USER MOD reduce.3.24.130724 H: found=0, std=0, add=840, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 840 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 118 SER OG : rot 51:sc= -0.626! USER MOD Set 1.2: A 120 TYR OH : rot 72:sc= 0.374 USER MOD Set 2.1: A 101 SER OG : rot 76:sc= 0.635 USER MOD Set 2.2: A 112 LYS NZ :NH3+ 144:sc= -0.12 (180deg=-0.934) USER MOD Set 3.1: A 88 ASN : amide:sc= -7.31! C(o=-9.4!,f=-4!) USER MOD Set 3.2: A 89 SER OG : rot 84:sc= -2.12! USER MOD Single : A 18 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 23 TYR OH : rot 110:sc= -1.62! USER MOD Single : A 28 SER OG : rot 180:sc= -0.0326 USER MOD Single : A 33 ASN : amide:sc= 0 X(o=0,f=-0.077) USER MOD Single : A 35 LYS NZ :NH3+ -168:sc= 0 (180deg=-0.0939) USER MOD Single : A 39 THR OG1 : rot 107:sc= -0.614 USER MOD Single : A 43 THR OG1 : rot -80:sc= -0.395 USER MOD Single : A 50 SER OG : rot -66:sc= 0.637 USER MOD Single : A 51 THR OG1 : rot 180:sc= 0.177 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 54 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 57 TYR OH : rot -101:sc= 0.0795 USER MOD Single : A 58 THR OG1 : rot 21:sc= 0.241 USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 63 LYS NZ :NH3+ 151:sc= -0.334 (180deg=-1.55!) USER MOD Single : A 66 ASN : amide:sc= -0.953 K(o=-0.95,f=-0.018) USER MOD Single : A 67 ASN : amide:sc= -0.801 K(o=-0.8,f=-5.4!) USER MOD Single : A 68 LYS NZ :NH3+ 161:sc= -0.223 (180deg=-0.95) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 HIS : no HE2:sc= -11.5! C(o=-12!,f=-17!) USER MOD Single : A 78 LYS NZ :NH3+ 158:sc= -0.0479 (180deg=-0.526) USER MOD Single : A 79 TYR OH : rot 180:sc= 0 USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 86 THR OG1 : rot -42:sc= 0.897 USER MOD Single : A 95 ASN : amide:sc= -2.62! K(o=-2.6!,f=-0.85) USER MOD Single : A 96 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 97 TYR OH : rot 180:sc= 0 USER MOD Single : A 99 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 104 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 105 TYR OH : rot -21:sc= -0.0198 USER MOD Single : A 106 ASN : amide:sc= 0 X(o=0,f=-0.065) USER MOD Single : A 108 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 115 TYR OH : rot 180:sc= 0 USER MOD Single : A 119 LYS NZ :NH3+ -165:sc= -0.0863 (180deg=-0.583) USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 17 1.503 -8.611 -14.933 1.00 0.00 N ATOM 2 CA LEU A 17 2.476 -8.081 -13.945 1.00 0.00 C ATOM 3 C LEU A 17 3.857 -8.650 -14.234 1.00 0.00 C ATOM 4 O LEU A 17 4.492 -9.219 -13.377 1.00 0.00 O ATOM 5 CB LEU A 17 2.041 -8.489 -12.515 1.00 0.00 C ATOM 6 CG LEU A 17 2.780 -7.622 -11.453 1.00 0.00 C ATOM 7 CD1 LEU A 17 1.759 -6.846 -10.594 1.00 0.00 C ATOM 8 CD2 LEU A 17 3.584 -8.539 -10.535 1.00 0.00 C ATOM 0 HA LEU A 17 2.507 -6.994 -14.019 1.00 0.00 H new ATOM 0 HB2 LEU A 17 0.963 -8.366 -12.407 1.00 0.00 H new ATOM 0 HB3 LEU A 17 2.260 -9.544 -12.349 1.00 0.00 H new ATOM 0 HG LEU A 17 3.435 -6.918 -11.965 1.00 0.00 H new ATOM 0 HD11 LEU A 17 2.288 -6.244 -9.855 1.00 0.00 H new ATOM 0 HD12 LEU A 17 1.165 -6.195 -11.235 1.00 0.00 H new ATOM 0 HD13 LEU A 17 1.102 -7.551 -10.084 1.00 0.00 H new ATOM 0 HD21 LEU A 17 4.105 -7.940 -9.788 1.00 0.00 H new ATOM 0 HD22 LEU A 17 2.910 -9.236 -10.036 1.00 0.00 H new ATOM 0 HD23 LEU A 17 4.312 -9.097 -11.124 1.00 0.00 H new ATOM 22 N GLN A 18 4.291 -8.492 -15.450 1.00 0.00 N ATOM 23 CA GLN A 18 5.629 -9.014 -15.816 1.00 0.00 C ATOM 24 C GLN A 18 6.675 -8.289 -15.004 1.00 0.00 C ATOM 25 O GLN A 18 7.746 -8.800 -14.740 1.00 0.00 O ATOM 26 CB GLN A 18 5.884 -8.731 -17.311 1.00 0.00 C ATOM 27 CG GLN A 18 4.716 -9.268 -18.147 1.00 0.00 C ATOM 28 CD GLN A 18 4.808 -8.699 -19.564 1.00 0.00 C ATOM 29 OE1 GLN A 18 3.917 -8.016 -20.028 1.00 0.00 O ATOM 30 NE2 GLN A 18 5.866 -8.952 -20.283 1.00 0.00 N ATOM 0 H GLN A 18 3.780 -8.027 -16.200 1.00 0.00 H new ATOM 0 HA GLN A 18 5.676 -10.086 -15.622 1.00 0.00 H new ATOM 0 HB2 GLN A 18 5.997 -7.659 -17.474 1.00 0.00 H new ATOM 0 HB3 GLN A 18 6.815 -9.201 -17.626 1.00 0.00 H new ATOM 0 HG2 GLN A 18 4.745 -10.357 -18.177 1.00 0.00 H new ATOM 0 HG3 GLN A 18 3.767 -8.987 -17.690 1.00 0.00 H new ATOM 0 HE21 GLN A 18 6.618 -9.525 -19.900 1.00 0.00 H new ATOM 0 HE22 GLN A 18 5.942 -8.577 -21.229 1.00 0.00 H new ATOM 39 N ASP A 19 6.327 -7.103 -14.631 1.00 0.00 N ATOM 40 CA ASP A 19 7.236 -6.271 -13.832 1.00 0.00 C ATOM 41 C ASP A 19 6.471 -5.106 -13.248 1.00 0.00 C ATOM 42 O ASP A 19 6.883 -4.506 -12.276 1.00 0.00 O ATOM 43 CB ASP A 19 8.311 -5.726 -14.757 1.00 0.00 C ATOM 44 CG ASP A 19 9.693 -6.007 -14.160 1.00 0.00 C ATOM 45 OD1 ASP A 19 10.007 -5.342 -13.185 1.00 0.00 O ATOM 46 OD2 ASP A 19 10.357 -6.868 -14.712 1.00 0.00 O ATOM 0 H ASP A 19 5.431 -6.668 -14.852 1.00 0.00 H new ATOM 0 HA ASP A 19 7.674 -6.862 -13.028 1.00 0.00 H new ATOM 0 HB2 ASP A 19 8.228 -6.189 -15.740 1.00 0.00 H new ATOM 0 HB3 ASP A 19 8.175 -4.654 -14.897 1.00 0.00 H new ATOM 51 N ALA A 20 5.354 -4.821 -13.865 1.00 0.00 N ATOM 52 CA ALA A 20 4.494 -3.692 -13.396 1.00 0.00 C ATOM 53 C ALA A 20 5.287 -2.379 -13.379 1.00 0.00 C ATOM 54 O ALA A 20 6.481 -2.376 -13.152 1.00 0.00 O ATOM 55 CB ALA A 20 3.989 -3.994 -11.968 1.00 0.00 C ATOM 0 H ALA A 20 4.998 -5.324 -14.678 1.00 0.00 H new ATOM 0 HA ALA A 20 3.652 -3.588 -14.080 1.00 0.00 H new ATOM 0 HB1 ALA A 20 3.361 -3.172 -11.623 1.00 0.00 H new ATOM 0 HB2 ALA A 20 3.408 -4.916 -11.975 1.00 0.00 H new ATOM 0 HB3 ALA A 20 4.841 -4.107 -11.297 1.00 0.00 H new ATOM 61 N GLU A 21 4.613 -1.287 -13.625 1.00 0.00 N ATOM 62 CA GLU A 21 5.320 0.021 -13.624 1.00 0.00 C ATOM 63 C GLU A 21 5.259 0.669 -12.250 1.00 0.00 C ATOM 64 O GLU A 21 6.275 0.912 -11.631 1.00 0.00 O ATOM 65 CB GLU A 21 4.635 0.953 -14.634 1.00 0.00 C ATOM 66 CG GLU A 21 4.117 0.129 -15.813 1.00 0.00 C ATOM 67 CD GLU A 21 4.029 1.024 -17.050 1.00 0.00 C ATOM 68 OE1 GLU A 21 5.032 1.659 -17.331 1.00 0.00 O ATOM 69 OE2 GLU A 21 2.962 1.025 -17.642 1.00 0.00 O ATOM 0 H GLU A 21 3.614 -1.246 -13.824 1.00 0.00 H new ATOM 0 HA GLU A 21 6.364 -0.146 -13.890 1.00 0.00 H new ATOM 0 HB2 GLU A 21 3.811 1.483 -14.156 1.00 0.00 H new ATOM 0 HB3 GLU A 21 5.339 1.708 -14.985 1.00 0.00 H new ATOM 0 