USER MOD reduce.3.24.130724 H: found=0, std=0, add=642, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 643 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 77 GLN : amide:sc= -0.309 K(o=-0.19,f=-1.5) USER MOD Set 1.2: A 80 LYS NZ :NH3+ -121:sc= 0.114 (180deg=0) USER MOD Set 2.1: A 21 THR OG1 : rot 76:sc= -0.537 USER MOD Set 2.2: A 70 THR OG1 : rot 170:sc= -0.844 USER MOD Set 3.1: A 59 SER OG : rot 65:sc= -1.55! USER MOD Set 3.2: A 66 SER OG : rot 142:sc= -1.59 USER MOD Set 4.1: A 56 SER OG : rot 120:sc= 0 USER MOD Set 4.2: A 68 SER OG : rot -51:sc= 1.26 USER MOD Set 5.1: A 41 GLN : amide:sc= -1.12 X(o=-1.6,f=-1.2) USER MOD Set 5.2: A 82 MET CE :methyl 132:sc= -0.476 (180deg=-0.979) USER MOD Single : A 7 SER OG : rot 22:sc= 0.214 USER MOD Single : A 8 GLN : amide:sc= 0 X(o=0,f=-0.31) USER MOD Single : A 13 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 18 THR OG1 : rot -28:sc= 0.0403 USER MOD Single : A 19 SER OG : rot -64:sc= 1.22 USER MOD Single : A 20 MET CE :methyl 165:sc= -3.23! (180deg=-4.56!) USER MOD Single : A 24 TYR OH : rot 180:sc= -0.0087 USER MOD Single : A 30 MET CE :methyl 140:sc= -0.695 (180deg=-4.3!) USER MOD Single : A 43 ASN : amide:sc= 0 K(o=0,f=-0.71) USER MOD Single : A 44 LYS NZ :NH3+ 166:sc= -0.0708 (180deg=-0.397) USER MOD Single : A 46 GLN : amide:sc= 0.226 K(o=0.23,f=-2.1!) USER MOD Single : A 47 GLN : amide:sc= 0.198 X(o=0.2,f=0) USER MOD Single : A 49 SER OG : rot -75:sc= 0.548 USER MOD Single : A 51 CYS SG : rot -4:sc= -2.79! USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 GLN : amide:sc= -0.634 X(o=-0.63,f=-0.22) USER MOD Single : A 75 SER OG : rot -92:sc= -0.864 USER MOD Single : A 78 LYS NZ :NH3+ -147:sc= 0.694 (180deg=0.145) USER MOD Single : A 81 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 31 N SER A 7 13.279 3.743 0.916 1.00 0.00 N ATOM 32 CA SER A 7 12.884 3.137 -0.348 1.00 0.00 C ATOM 33 C SER A 7 13.165 1.634 -0.327 1.00 0.00 C ATOM 34 O SER A 7 13.169 1.024 0.738 1.00 0.00 O ATOM 35 CB SER A 7 13.604 3.826 -1.513 1.00 0.00 C ATOM 36 OG SER A 7 13.465 5.236 -1.417 1.00 0.00 O ATOM 0 HA SER A 7 11.812 3.273 -0.489 1.00 0.00 H new ATOM 0 HB2 SER A 7 14.660 3.557 -1.506 1.00 0.00 H new ATOM 0 HB3 SER A 7 13.193 3.477 -2.460 1.00 0.00 H new ATOM 0 HG SER A 7 13.265 5.483 -0.490 1.00 0.00 H new ATOM 42 N GLN A 8 13.343 1.051 -1.501 1.00 0.00 N ATOM 43 CA GLN A 8 13.656 -0.373 -1.640 1.00 0.00 C ATOM 44 C GLN A 8 14.852 -0.796 -0.785 1.00 0.00 C ATOM 45 O GLN A 8 15.980 -0.357 -1.012 1.00 0.00 O ATOM 46 CB GLN A 8 13.952 -0.696 -3.105 1.00 0.00 C ATOM 47 CG GLN A 8 12.818 -0.333 -4.044 1.00 0.00 C ATOM 48 CD GLN A 8 13.185 -0.490 -5.505 1.00 0.00 C ATOM 49 OE1 GLN A 8 13.996 -1.341 -5.874 1.00 0.00 O ATOM 50 NE2 GLN A 8 12.601 0.347 -6.345 1.00 0.00 N ATOM 0 H GLN A 8 13.276 1.547 -2.390 1.00 0.00 H new ATOM 0 HA GLN A 8 12.785 -0.927 -1.292 1.00 0.00 H new ATOM 0 HB2 GLN A 8 14.852 -0.163 -3.412 1.00 0.00 H new ATOM 0 HB3 GLN A 8 14.164 -1.761 -3.199 1.00 0.00 H new ATOM 0 HG2 GLN A 8 11.955 -0.961 -3.822 1.00 0.00 H new ATOM 0 HG3 GLN A 8 12.517 0.698 -3.860 1.00 0.00 H new ATOM 0 HE21 GLN A 8 11.935 1.037 -5.997 1.00 0.00 H new ATOM 0 HE22 GLN A 8 12.816 0.303 -7.341 1.00 0.00 H new ATOM 59 N LEU A 9 14.588 -1.635 0.204 1.00 0.00 N ATOM 60 CA LEU A 9 15.642 -2.281 0.972 1.00 0.00 C ATOM 61 C LEU A 9 15.710 -3.762 0.627 1.00 0.00 C ATOM 62 O LEU A 9 14.705 -4.470 0.721 1.00 0.00 O ATOM 63 CB LEU A 9 15.411 -2.126 2.480 1.00 0.00 C ATOM 64 CG LEU A 9 16.121 -0.938 3.145 1.00 0.00 C ATOM 65 CD1 LEU A 9 17.618 -0.985 2.872 1.00 0.00 C ATOM 66 CD2 LEU A 9 15.533 0.385 2.677 1.00 0.00 C ATOM 0 H LEU A 9 13.644 -1.887 0.496 1.00 0.00 H new ATOM 0 HA LEU A 9 16.583 -1.796 0.712 1.00 0.00 H new ATOM 0 HB2 LEU A 9 14.340 -2.030 2.657 1.00 0.00 H new ATOM 0 HB3 LEU A 9 15.735 -3.042 2.974 1.00 0.00 H new ATOM 0 HG LEU A 9 15.964 -1.014 4.221 1.00 0.00 H new ATOM 0 HD11 LEU A 9 18.102 -0.135 3.352 1.00 0.00 H new ATOM 0 HD12 LEU A 9 18.032 -1.911 3.271 1.00 0.00 H new ATOM 0 HD13 LEU A 9 17.793 -0.943 1.797 1.00 0.00 H new ATOM 0 HD21 LEU A 9 16.055 1.208 3.165 1.00 0.00 H new ATOM 0 HD22 LEU A 9 15.647 0.472 1.596 1.00 0.00 H new ATOM 0 HD23 LEU A 9 14.475 0.424 2.934 1.00 0.00 H new ATOM 78 N GLY A 10 16.885 -4.229 0.233 1.00 0.00 N ATOM 79 CA GLY A 10 17.047 -5.630 -0.094 1.00 0.00 C ATOM 80 C GLY A 10 18.260 -6.248 0.576 1.00 0.00 C ATOM 81 O GLY A 10 19.277 -6.477 -0.077 1.00 0.00 O ATOM 0 H GLY A 10 17.728 -3.664 0.134 1.00 0.00 H new ATOM 0 HA2 GLY A 10 16.153 -6.176 0.207 1.00 0.00 H new ATOM 0 HA3 GLY A 10 17.138 -5.739 -1.175 1.00 0.00 H new ATOM 85 N PRO A 11 18.185 -6.529 1.890 1.00 0.00 N ATOM 86 CA PRO A 11 19.289 -7.143 2.632 1.00 0.00 C ATOM 87 C PRO A 11 19.483 -8.604 2.241 1.00 0.00 C ATOM 88 O PRO A 11 20.514 -8.983 1.685 1.00 0.00 O ATOM 89 CB PRO A 11 18.857 -7.036 4.105 1.00 0.00 C ATOM 90 CG PRO A 11 17.661 -6.142 4.114 1.00 0.00 C ATOM 91 CD PRO A 11 17.031 -6.268 2.757 1.00 0.00 C ATOM 0 HA PRO A 11 20.240 -6.651 2.428 1.00 0.00 H new ATOM 0 HB2 PRO A 11 18.615 -8.017 4.514 1.00 0.00 H new ATOM 0 HB3 PRO A 11 19.658 -6.624 4.719 1.00 0.00 H new ATOM 0 HG2 PRO A 11 16.961 -6.436 4.896 1.00 0.00 H new ATOM 0 HG3 PRO A 11 17.948 -5.110 4.315 1.00 0.00 H new ATOM 0 HD2 PRO A 11 16.305 -7.081 2.721 1.00 0.00 H new ATOM 0 HD3 PRO A 11 16.505 -5.358 2.468 1.00 0.00 H new ATOM 99 N ILE A 12 18.475 -9.415 2.527 1.00 0.00 N ATOM 100 CA ILE A 12 18.490 -10.824 2.170 1.00 0.00 C ATOM 101 C ILE A 12 17.577 -11.065 0.976 1.00 0.00 C ATOM 102 O ILE A 12 16.522 -10.443 0.868 1.00 0.00 O ATOM 103 CB ILE A 12 18.058 -11.716 3.355 1.00 0.00 C ATOM 104 CG1 ILE A 12 16.777 -11.173 3.997 1.00 0.00 C ATOM 105 CG2 ILE A 12 19.180 -11.813 4.379 1.00 0.00 C ATOM 106 CD1 ILE A 12 16.263 -12.021 5.140 1.00 0.00 C ATOM 0 H ILE A 12 17.628 -9.116 3.011 1.00 0.00 H new ATOM 0 HA ILE A 12 19.513 -11.093 1.907 1.00 0.00 H new ATOM 0 HB ILE A 12 17.849 -12.718 2.980 1.00 0.00 H new ATOM 0 HG12 ILE A 12 16.964 -10.163 4.361 1.00 0.00 H new ATOM 0 HG13 ILE A 12 16.002 -11.099 3.234 1.00 0.00 H new ATOM 0 HG21 ILE A 12 18.862 -12.444 5.209 1.00 0.00 H new ATOM 0 HG22 ILE A 12 20.063 -12.247 3.911 1.00 0.00 H new ATOM 0 HG23 ILE A 12 19.419 -10.817 4.752 1.00 0.00 H new ATOM 0 HD11 ILE A 12 15.355 -11.575 5.544 1.00 0.00 H new ATOM 0 HD12 ILE A 12 16.044 -13.025 4.778 1.00 0.00 H new ATOM 0 HD13 ILE A 12 17.020 -12.075 5.922 1.00 0.00 H new ATOM 118 N HIS A 13 17.991 -11.949 0.069 1.00 0.00 N ATOM 119 CA HIS A 13 17.252 -12.175 -1.182 1.00 0.00 C ATOM 120 C HIS A 13 16.252 -13.367 -1.217 1.00 0.00 C ATOM 121 O HIS A 13 16.106 -13.976 -2.278 1.00 0.00 O ATOM 122 CB HIS A 13 18.227 -12.304 -2.345 1.00 0.00 C ATOM 123 CG HIS A 13 18.838 -10.998 -2.754 1.00 0.00 C ATOM 124 ND1 HIS A 13 20.088 -10.587 -2.347 1.00 0.00 N ATOM 125 CD2 HIS A 13 18.358 -10.003 -3.536 1.00 0.00 C ATOM 126 CE1 HIS A 13 20.348 -9.401 -2.859 1.00 0.00 C ATOM 127 NE2 HIS A 13 19.314 -9.022 -3.586 1.00 0.00 N ATOM 0 H HIS A 13 18.830 -12.520 0.172 1.00 0.00 H new ATOM 0 HA HIS A 13 16.618 -11.292 -1.264 1.00 0.00 H new ATOM 0 HB2 HIS A 13 19.021 -12.998 -2.069 1.00 0.00 H new ATOM 0 HB3 HIS A 13 17.707 -12.737 -3.199 1.00 0.00 H new ATOM 0 HD2 HIS A 13 17.398 -9.985 -4.030 1.00 0.00 H new ATOM 0 HE1 HIS A 13 21.255 -8.834 -2.709 1.00 0.00 H new ATOM 0 HE2 HIS A 13 19.239 -8.144 -4.100 1.00 0.00 H new ATOM 136 N PRO A 14 15.583 -13.774 -0.112 1.00 0.00 N ATOM 137 CA PRO A 14 14.366 -14.620 -0.184 1.00 0.00 C ATOM 138 C PRO A 14 13.233 -13.973 -1.023 1.00 0.00 C ATOM 139 O PRO A 14 13.490 -13.072 -1.824 1.00 0.00 O ATOM 140 CB PRO A 14 13.954 -14.731 1.300 1.00 0.00 C ATOM 141 CG PRO A 14 14.654 -13.611 1.958 1.00 0.00 C ATOM 142 CD PRO A 14 15.970 -13.587 1.284 1.00 0.00 C ATOM 0 HA PRO A 14 14.551 -15.576 -0.674 1.00 0.00 H new ATOM 0 HB2 PRO A 14 12.874 -14.650 1.420 1.00 0.00 H new ATOM 0 HB3 PRO A 14 14.251 -15.690 1.725 1.00 0.00 H new ATOM 0 HG2 PRO A 14 14.119 -12.670 1.828 1.00 0.00 H new ATOM 0 HG3 PRO A 14 14.755 -13.775 3.031 1.00 0.00 H new ATOM 0 HD2 PRO A 14 16.495 -12.645 1.442 1.00 0.00 H new ATOM 0 HD3 PRO A 14 16.627 -14.381 1.638 1.00 0.00 H new ATOM 150 N PRO A 15 11.971 -14.453 -0.915 1.00 0.00 N ATOM 151 CA PRO A 15 10.808 -13.746 -1.488 1.00 0.00 C ATOM 152 C PRO A 15 10.687 -12.305 -0.963 1.00 0.00 C ATOM 153 O PRO A 15 11.302 -11.949 0.045 1.00 0.00 O ATOM 154 CB PRO A 15 9.605 -14.589 -1.028 1.00 0.00 C ATOM 155 CG PRO A 15 10.130 -15.502 0.027 1.00 0.00 C ATOM 156 CD PRO A 15 11.571 -15.732 -0.309 1.00 0.00 C ATOM 0 HA PRO A 15 10.885 -13.651 -2.571 1.00 0.00 H new ATOM 0 HB2 PRO A 15 8.810 -13.955 -0.636 1.00 0.00 H new ATOM 0 HB3 PRO A 15 9.182 -15.154 -1.859 1.00 0.00 H new ATOM 0 HG2 PRO A 15 10.026 -15.056 1.016 1.00 0.00 H new ATOM 0 HG3 PRO A 15 9.577 -16.441 0.041 1.00 0.00 H new ATOM 0 HD2 PRO A 15 12.162 -15.962 0.578 1.00 0.00 H new ATOM 0 HD3 PRO A 15 11.697 -16.565 -1.001 1.00 0.00 H new ATOM 164 N PRO A 16 9.873 -11.459 -1.639 1.00 0.00 N ATOM 165 CA PRO A 16 9.725 -10.023 -1.314 1.00 0.00 C ATOM 166 C PRO A 16 9.044 -9.746 0.026 1.00 0.00 C ATOM 167 O PRO A 16 8.342 -8.746 0.184 1.00 0.00 O ATOM 