD GLU A 80 -8.145 5.694 -14.835 1.00 0.00 C ATOM 1248 OE1 GLU A 80 -8.449 5.949 -16.019 1.00 0.00 O ATOM 1249 OE2 GLU A 80 -7.281 6.332 -14.198 1.00 0.00 O ATOM 0 H GLU A 80 -9.449 3.307 -12.066 1.00 0.00 H new ATOM 0 HA GLU A 80 -10.105 6.052 -12.016 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -10.944 4.082 -14.149 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -10.591 5.790 -14.329 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -8.320 4.296 -13.225 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -8.836 3.670 -14.778 1.00 0.00 H new ATOM 1256 N LYS A 81 -12.336 5.205 -10.713 1.00 0.00 N ATOM 1257 CA LYS A 81 -13.712 5.257 -10.262 1.00 0.00 C ATOM 1258 C LYS A 81 -13.791 5.150 -8.737 1.00 0.00 C ATOM 1259 O LYS A 81 -14.550 4.356 -8.190 1.00 0.00 O ATOM 1260 CB LYS A 81 -14.527 4.149 -10.926 1.00 0.00 C ATOM 1261 CG LYS A 81 -16.023 4.325 -10.756 1.00 0.00 C ATOM 1262 CD LYS A 81 -16.362 4.620 -9.311 1.00 0.00 C ATOM 1263 CE LYS A 81 -16.049 6.057 -8.944 1.00 0.00 C ATOM 1264 NZ LYS A 81 -15.665 6.176 -7.511 1.00 0.00 N ATOM 0 H LYS A 81 -11.646 5.235 -9.962 1.00 0.00 H new ATOM 0 HA LYS A 81 -14.134 6.219 -10.552 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -14.290 4.120 -11.989 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -14.231 3.188 -10.507 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -16.374 5.138 -11.391 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -16.540 3.422 -11.080 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -17.420 4.422 -9.138 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -15.801 3.948 -8.661 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -15.239 6.427 -9.572 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -16.918 6.683 -9.143 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -15.029 6.990 -7.388 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -16.519 6.313 -6.933 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -15.178 5.308 -7.209 1.00 0.00 H new ATOM 1278 N TYR A 82 -12.995 5.963 -8.064 1.00 0.00 N ATOM 1279 CA TYR A 82 -12.952 5.988 -6.600 1.00 0.00 C ATOM 1280 C TYR A 82 -12.063 7.118 -6.096 1.00 0.00 C ATOM 1281 O TYR A 82 -10.964 6.880 -5.599 1.00 0.00 O ATOM 1282 CB TYR A 82 -12.449 4.649 -6.065 1.00 0.00 C ATOM 1283 CG TYR A 82 -12.979 3.487 -6.855 1.00 0.00 C ATOM 1284 CD1 TYR A 82 -12.569 3.283 -8.162 1.00 0.00 C ATOM 1285 CD2 TYR A 82 -13.914 2.617 -6.313 1.00 0.00 C ATOM 1286 CE1 TYR A 82 -13.074 2.250 -8.912 1.00 0.00 C ATOM 1287 CE2 TYR A 82 -14.422 1.572 -7.055 1.00 0.00 C ATOM 1288 CZ TYR A 82 -14.001 1.394 -8.356 1.00 0.00 C ATOM 1289 OH TYR A 82 -14.509 0.356 -9.102 1.00 0.00 O ATOM 0 H TYR A 82 -12.360 6.625 -8.509 1.00 0.00 H new ATOM 0 HA TYR A 82 -13.964 6.162 -6.235 1.00 0.00 H new ATOM 0 HB2 TYR A 82 -11.359 4.636 -6.090 1.00 0.00 H new ATOM 0 HB3 TYR A 82 -12.745 4.542 -5.022 1.00 0.00 H new ATOM 0 HD1 TYR A 82 -11.839 3.948 -8.599 1.00 0.00 H new ATOM 0 HD2 TYR A 82 -14.248 2.760 -5.296 1.00 0.00 H new ATOM 0 HE1 TYR A 82 -12.747 2.109 -9.932 1.00 0.00 H new ATOM 0 HE2 TYR A 82 -15.145 0.897 -6.620 1.00 0.00 H new ATOM 0 HH TYR A 82 -15.149 -0.153 -8.562 1.00 0.00 H new ATOM 1299 N VAL A 83 -12.553 8.350 -6.218 1.00 0.00 N ATOM 1300 CA VAL A 83 -11.807 9.514 -5.771 1.00 0.00 C ATOM 1301 C VAL A 83 -12.364 10.032 -4.458 1.00 0.00 C ATOM 1302 O VAL A 83 -13.540 10.384 -4.365 1.00 0.00 O ATOM 1303 CB VAL A 83 -11.844 10.644 -6.812 1.00 0.00 C ATOM 1304 CG1 VAL A 83 -11.173 11.895 -6.254 1.00 0.00 C ATOM 1305 CG2 VAL A 83 -11.181 10.188 -8.109 1.00 0.00 C ATOM 0 H VAL A 83 -13.464 8.563 -6.624 1.00 0.00 H new ATOM 0 HA VAL A 83 -10.773 9.199 -5.634 1.00 0.00 H new ATOM 0 HB VAL A 83 -12.882 10.891 -7.035 