HG2 GLU A 21 4.783 -0.713 -16.005 1.00 0.00 H new ATOM 0 HG3 GLU A 21 3.137 -0.287 -15.579 1.00 0.00 H new ATOM 76 N TRP A 22 4.067 0.942 -11.799 1.00 0.00 N ATOM 77 CA TRP A 22 3.928 1.575 -10.464 1.00 0.00 C ATOM 78 C TRP A 22 4.809 0.858 -9.466 1.00 0.00 C ATOM 79 O TRP A 22 5.453 1.471 -8.636 1.00 0.00 O ATOM 80 CB TRP A 22 2.468 1.479 -10.025 1.00 0.00 C ATOM 81 CG TRP A 22 1.630 0.966 -11.211 1.00 0.00 C ATOM 82 CD1 TRP A 22 1.151 1.746 -12.159 1.00 0.00 C ATOM 83 CD2 TRP A 22 1.350 -0.295 -11.456 1.00 0.00 C ATOM 84 NE1 TRP A 22 0.557 0.895 -13.010 1.00 0.00 N ATOM 85 CE2 TRP A 22 0.641 -0.425 -12.636 1.00 0.00 C ATOM 86 CE3 TRP A 22 1.660 -1.419 -10.729 1.00 0.00 C ATOM 87 CZ2 TRP A 22 0.253 -1.669 -13.073 1.00 0.00 C ATOM 88 CZ3 TRP A 22 1.269 -2.657 -11.167 1.00 0.00 C ATOM 89 CH2 TRP A 22 0.569 -2.783 -12.334 1.00 0.00 C ATOM 0 H TRP A 22 3.194 0.756 -12.292 1.00 0.00 H new ATOM 0 HA TRP A 22 4.231 2.621 -10.516 1.00 0.00 H new ATOM 0 HB2 TRP A 22 2.372 0.804 -9.175 1.00 0.00 H new ATOM 0 HB3 TRP A 22 2.106 2.454 -9.700 1.00 0.00 H new ATOM 0 HD1 TRP A 22 1.220 2.821 -12.234 1.00 0.00 H new ATOM 0 HE1 TRP A 22 0.084 1.201 -13.860 1.00 0.00 H new ATOM 0 HE3 TRP A 22 2.215 -1.326 -9.807 1.00 0.00 H new ATOM 0 HZ2 TRP A 22 -0.299 -1.770 -13.996 1.00 0.00 H new ATOM 0 HZ3 TRP A 22 1.515 -3.535 -10.589 1.00 0.00 H new ATOM 0 HH2 TRP A 22 0.264 -3.761 -12.676 1.00 0.00 H new ATOM 100 N TYR A 23 4.820 -0.434 -9.567 1.00 0.00 N ATOM 101 CA TYR A 23 5.652 -1.234 -8.644 1.00 0.00 C ATOM 102 C TYR A 23 7.017 -1.428 -9.264 1.00 0.00 C ATOM 103 O TYR A 23 7.136 -1.786 -10.419 1.00 0.00 O ATOM 104 CB TYR A 23 4.992 -2.615 -8.423 1.00 0.00 C ATOM 105 CG TYR A 23 3.507 -2.473 -7.988 1.00 0.00 C ATOM 106 CD1 TYR A 23 3.013 -1.324 -7.355 1.00 0.00 C ATOM 107 CD2 TYR A 23 2.626 -3.506 -8.244 1.00 0.00 C ATOM 108 CE1 TYR A 23 1.683 -1.237 -7.001 1.00 0.00 C ATOM 109 CE2 TYR A 23 1.295 -3.409 -7.886 1.00 0.00 C ATOM 110 CZ TYR A 23 0.816 -2.277 -7.263 1.00 0.00 C ATOM 111 OH TYR A 23 -0.514 -2.187 -6.899 1.00 0.00 O ATOM 0 H TYR A 23 4.287 -0.971 -10.251 1.00 0.00 H new ATOM 0 HA TYR A 23 5.745 -0.719 -7.688 1.00 0.00 H new ATOM 0 HB2 TYR A 23 5.049 -3.198 -9.342 1.00 0.00 H new ATOM 0 HB3 TYR A 23 5.544 -3.166 -7.662 1.00 0.00 H new ATOM 0 HD1 TYR A 23 3.679 -0.501 -7.143 1.00 0.00 H new ATOM 0 HD2 TYR A 23 2.983 -4.402 -8.731 1.00 0.00 H new ATOM 0 HE1 TYR A 23 1.317 -0.345 -6.514 1.00 0.00 H new ATOM 0 HE2 TYR A 23 0.624 -4.228 -8.096 1.00 0.00 H new ATOM 0 HH TYR A 23 -1.068 -2.102 -7.703 1.00 0.00 H new ATOM 121 N TRP A 24 8.028 -1.192 -8.488 1.00 0.00 N ATOM 122 CA TRP A 24 9.400 -1.350 -9.012 1.00 0.00 C ATOM 123 C TRP A 24 9.894 -2.761 -8.818 1.00 0.00 C ATOM 124 O TRP A 24 10.597 -3.307 -9.647 1.00 0.00 O ATOM 125 CB TRP A 24 10.320 -0.414 -8.211 1.00 0.00 C ATOM 126 CG TRP A 24 9.932 1.072 -8.425 1.00 0.00 C ATOM 127 CD1 TRP A 24 8.754 1.512 -8.895 1.00 0.00 C ATOM 128 CD2 TRP A 24 10.708 2.075 -8.116 1.00 0.00 C ATOM 129 NE1 TRP A 24 8.869 2.845 -8.836 1.00 0.00 N ATOM 130 CE2 TRP A 24 10.087 3.285 -8.356 1.00 0.00 C ATOM 131 CE3 