168 CB PRO A 16 8.861 -9.487 -2.452 1.00 0.00 C ATOM 169 CG PRO A 16 8.114 -10.667 -2.948 1.00 0.00 C ATOM 170 CD PRO A 16 9.042 -11.834 -2.795 1.00 0.00 C ATOM 0 HA PRO A 16 10.704 -9.553 -1.219 1.00 0.00 H new ATOM 0 HB2 PRO A 16 8.183 -8.709 -2.101 1.00 0.00 H new ATOM 0 HB3 PRO A 16 9.473 -9.046 -3.239 1.00 0.00 H new ATOM 0 HG2 PRO A 16 7.198 -10.818 -2.376 1.00 0.00 H new ATOM 0 HG3 PRO A 16 7.821 -10.535 -3.990 1.00 0.00 H new ATOM 0 HD2 PRO A 16 8.497 -12.760 -2.614 1.00 0.00 H new ATOM 0 HD3 PRO A 16 9.645 -11.988 -3.690 1.00 0.00 H new ATOM 178 N ARG A 17 9.276 -10.615 0.993 1.00 0.00 N ATOM 179 CA ARG A 17 8.773 -10.424 2.340 1.00 0.00 C ATOM 180 C ARG A 17 9.823 -9.710 3.175 1.00 0.00 C ATOM 181 O ARG A 17 9.738 -9.672 4.402 1.00 0.00 O ATOM 182 CB ARG A 17 8.403 -11.767 2.969 1.00 0.00 C ATOM 183 CG ARG A 17 9.511 -12.807 2.889 1.00 0.00 C ATOM 184 CD ARG A 17 9.049 -14.162 3.401 1.00 0.00 C ATOM 185 NE ARG A 17 7.914 -14.680 2.642 1.00 0.00 N ATOM 186 CZ ARG A 17 7.441 -15.915 2.758 1.00 0.00 C ATOM 187 NH1 ARG A 17 8.055 -16.799 3.538 1.00 0.00 N ATOM 188 NH2 ARG A 17 6.371 -16.273 2.071 1.00 0.00 N ATOM 0 H ARG A 17 9.817 -11.471 0.867 1.00 0.00 H new ATOM 0 HA ARG A 17 7.872 -9.812 2.303 1.00 0.00 H new ATOM 0 HB2 ARG A 17 8.141 -11.608 4.015 1.00 0.00 H new ATOM 0 HB3 ARG A 17 7.514 -12.157 2.474 1.00 0.00 H new ATOM 0 HG2 ARG A 17 9.846 -12.903 1.856 1.00 0.00 H new ATOM 0 HG3 ARG A 17 10.368 -12.471 3.472 1.00 0.00 H new ATOM 0 HD2 ARG A 17 9.875 -14.871 3.345 1.00 0.00 H new ATOM 0 HD3 ARG A 17 8.773 -14.077 4.452 1.00 0.00 H new ATOM 0 HE ARG A 17 7.456 -14.053 1.981 1.00 0.00 H new ATOM 0 HH11 ARG A 17 8.894 -16.530 4.051 1.00 0.00 H new ATOM 0 HH12 ARG A 17 7.687 -17.746 3.623 1.00 0.00 H new ATOM 0 HH21 ARG A 17 5.912 -15.602 1.455 1.00 0.00 H new ATOM 0 HH22 ARG A 17 6.004 -17.221 2.157 1.00 0.00 H new ATOM 202 N THR A 18 10.810 -9.146 2.480 1.00 0.00 N ATOM 203 CA THR A 18 11.875 -8.370 3.104 1.00 0.00 C ATOM 204 C THR A 18 12.968 -8.032 2.083 1.00 0.00 C ATOM 205 O THR A 18 13.766 -7.121 2.294 1.00 0.00 O ATOM 206 CB THR A 18 12.503 -9.120 4.306 1.00 0.00 C ATOM 207 OG1 THR A 18 13.486 -8.301 4.953 1.00 0.00 O ATOM 208 CG2 THR A 18 13.136 -10.436 3.869 1.00 0.00 C ATOM 0 H THR A 18 10.892 -9.216 1.466 1.00 0.00 H new ATOM 0 HA THR A 18 11.426 -7.448 3.473 1.00 0.00 H new ATOM 0 HB THR A 18 11.701 -9.341 5.010 1.00 0.00 H new ATOM 0 HG1 THR A 18 13.873 -7.679 4.302 1.00 0.00 H new ATOM 0 HG21 THR A 18 13.567 -10.938 4.735 1.00 0.00 H new ATOM 0 HG22 THR A 18 12.375 -11.075 3.422 1.00 0.00 H new ATOM 0 HG23 THR A 18 13.919 -10.238 3.137 1.00 0.00 H new ATOM 216 N SER A 19 12.968 -8.746 0.956 1.00 0.00 N ATOM 217 CA SER A 19 14.022 -8.609 -0.049 1.00 0.00 C ATOM 218 C SER A 19 13.843 -7.368 -0.910 1.00 0.00 C ATOM 219 O SER A 19 14.731 -6.998 -1.677 1.00 0.00 O ATOM 220 CB SER A 19 14.045 -9.857 -0.916 1.00 0.00 C ATOM 221 OG SER A 19 14.122 -11.004 -0.097 1.00 0.00 O ATOM 0 H SER A 19 12.247 -9.427 0.716 1.00 0.00 H new ATOM 0 HA SER A 19 14.973 -8.495 0.471 1.00 0.00 H new ATOM 0 HB2 SER A 19 13.148 -9.899 -1.534 1.00 0.00 H new ATOM 0 HB3 SER A 19 14.898 -9.825 -1.594 1.00 0.00 H new ATOM 0 HG SER A 19 14.970 -10.999 0.394 1.00 0.00 H new ATOM 227 N MET A 20 12.687 -6.750 -0.798 1.00 0.00 N ATOM 228 CA MET A 20 12.475 -5.428 -1.347 1.00 0.00 C ATOM 229 C MET A 20 11.439 -4.702 -0.512 1.00 0.00 C ATOM 230 O MET A 20 10.310 -4.462 -0.942 1.00 0.00 O ATOM 231 CB MET A 20 12.088 -5.452 -2.835 1.00 0.00 C ATOM 232 CG MET A 20 10.941 -6.379 -3.201 1.00 0.00 C ATOM 233 SD MET A 20 10.296 -6.023 -4.851 1.00 0.00 S ATOM 234 CE MET A 20 9.090 -7.327 -5.055 1.00 0.00 C ATOM 0 H MET A 20 11.873 -7.146 -0.328 1.00 0.00 H new ATOM 0 HA MET A 20 13.421 -4.888 -1.302 1.00 0.00 H new ATOM 0 HB2 MET A 20 11.824 -4.439 -3.140 1.00 0.00 H new ATOM 0 HB3 MET A 20 12.964 -5.741 -3.415 1.00 0.00 H new ATOM 0 HG2 MET A 20 11.281 -7.414 -3.159 1.00 0.00 H new ATOM 0 HG3 MET A 20 10.141 -6.276 -2.467 1.00 0.00 H new ATOM 0 HE1 MET A 20 8.434 -7.088 -5.892 1.00 0.00 H new ATOM 0 HE2 MET A 20 9.602 -8.269 -5.253 1.00 0.00 H new ATOM 0 HE3 MET A 20 8.498 -7.421 -4.145 1.00 0.00 H new ATOM 244 N THR A 21 11.840 -4.363 0.700 1.00 0.00 N ATOM 245 CA THR A 21 10.988 -3.621 1.597 1.00 0.00 C ATOM 246 C THR A 21 11.019 -2.164 1.184 1.00 0.00 C ATOM 247 O THR A 21 12.059 -1.520 1.247 1.00 0.00 O ATOM 248 CB THR A 21 11.468 -3.758 3.055 1.00 0.00 C ATOM 249 OG1 THR A 21 11.525 -5.143 3.421 1.00 0.00 O ATOM 250 CG2 THR A 21 10.547 -3.009 4.008 1.00 0.00 C ATOM 0 H THR A 21 12.757 -4.594 1.083 1.00 0.00 H new ATOM 0 HA THR A 21 9.973 -4.015 1.540 1.00 0.00 H new ATOM 0 HB THR A 21 12.464 -3.321 3.129 1.00 0.00 H new ATOM 0 HG1 THR A 21 12.318 -5.555 3.018 1.00 0.00 H new ATOM 0 HG21 THR A 21 10.910 -3.123 5.029 1.00 0.00 H new ATOM 0 HG22 THR A 21 10.532 -1.952 3.744 1.00 0.00 H new ATOM 0 HG23 THR A 21 9.538 -3.415 3.934 1.00 0.00 H new ATOM 258 N GLU A 22 9.888 -1.655 0.751 1.00 0.00 N ATOM 259 CA GLU A 22 9.837 -0.325 0.185 1.00 0.00 C ATOM 260 C GLU A 22 9.461 0.678 1.253 1.00 0.00 C ATOM 261 O GLU A 22 8.401 0.565 1.861 1.00 0.00 O ATOM 262 CB GLU A 22 8.802 -0.286 -0.939 1.00 0.00 C ATOM 263 CG GLU A 22 8.782 1.011 -1.728 1.00 0.00 C ATOM 264 CD GLU A 22 9.879 1.073 -2.766 1.00 0.00 C ATOM 265 OE1 GLU A 22 9.866 0.227 -3.683 1.00 0.00 O ATOM 266 OE2 GLU A 22 10.755 1.955 -2.675 1.00 0.00 O ATOM 0 H GLU A 22 8.992 -2.141 0.780 1.00 0.00 H new ATOM 0 HA GLU A 22 10.819 -0.070 -0.214 1.00 0.00 H new ATOM 0 HB2 GLU A 22 8.996 -1.111 -1.624 1.00 0.00 H new ATOM 0 HB3 GLU A 22 7.813 -0.453 -0.512 1.00 0.00 H new ATOM 0 HG2 GLU A 22 7.815 1.119 -2.219 1.00 0.00 H new ATOM 0 HG3 GLU A 22 8.887 1.852 -1.042 1.00 0.00 H new ATOM 273 N GLU A 23 10.335 1.636 1.501 1.00 0.00 N ATOM 274 CA GLU A 23 10.020 2.721 2.413 1.00 0.00 C ATOM 275 C GLU A 23 9.736 3.973 1.595 1.00 0.00 C ATOM 276 O GLU A 23 10.653 4.639 1.115 1.00 0.00 O ATOM 277 CB GLU A 23 11.177 2.967 3.381 1.00 0.00 C ATOM 278 CG GLU A 23 10.784 3.766 4.611 1.00 0.00 C ATOM 279 CD GLU A 23 9.934 2.963 5.577 1.00 0.00 C ATOM 280 OE1 GLU A 23 10.511 2.253 6.430 1.00 0.00 O ATOM 281 OE2 GLU A 23 8.692 3.034 5.489 1.00 0.00 O ATOM 0 H GLU A 23 11.265 1.685 1.086 1.00 0.00 H new ATOM 0 HA GLU A 23 9.144 2.458 3.005 1.00 0.00 H new ATOM 0 HB2 GLU A 23 11.585 2.007 3.697 1.00 0.00 H new ATOM 0 HB3 GLU A 23 11.973 3.494 2.855 1.00 0.00 H new ATOM 0 HG2 GLU A 23 11.684 4.108 5.122 1.00 0.00 H new ATOM 0 HG3 GLU A 23 10.235 4.656 4.302 1.00 0.00 H new ATOM 288 N TYR A 24 8.467 4.299 1.456 1.00 0.00 N ATOM 289 CA TYR A 24 8.047 5.330 0.523 1.00 0.00 C ATOM 290 C TYR A 24 7.989 6.700 1.182 1.00 0.00 C ATOM 291 O TYR A 24 7.335 6.877 2.208 1.00 0.00 O ATOM 292 CB TYR A 24 6.678 4.975 -0.062 1.00 0.00 C ATOM 293 CG TYR A 24 6.659 4.937 -1.571 1.00 0.00 C ATOM 294 CD1 TYR A 24 6.514 6.100 -2.314 1.00 0.00 C ATOM 295 CD2 TYR A 24 6.793 3.735 -2.252 1.00 0.00 C ATOM 296 CE1 TYR A 24 6.499 6.065 -3.694 1.00 0.00 C ATOM 297 CE2 TYR A 24 6.780 3.691 -3.631 1.00 0.00 C ATOM 298 CZ TYR A 24 6.634 4.857 -4.348 1.00 0.00 C ATOM 299 OH TYR A 24 6.620 4.818 -5.722 1.00 0.00 O ATOM 0 H TYR A 24 7.705 3.865 1.978 1.00 0.00 H new ATOM 0 HA TYR A 24 8.788 5.377 -0.275 1.00 0.00 H new ATOM 0 HB2 TYR A 24 6.369 4.003 0.322 1.00 0.00 H new ATOM 0 HB3 TYR A 24 5.944 5.703 0.284 1.00 0.00 H new ATOM 0 HD1 TYR A 24 6.411 7.047 -1.805 1.00 0.00 H new ATOM 0 HD2 TYR A 24 6.909 2.818 -1.693 1.00 0.00 H new ATOM 0 HE1 TYR A 24 6.382 6.978 -4.259 1.00 0.00 H new ATOM 0 HE2 TYR A 24 6.884 2.747 -4.145 1.00 0.00 H new ATOM 0 HH TYR A 24 6.727 3.892 -6.024 1.00 0.00 H new ATOM 309 N ARG A 25 8.688 7.658 0.584 1.00 0.00 N ATOM 310 CA ARG A 25 8.658 9.038 1.046 1.00 0.00 C ATOM 311 C ARG A 25 7.432 9.741 0.481 1.00 0.00 C ATOM 312 O ARG A 25 7.400 10.113 -0.695 1.00 0.00 O ATOM 313 CB ARG A 25 9.927 9.787 0.623 1.00 0.00 C ATOM 314 CG ARG A 25 11.212 9.198 1.182 1.00 0.00 C ATOM 315 CD ARG A 25 12.415 10.071 0.851 1.00 0.00 C ATOM 316 NE ARG A 25 12.621 10.222 -0.591 1.00 0.00 N ATOM 317 CZ ARG A 25 13.128 11.319 -1.159 1.00 0.00 C ATOM 318 NH1 ARG A 25 13.475 12.362 -0.412 1.00 0.00 N ATOM 319 NH2 ARG A 25 13.289 11.374 -2.474 1.00 0.00 N ATOM 0 H ARG A 25 9.286 7.501 -0.227 1.00 0.00 H new ATOM 0 HA ARG A 25 8.610 9.035 2.135 1.00 0.00 H new ATOM 0 HB2 ARG A 25 9.986 9.793 -0.465 1.00 0.00 H new ATOM 0 HB3 ARG A 25 9.847 10.826 0.944 1.00 0.00 H new ATOM 0 HG2 ARG A 25 11.125 9.091 2.263 1.00 0.00 H new ATOM 0 HG3 ARG A 25 11.363 8.198 0.774 1.00 0.00 H new ATOM 0 HD2 ARG A 25 12.280 11.055 1.300 1.00 0.00 H new ATOM 0 HD3 ARG A 25 13.309 9.636 1.299 1.00 0.00 H new ATOM 0 HE ARG A 25 12.362 9.444 -1.197 1.00 0.00 H new ATOM 0 HH11 ARG A 25 13.355 12.327 0.600 1.00 0.00 H new ATOM 0 HH12 ARG A 25 13.862 13.198 -0.851 1.00 0.00 H new ATOM 0 HH21 ARG A 25 13.025 10.577 -3.054 1.00 0.00 H new ATOM 0 HH22 ARG A 25 13.676 12.213 -2.906 1.00 0.00 H new ATOM 333 N VAL A 26 6.423 9.899 1.315 1.00 0.00 N ATOM 334 CA VAL A 26 5.171 10.500 0.898 1.00 0.00 C ATOM 335 C VAL A 26 4.812 11.683 1.796 1.00 0.00 C ATOM 336 O VAL A 26 4.780 11.561 3.018 1.00 0.00 O