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -11.205 12.689 -7.000 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -11.698 12.220 -5.356 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -10.135 11.672 -6.007 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -11.214 10.997 -8.838 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -10.143 9.919 -7.912 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -11.712 9.322 -8.504 1.00 0.00 H new ATOM 1315 N PHE A 84 -11.517 10.066 -3.441 1.00 0.00 N ATOM 1316 CA PHE A 84 -11.938 10.531 -2.130 1.00 0.00 C ATOM 1317 C PHE A 84 -10.944 11.520 -1.533 1.00 0.00 C ATOM 1318 O PHE A 84 -9.828 11.674 -2.033 1.00 0.00 O ATOM 1319 CB PHE A 84 -12.135 9.346 -1.183 1.00 0.00 C ATOM 1320 CG PHE A 84 -12.614 8.101 -1.876 1.00 0.00 C ATOM 1321 CD1 PHE A 84 -11.754 7.357 -2.669 1.00 0.00 C ATOM 1322 CD2 PHE A 84 -13.925 7.674 -1.733 1.00 0.00 C ATOM 1323 CE1 PHE A 84 -12.191 6.213 -3.305 1.00 0.00 C ATOM 1324 CE2 PHE A 84 -14.369 6.530 -2.369 1.00 0.00 C ATOM 1325 CZ PHE A 84 -13.501 5.798 -3.156 1.00 0.00 C ATOM 0 H PHE A 84 -10.540 9.779 -3.498 1.00 0.00 H new ATOM 0 HA PHE A 84 -12.887 11.051 -2.257 1.00 0.00 H new ATOM 0 HB2 PHE A 84 -11.192 9.133 -0.679 1.00 0.00 H new ATOM 0 HB3 PHE A 84 -12.853 9.623 -0.411 1.00 0.00 H new ATOM 0 HD1 PHE A 84 -10.730 7.677 -2.790 1.00 0.00 H new ATOM 0 HD2 PHE A 84 -14.607 8.242 -1.118 1.00 0.00 H new ATOM 0 HE1 PHE A 84 -11.510 5.642 -3.919 1.00 0.00 H new ATOM 0 HE2 PHE A 84 -15.393 6.209 -2.251 1.00 0.00 H new ATOM 0 HZ PHE A 84 -13.845 4.903 -3.654 1.00 0.00 H new ATOM 1335 N ASP A 85 -11.392 12.192 -0.469 1.00 0.00 N ATOM 1336 CA ASP A 85 -10.609 13.193 0.248 1.00 0.00 C ATOM 1337 C ASP A 85 -9.631 12.561 1.222 1.00 0.00 C ATOM 1338 O ASP A 85 -8.871 13.263 1.890 1.00 0.00 O ATOM 1339 CB ASP A 85 -11.554 14.111 1.028 1.00 0.00 C ATOM 1340 CG ASP A 85 -10.813 15.158 1.841 1.00 0.00 C ATOM 1341 OD1 ASP A 85 -10.091 14.776 2.785 1.00 0.00 O ATOM 1342 OD2 ASP A 85 -10.957 16.361 1.535 1.00 0.00 O ATOM 0 H ASP A 85 -12.324 12.051 -0.078 1.00 0.00 H new ATOM 0 HA ASP A 85 -10.038 13.756 -0.491 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -12.229 14.608 0.331 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -12.171 13.509 1.695 1.00 0.00 H new ATOM 1347 N SER A 86 -9.659 11.245 1.327 1.00 0.00 N ATOM 1348 CA SER A 86 -8.778 10.560 2.252 1.00 0.00 C ATOM 1349 C SER A 86 -8.357 9.203 1.724 1.00 0.00 C ATOM 1350 O SER A 86 -9.182 8.304 1.518 1.00 0.00 O ATOM 1351 CB SER A 86 -9.452 10.409 3.617 1.00 0.00 C ATOM 1352 OG SER A 86 -8.694 11.042 4.633 1.00 0.00 O ATOM 0 H SER A 86 -10.275 10.636 0.789 1.00 0.00 H new ATOM 0 HA SER A 86 -7.880 11.168 2.362 1.00 0.00 H new ATOM 0 HB2 SER A 86 -10.452 10.841 3.582 1.00 0.00 H new ATOM 0 HB3 SER A 86 -9.570 9.351 3.853 1.00 0.00 H new ATOM 0 HG SER A 86 -9.147 10.933 5.495 1.00 0.00 H new ATOM 1358 N ILE A 87 -7.060 9.050 1.535 1.00 0.00 N ATOM 1359 CA ILE A 87 -6.519 7.799 1.064 1.00 0.00 C ATOM 1360 C ILE A 87 -6.920 6.705 2.042 1.00 0.00 C ATOM 1361 O ILE A 87 -7.320 5.607 1.650 1.00 0.00 O ATOM 1362 CB ILE A 87 -4.989 7.883 0.947 1.00 0.00 C ATOM 1363 CG1 ILE A 87 -4.538 7.556 -0.473 1.00 0.00 C ATOM 1364 CG2 ILE A 87 -4.320 6.970 1.951 1.00 0.00 C ATOM 1365 CD1 ILE A 87 -4.196 8.791 -1.277 1.00 0.00 C ATOM 0 H ILE A 87 -6.366 9.779 1.702 1.00 0.00 H new ATOM 0 HA ILE A 87 -6.915 7.574 0.074 1.00 0.00 H new ATOM 0 HB ILE A 87 -4.687 8.906 1.171 1.00 0.00 H new ATOM 0 HG12 ILE A 87 -3.667 6.902 -0.431 1.00 0.00 H new ATOM 0 HG13 ILE A 87 -5.328 7.003 -0.982 1.00 0.00 H new ATOM 0 HG21 ILE A 87 -3.238 7.047 1.848 1.00 0.00 H new ATOM 0 HG22 ILE A 87 -4.611 7.263 2.960 1.00 0.00 H new ATOM 0 HG23 ILE A 87 -4.629 