TRP A 24 12.004 2.051 -7.628 1.00 0.00 C ATOM 132 CZ2 TRP A 24 10.752 4.458 -8.113 1.00 0.00 C ATOM 133 CZ3 TRP A 24 12.669 3.230 -7.386 1.00 0.00 C ATOM 134 CH2 TRP A 24 12.050 4.432 -7.629 1.00 0.00 C ATOM 0 H TRP A 24 7.962 -0.897 -7.514 1.00 0.00 H new ATOM 0 HA TRP A 24 9.403 -1.117 -10.077 1.00 0.00 H new ATOM 0 HB2 TRP A 24 10.259 -0.659 -7.151 1.00 0.00 H new ATOM 0 HB3 TRP A 24 11.355 -0.570 -8.515 1.00 0.00 H new ATOM 0 HD1 TRP A 24 7.913 0.929 -9.239 1.00 0.00 H new ATOM 0 HE1 TRP A 24 8.123 3.479 -9.121 1.00 0.00 H new ATOM 0 HE3 TRP A 24 12.492 1.107 -7.438 1.00 0.00 H new ATOM 0 HZ2 TRP A 24 10.264 5.403 -8.299 1.00 0.00 H new ATOM 0 HZ3 TRP A 24 13.679 3.211 -7.004 1.00 0.00 H new ATOM 0 HH2 TRP A 24 12.575 5.357 -7.443 1.00 0.00 H new ATOM 145 N GLY A 25 9.515 -3.320 -7.731 1.00 0.00 N ATOM 146 CA GLY A 25 9.935 -4.704 -7.423 1.00 0.00 C ATOM 147 C GLY A 25 10.206 -4.804 -5.938 1.00 0.00 C ATOM 148 O GLY A 25 11.271 -5.203 -5.519 1.00 0.00 O ATOM 0 H GLY A 25 8.924 -2.879 -7.026 1.00 0.00 H new ATOM 0 HA2 GLY A 25 9.157 -5.410 -7.714 1.00 0.00 H new ATOM 0 HA3 GLY A 25 10.829 -4.963 -7.990 1.00 0.00 H new ATOM 152 N ASP A 26 9.210 -4.447 -5.178 1.00 0.00 N ATOM 153 CA ASP A 26 9.322 -4.487 -3.703 1.00 0.00 C ATOM 154 C ASP A 26 10.664 -3.923 -3.223 1.00 0.00 C ATOM 155 O ASP A 26 11.688 -4.565 -3.333 1.00 0.00 O ATOM 156 CB ASP A 26 9.171 -5.945 -3.216 1.00 0.00 C ATOM 157 CG ASP A 26 9.197 -6.919 -4.397 1.00 0.00 C ATOM 158 OD1 ASP A 26 8.199 -6.947 -5.097 1.00 0.00 O ATOM 159 OD2 ASP A 26 10.214 -7.580 -4.531 1.00 0.00 O ATOM 0 H ASP A 26 8.308 -4.124 -5.528 1.00 0.00 H new ATOM 0 HA ASP A 26 8.528 -3.866 -3.287 1.00 0.00 H new ATOM 0 HB2 ASP A 26 9.976 -6.186 -2.522 1.00 0.00 H new ATOM 0 HB3 ASP A 26 8.235 -6.055 -2.669 1.00 0.00 H new ATOM 164 N ILE A 27 10.614 -2.724 -2.668 1.00 0.00 N ATOM 165 CA ILE A 27 11.862 -2.081 -2.166 1.00 0.00 C ATOM 166 C ILE A 27 11.761 -1.810 -0.658 1.00 0.00 C ATOM 167 O ILE A 27 11.606 -2.724 0.128 1.00 0.00 O ATOM 168 CB ILE A 27 12.072 -0.743 -2.908 1.00 0.00 C ATOM 169 CG1 ILE A 27 10.784 0.135 -2.856 1.00 0.00 C ATOM 170 CG2 ILE A 27 12.471 -1.043 -4.374 1.00 0.00 C ATOM 171 CD1 ILE A 27 9.849 -0.117 -4.059 1.00 0.00 C ATOM 0 H ILE A 27 9.763 -2.174 -2.546 1.00 0.00 H new ATOM 0 HA ILE A 27 12.702 -2.751 -2.347 1.00 0.00 H new ATOM 0 HB ILE A 27 12.868 -0.181 -2.419 1.00 0.00 H new ATOM 0 HG12 ILE A 27 10.245 -0.071 -1.931 1.00 0.00 H new ATOM 0 HG13 ILE A 27 11.066 1.188 -2.833 1.00 0.00 H new ATOM 0 HG21 ILE A 27 12.622 -0.105 -4.909 1.00 0.00 H new ATOM 0 HG22 ILE A 27 13.394 -1.622 -4.389 1.00 0.00 H new ATOM 0 HG23 ILE A 27 11.678 -1.613 -4.858 1.00 0.00 H new ATOM 0 HD11 ILE A 27 8.968 0.519 -3.974 1.00 0.00 H new ATOM 0 HD12 ILE A 27 10.376 0.115 -4.984 1.00 0.00 H new ATOM 0 HD13 ILE A 27 9.542 -1.163 -4.069 1.00 0.00 H new ATOM 183 N SER A 28 11.850 -0.559 -0.283 1.00 0.00 N ATOM 184 CA SER A 28 11.762 -0.219 1.153 1.00 0.00 C ATOM 185 C SER A 28 11.500 1.270 1.332 1.00 0.00 C ATOM 186 O SER A 28 11.657 2.040 0.405 1.00 0.00 O ATOM 187 CB SER A 28 13.099 -0.573 1.823 