ATOM 337 CB VAL A 26 4.029 9.450 0.887 1.00 0.00 C ATOM 338 CG1 VAL A 26 4.123 8.535 2.092 1.00 0.00 C ATOM 339 CG2 VAL A 26 2.665 10.116 0.848 1.00 0.00 C ATOM 0 H VAL A 26 6.447 9.616 2.295 1.00 0.00 H new ATOM 0 HA VAL A 26 5.297 10.871 -0.119 1.00 0.00 H new ATOM 0 HB VAL A 26 4.146 8.853 -0.018 1.00 0.00 H new ATOM 0 HG11 VAL A 26 3.311 7.808 2.061 1.00 0.00 H new ATOM 0 HG12 VAL A 26 5.079 8.012 2.078 1.00 0.00 H new ATOM 0 HG13 VAL A 26 4.046 9.126 3.005 1.00 0.00 H new ATOM 0 HG21 VAL A 26 1.887 9.352 0.841 1.00 0.00 H new ATOM 0 HG22 VAL A 26 2.544 10.749 1.727 1.00 0.00 H new ATOM 0 HG23 VAL A 26 2.583 10.725 -0.052 1.00 0.00 H new ATOM 349 N PRO A 27 4.552 12.846 1.182 1.00 0.00 N ATOM 350 CA PRO A 27 4.209 14.082 1.897 1.00 0.00 C ATOM 351 C PRO A 27 3.022 13.886 2.827 1.00 0.00 C ATOM 352 O PRO A 27 2.129 13.090 2.549 1.00 0.00 O ATOM 353 CB PRO A 27 3.852 15.050 0.764 1.00 0.00 C ATOM 354 CG PRO A 27 4.598 14.534 -0.411 1.00 0.00 C ATOM 355 CD PRO A 27 4.571 13.044 -0.272 1.00 0.00 C ATOM 0 HA PRO A 27 5.019 14.434 2.536 1.00 0.00 H new ATOM 0 HB2 PRO A 27 2.778 15.065 0.578 1.00 0.00 H new ATOM 0 HB3 PRO A 27 4.148 16.071 1.006 1.00 0.00 H new ATOM 0 HG2 PRO A 27 4.131 14.851 -1.344 1.00 0.00 H new ATOM 0 HG3 PRO A 27 5.621 14.910 -0.423 1.00 0.00 H new ATOM 0 HD2 PRO A 27 3.692 12.610 -0.749 1.00 0.00 H new ATOM 0 HD3 PRO A 27 5.444 12.580 -0.731 1.00 0.00 H new ATOM 363 N ASP A 28 3.022 14.623 3.930 1.00 0.00 N ATOM 364 CA ASP A 28 1.998 14.476 4.962 1.00 0.00 C ATOM 365 C ASP A 28 0.594 14.745 4.416 1.00 0.00 C ATOM 366 O ASP A 28 -0.374 14.091 4.804 1.00 0.00 O ATOM 367 CB ASP A 28 2.286 15.406 6.141 1.00 0.00 C ATOM 368 CG ASP A 28 1.265 15.247 7.254 1.00 0.00 C ATOM 369 OD1 ASP A 28 1.377 14.280 8.034 1.00 0.00 O ATOM 370 OD2 ASP A 28 0.335 16.080 7.348 1.00 0.00 O ATOM 0 H ASP A 28 3.724 15.334 4.136 1.00 0.00 H new ATOM 0 HA ASP A 28 2.031 13.441 5.303 1.00 0.00 H new ATOM 0 HB2 ASP A 28 3.283 15.199 6.531 1.00 0.00 H new ATOM 0 HB3 ASP A 28 2.287 16.440 5.795 1.00 0.00 H new ATOM 375 N GLY A 29 0.480 15.704 3.513 1.00 0.00 N ATOM 376 CA GLY A 29 -0.794 15.948 2.869 1.00 0.00 C ATOM 377 C GLY A 29 -1.137 14.846 1.888 1.00 0.00 C ATOM 378 O GLY A 29 -2.297 14.445 1.744 1.00 0.00 O ATOM 0 H GLY A 29 1.240 16.315 3.215 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -1.577 16.022 3.624 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -0.763 16.905 2.348 1.00 0.00 H new ATOM 382 N MET A 30 -0.107 14.317 1.254 1.00 0.00 N ATOM 383 CA MET A 30 -0.274 13.327 0.210 1.00 0.00 C ATOM 384 C MET A 30 -0.543 11.947 0.805 1.00 0.00 C ATOM 385 O MET A 30 -1.116 11.087 0.146 1.00 0.00 O ATOM 386 CB MET A 30 0.962 13.305 -0.689 1.00 0.00 C ATOM 387 CG MET A 30 0.733 12.619 -2.021 1.00 0.00 C ATOM 388 SD MET A 30 -0.697 13.279 -2.906 1.00 0.00 S ATOM 389 CE MET A 30 -0.322 15.032 -2.941 1.00 0.00 C ATOM 0 H MET A 30 0.864 14.561 1.448 1.00 0.00 H new ATOM 0 HA MET A 30 -1.139 13.599 -0.395 1.00 0.00 H new ATOM 0 HB2 MET A 30 1.288 14.329 -0.869 1.00 0.00 H new ATOM 0 HB3 MET A 30 1.773 12.800 -0.165 1.00 0.00 H new ATOM 0 HG2 MET A 30 1.623 12.731 -2.641 1.00 0.00 H new ATOM 0 HG3 MET A 30 0.592 11.551 -1.856 1.00 0.00 H new ATOM 0 HE1 MET A 30 -0.598 15.444 -3.912 1.00 0.00 H new ATOM 0 HE2 MET A 30 -0.885 15.540 -2.158 1.00 0.00 H new ATOM 0 HE3 MET A 30 0.745 15.179 -2.774 1.00 0.00 H new ATOM 399 N VAL A 31 -0.135 11.731 2.056 1.00 0.00 N ATOM 400 CA VAL A 31 -0.515 10.511 2.761 1.00 0.00 C ATOM 401 C VAL A 31 -1.961 10.621 3.229 1.00 0.00 C ATOM 402 O VAL A 31 -2.679 9.627 3.312 1.00 0.00 O ATOM 403 CB VAL A 31 0.419 10.168 3.952 1.00 0.00 C ATOM 404 CG1 VAL A 31 0.573 11.335 4.902 1.00 0.00 C ATOM 405 CG2 VAL A 31 -0.092 8.944 4.701 1.00 0.00 C ATOM 0 H VAL A 31 0.448 12.373 2.592 1.00 0.00 H new ATOM 0 HA VAL A 31 -0.411 9.689 2.053 1.00 0.00 H new ATOM 0 HB VAL A 31 1.402 9.946 3.537 1.00 0.00 H new ATOM 0 HG11 VAL A 31 1.234 11.053 5.721 1.00 0.00 H new ATOM 0 HG12 VAL A 31 0.999 12.185 4.368 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -0.403 11.610 5.302 1.00 0.00 H new ATOM 0 HG21 VAL A 31 0.577 8.720 5.532 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -1.093 9.144 5.084 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -0.126 8.091 4.023 1.00 0.00 H new ATOM 415 N GLY A 32 -2.403 11.840 3.507 1.00 0.00 N ATOM 416 CA GLY A 32 -3.814 12.060 3.746 1.00 0.00 C ATOM 417 C GLY A 32 -4.631 11.705 2.519 1.00 0.00 C ATOM 418 O GLY A 32 -5.807 11.361 2.613 1.00 0.00 O ATOM 0 H GLY A 32 -1.816 12.672 3.571 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -4.142 11.458 4.593 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -3.984 13.103 4.012 1.00 0.00 H new ATOM 422 N LEU A 33 -3.998 11.811 1.358 1.00 0.00 N ATOM 423 CA LEU A 33 -4.624 11.416 0.106 1.00 0.00 C ATOM 424 C LEU A 33 -4.356 9.945 -0.255 1.00 0.00 C ATOM 425 O LEU A 33 -5.132 9.349 -0.997 1.00 0.00 O ATOM 426 CB LEU A 33 -4.157 12.326 -1.029 1.00 0.00 C ATOM 427 CG LEU A 33 -4.501 13.804 -0.851 1.00 0.00 C ATOM 428 CD1 LEU A 33 -3.943 14.619 -2.001 1.00 0.00 C ATOM 429 CD2 LEU A 33 -6.007 13.991 -0.747 1.00 0.00 C ATOM 0 H LEU A 33 -3.048 12.169 1.259 1.00 0.00 H new ATOM 0 HA LEU A 33 -5.700 11.521 0.244 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -3.076 12.229 -1.132 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -4.598 11.975 -1.962 1.00 0.00 H new ATOM 0 HG LEU A 33 -4.046 14.156 0.075 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -4.197 15.670 -1.859 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -2.859 14.509 -2.033 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -4.371 14.266 -2.939 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -6.234 15.050 -0.621 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -6.483 13.624 -1.656 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -6.384 13.434 0.110 1.00 0.00 H new ATOM 441 N ILE A 34 -3.265 9.357 0.254 1.00 0.00 N ATOM 442 CA ILE A 34 -2.940 7.958 -0.062 1.00 0.00 C ATOM 443 C ILE A 34 -3.959 7.035 0.590 1.00 0.00 C ATOM 444 O ILE A 34 -4.299 5.972 0.067 1.00 0.00 O ATOM 445 CB ILE A 34 -1.505 7.548 0.385 1.00 0.00 C ATOM 446 CG1 ILE A 34 -1.087 6.244 -0.288 1.00 0.00 C ATOM 447 CG2 ILE A 34 -1.405 7.379 1.889 1.00 0.00 C ATOM 448 CD1 ILE A 34 -0.813 6.397 -1.765 1.00 0.00 C ATOM 0 H ILE A 34 -2.602 9.818 0.876 1.00 0.00 H new ATOM 0 HA ILE A 34 -2.975 7.863 -1.147 1.00 0.00 H new ATOM 0 HB ILE A 34 -0.838 8.355 0.082 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -0.193 5.860 0.203 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -1.872 5.502 -0.146 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -0.388 7.093 2.156 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -1.658 8.320 2.378 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -2.097 6.603 2.215 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -0.521 5.434 -2.183 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -1.713 6.752 -2.267 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -0.007 7.116 -1.913 1.00 0.00 H new ATOM 460 N ILE A 35 -4.449 7.469 1.742 1.00 0.00 N ATOM 461 CA ILE A 35 -5.518 6.777 2.435 1.00 0.00 C ATOM 462 C ILE A 35 -6.840 6.965 1.695 1.00 0.00 C ATOM 463 O ILE A 35 -7.847 6.342 2.035 1.00 0.00 O ATOM 464 CB ILE A 35 -5.630 7.221 3.905 1.00 0.00 C ATOM 465 CG1 ILE A 35 -5.645 8.746 4.016 1.00 0.00 C ATOM 466 CG2 ILE A 35 -4.489 6.624 4.715 1.00 0.00 C ATOM 467 CD1 ILE A 35 -5.570 9.257 5.438 1.00 0.00 C ATOM 0 H ILE A 35 -4.116 8.307 2.218 1.00 0.00 H new ATOM 0 HA ILE A 35 -5.277 5.714 2.445 1.00 0.00 H new ATOM 0 HB ILE A 35 -6.573 6.854 4.311 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -4.806 9.150 3.450 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -6.555 9.126 3.551 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -4.575 6.942 5.754 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -4.537 5.536 4.664 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -3.537 6.965 4.308 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -5.585 10.347 5.434 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -6.423 8.884 6.004 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -4.647 8.909 5.902 1.00 0.00 H new ATOM 479 N GLY A 36 -6.835 7.899 0.739 1.00 0.00 N ATOM 480 CA GLY A 36 -7.871 7.963 -0.288 1.00 0.00 C ATOM 481 C GLY A 36 -9.187 8.546 0.173 1.00 0.00 C ATOM 482 O GLY A 36 -10.071 8.804 -0.641 1.00 0.00 O ATOM 0 H GLY A 36 -6.121 8.622 0.658 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -7.499 8.557 -1.122 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -8.049 6.957 -0.668 1.00 0.00 H new ATOM 486 N ARG A 37 -9.317 8.762 1.466 1.00 0.00 N ATOM 487 CA ARG A 37 -10.577 9.204 2.045 1.00 0.00 C ATOM 488 C ARG A 37 -10.397 9.493 3.522 1.00 0.00 C ATOM 489 O ARG A 37 -11.045 10.376 4.079 1.00 0.00 O ATOM 490 CB ARG A 37 -11.663 8.140 1.838 1.00 0.00 C ATOM 491 CG ARG A 37 -11.256 6.745 2.296 1.00 0.00 C ATOM 492 CD ARG A 37 -12.280 5.703 1.880 1.00 0.00 C ATOM 493 NE ARG A 37 -13.548 5.877 2.578 1.00 0.00 N ATOM 494 CZ ARG A 37 -14.731 5.931 1.975 1.00 0.00 C ATOM 495 NH1 ARG A 37 -14.819 5.798 0.657 1.00 0.00 N ATOM 