5.941 1.769 1.00 0.00 H new ATOM 0 HD11 ILE A 87 -3.882 8.498 -2.279 1.00 0.00 H new ATOM 0 HD12 ILE A 87 -5.073 9.435 -1.346 1.00 0.00 H new ATOM 0 HD13 ILE A 87 -3.387 9.332 -0.787 1.00 0.00 H new ATOM 1377 N PRO A 88 -6.854 7.022 3.345 1.00 0.00 N ATOM 1378 CA PRO A 88 -7.245 6.094 4.403 1.00 0.00 C ATOM 1379 C PRO A 88 -8.721 5.751 4.298 1.00 0.00 C ATOM 1380 O PRO A 88 -9.100 4.580 4.343 1.00 0.00 O ATOM 1381 CB PRO A 88 -6.962 6.864 5.696 1.00 0.00 C ATOM 1382 CG PRO A 88 -6.050 7.972 5.296 1.00 0.00 C ATOM 1383 CD PRO A 88 -6.425 8.317 3.885 1.00 0.00 C ATOM 0 HA PRO A 88 -6.707 5.148 4.350 1.00 0.00 H new ATOM 0 HB2 PRO A 88 -7.882 7.250 6.135 1.00 0.00 H new ATOM 0 HB3 PRO A 88 -6.497 6.221 6.444 1.00 0.00 H new ATOM 0 HG2 PRO A 88 -6.168 8.833 5.954 1.00 0.00 H new ATOM 0 HG3 PRO A 88 -5.007 7.663 5.359 1.00 0.00 H new ATOM 0 HD2 PRO A 88 -7.224 9.057 3.847 1.00 0.00 H new ATOM 0 HD3 PRO A 88 -5.582 8.729 3.330 1.00 0.00 H new ATOM 1391 N LEU A 89 -9.555 6.775 4.112 1.00 0.00 N ATOM 1392 CA LEU A 89 -10.980 6.547 3.949 1.00 0.00 C ATOM 1393 C LEU A 89 -11.162 5.705 2.711 1.00 0.00 C ATOM 1394 O LEU A 89 -11.852 4.683 2.720 1.00 0.00 O ATOM 1395 CB LEU A 89 -11.758 7.861 3.829 1.00 0.00 C ATOM 1396 CG LEU A 89 -11.479 8.689 2.570 1.00 0.00 C ATOM 1397 CD1 LEU A 89 -11.911 7.942 1.317 1.00 0.00 C ATOM 1398 CD2 LEU A 89 -12.187 10.033 2.655 1.00 0.00 C ATOM 0 H LEU A 89 -9.269 7.753 4.072 1.00 0.00 H new ATOM 0 HA LEU A 89 -11.374 6.037 4.828 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -12.824 7.635 3.863 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -11.534 8.475 4.702 1.00 0.00 H new ATOM 0 HG LEU A 89 -10.404 8.860 2.508 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -11.701 8.553 0.439 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -11.362 7.003 1.246 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -12.980 7.734 1.368 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -11.980 10.611 1.754 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -13.261 9.873 2.745 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -11.827 10.579 3.527 1.00 0.00 H new ATOM 1410 N LEU A 90 -10.477 6.118 1.658 1.00 0.00 N ATOM 1411 CA LEU A 90 -10.498 5.377 0.418 1.00 0.00 C ATOM 1412 C LEU A 90 -9.975 3.984 0.728 1.00 0.00 C ATOM 1413 O LEU A 90 -10.515 2.972 0.264 1.00 0.00 O ATOM 1414 CB LEU A 90 -9.644 6.086 -0.631 1.00 0.00 C ATOM 1415 CG LEU A 90 -8.705 5.188 -1.425 1.00 0.00 C ATOM 1416 CD1 LEU A 90 -8.442 5.789 -2.797 1.00 0.00 C ATOM 1417 CD2 LEU A 90 -7.405 4.988 -0.664 1.00 0.00 C ATOM 0 H LEU A 90 -9.902 6.961 1.641 1.00 0.00 H new ATOM 0 HA LEU A 90 -11.505 5.310 0.006 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -10.307 6.597 -1.329 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -9.051 6.854 -0.134 1.00 0.00 H new ATOM 0 HG LEU A 90 -9.175 4.214 -1.562 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -7.769 5.139 -3.356 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -9.383 5.888 -3.337 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -7.984 6.772 -2.682 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -6.741 4.344 -1.241 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -6.925 5.953 -0.503 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -7.615 4.523 0.299 1.00 0.00 H new ATOM 1429 N ILE A 91 -8.958 3.946 1.594 1.00 0.00 N ATOM 1430 CA ILE A 91 -8.402 2.687 2.051 1.00 0.00 C ATOM 1431 C ILE A 91 -9.518 1.915 2.729 1.00 0.00 C ATOM 1432 O ILE A 91 -9.745 0.738 2.448 1.00 0.00 O ATOM 1433 CB ILE A 91 -7.259 2.902 3.069 1.00 0.00 C ATOM 1434 CG1 ILE A 91 -5.895 2.568 2.462 1.00 0.00 C ATOM 1435 CG2 ILE A 91 -7.501 2.058 4.310 1.00 0.00 C ATOM 1436 CD1 ILE A 91 -5.964 