1.00 0.00 C ATOM 188 OG SER A 28 12.842 -0.422 3.213 1.00 0.00 O ATOM 0 H SER A 28 11.979 0.233 -0.913 1.00 0.00 H new ATOM 0 HA SER A 28 10.943 -0.779 1.605 1.00 0.00 H new ATOM 0 HB2 SER A 28 13.408 -1.590 1.583 1.00 0.00 H new ATOM 0 HB3 SER A 28 13.899 0.089 1.491 1.00 0.00 H new ATOM 0 HG SER A 28 13.653 -0.633 3.721 1.00 0.00 H new ATOM 194 N ARG A 29 11.096 1.653 2.517 1.00 0.00 N ATOM 195 CA ARG A 29 10.823 3.088 2.757 1.00 0.00 C ATOM 196 C ARG A 29 11.935 3.920 2.185 1.00 0.00 C ATOM 197 O ARG A 29 11.721 4.996 1.672 1.00 0.00 O ATOM 198 CB ARG A 29 10.766 3.330 4.257 1.00 0.00 C ATOM 199 CG ARG A 29 9.681 2.456 4.870 1.00 0.00 C ATOM 200 CD ARG A 29 9.859 2.454 6.379 1.00 0.00 C ATOM 201 NE ARG A 29 8.667 1.826 7.013 1.00 0.00 N ATOM 202 CZ ARG A 29 8.454 0.551 6.849 1.00 0.00 C ATOM 203 NH1 ARG A 29 9.193 -0.302 7.505 1.00 0.00 N ATOM 204 NH2 ARG A 29 7.510 0.171 6.034 1.00 0.00 N ATOM 0 H ARG A 29 10.947 1.036 3.316 1.00 0.00 H new ATOM 0 HA ARG A 29 9.879 3.361 2.285 1.00 0.00 H new ATOM 0 HB2 ARG A 29 11.731 3.102 4.710 1.00 0.00 H new ATOM 0 HB3 ARG A 29 10.559 4.381 4.459 1.00 0.00 H new ATOM 0 HG2 ARG A 29 8.694 2.836 4.605 1.00 0.00 H new ATOM 0 HG3 ARG A 29 9.747 1.441 4.479 1.00 0.00 H new ATOM 0 HD2 ARG A 29 10.761 1.905 6.650 1.00 0.00 H new ATOM 0 HD3 ARG A 29 9.985 3.474 6.743 1.00 0.00 H new ATOM 0 HE ARG A 29 8.024 2.388 7.570 1.00 0.00 H new ATOM 0 HH11 ARG A 29 9.923 0.033 8.134 1.00 0.00 H new ATOM 0 HH12 ARG A 29 9.040 -1.304 7.389 1.00 0.00 H new ATOM 0 HH21 ARG A 29 6.953 0.867 5.538 1.00 0.00 H new ATOM 0 HH22 ARG A 29 7.328 -0.823 5.892 1.00 0.00 H new ATOM 218 N GLU A 30 13.107 3.395 2.275 1.00 0.00 N ATOM 219 CA GLU A 30 14.272 4.125 1.745 1.00 0.00 C ATOM 220 C GLU A 30 14.011 4.615 0.334 1.00 0.00 C ATOM 221 O GLU A 30 13.856 5.789 0.112 1.00 0.00 O ATOM 222 CB GLU A 30 15.479 3.175 1.715 1.00 0.00 C ATOM 223 CG GLU A 30 15.675 2.562 3.100 1.00 0.00 C ATOM 224 CD GLU A 30 17.013 1.821 3.135 1.00 0.00 C ATOM 225 OE1 GLU A 30 17.332 1.232 2.115 1.00 0.00 O ATOM 226 OE2 GLU A 30 17.642 1.886 4.179 1.00 0.00 O ATOM 0 H GLU A 30 13.312 2.488 2.694 1.00 0.00 H new ATOM 0 HA GLU A 30 14.465 4.985 2.387 1.00 0.00 H new ATOM 0 HB2 GLU A 30 15.319 2.389 0.976 1.00 0.00 H new ATOM 0 HB3 GLU A 30 16.376 3.717 1.415 1.00 0.00 H new ATOM 0 HG2 GLU A 30 15.657 3.341 3.862 1.00 0.00 H new ATOM 0 HG3 GLU A 30 14.859 1.876 3.326 1.00 0.00 H new ATOM 233 N GLU A 31 13.945 3.704 -0.596 1.00 0.00 N ATOM 234 CA GLU A 31 13.696 4.122 -1.993 1.00 0.00 C ATOM 235 C GLU A 31 12.321 4.757 -2.136 1.00 0.00 C ATOM 236 O GLU A 31 12.198 5.870 -2.618 1.00 0.00 O ATOM 237 CB GLU A 31 13.772 2.882 -2.884 1.00 0.00 C ATOM 238 CG GLU A 31 15.206 2.354 -2.885 1.00 0.00 C ATOM 239 CD GLU A 31 15.930 2.855 -4.136 1.00 0.00 C ATOM 240 OE1 GLU A 31 16.172 4.050 -4.179 1.00 0.00 O ATOM 241 OE2 GLU A 31 16.201 2.014 -4.977 1.00 0.00 O ATOM 0 H GLU A 31 14.052 2.701 -0.447 1.00 0.00 H new ATOM 0 HA GLU A 31 14.444 4.859 -2.285 1.00 0.00 H new ATOM 0 HB2 GLU A 31 13.089 2.115 -2.519 1.00 0.00 H new ATOM 0 HB3 GLU A 31 13.461 3.129 -3.899 1.00 0.00 H new ATOM 0 HG2 GLU A 31 15.729 2.689 -1.990 1.00 0.00 H new ATOM 0 HG3 GLU A 31 15.204 1.264 -2.864 1.00 0.00 H new ATOM 248 N VAL A 32 11.310 4.045 -1.714 1.00 0.00 N ATOM 249 CA VAL A 32 9.937 4.600 -1.820 1.00 0.00 C ATOM 250 C VAL A 32 9.926 6.059 -1.360 1.00 0.00 C ATOM 251 O VAL A 32 9.645 6.956 -2.125 1.00 0.00 O ATOM 252 CB VAL A 32 9.007 3.773 -0.894 1.00 0.00 C ATOM 253 CG1 VAL A 32 7.794 4.622 -0.492 1.00 0.00 C ATOM 254 CG2 VAL A 32 8.520 2.510 -1.631 1.00 0.00 C ATOM 0 H VAL A 32 11.377 3.113 -1.305 1.00 0.00 H new ATOM 0 HA VAL A 32 9.597 4.550 -2.855 1.00 0.00 H new ATOM 0 HB VAL A 32 9.563 3.480 -0.003 1.00 0.00 H new ATOM 0 HG11 VAL A 32 7.142 4.039 0.159 1.00 0.00 H new ATOM 0 HG12 VAL A 32 8.133 5.513 0.037 1.00 0.00 H new ATOM 0 HG13 VAL A 32 7.245 4.918 -1.386 1.00 0.00 H new ATOM 0 HG21 VAL A 32 7.868 1.934 -0.974 1.00 0.00 H new ATOM 0 HG22 VAL A 32 7.970 2.800 -2.526 1.00 0.00 H new ATOM 0 HG23 VAL A 32 9.378 1.901 -1.915 1.00 0.00 H new ATOM 264 N ASN A 33 10.246 6.255 -0.115 1.00 0.00 N ATOM 265 CA ASN A 33 10.271 7.637 0.452 1.00 0.00 C ATOM 266 C ASN A 33 11.104 8.613 -0.391 1.00 0.00 C ATOM 267 O ASN A 33 10.567 9.507 -1.025 1.00 0.00 O ATOM 268 CB ASN A 33 10.904 7.559 1.851 1.00 0.00 C ATOM 269 CG ASN A 33 10.731 8.903 2.564 1.00 0.00 C ATOM 270 OD1 ASN A 33 11.561 9.784 2.461 1.00 0.00 O ATOM 271 ND2 ASN A 33 9.672 9.097 3.297 1.00 0.00 N ATOM 0 H ASN A 33 10.494 5.515 0.542 1.00 0.00 H new ATOM 0 HA ASN A 33 9.247 8.009 0.472 1.00 0.00 H new ATOM 0 HB2 ASN A 33 10.434 6.764 2.431 1.00 0.00 H new ATOM 0 HB3 ASN A 33 11.962 7.312 1.770 1.00 0.00 H new ATOM 0 HD21 ASN A 33 9.543 9.985 3.781 1.00 0.00 H new ATOM 0 HD22 ASN A 33 8.972 8.361 3.387 1.00 0.00 H new ATOM 278 N GLU A 34 12.405 8.429 -0.367 1.00 0.00 N ATOM 279 CA GLU A 34 13.306 9.335 -1.157 1.00 0.00 C ATOM 280 C GLU A 34 12.730 9.698 -2.513 1.00 0.00 C ATOM 281 O GLU A 34 13.147 10.662 -3.115 1.00 0.00 O ATOM 282 CB GLU A 34 14.653 8.635 -1.384 1.00 0.00 C ATOM 283 CG GLU A 34 15.774 9.483 -0.781 1.00 0.00 C ATOM 284 CD GLU A 34 17.125 8.908 -1.211 1.00 0.00 C ATOM 285 OE1 GLU A 34 17.208 8.535 -2.371 1.00 0.00 O ATOM 286 OE2 GLU A 34 17.995 8.876 -0.358 1.00 0.00 O ATOM 0 H GLU A 34 12.880 7.697 0.161 1.00 0.00 H new ATOM 0 HA GLU A 34 13.420 10.253 -0.580 1.00 0.00 H new ATOM 0 HB2 GLU A 34 14.643 7.646 -0.926 1.00 0.00 H new ATOM 0 HB3 GLU A 34 14.825 8.490 -2.451 1.00 0.00 H new ATOM 0 HG2 GLU A 34 15.683 10.517 -1.113 1.00 0.00 H new ATOM 0 HG3 GLU A 34 15.697 9.489 0.306 1.00 0.00 H new ATOM 293 N LYS A 35 11.810 8.927 -2.983 1.00 0.00 N ATOM 294 CA LYS A 35 11.222 9.247 -4.302 1.00 0.00 C ATOM 295 C LYS A 35 9.997 10.116 -4.149 1.00 0.00 C ATOM 296 O LYS A 35 9.794 11.059 -4.886 1.00 0.00 O ATOM 297 CB LYS A 35 10.810 7.947 -4.979 1.00 0.00 C ATOM 298 CG LYS A 35 11.304 7.950 -6.427 1.00 0.00 C ATOM 299 CD LYS A 35 10.525 8.993 -7.231 1.00 0.00 C ATOM 300 CE LYS A 35 11.101 9.075 -8.642 1.00 0.00 C ATOM 301 NZ LYS A 35 12.392 9.816 -8.631 1.00 0.00 N ATOM 0 H LYS A 35 11.440 8.097 -2.521 1.00 0.00 H new ATOM 0 HA LYS