496 NH2 ARG A 37 -15.827 6.117 2.696 1.00 0.00 N ATOM 0 H ARG A 37 -8.563 8.639 2.142 1.00 0.00 H new ATOM 0 HA ARG A 37 -10.891 10.119 1.544 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -12.561 8.441 2.378 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -11.924 8.103 0.780 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -10.284 6.491 1.873 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -11.144 6.735 3.380 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -12.446 5.766 0.805 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -11.887 4.707 2.084 1.00 0.00 H new ATOM 0 HE ARG A 37 -13.526 5.963 3.594 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -13.976 5.653 0.102 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -15.730 5.840 0.200 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -15.760 6.218 3.709 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -16.738 6.159 2.238 1.00 0.00 H new ATOM 510 N GLY A 38 -9.504 8.744 4.147 1.00 0.00 N ATOM 511 CA GLY A 38 -9.237 8.947 5.549 1.00 0.00 C ATOM 512 C GLY A 38 -8.567 7.753 6.197 1.00 0.00 C ATOM 513 O GLY A 38 -8.259 7.787 7.385 1.00 0.00 O ATOM 0 H GLY A 38 -8.961 8.001 3.707 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -8.602 9.824 5.670 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -10.173 9.158 6.066 1.00 0.00 H new ATOM 517 N GLY A 39 -8.355 6.686 5.432 1.00 0.00 N ATOM 518 CA GLY A 39 -7.606 5.564 5.954 1.00 0.00 C ATOM 519 C GLY A 39 -7.928 4.270 5.246 1.00 0.00 C ATOM 520 O GLY A 39 -7.043 3.454 4.999 1.00 0.00 O ATOM 0 H GLY A 39 -8.685 6.581 4.473 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -6.540 5.769 5.861 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -7.818 5.454 7.018 1.00 0.00 H new ATOM 524 N GLU A 40 -9.195 4.103 4.894 1.00 0.00 N ATOM 525 CA GLU A 40 -9.683 2.853 4.328 1.00 0.00 C ATOM 526 C GLU A 40 -8.931 2.430 3.073 1.00 0.00 C ATOM 527 O GLU A 40 -8.627 1.260 2.923 1.00 0.00 O ATOM 528 CB GLU A 40 -11.178 2.932 4.003 1.00 0.00 C ATOM 529 CG GLU A 40 -12.063 3.246 5.197 1.00 0.00 C ATOM 530 CD GLU A 40 -12.327 4.730 5.352 1.00 0.00 C ATOM 531 OE1 GLU A 40 -11.358 5.500 5.534 1.00 0.00 O ATOM 532 OE2 GLU A 40 -13.503 5.138 5.257 1.00 0.00 O ATOM 0 H GLU A 40 -9.909 4.825 4.992 1.00 0.00 H new ATOM 0 HA GLU A 40 -9.508 2.101 5.098 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -11.332 3.696 3.241 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -11.494 1.983 3.571 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -13.012 2.721 5.089 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -11.591 2.868 6.104 1.00 0.00 H new ATOM 539 N GLN A 41 -8.611 3.370 2.184 1.00 0.00 N ATOM 540 CA GLN A 41 -8.116 3.004 0.856 1.00 0.00 C ATOM 541 C GLN A 41 -6.836 2.176 0.923 1.00 0.00 C ATOM 542 O GLN A 41 -6.711 1.173 0.224 1.00 0.00 O ATOM 543 CB GLN A 41 -7.871 4.230 -0.015 1.00 0.00 C ATOM 544 CG GLN A 41 -7.562 3.886 -1.461 1.00 0.00 C ATOM 545 CD GLN A 41 -7.337 5.116 -2.308 1.00 0.00 C ATOM 546 OE1 GLN A 41 -8.261 5.642 -2.924 1.00 0.00 O ATOM 547 NE2 GLN A 41 -6.110 5.600 -2.318 1.00 0.00 N ATOM 0 H GLN A 41 -8.683 4.373 2.354 1.00 0.00 H new ATOM 0 HA GLN A 41 -8.901 2.396 0.406 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -8.751 4.873 0.018 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -7.042 4.803 0.400 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -6.675 3.254 -1.500 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -8.385 3.306 -1.878 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -5.373 5.131 -1.792 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -5.899 6.443 -2.852 1.00 0.00 H new ATOM 556 N ILE A 42 -5.890 2.581 1.761 1.00 0.00 N ATOM 557 CA ILE A 42 -4.622 1.869 1.837 1.00 0.00 C ATOM 558 C ILE A 42 -4.839 0.449 2.339 1.00 0.00 C ATOM 559 O ILE A 42 -4.368 -0.503 1.724 1.00 0.00 O ATOM 560 CB ILE A 42 -3.570 2.597 2.710 1.00 0.00 C ATOM 561 CG1 ILE A 42 -2.241 1.839 2.693 1.00 0.00 C ATOM 562 CG2 ILE A 42 -4.052 2.794 4.141 1.00 0.00 C ATOM 563 CD1 ILE A 42 -1.604 1.765 1.322 1.00 0.00 C ATOM 0 H ILE A 42 -5.973 3.383 2.386 1.00 0.00 H new ATOM 0 HA ILE A 42 -4.220 1.838 0.824 1.00 0.00 H new ATOM 0 HB ILE A 42 -3.420 3.586 2.278 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -1.548 2.322 3.381 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -2.404 0.827 3.064 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -3.282 3.308 4.717 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -4.964 3.392 4.139 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -4.255 1.823 4.593 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -0.666 1.214 1.386 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -2.279 1.255 0.634 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -1.408 2.773 0.957 1.00 0.00 H new ATOM 575 N ASN A 43 -5.599 0.311 3.423 1.00 0.00 N ATOM 576 CA ASN A 43 -5.880 -0.996 3.996 1.00 0.00 C ATOM 577 C ASN A 43 -6.715 -1.810 3.024 1.00 0.00 C ATOM 578 O ASN A 43 -6.567 -3.020 2.928 1.00 0.00 O ATOM 579 CB ASN A 43 -6.609 -0.863 5.335 1.00 0.00 C ATOM 580 CG ASN A 43 -5.829 -0.033 6.339 1.00 0.00 C ATOM 581 OD1 ASN A 43 -4.597 -0.032 6.338 1.00 0.00 O ATOM 582 ND2 ASN A 43 -6.537 0.685 7.198 1.00 0.00 N ATOM 0 H ASN A 43 -6.030 1.091 3.920 1.00 0.00 H new ATOM 0 HA ASN A 43 -4.934 -1.506 4.177 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -7.585 -0.406 5.170 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -6.787 -1.856 5.749 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -6.063 1.265 7.890 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -7.556 0.658 7.167 1.00 0.00 H new ATOM 589 N LYS A 44 -7.569 -1.120 2.286 1.00 0.00 N ATOM 590 CA LYS A 44 -8.425 -1.741 1.293 1.00 0.00 C ATOM 591 C LYS A 44 -7.581 -2.427 0.228 1.00 0.00 C ATOM 592 O LYS A 44 -7.791 -3.596 -0.086 1.00 0.00 O ATOM 593 CB LYS A 44 -9.325 -0.676 0.651 1.00 0.00 C ATOM 594 CG LYS A 44 -10.491 -1.244 -0.136 1.00 0.00 C ATOM 595 CD LYS A 44 -11.471 -1.960 0.778 1.00 0.00 C ATOM 596 CE LYS A 44 -12.629 -2.561 -0.003 1.00 0.00 C ATOM 597 NZ LYS A 44 -12.160 -3.464 -1.087 1.00 0.00 N ATOM 0 H LYS A 44 -7.687 -0.110 2.360 1.00 0.00 H new ATOM 0 HA LYS A 44 -9.049 -2.492 1.778 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -9.712 -0.023 1.433 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -8.721 -0.056 -0.011 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -11.003 -0.440 -0.665 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -10.121 -1.937 -0.891 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -10.952 -2.748 1.323 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -11.856 -1.260 1.519 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -13.276 -3.116 0.677 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -13.231 -1.760 -0.433 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -12.959 -4.031 -1.437 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -11.770 -2.897 -1.867 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -11.423 -4.097 -0.717 1.00 0.00 H new ATOM 611 N ILE A 45 -6.608 -1.698 -0.301 1.00 0.00 N ATOM 612 CA ILE A 45 -5.751 -2.217 -1.358 1.00 0.00 C ATOM 613 C ILE A 45 -4.713 -3.200 -0.816 1.00 0.00 C ATOM 614 O ILE A 45 -4.452 -4.230 -1.436 1.00 0.00 O ATOM 615 CB ILE A 45 -5.051 -1.075 -2.147 1.00 0.00 C ATOM 616 CG1 ILE A 45 -5.976 -0.508 -3.237 1.00 0.00 C ATOM 617 CG2 ILE A 45 -3.743 -1.556 -2.769 1.00 0.00 C ATOM 618 CD1 ILE A 45 -7.223 0.178 -2.716 1.00 0.00 C ATOM 0 H ILE A 45 -6.392 -0.743 -0.015 1.00 0.00 H new ATOM 0 HA ILE A 45 -6.401 -2.756 -2.047 1.00 0.00 H new ATOM 0 HB ILE A 45 -4.824 -0.280 -1.437 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -5.411 0.203 -3.840 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -6.275 -1.320 -3.900 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -3.276 -0.736 -3.314 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -3.070 -1.898 -1.983 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -3.947 -2.378 -3.455 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -7.814 0.546 -3.555 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -7.815 -0.533 -2.139 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -6.938 1.015 -2.078 1.00 0.00 H new ATOM 630 N GLN A 46 -4.125 -2.906 0.340 1.00 0.00 N ATOM 631 CA GLN A 46 -3.101 -3.787 0.889 1.00 0.00 C ATOM 632 C GLN A 46 -3.723 -5.099 1.378 1.00 0.00 C ATOM 633 O GLN A 46 -3.075 -6.143 1.377 1.00 0.00 O ATOM 634 CB GLN A 46 -2.281 -3.085 1.991 1.00 0.00 C ATOM 635 CG GLN A 46 -3.058 -2.641 3.222 1.00 0.00 C ATOM 636 CD GLN A 46 -3.015 -3.649 4.358 1.00 0.00 C ATOM 637 OE1 GLN A 46 -3.857 -4.540 4.456 1.00 0.00 O ATOM 638 NE2 GLN A 46 -2.036 -3.499 5.239 1.00 0.00 N ATOM 0 H GLN A 46 -4.334 -2.082 0.904 1.00 0.00 H new ATOM 0 HA GLN A 46 -2.401 -4.033 0.091 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -1.487 -3.760 2.311 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -1.799 -2.210 1.555 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -2.656 -1.691 3.574 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -4.097 -2.463 2.943 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -1.356 -2.747 5.123 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -1.962 -4.135 6.033 1.00 0.00 H new ATOM 647 N GLN A 47 -4.993 -5.049 1.761 1.00 0.00 N ATOM 648 CA GLN A 47 -5.726 -6.256 2.128 1.00 0.00 C ATOM 649 C GLN A 47 -6.141 -7.001 0.865 1.00 0.00 C ATOM 650 O GLN A 47 -6.062 -8.229 0.800 1.00 0.00 O ATOM 651 CB GLN A 47 -6.950 -5.886 2.977 1.00 0.00 C ATOM 652 CG GLN A 47 -7.649 -7.061 3.643 1.00 0.00 C ATOM 653 CD GLN A 47 -8.849 -7.563 2.860 1.00 0.00 C ATOM 654 OE1 GLN A 47 -9.966 -7.083 3.050 1.00 0.00 O ATOM 655 NE2 GLN A 47 -8.634 -8.532 1.988 1.00 0.00 N ATOM 0 H GLN A 47 -5.536 -4.188 1.826 1.00 0.00 H new ATOM 0 HA GLN A 47 -5.087 -6.909 2.722 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -6.639 -5.183 3.749 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -7.669 -5.366 2.344 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -6.937 -7.877 3.767 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -7.972 -6.765 4.641 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -7.693 -8.903 1.860 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -9.409 -8.909 1.443 1.00 0.00 H new ATOM 664 N ASP A 48 -6.566 -6.238 -0.136 1.00 0.00 N ATOM 665 CA ASP A 48 -6.968 -6.787 -1.430 1.00 0.00 C ATOM 666 C ASP A 48 -5.807 -7.524 -2.093 1.00 0.00 C ATOM 667 O ASP A 48 -5.985 -8.584 -2.692 1.00 0.00 O ATOM 668 CB ASP A 48 -7.459 -5.655 -2.344 1.00 0.00 C ATOM 669 CG ASP A 48 -7.862 -6.134 -3.722 1.00 0.00 C ATOM 670 OD1 ASP A 48 -9.041 -6.512 -3.905 1.00 0.00 O ATOM 671 OD2 ASP A 48 -7.011 -6.118 -4.636 1.00 0.00 O ATOM 0 H ASP A 48 -6.642 -5.223 -0.076 1.00 0.00 H new ATOM 0 HA ASP A 48 -7.777 -7.499 -1.267 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -8.310 -5.161 -1.875 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -6.671 -4.908 -2.442 1.00 0.00 H new ATOM 676 N SER A 49 -4.619 -6.955 -1.976 1.00 0.00 N ATOM 677 CA SER A 49 -3.431 -7.543 -2.569 1.00 0.00 C ATOM 678 C SER A 49 -2.873 -8.661 -1.695 1.00 0.00 C ATOM 679 O SER A 49 -2.497 -9.723 -2.191 1.00 0.00 O ATOM 680 CB SER A 49 -2.367 -6.467 -2.785 1.00 0.00 C ATOM 681 OG SER A 49 -2.135 -5.735 -1.593 1.00 0.00 O ATOM 0 H SER A 49 -4.452 -6.083 -1.474 1.00 0.00 H new ATOM 0 HA SER A 49 -3.710 -7.973 -3.531 1.00 0.00 H new ATOM 0 HB2 SER A 49 -1.438 -6.931 -3.118 1.00 0.00 H new ATOM 0 HB3 SER A 49 -2.686 -5.789 -3.576 1.00 0.00 H new ATOM 0 HG SER A 49 -2.876 -5.112 -1.442 1.00 0.00 H new ATOM 687 N GLY A 50 -2.842 -8.420 -0.393 1.00 0.00 N ATOM 688 CA GLY A 50 -2.224 -9.354 0.523 1.00 0.00 C ATOM 689 C GLY A 50 -0.908 -8.815 1.033 1.00 0.00 C ATOM 690 O GLY A 50 -0.208 -9.467 1.807 1.00 0.00 O ATOM 0 H GLY A 50 -3.237 -7.589 0.047 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -2.894 -9.545 1.362 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -2.061 -10.308 0.022 1.00 0.00 H new ATOM 694 N CYS A 51 -0.577 -7.611 0.585 1.00 0.00 N ATOM 695 CA CYS A 51 0.641 -6.943 1.000 1.00 0.00 C ATOM 696 C CYS A 51 0.452 -6.306 2.372 1.00 0.00 C ATOM 697 O CYS A 51 -0.593 -5.727 2.662 1.00 0.00 O ATOM 698 CB CYS A 51 1.027 -5.876 -0.026 1.00 0.00 C ATOM 699 SG CYS A 51 2.606 -5.060 0.304 1.00 0.00 S ATOM 0 H CYS A 51 -1.144 -7.076 -0.072 1.00 0.00 H new ATOM 0 HA CYS A 51 1.442 -7.680 1.064 1.00 0.00 H new ATOM 0 HB2 CYS A 51 1.069 -6.337 -1.013 1.00 0.00 H new ATOM 0 HB3 CYS A 51 0.242 -5.121 -0.060 1.00 0.00 H new ATOM 0 HG CYS A 51 3.092 -5.494 1.429 1.00 0.00 H new ATOM 705 N LYS A 52 1.466 -6.411 3.211 1.00 0.00 N ATOM 706 CA LYS A 52 1.412 -5.848 4.548 1.00 0.00 C ATOM 707 C LYS A 52 1.983 -4.439 4.527 1.00 0.00 C ATOM 708 O LYS A 52 3.143 -4.212 4.875 1.00 0.00 O ATOM 709 CB LYS A 52 2.185 -6.739 5.529 1.00 0.00 C ATOM 710 CG LYS A 52 1.849 -8.219 5.387 1.00 0.00 C ATOM 711 CD LYS A 52 0.349 -8.462 5.481 1.00 0.00 C ATOM 712 CE LYS A 52 -0.027 -9.848 4.983 1.00 0.00 C ATOM 713 NZ LYS A 52 -1.501 -10.041 4.948 1.00 0.00 N ATOM 0 H LYS A 52 2.342 -6.884 2.989 1.00 0.00 H new ATOM 0 HA LYS A 52 0.376 -5.801 4.882 1.00 0.00 H new ATOM 0 HB2 LYS A 52 3.254 -6.599 5.372 1.00 0.00 H new ATOM 0 HB3 LYS A 52 1.968 -6.420 6.548 1.00 0.00 H new ATOM 0 HG2 LYS A 52 2.219 -8.587 4.430 1.00 0.00 H new ATOM 0 HG3 LYS A 52 2.360 -8.786 6.166 1.00 0.00 H new ATOM 0 HD2 LYS A 52 0.026 -8.347 6.515 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -0.179 -7.709 4.896 1.00 0.00 H new ATOM 0 HE2 LYS A 52 0.383 -9.999 3.985 1.00 0.00 H new ATOM 0 HE3 LYS A 52 0.423 -10.601 5.630 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -1.718 -10.998 4.603 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -1.890 -9.922 5.905 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -1.928 -9.339 4.311 1.00 0.00 H new ATOM 727 N VAL A 53 1.162 -3.504 4.077 1.00 0.00 N ATOM 728 CA VAL A 53 1.567 -2.113 3.952 1.00 0.00 C ATOM 729 C VAL A 53 1.275 -1.360 5.239 1.00 0.00 C ATOM 730 O VAL A 53 0.134 -1.328 5.704 1.00 0.00 O ATOM 731 CB VAL A 53 0.838 -1.428 2.780 1.00 0.00 C ATOM 732 CG1 VAL A 53 1.326 -0.001 2.588 1.00 0.00 C ATOM 733 CG2 VAL A 53 1.025 -2.227 1.506 1.00 0.00 C ATOM 0 H VAL A 53 0.201 -3.686 3.789 1.00 0.00 H new ATOM 0 HA VAL A 53 2.639 -2.094 3.756 1.00 0.00 H new ATOM 0 HB VAL A 53 -0.225 -1.390 3.019 1.00 0.00 H new ATOM 0 HG11 VAL A 53 0.794 0.457 1.754 1.00 0.00 H new ATOM 0 HG12 VAL A 53 1.140 0.573 3.496 1.00 0.00 H new ATOM 0 HG13 VAL A 53 2.395 -0.008 2.376 1.00 0.00 H new ATOM 0 HG21 VAL A 53 0.505 -1.732 0.686 1.00 0.00 H new ATOM 0 HG22 VAL A 53 2.087 -2.296 1.273 1.00 0.00 H new ATOM 0 HG23 VAL A 53 0.617 -3.229 1.642 1.00 0.00 H new ATOM 743 N GLN A 54 2.307 -0.762 5.808 1.00 0.00 N ATOM 744 CA GLN A 54 2.181 -0.073 7.078 1.00 0.00 C ATOM 745 C GLN A 54 2.515 1.403 6.908 1.00 0.00 C ATOM 746 O GLN A 54 3.510 1.754 6.269 1.00 0.00 O ATOM 747 CB GLN A 54 3.113 -0.706 8.113 1.00 0.00 C ATOM 748 CG GLN A 54 2.522 -0.775 9.513 1.00 0.00 C ATOM 749 CD GLN A 54 1.340 -1.723 9.595 1.00 0.00 C ATOM 750 OE1 GLN A 54 1.505 -2.915 9.845 1.00 0.00 O ATOM 751 NE2 GLN A 54 0.142 -1.201 9.395 1.00 0.00 N ATOM 0 H GLN A 54 3.245 -0.740 5.408 1.00 0.00 H new ATOM 0 HA GLN A 54 1.152 -0.163 7.427 1.00 0.00 H new ATOM 0 HB2 GLN A 54 3.370 -1.714 7.788 1.00 0.00 H new ATOM 0 HB3 GLN A 54 4.041 -0.136 8.149 1.00 0.00 H new ATOM 0 HG2 GLN A 54 3.292 -1.097 10.214 1.00 0.00 H new ATOM 0 HG3 GLN A 54 2.207 0.222 9.821 1.00 0.00 H new ATOM 0 HE21 GLN A 54 0.047 -0.206 9.190 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -0.687 -1.793 9.446 1.00 0.00 H new ATOM 760 N ILE A 55 1.682 2.263 7.468 1.00 0.00 N ATOM 761 CA ILE A 55 1.901 3.697 7.385 1.00 0.00 C ATOM 762 C ILE A 55 2.705 4.167 8.596 1.00 0.00 C ATOM 763 O ILE A 55 2.154 4.355 9.677 1.00 0.00 O ATOM 764 CB ILE A 55 0.561 4.473 7.309 1.00 0.00 C ATOM 765 CG1 ILE A 55 -0.299 3.974 6.138 1.00 0.00 C ATOM 766 CG2 ILE A 55 0.809 5.965 7.175 1.00 0.00 C ATOM 767 CD1 ILE A 55 0.395 4.024 4.795 1.00 0.00 C ATOM 0 H ILE A 55 0.846 1.993 7.986 1.00 0.00 H new ATOM 0 HA ILE A 55 2.459 3.901 6.471 1.00 0.00 H new ATOM 0 HB ILE A 55 0.019 4.291 8.237 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -0.605 2.947 6.338 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -1.208 4.574 6.088 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -0.145 6.489 7.123 1.00 0.00 H new ATOM 0 HG22 ILE A 55 1.371 6.319 8.039 1.00 0.00 H new ATOM 0 HG23 ILE A 55 1.379 6.159 6.266 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -0.280 3.655 4.023 1.00 0.00 H new ATOM 0 HD12 ILE A 55 0.677 5.052 4.569 1.00 0.00 H new ATOM 0 HD13 ILE A 55 1.289 3.401 4.824 1.00 0.00 H new ATOM 779 N SER A 56 4.013 4.326 8.413 1.00 0.00 N ATOM 780 CA SER A 56 4.906 4.715 9.502 1.00 0.00 C ATOM 781 C SER A 56 4.859 6.226 9.737 1.00 0.00 C ATOM 782 O SER A 56 5.359 7.012 8.922 1.00 0.00 O ATOM 783 CB SER A 56 6.336 4.264 9.188 1.00 0.00 C ATOM 784 OG SER A 56 6.367 2.890 8.830 1.00 0.00 O ATOM 0 H SER A 56 4.480 4.191 7.516 1.00 0.00 H new ATOM 0 HA SER A 56 4.571 4.225 10.416 1.00 0.00 H new ATOM 0 HB2 SER A 56 6.741 4.865 8.374 1.00 0.00 H new ATOM 0 HB3 SER A 56 6.974 4.432 10.056 1.00 0.00 H new ATOM 0 HG SER A 56 6.724 2.796 7.922 1.00 0.00 H new ATOM 790 N PRO A 57 4.246 6.648 10.856 1.00 0.00 N ATOM 791 CA PRO A 57 4.057 8.056 11.189 1.00 0.00 C ATOM 792 C PRO A 57 5.277 8.669 11.865 1.00 0.00 C ATOM 793 O PRO A 57 5.454 9.888 11.857 1.00 0.00 O ATOM 794 CB PRO A 57 2.864 8.041 12.161 1.00 0.00 C ATOM 795 CG PRO A 57 2.482 6.602 12.335 1.00 0.00 C ATOM 796 CD PRO A 57 3.662 5.793 11.890 1.00 0.00 C ATOM 0 HA PRO A 57 3.894 8.659 10.296 1.00 0.00 H new ATOM 0 HB2 PRO A 57 3.135 8.490 13.117 1.00 0.00 H new ATOM 0 HB3 PRO A 57 2.030 8.619 11.763 1.00 0.00 H new ATOM 0 HG2 PRO A 57 2.235 6.389 13.375 1.00 0.00 H new ATOM 0 HG3 PRO A 57 1.600 6.360 11.742 1.00 0.00 H new ATOM 0 HD2 PRO A 57 4.360 5.606 12.706 1.00 0.00 H new ATOM 0 HD3 PRO A 57 3.365 4.821 11.496 1.00 0.00 H new ATOM 804 N ASP A 58 6.116 7.821 12.446 1.00 0.00 N ATOM 805 CA ASP A 58 7.299 8.287 13.159 1.00 0.00 C ATOM 806 C ASP A 58 8.393 8.621 12.161 1.00 0.00 C ATOM 807 O ASP A 58 9.135 9.590 12.331 1.00 0.00 O ATOM 808 CB ASP A 58 7.809 7.220 14.135 1.00 0.00 C ATOM 809 CG ASP A 58 6.708 