2.011 1.061 1.00 0.00 C ATOM 0 H ILE A 91 -8.510 4.774 1.987 1.00 0.00 H new ATOM 0 HA ILE A 91 -7.992 2.148 1.197 1.00 0.00 H new ATOM 0 HB ILE A 91 -7.251 3.956 3.345 1.00 0.00 H new ATOM 0 HG12 ILE A 91 -5.283 3.470 2.453 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -5.390 1.846 3.104 1.00 0.00 H new ATOM 0 HG21 ILE A 91 -6.690 2.216 5.021 1.00 0.00 H new ATOM 0 HG22 ILE A 91 -8.447 2.347 4.768 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -7.539 1.005 4.032 1.00 0.00 H new ATOM 0 HD11 ILE A 91 -4.956 1.801 0.703 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -6.548 1.090 1.064 1.00 0.00 H new ATOM 0 HD13 ILE A 91 -6.438 2.739 0.403 1.00 0.00 H new ATOM 1448 N GLN A 92 -10.242 2.616 3.604 1.00 0.00 N ATOM 1449 CA GLN A 92 -11.373 2.033 4.298 1.00 0.00 C ATOM 1450 C GLN A 92 -12.415 1.618 3.277 1.00 0.00 C ATOM 1451 O GLN A 92 -13.069 0.584 3.412 1.00 0.00 O ATOM 1452 CB GLN A 92 -11.971 3.028 5.296 1.00 0.00 C ATOM 1453 CG GLN A 92 -13.301 3.613 4.849 1.00 0.00 C ATOM 1454 CD GLN A 92 -13.638 4.905 5.563 1.00 0.00 C ATOM 1455 OE1 GLN A 92 -14.081 5.903 4.803 1.00 0.00 O flip ATOM 1456 NE2 GLN A 92 -13.504 5.009 6.782 1.00 0.00 N flip ATOM 0 H GLN A 92 -10.058 3.590 3.844 1.00 0.00 H new ATOM 0 HA GLN A 92 -11.040 1.160 4.859 1.00 0.00 H new ATOM 0 HB2 GLN A 92 -12.107 2.530 6.256 1.00 0.00 H new ATOM 0 HB3 GLN A 92 -11.262 3.840 5.456 1.00 0.00 H new ATOM 0 HG2 GLN A 92 -13.272 3.793 3.774 1.00 0.00 H new ATOM 0 HG3 GLN A 92 -14.093 2.886 5.029 1.00 0.00 H new ATOM 0 HE21 GLN A 92 -13.161 4.218 7.327 1.00 0.00 H new ATOM 0 HE22 GLN A 92 -13.736 5.886 7.248 1.00 0.00 H new ATOM 1465 N TYR A 93 -12.538 2.433 2.235 1.00 0.00 N ATOM 1466 CA TYR A 93 -13.472 2.156 1.159 1.00 0.00 C ATOM 1467 C TYR A 93 -13.048 0.885 0.449 1.00 0.00 C ATOM 1468 O TYR A 93 -13.870 0.022 0.139 1.00 0.00 O ATOM 1469 CB TYR A 93 -13.522 3.323 0.168 1.00 0.00 C ATOM 1470 CG TYR A 93 -14.592 3.171 -0.890 1.00 0.00 C ATOM 1471 CD1 TYR A 93 -15.886 3.625 -0.667 1.00 0.00 C ATOM 1472 CD2 TYR A 93 -14.309 2.574 -2.114 1.00 0.00 C ATOM 1473 CE1 TYR A 93 -16.867 3.489 -1.631 1.00 0.00 C ATOM 1474 CE2 TYR A 93 -15.285 2.435 -3.083 1.00 0.00 C ATOM 1475 CZ TYR A 93 -16.561 2.894 -2.836 1.00 0.00 C ATOM 1476 OH TYR A 93 -17.536 2.758 -3.799 1.00 0.00 O ATOM 0 H TYR A 93 -12.000 3.291 2.116 1.00 0.00 H new ATOM 0 HA TYR A 93 -14.470 2.028 1.578 1.00 0.00 H new ATOM 0 HB2 TYR A 93 -13.694 4.249 0.717 1.00 0.00 H new ATOM 0 HB3 TYR A 93 -12.551 3.417 -0.319 1.00 0.00 H new ATOM 0 HD1 TYR A 93 -16.129 4.092 0.276 1.00 0.00 H new ATOM 0 HD2 TYR A 93 -13.310 2.213 -2.311 1.00 0.00 H new ATOM 0 HE1 TYR A 93 -17.868 3.847 -1.441 1.00 0.00 H new ATOM 0 HE2 TYR A 93 -15.049 1.969 -4.028 1.00 0.00 H new ATOM 0 HH TYR A 93 -17.157 2.319 -4.589 1.00 0.00 H new ATOM 1486 N HIS A 94 -11.748 0.774 0.219 1.00 0.00 N ATOM 1487 CA HIS A 94 -11.188 -0.403 -0.432 1.00 0.00 C ATOM 1488 C HIS A 94 -11.379 -1.632 0.449 1.00 0.00 C ATOM 1489 O HIS A 94 -10.992 -2.738 0.083 1.00 0.00 O ATOM 1490 CB HIS A 94 -9.699 -0.199 -0.720 1.00 0.00 C ATOM 1491 CG HIS A 94 -9.431 0.779 -1.818 1.00 0.00 C ATOM 1492 ND1 HIS A 94 -9.646 0.695 -3.152 1.00 0.00 N flip ATOM 1493 CD2 HIS A 94 -8.859 2.012 -1.599 1.00 0.00 C flip ATOM 1494 CE1 HIS A 94 -9.201 1.867 -3.710 1.00 0.00 C flip ATOM 1495 NE2 HIS A 94 -8.731 2.644 -2.753 1.00 0.00 N flip ATOM 0 H HIS A 94 -11.061 1.484 0.473 1.00 0.00 H new ATOM 0 HA HIS A 94 -11.711 -0.555 -1.376 1.00 0.00 H new ATOM 0 HB2 HIS A 94 -9.205 0.144 0.189 1.00 0.00 H new ATOM 0 HB3 HIS A 94 -9.253 -1.158 -0.982 1.00 0.00 H new ATOM 0 HD1 HIS A 94 -10.061 -0.093 -3.650 1.00 0.00 H new ATOM 0 HD2 HIS A 94 -8.562 2.401 -0.636 1.00 0.00 H new ATOM 0 HE1 HIS A 94 -9.231 2.113 -4.761 1.00 0.00 H new ATOM 1504 N GLN A 95 -11.979 -1.428 1.619 1.00 0.00 N ATOM 1505 CA GLN A 95 -12.221 -2.520 2.556 1.00 0.00 C ATOM 1506 C GLN A 95 -13.689 -2.577 2.952 1.00 0.00 C ATOM 1507 O GLN A 95 -14.260 -3.654 3.125 1.00 0.00 O ATOM 1508 CB GLN A 95 -11.349 -2.353 3.801 1.00 0.00 C ATOM 1509 CG GLN A 95 -11.517 -1.007 4.485 1.00 0.00 C ATOM 1510 CD GLN A 95 -10.558 -0.818 5.643 1.00 0.00 C ATOM 1511 OE1 GLN A 95 -9.446 -0.138 5.385 1.00 0.00 O flip ATOM 1512 NE2 GLN A 95 -10.812 -1.276 6.756 1.00 0.00 N flip ATOM 0 H GLN A 95 -12.306 -0.517 1.940 1.00 0.00 H new ATOM 0 HA GLN A 95 -11.960 -3.456 2.063 1.00 0.00 H new ATOM 0 HB2 GLN A 95 -11.589 -3.144 4.511 1.00 0.00 H new ATOM 0 HB3 GLN A 95 -10.303 -2.481 3.522 1.00 0.00 H new ATOM 0 HG2 GLN A 95 -11.362 -0.211 3.756 1.00 0.00 H new ATOM 0 HG3 GLN A 95 -12.541 -0.913 4.847 1.00 0.00 H new ATOM 0 HE21 GLN A 95 -11.678 -1.792 6.910 1.00 0.00 H new ATOM 0 HE22 GLN A 95 -10.156 -1.140 7.525 1.00 0.00 H new ATOM 1521 N TYR A 96 -14.291 -1.406 3.096 1.00 0.00 N ATOM 1522 CA TYR A 96 -15.692 -1.303 3.474 1.00 0.00 C ATOM 1523 C TYR A 96 -16.597 -1.414 2.252 1.00 0.00 C ATOM 1524 O TYR A 96 -17.814 -1.547 2.378 1.00 0.00 O ATOM 1525 CB TYR A 96 -15.952 0.019 4.199 1.00 0.00 C ATOM 1526 CG TYR A 96 -17.416 0.381 4.296 1.00 0.00 C ATOM 1527 CD1 TYR A 96 -18.184 -0.036 5.377 1.00 0.00 C ATOM 1528 CD2 TYR A 96 -18.032 1.139 3.308 1.00 0.00 C ATOM 1529 CE1 TYR A 96 -19.523 0.293 5.469 1.00 0.00 C ATOM 1530 CE2 TYR A 96 -19.370 1.474 3.394 1.00 0.00 C ATOM 1531 CZ TYR A 96 -20.111 1.047 4.475 1.00 0.00 C ATOM 1532 OH TYR A 96 -21.443 1.376 4.564 1.00 0.00 O ATOM 0 H TYR A 96 -13.827 -0.508 2.956 1.00 0.00 H new ATOM 0 HA TYR A 96 -15.921 -2.129 4.147 1.00 0.00 H new ATOM 0 HB2 TYR A 96 -15.534 -0.040 5.204 1.00 0.00 H new ATOM 0 HB3 TYR A 96 -15.423 0.818 3.680 1.00 0.00 H new ATOM 0 HD1 TYR A 96 -17.727 -0.626 6.157 1.00 0.00 H new ATOM 0 HD2 TYR A 96 -17.455 1.472 2.458 1.00 0.00 H new ATOM 0 HE1 TYR A 96 -20.106 -0.039 6.315 1.00 0.00 H new ATOM 0 HE2 TYR A 96 -19.832 2.067 2.619 1.00 0.00 H new ATOM 0 HH TYR A 96 -21.701 1.911 3.784 1.00 0.00 H new ATOM 1542 N ASN A 97 -15.994 -1.358 1.068 1.00 0.00 N ATOM 1543 CA ASN A 97 -16.742 -1.451 -0.176 1.00 0.00 C ATOM 1544 C ASN A 97 -16.081 -2.433 -1.136 1.00 0.00 C ATOM 1545 O ASN A 97 -15.022 -2.987 -0.842 1.00 0.00 O ATOM 1546 CB ASN A 97 -16.857 -0.073 -0.832 1.00 0.00 C ATOM 1547 CG ASN A 97 -16.136 -0.007 -2.164 1.00 0.00 C ATOM 1548 OD1 ASN A 97 -14.817 0.137 -2.116 1.00 0.00 O flip ATOM 1549 ND2 ASN A 97 -16.758 -0.084 -3.224 1.00 0.00 N flip ATOM 0 H ASN A 97 -14.987 -1.248 0.947 1.00 0.00 H new ATOM 0 HA ASN A 97 -17.742 -1.818 0.057 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -17.909 0.170 -0.979 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -16.446 0.682 -0.161 1.00 0.00 H new ATOM 0 HD21 ASN A 97 -17.772 -0.194 -3.213 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -16.259 -0.038 -4.113 1.00 0.00 H new ATOM 1556 N GLY A 98 -16.713 -2.645 -2.287 1.00 0.00 N ATOM 1557 CA GLY A 98 -16.172 -3.561 -3.273 1.00 0.00 C ATOM 1558 C GLY A 98 -14.699 -3.319 -3.541 1.00 0.00 C ATOM 1559 O GLY A 98 -13.839 -3.991 -2.970 1.00 0.00 O ATOM 0 H GLY A 98 -17.590 -2.198 -2.554 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -16.312 -4.586 -2.928 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -16.729 -3.459 -4.204 1.00 0.00 H new ATOM 1563 N GLY A 99 -14.408 -2.359 -4.412 1.00 0.00 N ATOM 1564 CA GLY A 99 -13.029 -2.047 -4.739 1.00 0.00 C ATOM 1565 C GLY A 99 -12.557 -2.753 -5.996 1.00 0.00 C ATOM 1566 O GLY A 99 -13.180 -2.638 -7.051 1.00 0.00 O ATOM 0 H GLY A 99 -15.102 -1.791 -4.898 