A 35 11.963 9.782 -4.896 1.00 0.00 H new ATOM 0 HB2 LYS A 35 11.229 7.096 -4.442 1.00 0.00 H new ATOM 0 HB3 LYS A 35 9.726 7.838 -4.953 1.00 0.00 H new ATOM 0 HG2 LYS A 35 12.370 8.174 -6.458 1.00 0.00 H new ATOM 0 HG3 LYS A 35 11.173 6.962 -6.869 1.00 0.00 H new ATOM 0 HD2 LYS A 35 9.470 8.724 -7.272 1.00 0.00 H new ATOM 0 HD3 LYS A 35 10.587 9.966 -6.743 1.00 0.00 H new ATOM 0 HE2 LYS A 35 11.253 8.071 -9.039 1.00 0.00 H new ATOM 0 HE3 LYS A 35 10.393 9.575 -9.303 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 12.671 10.042 -9.607 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 12.282 10.697 -8.090 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 13.126 9.227 -8.189 1.00 0.00 H new ATOM 315 N LEU A 36 9.212 9.796 -3.188 1.00 0.00 N ATOM 316 CA LEU A 36 7.992 10.582 -2.962 1.00 0.00 C ATOM 317 C LEU A 36 8.296 11.889 -2.237 1.00 0.00 C ATOM 318 O LEU A 36 7.400 12.642 -1.912 1.00 0.00 O ATOM 319 CB LEU A 36 7.044 9.754 -2.097 1.00 0.00 C ATOM 320 CG LEU A 36 6.793 8.400 -2.776 1.00 0.00 C ATOM 321 CD1 LEU A 36 6.014 7.497 -1.814 1.00 0.00 C ATOM 322 CD2 LEU A 36 5.978 8.594 -4.061 1.00 0.00 C ATOM 0 H LEU A 36 9.360 9.020 -2.543 1.00 0.00 H new ATOM 0 HA LEU A 36 7.547 10.822 -3.928 1.00 0.00 H new ATOM 0 HB2 LEU A 36 7.474 9.603 -1.107 1.00 0.00 H new ATOM 0 HB3 LEU A 36 6.102 10.285 -1.958 1.00 0.00 H new ATOM 0 HG LEU A 36 7.749 7.943 -3.030 1.00 0.00 H new ATOM 0 HD11 LEU A 36 5.831 6.533 -2.288 1.00 0.00 H new ATOM 0 HD12 LEU A 36 6.594 7.349 -0.903 1.00 0.00 H new ATOM 0 HD13 LEU A 36 5.062 7.966 -1.566 1.00 0.00 H new ATOM 0 HD21 LEU A 36 5.807 7.626 -4.533 1.00 0.00 H new ATOM 0 HD22 LEU A 36 5.020 9.054 -3.818 1.00 0.00 H new ATOM 0 HD23 LEU A 36 6.527 9.240 -4.746 1.00 0.00 H new ATOM 334 N ARG A 37 9.554 12.141 -2.000 1.00 0.00 N ATOM 335 CA ARG A 37 9.922 13.399 -1.294 1.00 0.00 C ATOM 336 C ARG A 37 9.558 14.640 -2.104 1.00 0.00 C ATOM 337 O ARG A 37 9.472 15.725 -1.567 1.00 0.00 O ATOM 338 CB ARG A 37 11.445 13.389 -1.027 1.00 0.00 C ATOM 339 CG ARG A 37 12.215 13.565 -2.347 1.00 0.00 C ATOM 340 CD ARG A 37 12.811 14.973 -2.406 1.00 0.00 C ATOM 341 NE ARG A 37 13.218 15.265 -3.809 1.00 0.00 N ATOM 342 CZ ARG A 37 14.076 16.221 -4.043 1.00 0.00 C ATOM 343 NH1 ARG A 37 13.666 17.457 -4.009 1.00 0.00 N ATOM 344 NH2 ARG A 37 15.318 15.907 -4.303 1.00 0.00 N ATOM 0 H ARG A 37 10.334 11.538 -2.261 1.00 0.00 H new ATOM 0 HA ARG A 37 9.362 13.442 -0.360 1.00 0.00 H new ATOM 0 HB2 ARG A 37 11.706 14.190 -0.335 1.00 0.00 H new ATOM 0 HB3 ARG A 37 11.732 12.451 -0.552 1.00 0.00 H new ATOM 0 HG2 ARG A 37 13.007 12.820 -2.420 1.00 0.00 H new ATOM 0 HG3 ARG A 37 11.548 13.405 -3.194 1.00 0.00 H new ATOM 0 HD2 ARG A 37 12.080 15.706 -2.065 1.00 0.00 H new ATOM 0 HD3 ARG A 37 13.671 15.047 -1.741 1.00 0.00 H new ATOM 0 HE ARG A 37 12.830 14.723 -4.581 1.00 0.00 H new ATOM 0 HH11 ARG A 37 12.689 17.665 -3.802 1.00 0.00 H new ATOM 0 HH12 ARG A 37 14.322 18.217 -4.189 1.00 0.00 H new ATOM 0 HH21 ARG A 37 15.604 14.928 -4.321 1.00 0.00 H new ATOM 0 HH22 ARG A 37 16.002 16.641 -4.488 1.00 0.00 H new ATOM 358 N ASP A 38 