6.602 14.972 1.00 0.00 C ATOM 810 OD1 ASP A 58 6.345 7.180 16.014 1.00 0.00 O ATOM 811 OD2 ASP A 58 6.208 5.520 14.592 1.00 0.00 O ATOM 0 H ASP A 58 6.000 6.808 12.438 1.00 0.00 H new ATOM 0 HA ASP A 58 7.029 9.176 13.729 1.00 0.00 H new ATOM 0 HB2 ASP A 58 8.314 6.434 13.573 1.00 0.00 H new ATOM 0 HB3 ASP A 58 8.552 7.667 14.796 1.00 0.00 H new ATOM 816 N SER A 59 8.470 7.790 11.124 1.00 0.00 N ATOM 817 CA SER A 59 9.411 7.955 10.025 1.00 0.00 C ATOM 818 C SER A 59 10.844 7.704 10.493 1.00 0.00 C ATOM 819 O SER A 59 11.376 6.611 10.289 1.00 0.00 O ATOM 820 CB SER A 59 9.271 9.340 9.386 1.00 0.00 C ATOM 821 OG SER A 59 10.009 9.414 8.182 1.00 0.00 O ATOM 0 H SER A 59 7.870 6.971 11.025 1.00 0.00 H new ATOM 0 HA SER A 59 9.174 7.213 9.263 1.00 0.00 H new ATOM 0 HB2 SER A 59 8.220 9.549 9.187 1.00 0.00 H new ATOM 0 HB3 SER A 59 9.622 10.103 10.081 1.00 0.00 H new ATOM 0 HG SER A 59 9.626 8.796 7.525 1.00 0.00 H new ATOM 827 N GLY A 60 11.462 8.691 11.123 1.00 0.00 N ATOM 828 CA GLY A 60 12.813 8.512 11.611 1.00 0.00 C ATOM 829 C GLY A 60 13.839 8.727 10.519 1.00 0.00 C ATOM 830 O GLY A 60 14.749 7.917 10.336 1.00 0.00 O ATOM 0 H GLY A 60 11.055 9.608 11.305 1.00 0.00 H new ATOM 0 HA2 GLY A 60 13.000 9.210 12.427 1.00 0.00 H new ATOM 0 HA3 GLY A 60 12.922 7.507 12.019 1.00 0.00 H new ATOM 834 N GLY A 61 13.687 9.824 9.794 1.00 0.00 N ATOM 835 CA GLY A 61 14.573 10.122 8.691 1.00 0.00 C ATOM 836 C GLY A 61 13.923 11.052 7.691 1.00 0.00 C ATOM 837 O GLY A 61 14.597 11.849 7.039 1.00 0.00 O ATOM 0 H GLY A 61 12.958 10.519 9.953 1.00 0.00 H new ATOM 0 HA2 GLY A 61 15.488 10.577 9.071 1.00 0.00 H new ATOM 0 HA3 GLY A 61 14.861 9.196 8.194 1.00 0.00 H new ATOM 841 N LEU A 62 12.608 10.950 7.574 1.00 0.00 N ATOM 842 CA LEU A 62 11.856 11.785 6.651 1.00 0.00 C ATOM 843 C LEU A 62 10.950 12.732 7.433 1.00 0.00 C ATOM 844 O LEU A 62 10.405 12.360 8.469 1.00 0.00 O ATOM 845 CB LEU A 62 11.010 10.923 5.692 1.00 0.00 C ATOM 846 CG LEU A 62 11.786 9.979 4.761 1.00 0.00 C ATOM 847 CD1 LEU A 62 13.064 10.633 4.260 1.00 0.00 C ATOM 848 CD2 LEU A 62 12.087 8.657 5.452 1.00 0.00 C ATOM 0 H LEU A 62 12.038 10.295 8.109 1.00 0.00 H new ATOM 0 HA LEU A 62 12.563 12.365 6.057 1.00 0.00 H new ATOM 0 HB2 LEU A 62 10.320 10.325 6.288 1.00 0.00 H new ATOM 0 HB3 LEU A 62 10.405 11.589 5.077 1.00 0.00 H new ATOM 0 HG LEU A 62 11.155 9.771 3.897 1.00 0.00 H new ATOM 0 HD11 LEU A 62 13.593 9.942 3.603 1.00 0.00 H new ATOM 0 HD12 LEU A 62 12.817 11.540 3.709 1.00 0.00 H new ATOM 0 HD13 LEU A 62 13.700 10.886 5.108 1.00 0.00 H new ATOM 0 HD21 LEU A 62 12.637 8.007 4.771 1.00 0.00 H new ATOM 0 HD22 LEU A 62 12.688 8.841 6.343 1.00 0.00 H new ATOM 0 HD23 LEU A 62 11.152 8.175 5.738 1.00 0.00 H new ATOM 860 N PRO A 63 10.779 13.973 6.952 1.00 0.00 N ATOM 861 CA PRO A 63 9.907 14.960 7.599 1.00 0.00 C ATOM 862 C PRO A 63 8.456 14.760 7.190 1.00 0.00 C ATOM 863 O PRO A 63 7.580 15.581 7.476 1.00 0.00 O ATOM 864 CB PRO A 63 10.431 16.267 7.026 1.00 0.00 C ATOM 865 CG PRO A 63 10.792 15.901 5.630 1.00 0.00 C ATOM 866 CD PRO A 63 11.409 14.528 5.732 1.00 0.00 C ATOM 0 HA PRO A 63 9.922 14.904 8.687 1.00 0.00 H new ATOM 0 HB2 PRO A 63 9.675 17.052 7.055 1.00 0.00 H new ATOM 0 HB3 PRO A 63 11.293 16.634 7.582 1.00 0.00 H new ATOM 0 HG2 PRO A 63 9.913 15.892 4.985 1.00 0.00 H new ATOM 0 HG3 PRO A 63 11.493 16.618 5.203 1.00 0.00 H new ATOM 0 HD2 PRO A 63 11.192 13.921 4.853 1.00 0.00 H new ATOM 0 HD3 PRO A 63 12.494 14.578 5.824 1.00 0.00 H new ATOM 874 N GLU A 64 8.230 13.667 6.496 1.00 0.00 N ATOM 875 CA GLU A 64 6.942 13.351 5.934 1.00 0.00 C ATOM 876 C GLU A 64 6.523 11.958 6.380 1.00 0.00 C ATOM 877 O GLU A 64 6.957 11.479 7.428 1.00 0.00 O ATOM 878 CB GLU A 64 7.028 13.452 4.407 1.00 0.00 C ATOM 879 CG GLU A 64 8.176 12.648 3.807 1.00 0.00 C ATOM 880 CD GLU A 64 8.609 13.168 2.452 1.00 0.00 C ATOM 881 OE1 GLU A 64 7.810 13.103 1.494 1.00 0.00 O ATOM 882 OE2 GLU A 64 9.751 13.663 2.344 1.00 0.00 O ATOM 0 H GLU A 64 8.946 12.966 6.305 1.00 0.00 H new ATOM 0 HA GLU A 64 6.187 14.056 6.284 1.00 0.00 H new ATOM 0 HB2 GLU A 64 6.089 13.107 3.975 1.00 0.00 H new ATOM 0 HB3 GLU A 64 7.143 14.499 4.126 1.00 0.00 H new ATOM 0 HG2 GLU A 64 9.026 12.672 4.489 1.00 0.00 H new ATOM 0 HG3 GLU A 64 7.873 11.605 3.711 1.00 0.00 H new ATOM 889 N ARG A 65 5.690 11.309 5.600 1.00 0.00 N ATOM 890 CA ARG A 65 5.243 9.978 5.929 1.00 0.00 C ATOM 891 C ARG A 65 6.117 8.952 5.225 1.00 0.00 C ATOM 892 O ARG A 65 6.523 9.154 4.081 1.00 0.00 O ATOM 893 CB ARG A 65 3.784 9.797 5.521 1.00 0.00 C ATOM 894 CG ARG A 65 3.147 8.554 6.105 1.00 0.00 C ATOM 895 CD ARG A 65 3.165 8.603 7.622 1.00 0.00 C ATOM 896 NE ARG A 65 2.410 9.735 8.158 1.00 0.00 N ATOM 897 CZ ARG A 65 2.949 10.713 8.888 1.00 0.00 C ATOM 898 NH1 ARG A 65 4.250 10.718 9.150 1.00 0.00 N ATOM 899 NH2 ARG A 65 2.189 11.695 9.349 1.00 0.00 N ATOM 0 H ARG A 65 5.308 11.683 4.731 1.00 0.00 H new ATOM 0 HA ARG A 65 5.323 9.832 7.006 1.00 0.00 H new ATOM 0 HB2 ARG A 65 3.215 10.671 5.837 1.00 0.00 H new ATOM 0 HB3 ARG A 65 3.721 9.752 4.434 1.00 0.00 H new ATOM 0 HG2 ARG A 65 2.120 8.466 5.751 1.00 0.00 H new ATOM 0 HG3 ARG A 65 3.681 7.669 5.759 1.00 0.00 H new ATOM 0 HD2 ARG A 65 2.750 7.675 8.017 1.00 0.00 H new ATOM 0 HD3 ARG A 65 4.197 8.663 7.967 1.00 0.00 H new ATOM 0 HE ARG A 65 1.410 9.780 7.962 1.00 0.00 H new ATOM 0 HH11 ARG A 65 4.845 9.971 8.792 1.00 0.00 H new ATOM 0 HH12 ARG A 65 4.655 11.469 9.709 1.00 0.00 H new ATOM 0 HH21 ARG A 65 1.189 11.705 9.146 1.00 0.00 H new ATOM 0 HH22 ARG A 65 2.603 12.442 9.907 1.00 0.00 H new ATOM 913 N SER A 66 6.426 7.868 5.908 1.00 0.00 N ATOM 914 CA SER A 66 7.175 6.794 5.295 1.00 0.00 C ATOM 915 C SER A 66 6.319 5.531 5.253 1.00 0.00 C ATOM 916 O SER A 66 6.023 4.929 6.285 1.00 0.00 O ATOM 917 CB SER A 66 8.489 6.571 6.047 1.00 0.00 C ATOM 918 OG SER A 66 8.265 6.394 7.435 1.00 0.00 O ATOM 0 H SER A 66 6.171 7.709 6.883 1.00 0.00 H new ATOM 0 HA SER A 66 7.429 7.060 4.269 1.00 0.00 H new ATOM 0 HB2 SER A 66 8.997 5.695 5.644 1.00 0.00 H new ATOM 0 HB3 SER A 66 9.150 7.423 5.889 1.00 0.00 H new ATOM 0 HG SER A 66 8.879 5.713 7.781 1.00 0.00 H new ATOM 924 N VAL A 67 5.886 5.163 4.060 1.00 0.00 N ATOM 925 CA VAL A 67 5.004 4.021 3.889 1.00 0.00 C ATOM 926 C VAL A 67 5.806 2.796 3.517 1.00 0.00 C ATOM 927 O VAL A 67 6.411 2.745 2.449 1.00 0.00 O ATOM 928 CB VAL A 67 3.947 4.273 2.796 1.00 0.00 C ATOM 929 CG1 VAL A 67 3.057 3.053 2.613 1.00 0.00 C ATOM 930 CG2 VAL A 67 3.116 5.501 3.126 1.00 0.00 C ATOM 0 H VAL A 67 6.132 5.640 3.192 1.00 0.00 H new ATOM 0 HA VAL A 67 4.492 3.864 4.838 1.00 0.00 H new ATOM 0 HB VAL A 67 4.467 4.456 1.856 1.00 0.00 H new ATOM 0 HG11 VAL A 67 2.319 3.254 1.837 1.00 0.00 H new ATOM 0 HG12 VAL A 67 3.667 2.198 2.321 1.00 0.00 H new ATOM 0 HG13 VAL A 67 2.547 2.831 3.550 1.00 0.00 H new ATOM 0 HG21 VAL A 67 2.376 5.661 2.342 1.00 0.00 H new ATOM 0 HG22 VAL A 67 2.608 5.351 4.079 1.00 0.00 H new ATOM 0 HG23 VAL A 67 3.767 6.373 3.194 1.00 0.00 H new ATOM 940 N SER A 68 5.816 1.814 4.390 1.00 0.00 N ATOM 941 CA SER A 68 6.548 0.602 4.128 1.00 0.00 C ATOM 942 C SER A 68 5.649 -0.414 3.460 1.00 0.00 C ATOM 943 O SER A 68 4.508 -0.620 3.881 1.00 0.00 O ATOM 944 CB SER A 68 7.058 0.006 5.413 1.00 0.00 C ATOM 945 OG SER A 68 7.232 1.013 6.400 1.00 0.00 O ATOM 0 H SER A 68 5.326 1.833 5.284 1.00 0.00 H new ATOM 0 HA SER A 68 7.386 0.850 3.477 1.00 0.00 H new ATOM 0 HB2 SER A 68 6.357 -0.747 5.774 1.00 0.00 H new ATOM 0 HB3 SER A 68 8.006 -0.501 5.233 1.00 0.00 H new ATOM 0 HG SER A 68 7.761 1.749 6.027 1.00 0.00 H new ATOM 951 N LEU A 69 6.155 -1.047 2.431 1.00 0.00 N ATOM 952 CA LEU A 69 5.398 -2.059 1.741 1.00 0.00 C ATOM 953 C LEU A 69 6.176 -3.362 1.663 1.00 0.00 C ATOM 954 O LEU A 69 7.345 -3.376 1.269 1.00 0.00 O ATOM 955 CB LEU A 69 5.050 -1.583 0.357 1.00 0.00 C ATOM 956 CG LEU A 69 4.404 -0.204 0.293 1.00 0.00 C ATOM 957 CD1 LEU A 69 5.392 0.829 -0.213 1.00 0.00 C ATOM 958 CD2 LEU A 69 3.172 -0.254 -0.579 1.00 0.00 C ATOM 0 H LEU A 69 7.088 -0.879 2.054 1.00 0.00 H new ATOM 0 HA LEU A 69 4.481 -2.243 2.301 1.00 0.00 H new ATOM 0 HB2 LEU A 69 5.958 -1.570 -0.246 1.00 0.00 H new ATOM 0 HB3 LEU A 69 4.374 -2.306 -0.100 1.00 0.00 H new ATOM 0 HG LEU A 69 4.104 0.093 1.298 1.00 0.00 H new ATOM 0 HD11 LEU A 69 4.910 1.806 -0.251 1.00 0.00 H new ATOM 0 HD12 LEU A 69 6.249 0.873 0.459 1.00 0.00 H new ATOM 0 HD13 LEU A 69 5.729 0.552 -1.212 1.00 0.00 H new ATOM 0 HD21 LEU A 69 2.715 0.735 -0.620 1.00 0.00 H new ATOM 0 HD22 LEU A 69 3.451 -0.567 -1.585 1.00 0.00 H new ATOM 0 HD23 LEU A 69 2.460 -0.966 -0.162 1.00 0.00 H new ATOM 970 N THR A 70 5.535 -4.447 2.072 1.00 0.00 N ATOM 971 CA THR A 70 6.158 -5.762 2.068 1.00 0.00 C ATOM 972 C THR A 70 5.100 -6.862 1.906 1.00 0.00 C ATOM 973 O THR A 70 3.975 -6.705 2.379 1.00 0.00 O ATOM 974 CB THR A 70 6.924 -5.978 3.384 1.00 0.00 C ATOM 975 OG1 THR A 70 7.827 -4.892 3.612 1.00 0.00 O ATOM 976 CG2 THR A 70 7.701 -7.274 3.352 1.00 0.00 C ATOM 0 H THR A 70 4.574 -4.441 2.414 1.00 0.00 H new ATOM 0 HA THR A 70 6.850 -5.814 1.227 1.00 0.00 H new ATOM 0 HB THR A 70 6.195 -6.025 4.193 1.00 0.00 H new ATOM 0 HG1 THR A 70 8.190 -4.953 4.520 1.00 0.00 H new ATOM 