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -12.925 -0.970 -4.870 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -12.388 -2.330 -3.904 1.00 0.00 H new ATOM 1570 N GLY A 100 -11.453 -3.485 -5.882 1.00 0.00 N ATOM 1571 CA GLY A 100 -10.916 -4.199 -7.024 1.00 0.00 C ATOM 1572 C GLY A 100 -9.413 -4.379 -6.942 1.00 0.00 C ATOM 1573 O GLY A 100 -8.717 -4.328 -7.957 1.00 0.00 O ATOM 0 H GLY A 100 -10.921 -3.596 -5.019 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -11.392 -5.177 -7.094 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -11.165 -3.657 -7.937 1.00 0.00 H new ATOM 1577 N LEU A 101 -8.911 -4.589 -5.730 1.00 0.00 N ATOM 1578 CA LEU A 101 -7.481 -4.777 -5.515 1.00 0.00 C ATOM 1579 C LEU A 101 -7.215 -6.000 -4.648 1.00 0.00 C ATOM 1580 O LEU A 101 -7.654 -6.067 -3.502 1.00 0.00 O ATOM 1581 CB LEU A 101 -6.879 -3.539 -4.856 1.00 0.00 C ATOM 1582 CG LEU A 101 -7.769 -2.300 -4.884 1.00 0.00 C ATOM 1583 CD1 LEU A 101 -8.232 -1.945 -3.479 1.00 0.00 C ATOM 1584 CD2 LEU A 101 -7.030 -1.133 -5.518 1.00 0.00 C ATOM 0 H LEU A 101 -9.474 -4.633 -4.881 1.00 0.00 H new ATOM 0 HA LEU A 101 -7.013 -4.933 -6.487 1.00 0.00 H new ATOM 0 HB2 LEU A 101 -6.643 -3.776 -3.819 1.00 0.00 H new ATOM 0 HB3 LEU A 101 -5.937 -3.303 -5.351 1.00 0.00 H new ATOM 0 HG LEU A 101 -8.650 -2.518 -5.488 1.00 0.00 H new ATOM 0 HD11 LEU A 101 -8.866 -1.059 -3.518 1.00 0.00 H new ATOM 0 HD12 LEU A 101 -8.798 -2.778 -3.061 1.00 0.00 H new ATOM 0 HD13 LEU A 101 -7.365 -1.744 -2.850 1.00 0.00 H new ATOM 0 HD21 LEU A 101 -7.677 -0.256 -5.531 1.00 0.00 H new ATOM 0 HD22 LEU A 101 -6.133 -0.913 -4.939 1.00 0.00 H new ATOM 0 HD23 LEU A 101 -6.749 -1.392 -6.539 1.00 0.00 H new ATOM 1596 N VAL A 102 -6.493 -6.962 -5.203 1.00 0.00 N ATOM 1597 CA VAL A 102 -6.170 -8.184 -4.476 1.00 0.00 C ATOM 1598 C VAL A 102 -7.179 -8.436 -3.362 1.00 0.00 C ATOM 1599 O VAL A 102 -6.816 -8.857 -2.263 1.00 0.00 O ATOM 1600 CB VAL A 102 -4.756 -8.120 -3.867 1.00 0.00 C ATOM 1601 CG1 VAL A 102 -4.805 -7.557 -2.456 1.00 0.00 C ATOM 1602 CG2 VAL A 102 -4.107 -9.496 -3.878 1.00 0.00 C ATOM 0 H VAL A 102 -6.120 -6.922 -6.151 1.00 0.00 H new ATOM 0 HA VAL A 102 -6.209 -9.002 -5.195 1.00 0.00 H new ATOM 0 HB VAL A 102 -4.149 -7.452 -4.477 1.00 0.00 H new ATOM 0 HG11 VAL A 102 -3.797 -7.520 -2.044 1.00 0.00 H new ATOM 0 HG12 VAL A 102 -5.224 -6.551 -2.480 1.00 0.00 H new ATOM 0 HG13 VAL A 102 -5.429 -8.195 -1.831 1.00 0.00 H new ATOM 0 HG21 VAL A 102 -3.109 -9.431 -3.444 1.00 0.00 H new ATOM 0 HG22 VAL A 102 -4.713 -10.189 -3.293 1.00 0.00 H new ATOM 0 HG23 VAL A 102 -4.034 -9.856 -4.904 1.00 0.00 H new ATOM 1612 N THR A 103 -8.449 -8.171 -3.654 1.00 0.00 N ATOM 1613 CA THR A 103 -9.522 -8.364 -2.684 1.00 0.00 C ATOM 1614 C THR A 103 -9.722 -7.108 -1.841 1.00 0.00 C ATOM 1615 O THR A 103 -10.018 -7.189 -0.649 1.00 0.00 O ATOM 1616 CB THR A 103 -9.224 -9.562 -1.783 1.00 0.00 C ATOM 1617 OG1 THR A 103 -8.301 -9.211 -0.766 1.00 0.00 O ATOM 1618 CG2 THR A 103 -8.658 -10.747 -2.533 1.00 0.00 C ATOM 0 H THR A 103 -8.761 -7.820 -4.559 1.00 0.00 H new ATOM 0 HA THR A 103 -10.442 -8.562 -3.234 1.00 0.00 H new ATOM 0 HB THR A 103 -10.185 -9.849 -1.357 1.00 0.00 H new ATOM 0 HG1 THR A 103 -7.899 -10.024 -0.394 1.00 0.00 H new ATOM 0 HG21 THR A 103 -8.469 -11.563 -1.835 1.00 0.00 H new ATOM 0 HG22 THR A 103 -9.372 -11.074 -3.289 1.00 0.00 H new ATOM 0 HG23 THR A 103 -7.724 -10.459 -3.016 1.00 0.00 H new ATOM 1626 N ARG A 104 -9.562 -5.952 -2.474 1.00 0.00 N ATOM 1627 CA ARG A 104 -9.729 -4.672 -1.795 1.00 0.00 C ATOM 1628 C ARG A 104 -9.033 -4.670 -0.435 1.00 0.00 C ATOM 1629 O ARG A 104 -8.605 -5.714 0.057 1.00 0.00 O ATOM 1630 CB ARG A 104 -11.217 -4.363 -1.625 1.00 0.00 C ATOM 1631 CG ARG A 104 -11.811 -4.918 -0.341 1.00 0.00 C ATOM 1632 CD ARG A 104 -13.206 -4.370 -0.090 1.00 0.00 C ATOM 1633 NE ARG A 104 -13.860 -5.030 1.036 1.00 0.00 N ATOM 1634 CZ ARG A 104 -15.155 -5.326 1.065 1.00 0.00 C ATOM 1635 NH1 ARG A 104 -15.929 -5.022 0.032 1.00 0.00 N ATOM 1636 NH2 ARG A 104 -15.677 -5.927 2.125 1.00 0.00 N ATOM 0 H ARG A 104 -9.316 -5.874 -3.461 1.00 0.00 H new ATOM 0 HA ARG A 104 -9.267 -3.899 -2.409 1.00 0.00 H new ATOM 0 HB2 ARG A 104 -11.360 -3.283 -1.644 1.00 0.00 H new ATOM 0 HB3 ARG A 104 -11.764 -4.772 -2.475 1.00 0.00 H new ATOM 0 HG2 ARG A 104 -11.851 -6.006 -0.398 1.00 0.00 H new ATOM 0 HG3 ARG A 104 -11.164 -4.666 0.499 1.00 0.00 H new ATOM 0 HD2 ARG A 104 -13.145 -3.299 0.103 1.00 0.00 H new ATOM 0 HD3 ARG A 104 -13.812 -4.498 -0.987 1.00 0.00 H new ATOM 0 HE ARG A 104 -13.291 -5.278 1.846 1.00 0.00 H new ATOM 0 HH11 ARG A 104 -15.530 -4.561 -0.786 1.00 0.00 H new ATOM 0 HH12 ARG A 104 -16.923 -5.250 0.055 1.00 0.00 H new ATOM 0 HH21 ARG A 104 -15.084 -6.163 2.921 1.00 0.00 H new ATOM 0 HH22 ARG A 104 -16.671 -6.153 2.145 1.00 0.00 H new ATOM 1650 N LEU A 105 -8.925 -3.487 0.168 1.00 0.00 N ATOM 1651 CA LEU A 105 -8.285 -3.347 1.473 1.00 0.00 C ATOM 1652 C LEU A 105 -8.984 -4.229 2.502 1.00 0.00 C ATOM 1653 O LEU A 105 -10.206 -4.178 2.647 1.00 0.00 O ATOM 1654 CB LEU A 105 -8.319 -1.885 1.934 1.00 0.00 C ATOM 1655 CG LEU A 105 -7.287 -0.959 1.281 1.00 0.00 C ATOM 1656 CD1 LEU A 105 -6.021 -0.871 2.125 1.00 0.00 C ATOM 1657 CD2 LEU A 105 -6.956 -1.438 -0.123 1.00 0.00 C ATOM 0 H LEU A 105 -9.272 -2.613 -0.227 1.00 0.00 H new ATOM 0 HA LEU A 105 -7.246 -3.663 1.381 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -9.314 -1.485 1.739 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -8.171 -1.860 3.014 1.00 0.00 H new ATOM 0 HG LEU A 105 -7.721 0.039 1.216 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -5.305 -0.208 1.639 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -6.268 -0.478 3.111 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -5.583 -1.864 2.229 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -6.222 -0.769 -0.572 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -6.547 -2.447 -0.076 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -7.862 -1.442 -0.729 1.00 0.00 H new ATOM 1669 N ARG A 106 -8.209 -5.045 3.208 1.00 0.00 N ATOM 1670 CA ARG A 106 -8.767 -5.938 4.213 1.00 0.00 C ATOM 1671 C ARG A 106 -8.136 -5.711 5.582 1.00 0.00 C ATOM 1672 O ARG A 106 -8.826 -5.376 6.546 1.00 0.00 O ATOM 1673 CB ARG A 106 -8.576 -7.395 3.790 1.00 0.00 C ATOM 1674 CG ARG A 106 -9.634 -8.334 4.345 1.00 0.00 C ATOM 1675 CD ARG A 106 -9.626 -8.345 5.865 1.00 0.00 C ATOM 1676 NE ARG A 106 -10.906 -7.916 6.423 1.00 0.00 N ATOM 1677 CZ ARG A 106 -11.966 -8.710 6.530 1.00 0.00 C ATOM 1678 NH1 ARG A 106 -11.897 -9.970 6.122 1.00 0.00 N ATOM 1679 NH2 ARG A 106 -13.095 -8.246 7.047 1.00 0.00 N ATOM 0 H ARG A 106 -7.196 -5.106 3.103 1.00 0.00 H new ATOM 0 HA ARG A 106 -9.832 -5.718 4.293 1.00 0.00 H new ATOM 0 HB2 ARG A 106 -8.586 -7.453 2.702 1.00 0.00 H new ATOM 0 HB3 ARG A 106 -7.593 -7.734 4.118 1.00 0.00 H new ATOM 0 HG2 ARG A 106 -10.617 -8.028 3.987 1.00 0.00 H new ATOM 0 HG3 ARG A 106 -9.459 -9.343 3.972 1.00 0.00 H new ATOM 0 HD2 ARG A 106 -9.395 -9.350 6.219 1.00 0.00 H new ATOM 0 HD3 ARG A 106 -8.834 -7.689 6.228 1.00 0.00 H new ATOM 0 HE ARG A 106 -10.991 -6.953 6.749 1.00 0.00 H new ATOM 0 HH11 ARG A 106 -11.029 -10.331 5.725 1.00 0.00 H new ATOM 0 HH12 ARG A 106 -12.712 -10.578 6.205 1.00 0.00 H new ATOM 0 HH21 ARG A 106 -13.151 -7.278 7.363 1.00 0.00 H new ATOM 0 HH22 ARG A 106 -13.908 -8.857 7.128 1.00 0.00 H new ATOM 1693 N TYR A 107 -6.826 -5.913 5.667 1.00 0.00 N ATOM 1694 CA TYR A 107 -6.108 -5.748 6.926 1.00 0.00 C ATOM 