0 HG21 THR A 70 8.233 -7.402 4.294 1.00 0.00 H new ATOM 0 HG22 THR A 70 7.013 -8.107 3.207 1.00 0.00 H new ATOM 0 HG23 THR A 70 8.418 -7.248 2.531 1.00 0.00 H new ATOM 984 N GLY A 71 5.440 -7.963 1.240 1.00 0.00 N ATOM 985 CA GLY A 71 4.489 -9.056 1.107 1.00 0.00 C ATOM 986 C GLY A 71 4.900 -10.076 0.063 1.00 0.00 C ATOM 987 O GLY A 71 6.062 -10.463 -0.016 1.00 0.00 O ATOM 0 H GLY A 71 6.345 -8.118 0.795 1.00 0.00 H new ATOM 0 HA2 GLY A 71 4.380 -9.554 2.070 1.00 0.00 H new ATOM 0 HA3 GLY A 71 3.512 -8.650 0.845 1.00 0.00 H new ATOM 991 N ALA A 72 3.937 -10.526 -0.723 1.00 0.00 N ATOM 992 CA ALA A 72 4.201 -11.452 -1.816 1.00 0.00 C ATOM 993 C ALA A 72 4.492 -10.663 -3.089 1.00 0.00 C ATOM 994 O ALA A 72 4.153 -9.489 -3.158 1.00 0.00 O ATOM 995 CB ALA A 72 3.010 -12.377 -2.005 1.00 0.00 C ATOM 0 H ALA A 72 2.956 -10.263 -0.625 1.00 0.00 H new ATOM 0 HA ALA A 72 5.072 -12.064 -1.582 1.00 0.00 H new ATOM 0 HB1 ALA A 72 3.212 -13.068 -2.824 1.00 0.00 H new ATOM 0 HB2 ALA A 72 2.838 -12.941 -1.088 1.00 0.00 H new ATOM 0 HB3 ALA A 72 2.124 -11.786 -2.239 1.00 0.00 H new ATOM 1001 N PRO A 73 5.123 -11.284 -4.108 1.00 0.00 N ATOM 1002 CA PRO A 73 5.526 -10.579 -5.336 1.00 0.00 C ATOM 1003 C PRO A 73 4.395 -9.759 -5.953 1.00 0.00 C ATOM 1004 O PRO A 73 4.516 -8.543 -6.125 1.00 0.00 O ATOM 1005 CB PRO A 73 5.930 -11.713 -6.279 1.00 0.00 C ATOM 1006 CG PRO A 73 6.347 -12.826 -5.382 1.00 0.00 C ATOM 1007 CD PRO A 73 5.496 -12.713 -4.148 1.00 0.00 C ATOM 0 HA PRO A 73 6.318 -9.857 -5.139 1.00 0.00 H new ATOM 0 HB2 PRO A 73 5.099 -12.011 -6.918 1.00 0.00 H new ATOM 0 HB3 PRO A 73 6.744 -11.409 -6.937 1.00 0.00 H new ATOM 0 HG2 PRO A 73 6.203 -13.791 -5.867 1.00 0.00 H new ATOM 0 HG3 PRO A 73 7.405 -12.749 -5.133 1.00 0.00 H new ATOM 0 HD2 PRO A 73 4.617 -13.355 -4.208 1.00 0.00 H new ATOM 0 HD3 PRO A 73 6.046 -13.008 -3.254 1.00 0.00 H new ATOM 1015 N GLU A 74 3.291 -10.429 -6.253 1.00 0.00 N ATOM 1016 CA GLU A 74 2.145 -9.786 -6.878 1.00 0.00 C ATOM 1017 C GLU A 74 1.492 -8.806 -5.913 1.00 0.00 C ATOM 1018 O GLU A 74 1.056 -7.720 -6.304 1.00 0.00 O ATOM 1019 CB GLU A 74 1.136 -10.850 -7.317 1.00 0.00 C ATOM 1020 CG GLU A 74 -0.116 -10.289 -7.966 1.00 0.00 C ATOM 1021 CD GLU A 74 -1.130 -11.366 -8.284 1.00 0.00 C ATOM 1022 OE1 GLU A 74 -1.713 -11.936 -7.337 1.00 0.00 O ATOM 1023 OE2 GLU A 74 -1.358 -11.643 -9.482 1.00 0.00 O ATOM 0 H GLU A 74 3.165 -11.425 -6.072 1.00 0.00 H new ATOM 0 HA GLU A 74 2.483 -9.230 -7.753 1.00 0.00 H new ATOM 0 HB2 GLU A 74 1.622 -11.529 -8.018 1.00 0.00 H new ATOM 0 HB3 GLU A 74 0.848 -11.442 -6.448 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -0.568 -9.552 -7.302 1.00 0.00 H new ATOM 0 HG3 GLU A 74 0.156 -9.767 -8.883 1.00 0.00 H new ATOM 1030 N SER A 75 1.457 -9.191 -4.649 1.00 0.00 N ATOM 1031 CA SER A 75 0.801 -8.412 -3.619 1.00 0.00 C ATOM 1032 C SER A 75 1.538 -7.102 -3.357 1.00 0.00 C ATOM 1033 O SER A 75 0.932 -6.031 -3.333 1.00 0.00 O ATOM 1034 CB SER A 75 0.730 -9.249 -2.344 1.00 0.00 C ATOM 1035 OG SER A 75 0.327 -10.577 -2.644 1.00 0.00 O ATOM 0 H SER A 75 1.883 -10.053 -4.310 1.00 0.00 H new ATOM 0 HA SER A 75 -0.204 -8.155 -3.953 1.00 0.00 H new ATOM 0 HB2 SER A 75 1.704 -9.260 -1.854 1.00 0.00 H new ATOM 0 HB3 SER A 75 0.026 -8.798 -1.644 1.00 0.00 H new ATOM 0 HG SER A 75 -0.648 -10.646 -2.577 1.00 0.00 H new ATOM 1041 N VAL A 76 2.850 -7.190 -3.186 1.00 0.00 N ATOM 1042 CA VAL A 76 3.643 -6.034 -2.817 1.00 0.00 C ATOM 1043 C VAL A 76 3.712 -5.025 -3.962 1.00 0.00 C ATOM 1044 O VAL A 76 3.728 -3.818 -3.733 1.00 0.00 O ATOM 1045 CB VAL A 76 5.073 -6.435 -2.363 1.00 0.00 C ATOM 1046 CG1 VAL A 76 5.958 -6.811 -3.541 1.00 0.00 C ATOM 1047 CG2 VAL A 76 5.694 -5.319 -1.541 1.00 0.00 C ATOM 0 H VAL A 76 3.384 -8.052 -3.298 1.00 0.00 H new ATOM 0 HA VAL A 76 3.144 -5.563 -1.970 1.00 0.00 H new ATOM 0 HB VAL A 76 4.990 -7.323 -1.737 1.00 0.00 H new ATOM 0 HG11 VAL A 76 6.949 -7.085 -3.179 1.00 0.00 H new ATOM 0 HG12 VAL A 76 5.519 -7.656 -4.071 1.00 0.00 H new ATOM 0 HG13 VAL A 76 6.041 -5.962 -4.219 1.00 0.00 H new ATOM 0 HG21 VAL A 76 6.696 -5.612 -1.228 1.00 0.00 H new ATOM 0 HG22 VAL A 76 5.752 -4.412 -2.143 1.00 0.00 H new ATOM 0 HG23 VAL A 76 5.080 -5.131 -0.660 1.00 0.00 H new ATOM 1057 N GLN A 77 3.719 -5.518 -5.196 1.00 0.00 N ATOM 1058 CA GLN A 77 3.799 -4.642 -6.353 1.00 0.00 C ATOM 1059 C GLN A 77 2.473 -3.925 -6.570 1.00 0.00 C ATOM 1060 O GLN A 77 2.447 -2.766 -6.972 1.00 0.00 O ATOM 1061 CB GLN A 77 4.199 -5.424 -7.604 1.00 0.00 C ATOM 1062 CG GLN A 77 4.478 -4.533 -8.804 1.00 0.00 C ATOM 1063 CD GLN A 77 5.583 -3.526 -8.543 1.00 0.00 C ATOM 1064 OE1 GLN A 77 6.514 -3.785 -7.778 1.00 0.00 O ATOM 1065 NE2 GLN A 77 5.480 -2.364 -9.164 1.00 0.00 N ATOM 0 H GLN A 77 3.671 -6.513 -5.417 1.00 0.00 H new ATOM 0 HA GLN A 77 4.570 -3.895 -6.162 1.00 0.00 H new ATOM 0 HB2 GLN A 77 5.087 -6.017 -7.385 1.00 0.00 H new ATOM 0 HB3 GLN A 77 3.403 -6.124 -7.857 1.00 0.00 H new ATOM 0 HG2 GLN A 77 4.753 -5.154 -9.656 1.00 0.00 H new ATOM 0 HG3 GLN A 77 3.566 -4.002 -9.077 1.00 0.00 H new ATOM 0 HE21 GLN A 77 4.694 -2.188 -9.790 1.00 0.00 H new ATOM 0 HE22 GLN A 77 6.187 -1.643 -9.018 1.00 0.00 H new ATOM 1074 N LYS A 78 1.376 -4.619 -6.286 1.00 0.00 N ATOM 1075 CA LYS A 78 0.042 -4.027 -6.374 1.00 0.00 C ATOM 1076 C LYS A 78 -0.064 -2.842 -5.415 1.00 0.00 C ATOM 1077 O LYS A 78 -0.539 -1.760 -5.778 1.00 0.00 O ATOM 1078 CB LYS A 78 -1.014 -5.084 -6.029 1.00 0.00 C ATOM 1079 CG LYS A 78 -2.453 -4.578 -5.993 1.00 0.00 C ATOM 1080 CD LYS A 78 -3.067 -4.441 -7.378 1.00 0.00 C ATOM 1081 CE LYS A 78 -2.739 -3.109 -8.028 1.00 0.00 C ATOM 1082 NZ LYS A 78 -3.597 -2.857 -9.215 1.00 0.00 N ATOM 0 H LYS A 78 1.383 -5.596 -5.992 1.00 0.00 H new ATOM 0 HA LYS A 78 -0.130 -3.672 -7.390 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -0.948 -5.892 -6.758 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -0.772 -5.512 -5.056 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -3.059 -5.262 -5.399 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -2.480 -3.611 -5.492 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -2.707 -5.250 -8.013 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -4.149 -4.550 -7.305 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -2.874 -2.306 -7.303 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -1.691 -3.097 -8.326 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -3.059 -2.319 -9.924 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -3.898 -3.764 -9.624 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -4.435 -2.311 -8.928 1.00 0.00 H new ATOM 1096 N ALA A 79 0.412 -3.056 -4.195 1.00 0.00 N ATOM 1097 CA ALA A 79 0.394 -2.032 -3.165 1.00 0.00 C ATOM 1098 C ALA A 79 1.277 -0.844 -3.546 1.00 0.00 C ATOM 1099 O ALA A 79 0.941 0.307 -3.278 1.00 0.00 O ATOM 1100 CB ALA A 79 0.858 -2.631 -1.850 1.00 0.00 C ATOM 0 H ALA A 79 0.819 -3.942 -3.895 1.00 0.00 H new ATOM 0 HA ALA A 79 -0.627 -1.665 -3.060 1.00 0.00 H new ATOM 0 HB1 ALA A 79 0.845 -1.864 -1.076 1.00 0.00 H new ATOM 0 HB2 ALA A 79 0.191 -3.445 -1.565 1.00 0.00 H new ATOM 0 HB3 ALA A 79 1.872 -3.015 -1.963 1.00 0.00 H new ATOM 1106 N LYS A 80 2.392 -1.131 -4.207 1.00 0.00 N ATOM 1107 CA LYS A 80 3.359 -0.097 -4.557 1.00 0.00 C ATOM 1108 C LYS A 80 2.903 0.629 -5.803 1.00 0.00 C ATOM 1109 O LYS A 80 3.301 1.761 -6.062 1.00 0.00 O ATOM 1110 CB LYS A 80 4.750 -0.689 -4.788 1.00 0.00 C ATOM 1111 CG LYS A 80 5.416 -1.220 -3.530 1.00 0.00 C ATOM 1112 CD LYS A 80 6.855 -1.640 -3.801 1.00 0.00 C ATOM 1113 CE LYS A 80 6.934 -2.789 -4.793 1.00 0.00 C ATOM 1114 NZ LYS A 80 8.332 -3.047 -5.235 1.00 0.00 N ATOM 0 H LYS A 80 2.649 -2.070 -4.511 1.00 0.00 H new ATOM 0 HA LYS A 80 3.421 0.602 -3.723 1.00 0.00 H new ATOM 0 HB2 LYS A 80 4.672 -1.498 -5.514 1.00 0.00 H new ATOM 0 HB3 LYS A 80 5.389 0.075 -5.230 1.00 0.00 H new ATOM 0 HG2 LYS A 80 5.398 -0.453 -2.755 1.00 0.00 H new ATOM 0 HG3 LYS A 80 4.852 -2.071 -3.149 1.00 0.00 H new ATOM 0 HD2 LYS A 80 7.415 -0.788 -4.187 1.00 0.00 H new ATOM 0 HD3 LYS A 80 7.329 -1.935 -2.865 1.00 0.00 H new ATOM 0 HE2 LYS A 80 6.525 -3.691 -4.337 1.00 0.00 H new ATOM 0 HE3 LYS A 80 6.315 -2.562 -5.661 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 8.395 -2.942 -6.268 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 8.972 -2.366 -4.778 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 8.608 -4.014 -4.968 1.00 0.00 H new ATOM 1128 N MET A 81 2.072 -0.045 -6.573 1.00 0.00 N ATOM 1129 CA MET A 81 1.485 0.526 -7.755 1.00 0.00 C ATOM 1130 C MET A 81 0.560 1.682 -7.386 1.00 0.00 C ATOM 1131 O MET A 81 0.609 2.747 -8.007 1.00 0.00 O ATOM 1132 CB MET A 81 0.740 -0.570 -8.515 1.00 0.00 C ATOM 1133 CG MET A 81 -0.265 -0.039 -9.500 1.00 0.00 C ATOM 1134 SD MET A 81 -0.992 -1.329 -10.528 1.00 0.00 S ATOM 1135 CE MET A 81 -2.041 -0.349 -11.601 1.00 0.00 C ATOM 0 H MET A 81 1.788 -1.007 -6.390 1.00 0.00 H new ATOM 0 HA MET A 81 2.265 0.932 -8.399 1.00 0.00 H new ATOM 0 HB2 MET A 81 1.463 -1.190 -9.044 1.00 0.00 H new ATOM 0 HB3 MET A 81 0.230 -1.215 -7.800 1.00 0.00 H new ATOM 0 HG2 MET A 81 -1.058 0.477 -8.959 1.00 0.00 H new ATOM 0 HG3 MET A 81 0.217 0.700 -10.140 1.00 0.00 H new ATOM 0 HE1 MET A 