1695 C TYR A 107 -4.935 -4.786 6.776 1.00 0.00 C ATOM 1696 O TYR A 107 -4.154 -4.888 5.834 1.00 0.00 O ATOM 1697 CB TYR A 107 -5.595 -7.104 7.412 1.00 0.00 C ATOM 1698 CG TYR A 107 -5.026 -7.071 8.814 1.00 0.00 C ATOM 1699 CD1 TYR A 107 -3.709 -6.696 9.040 1.00 0.00 C ATOM 1700 CD2 TYR A 107 -5.808 -7.416 9.909 1.00 0.00 C ATOM 1701 CE1 TYR A 107 -3.186 -6.665 10.318 1.00 0.00 C ATOM 1702 CE2 TYR A 107 -5.293 -7.387 11.191 1.00 0.00 C ATOM 1703 CZ TYR A 107 -3.981 -7.012 11.391 1.00 0.00 C ATOM 1704 OH TYR A 107 -3.463 -6.981 12.665 1.00 0.00 O ATOM 0 H TYR A 107 -6.240 -6.191 4.880 1.00 0.00 H new ATOM 0 HA TYR A 107 -6.802 -5.330 7.655 1.00 0.00 H new ATOM 0 HB2 TYR A 107 -6.411 -7.825 7.377 1.00 0.00 H new ATOM 0 HB3 TYR A 107 -4.826 -7.459 6.726 1.00 0.00 H new ATOM 0 HD1 TYR A 107 -3.083 -6.424 8.203 1.00 0.00 H new ATOM 0 HD2 TYR A 107 -6.835 -7.712 9.756 1.00 0.00 H new ATOM 0 HE1 TYR A 107 -2.159 -6.370 10.477 1.00 0.00 H new ATOM 0 HE2 TYR A 107 -5.915 -7.657 12.032 1.00 0.00 H new ATOM 0 HH TYR A 107 -4.153 -7.252 13.306 1.00 0.00 H new ATOM 1714 N PRO A 108 -4.796 -3.839 7.716 1.00 0.00 N ATOM 1715 CA PRO A 108 -3.720 -2.862 7.706 1.00 0.00 C ATOM 1716 C PRO A 108 -2.483 -3.366 8.442 1.00 0.00 C ATOM 1717 O PRO A 108 -2.549 -3.700 9.625 1.00 0.00 O ATOM 1718 CB PRO A 108 -4.329 -1.662 8.439 1.00 0.00 C ATOM 1719 CG PRO A 108 -5.578 -2.156 9.111 1.00 0.00 C ATOM 1720 CD PRO A 108 -5.669 -3.642 8.869 1.00 0.00 C ATOM 0 HA PRO A 108 -3.379 -2.633 6.696 1.00 0.00 H new ATOM 0 HB2 PRO A 108 -3.629 -1.260 9.171 1.00 0.00 H new ATOM 0 HB3 PRO A 108 -4.558 -0.857 7.741 1.00 0.00 H new ATOM 0 HG2 PRO A 108 -5.548 -1.943 10.180 1.00 0.00 H new ATOM 0 HG3 PRO A 108 -6.455 -1.648 8.710 1.00 0.00 H new ATOM 0 HD2 PRO A 108 -5.331 -4.213 9.734 1.00 0.00 H new ATOM 0 HD3 PRO A 108 -6.692 -3.955 8.659 1.00 0.00 H new ATOM 1728 N VAL A 109 -1.358 -3.424 7.737 1.00 0.00 N ATOM 1729 CA VAL A 109 -0.116 -3.893 8.330 1.00 0.00 C ATOM 1730 C VAL A 109 1.011 -2.880 8.152 1.00 0.00 C ATOM 1731 O VAL A 109 2.137 -3.247 7.818 1.00 0.00 O ATOM 1732 CB VAL A 109 0.321 -5.239 7.726 1.00 0.00 C ATOM 1733 CG1 VAL A 109 1.588 -5.743 8.399 1.00 0.00 C ATOM 1734 CG2 VAL A 109 -0.797 -6.265 7.842 1.00 0.00 C ATOM 0 H VAL A 109 -1.283 -3.152 6.757 1.00 0.00 H new ATOM 0 HA VAL A 109 -0.312 -4.023 9.394 1.00 0.00 H new ATOM 0 HB VAL A 109 0.536 -5.087 6.668 1.00 0.00 H new ATOM 0 HG11 VAL A 109 1.880 -6.696 7.957 1.00 0.00 H new ATOM 0 HG12 VAL A 109 2.389 -5.017 8.258 1.00 0.00 H new ATOM 0 HG13 VAL A 109 1.405 -5.878 9.465 1.00 0.00 H new ATOM 0 HG21 VAL A 109 -0.470 -7.210 7.410 1.00 0.00 H new ATOM 0 HG22 VAL A 109 -1.047 -6.414 8.893 1.00 0.00 H new ATOM 0 HG23 VAL A 109 -1.677 -5.907 7.307 1.00 0.00 H new ATOM 1744 N CYS A 110 0.705 -1.606 8.378 1.00 0.00 N ATOM 1745 CA CYS A 110 1.699 -0.549 8.245 1.00 0.00 C ATOM 1746 C CYS A 110 3.062 -1.022 8.740 1.00 0.00 C ATOM 1747 O CYS A 110 3.444 -0.763 9.880 1.00 0.00 O ATOM 1748 CB CYS A 110 1.265 0.692 9.028 1.00 0.00 C ATOM 1749 SG CYS A 110 0.455 0.325 10.603 1.00 0.00 S ATOM 0 H CYS A 110 -0.222 -1.282 8.654 1.00 0.00 H new ATOM 0 HA CYS A 110 1.781 -0.293 7.189 1.00 0.00 H new ATOM 0 HB2 CYS A 110 2.140 1.313 9.218 1.00 0.00 H new ATOM 0 HB3 CYS A 110 0.585 1.279 8.410 1.00 0.00 H new ATOM 0 HG CYS A 110 0.241 1.432 11.249 1.00 0.00 H new ATOM 1755 N GLY A 111 3.789 -1.719 7.872 1.00 0.00 N ATOM 1756 CA GLY A 111 5.100 -2.222 8.237 1.00 0.00 C ATOM 1757 C GLY A 111 5.651 -1.558 9.484 1.00 0.00 C ATOM 1758 O GLY A 111 6.359 -0.537 9.349 1.00 0.00 O ATOM 0 H GLY A 111 3.493 -1.944 6.922 1.00 0.00 H new ATOM 0 HA2 GLY A 111 5.040 -3.298 8.399 1.00 0.00 H new ATOM 0 HA3 GLY A 111 5.790 -2.062 7.409 1.00 0.00 H new