81 -2.562 -1.005 -12.299 1.00 0.00 H new ATOM 0 HE2 MET A 81 -2.770 0.194 -11.000 1.00 0.00 H new ATOM 0 HE3 MET A 81 -1.430 0.361 -12.158 1.00 0.00 H new ATOM 1145 N MET A 82 -0.266 1.486 -6.358 1.00 0.00 N ATOM 1146 CA MET A 82 -1.142 2.561 -5.899 1.00 0.00 C ATOM 1147 C MET A 82 -0.324 3.622 -5.162 1.00 0.00 C ATOM 1148 O MET A 82 -0.676 4.802 -5.159 1.00 0.00 O ATOM 1149 CB MET A 82 -2.301 2.019 -5.027 1.00 0.00 C ATOM 1150 CG MET A 82 -1.942 1.621 -3.596 1.00 0.00 C ATOM 1151 SD MET A 82 -1.725 3.024 -2.485 1.00 0.00 S ATOM 1152 CE MET A 82 -3.368 3.733 -2.519 1.00 0.00 C ATOM 0 H MET A 82 -0.346 0.612 -5.838 1.00 0.00 H new ATOM 0 HA MET A 82 -1.602 3.028 -6.770 1.00 0.00 H new ATOM 0 HB2 MET A 82 -3.082 2.778 -4.985 1.00 0.00 H new ATOM 0 HB3 MET A 82 -2.728 1.150 -5.527 1.00 0.00 H new ATOM 0 HG2 MET A 82 -2.725 0.974 -3.201 1.00 0.00 H new ATOM 0 HG3 MET A 82 -1.023 1.036 -3.611 1.00 0.00 H new ATOM 0 HE1 MET A 82 -3.699 3.932 -1.500 1.00 0.00 H new ATOM 0 HE2 MET A 82 -3.350 4.665 -3.084 1.00 0.00 H new ATOM 0 HE3 MET A 82 -4.056 3.034 -2.994 1.00 0.00 H new ATOM 1162 N LEU A 83 0.785 3.197 -4.564 1.00 0.00 N ATOM 1163 CA LEU A 83 1.686 4.113 -3.874 1.00 0.00 C ATOM 1164 C LEU A 83 2.339 5.071 -4.865 1.00 0.00 C ATOM 1165 O LEU A 83 2.237 6.290 -4.722 1.00 0.00 O ATOM 1166 CB LEU A 83 2.765 3.332 -3.112 1.00 0.00 C ATOM 1167 CG LEU A 83 2.718 3.446 -1.583 1.00 0.00 C ATOM 1168 CD1 LEU A 83 2.924 4.888 -1.144 1.00 0.00 C ATOM 1169 CD2 LEU A 83 1.401 2.912 -1.044 1.00 0.00 C ATOM 0 H LEU A 83 1.081 2.221 -4.544 1.00 0.00 H new ATOM 0 HA LEU A 83 1.101 4.693 -3.160 1.00 0.00 H new ATOM 0 HB2 LEU A 83 2.683 2.279 -3.382 1.00 0.00 H new ATOM 0 HB3 LEU A 83 3.743 3.673 -3.453 1.00 0.00 H new ATOM 0 HG LEU A 83 3.528 2.842 -1.174 1.00 0.00 H new ATOM 0 HD11 LEU A 83 2.887 4.946 -0.056 1.00 0.00 H new ATOM 0 HD12 LEU A 83 3.895 5.240 -1.493 1.00 0.00 H new ATOM 0 HD13 LEU A 83 2.138 5.513 -1.568 1.00 0.00 H new ATOM 0 HD21 LEU A 83 1.389 3.002 0.042 1.00 0.00 H new ATOM 0 HD22 LEU A 83 0.576 3.486 -1.465 1.00 0.00 H new ATOM 0 HD23 LEU A 83 1.292 1.864 -1.322 1.00 0.00 H new ATOM 1181 N ASP A 84 2.991 4.503 -5.879 1.00 0.00 N ATOM 1182 CA ASP A 84 3.656 5.286 -6.920 1.00 0.00 C ATOM 1183 C ASP A 84 2.664 6.213 -7.603 1.00 0.00 C ATOM 1184 O ASP A 84 3.020 7.298 -8.055 1.00 0.00 O ATOM 1185 CB ASP A 84 4.303 4.358 -7.959 1.00 0.00 C ATOM 1186 CG ASP A 84 5.020 5.115 -9.067 1.00 0.00 C ATOM 1187 OD1 ASP A 84 6.206 5.466 -8.886 1.00 0.00 O ATOM 1188 OD2 ASP A 84 4.403 5.354 -10.130 1.00 0.00 O ATOM 0 H ASP A 84 3.073 3.494 -6.002 1.00 0.00 H new ATOM 0 HA ASP A 84 4.435 5.887 -6.450 1.00 0.00 H new ATOM 0 HB2 ASP A 84 5.013 3.700 -7.458 1.00 0.00 H new ATOM 0 HB3 ASP A 84 3.535 3.722 -8.399 1.00 0.00 H new ATOM 1193 N ASP A 85 1.411 5.778 -7.655 1.00 0.00 N ATOM 1194 CA ASP A 85 0.350 6.549 -8.286 1.00 0.00 C ATOM 1195 C ASP A 85 0.147 7.895 -7.579 1.00 0.00 C ATOM 1196 O ASP A 85 0.339 8.962 -8.171 1.00 0.00 O ATOM 1197 CB ASP A 85 -0.954 5.746 -8.268 1.00 0.00 C ATOM 1198 CG ASP A 85 -1.957 6.233 -9.292 1.00 0.00 C ATOM 1199 OD1 ASP A 85 -2.499 7.342 -9.125 1.00 0.00 O ATOM 1200 OD2 ASP A 85 -2.213 5.497 -10.270 1.00 0.00 O ATOM 0 H ASP A 85 1.104 4.887 -7.264 1.00 0.00 H new ATOM 0 HA ASP A 85 0.640 6.750 -9.317 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -0.731 4.696 -8.455 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -1.398 5.805 -7.274 1.00 0.00 H new ATOM 1205 N ILE A 86 -0.202 7.838 -6.301 1.00 0.00 N ATOM 1206 CA ILE A 86 -0.512 9.047 -5.543 1.00 0.00 C ATOM 1207 C ILE A 86 0.751 9.844 -5.232 1.00 0.00 C ATOM 1208 O ILE A 86 0.749 11.073 -5.268 1.00 0.00 O ATOM 1209 CB ILE A 86 -1.291 8.725 -4.241 1.00 0.00 C ATOM 1210 CG1 ILE A 86 -2.753 8.418 -4.562 1.00 0.00 C ATOM 1211 CG2 ILE A 86 -1.207 9.865 -3.239 1.00 0.00 C ATOM 1212 CD1 ILE A 86 -2.967 7.090 -5.254 1.00 0.00 C ATOM 0 H ILE A 86 -0.278 6.972 -5.767 1.00 0.00 H new ATOM 0 HA ILE A 86 -1.157 9.662 -6.171 1.00 0.00 H new ATOM 0 HB ILE A 86 -0.828 7.848 -3.789 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -3.328 8.430 -3.636 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -3.150 9.213 -5.193 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -1.765 9.602 -2.340 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -0.164 10.045 -2.979 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -1.632 10.768 -3.678 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -4.030 6.947 -5.447 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -2.422 7.080 -6.198 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -2.603 6.285 -4.616 1.00 0.00 H new ATOM 1224 N VAL A 87 1.845 9.155 -4.961 1.00 0.00 N ATOM 1225 CA VAL A 87 3.102 9.842 -4.712 1.00 0.00 C ATOM 1226 C VAL A 87 3.585 10.537 -5.986 1.00 0.00 C ATOM 1227 O VAL A 87 4.346 11.497 -5.929 1.00 0.00 O ATOM 1228 CB VAL A 87 4.182 8.886 -4.162 1.00 0.00 C ATOM 1229 CG1 VAL A 87 5.514 9.605 -3.994 1.00 0.00 C ATOM 1230 CG2 VAL A 87 3.738 8.310 -2.830 1.00 0.00 C ATOM 0 H VAL A 87 1.891 8.137 -4.908 1.00 0.00 H new ATOM 0 HA VAL A 87 2.923 10.596 -3.945 1.00 0.00 H new ATOM 0 HB VAL A 87 4.316 8.077 -4.880 1.00 0.00 H new ATOM 0 HG11 VAL A 87 6.257 8.909 -3.605 1.00 0.00 H new ATOM 0 HG12 VAL A 87 5.845 9.987 -4.959 1.00 0.00 H new ATOM 0 HG13 VAL A 87 5.394 10.434 -3.297 1.00 0.00 H new ATOM 0 HG21 VAL A 87 4.507 7.637 -2.450 1.00 0.00 H new ATOM 0 HG22 VAL A 87 3.581 9.120 -2.118 1.00 0.00 H new ATOM 0 HG23 VAL A 87 2.807 7.759 -2.964 1.00 0.00 H new ATOM 1240 N SER A 88 3.108 10.078 -7.135 1.00 0.00 N ATOM 1241 CA SER A 88 3.414 10.739 -8.396 1.00 0.00 C ATOM 1242 C SER A 88 2.656 12.060 -8.493 1.00 0.00 C ATOM 1243 O SER A 88 3.205 13.063 -8.944 1.00 0.00 O ATOM 1244 CB SER A 88 3.061 9.839 -9.586 1.00 0.00 C ATOM 1245 OG SER A 88 3.465 10.421 -10.816 1.00 0.00 O ATOM 0 H SER A 88 2.511 9.255 -7.220 1.00 0.00 H new ATOM 0 HA SER A 88 4.485 10.939 -8.426 1.00 0.00 H new ATOM 0 HB2 SER A 88 3.543 8.869 -9.466 1.00 0.00 H new ATOM 0 HB3 SER A 88 1.986 9.661 -9.602 1.00 0.00 H new ATOM 0 HG SER A 88 3.227 9.823 -11.555 1.00 0.00 H new ATOM 1251 N ARG A 89 1.395 12.068 -8.052 1.00 0.00 N ATOM 1252 CA ARG A 89 0.593 13.291 -8.102 1.00 0.00 C ATOM 1253 C ARG A 89 1.070 14.296 -7.050 1.00 0.00 C ATOM 1254 O ARG A 89 0.747 15.481 -7.120 1.00 0.00 O ATOM 1255 CB ARG A 89 -0.904 13.004 -7.895 1.00 0.00 C ATOM 1256 CG ARG A 89 -1.301 12.758 -6.447 1.00 0.00 C ATOM 1257 CD ARG A 89 -2.800 12.878 -6.243 1.00 0.00 C ATOM 1258 NE ARG A 89 -3.529 11.761 -6.833 1.00 0.00 N ATOM 1259 CZ ARG A 89 -4.827 11.544 -6.653 1.00 0.00 C ATOM 1260 NH1 ARG A 89 -5.567 12.408 -5.969 1.00 0.00 N ATOM 1261 NH2 ARG A 89 -5.397 10.469 -7.183 1.00 0.00 N ATOM 0 H ARG A 89 0.915 11.256 -7.663 1.00 0.00 H new ATOM 0 HA ARG A 89 0.725 13.716 -9.097 1.00 0.00 H new ATOM 0 HB2 ARG A 89 -1.480 13.846 -8.279 1.00 0.00 H new ATOM 0 HB3 ARG A 89 -1.180 12.132 -8.488 1.00 0.00 H new ATOM 0 HG2 ARG A 89 -0.972 11.764 -6.144 1.00 0.00 H new ATOM 0 HG3 ARG A 89 -0.789 13.473 -5.804 1.00 0.00 H new ATOM 0 HD2 ARG A 89 -3.017 12.927 -5.176 1.00 0.00 H new ATOM 0 HD3 ARG A 89 -3.151 13.811 -6.683 1.00 0.00 H new ATOM 0 HE ARG A 89 -3.011 11.107 -7.419 1.00 0.00 H new ATOM 0 HH11 ARG A 89 -5.140 13.247 -5.577 1.00 0.00 H new ATOM 0 HH12 ARG A 89 -6.563 12.233 -5.836 1.00 0.00 H new ATOM 0 HH21 ARG A 89 -4.838 9.812 -7.727 1.00 0.00 H new ATOM 0 HH22 ARG A 89 -6.394 10.300 -7.046 1.00 0.00 H new ATOM 1275 N GLY A 90 1.829 13.813 -6.069 1.00 0.00 N ATOM 1276 CA GLY A 90 2.312 14.678 -5.008 1.00 0.00 C ATOM 1277 C GLY A 90 3.750 15.119 -5.200 1.00 0.00 C ATOM 1278 O GLY A 90 4.065 16.305 -5.100 1.00 0.00 O ATOM 0 H GLY A 90 2.118 12.838 -5.991 1.00 0.00 H new ATOM 0 HA2 GLY A 90 1.674 15.560 -4.949 1.00 0.00 H new ATOM 0 HA3 GLY A 90 2.224 14.156 -4.055 1.00 0.00 H new ATOM 1282 N ARG A 91 4.624 14.166 -5.474 1.00 0.00 N ATOM 1283 CA ARG A 91 6.044 14.449 -5.621 1.00 0.00 C ATOM 1284 C ARG A 91 6.455 14.394 -7.089 1.00 0.00 C ATOM 1285 O ARG A 91 7.599 14.070 -7.415 1.00 0.00 O ATOM 1286 CB ARG A 91 6.880 13.462 -4.798 1.00 0.00 C ATOM 1287 CG ARG A 91 6.688 13.606 -3.299 1.00 0.00 C ATOM 1288 CD ARG A 91 7.818 12.945 -2.524 1.00 0.00 C ATOM 1289 NE ARG A 91 9.096 13.616 -2.755 1.00 0.00 N ATOM 1290 CZ ARG A 91 9.884 14.074 -1.781 1.00 0.00 C ATOM 1291 NH1 ARG A 91 9.549 13.897 -0.505 1.00 0.00 N ATOM 1292 NH2 ARG A 91 11.012 14.700 -2.082 1.00 0.00 N ATOM 0 H ARG A 91 4.375 13.185 -5.600 1.00 0.00 H new ATOM 0 HA ARG A 91 6.229 15.456 -5.247 1.00 0.00 H new ATOM 0 HB2 ARG A 91 6.621 12.445 -5.093 1.00 0.00 H new ATOM 0 HB3 ARG A 91 7.934 13.604 -5.036 1.00 0.00 H new ATOM 0 HG2 ARG A 91 6.637 14.663 -3.038 1.00 0.00 H new ATOM 0 HG3 ARG A 91 5.737 13.159 -3.009 1.00 0.00 H new ATOM 0 HD2 ARG A 91 7.586 12.960 -1.459 1.00 0.00 H new ATOM 0 HD3 ARG A 91 7.898 11.899 -2.818 1.00 0.00 H new ATOM 0 HE ARG A 91 9.404 13.742 -3.719 1.00 0.00 H new ATOM 0 HH11 ARG A 91 8.686 13.409 -0.267 1.00 0.00 H new ATOM 0 HH12 ARG A 91 10.156 14.250 0.235 1.00 0.00 H new ATOM 0 HH21 ARG A 91 11.277 14.832 -3.058 1.00 0.00 H new ATOM 0 HH22 ARG A 91 11.615 15.050 -1.338 1.00 0.00 H new