9.349 14.463 -3.375 1.00 0.00 N ATOM 359 CA ASP A 38 8.991 15.634 -4.215 1.00 0.00 C ATOM 360 C ASP A 38 8.242 15.211 -5.471 1.00 0.00 C ATOM 361 O ASP A 38 8.794 15.208 -6.554 1.00 0.00 O ATOM 362 CB ASP A 38 10.282 16.345 -4.627 1.00 0.00 C ATOM 363 CG ASP A 38 9.937 17.559 -5.491 1.00 0.00 C ATOM 364 OD1 ASP A 38 9.394 18.493 -4.922 1.00 0.00 O ATOM 365 OD2 ASP A 38 10.237 17.485 -6.670 1.00 0.00 O ATOM 0 H ASP A 38 9.409 13.570 -3.864 1.00 0.00 H new ATOM 0 HA ASP A 38 8.343 16.292 -3.637 1.00 0.00 H new ATOM 0 HB2 ASP A 38 10.836 16.659 -3.742 1.00 0.00 H new ATOM 0 HB3 ASP A 38 10.926 15.662 -5.180 1.00 0.00 H new ATOM 370 N THR A 39 6.996 14.858 -5.297 1.00 0.00 N ATOM 371 CA THR A 39 6.173 14.429 -6.464 1.00 0.00 C ATOM 372 C THR A 39 4.814 15.114 -6.436 1.00 0.00 C ATOM 373 O THR A 39 4.564 15.964 -5.603 1.00 0.00 O ATOM 374 CB THR A 39 5.958 12.920 -6.369 1.00 0.00 C ATOM 375 OG1 THR A 39 6.735 12.509 -5.271 1.00 0.00 O ATOM 376 CG2 THR A 39 6.577 12.200 -7.575 1.00 0.00 C ATOM 0 H THR A 39 6.514 14.848 -4.398 1.00 0.00 H new ATOM 0 HA THR A 39 6.688 14.697 -7.387 1.00 0.00 H new ATOM 0 HB THR A 39 4.893 12.700 -6.304 1.00 0.00 H new ATOM 0 HG1 THR A 39 6.147 12.292 -4.517 1.00 0.00 H new ATOM 0 HG21 THR A 39 6.410 11.127 -7.483 1.00 0.00 H new ATOM 0 HG22 THR A 39 6.113 12.562 -8.492 1.00 0.00 H new ATOM 0 HG23 THR A 39 7.648 12.399 -7.607 1.00 0.00 H new ATOM 384 N ALA A 40 3.956 14.736 -7.344 1.00 0.00 N ATOM 385 CA ALA A 40 2.614 15.362 -7.373 1.00 0.00 C ATOM 386 C ALA A 40 1.889 15.124 -6.053 1.00 0.00 C ATOM 387 O ALA A 40 2.492 14.712 -5.082 1.00 0.00 O ATOM 388 CB ALA A 40 1.801 14.720 -8.509 1.00 0.00 C ATOM 0 H ALA A 40 4.128 14.028 -8.058 1.00 0.00 H new ATOM 0 HA ALA A 40 2.720 16.435 -7.531 1.00 0.00 H new ATOM 0 HB1 ALA A 40 0.809 15.169 -8.545 1.00 0.00 H new ATOM 0 HB2 ALA A 40 2.309 14.886 -9.459 1.00 0.00 H new ATOM 0 HB3 ALA A 40 1.708 13.649 -8.329 1.00 0.00 H new ATOM 394 N ASP A 41 0.605 15.387 -6.043 1.00 0.00 N ATOM 395 CA ASP A 41 -0.180 15.182 -4.797 1.00 0.00 C ATOM 396 C ASP A 41 -1.014 13.916 -4.901 1.00 0.00 C ATOM 397 O ASP A 41 -2.223 13.950 -4.775 1.00 0.00 O ATOM 398 CB ASP A 41 -1.123 16.381 -4.609 1.00 0.00 C ATOM 399 CG ASP A 41 -1.716 16.340 -3.200 1.00 0.00 C ATOM 400 OD1 ASP A 41 -1.825 15.237 -2.690 1.00 0.00 O ATOM 401 OD2 ASP A 41 -2.026 17.414 -2.711 1.00 0.00 O ATOM 0 H ASP A 41 0.073 15.733 -6.842 1.00 0.00 H new ATOM 0 HA ASP A 41 0.503 15.091 -3.953 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -0.579 17.313 -4.760 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -1.920 16.352 -5.352 1.00 0.00 H new ATOM 406 N GLY A 42 -0.353 12.814 -5.127 1.00 0.00 N ATOM 407 CA GLY A 42 -1.092 11.528 -5.245 1.00 0.00 C ATOM 408 C GLY A 42 -0.264 10.516 -6.035 1.00 0.00 C ATOM 409 O GLY A 42 -0.682 10.035 -7.070 1.00 0.00 O ATOM 0 H GLY A 42 0.659 12.749 -5.234 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -1.312 11.134 -4.253 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -2.048 11.694 -5.741 1.00 0.00 H new ATOM 413 N THR A 43 0.893 10.215 -5.526 1.00 0.00 N ATOM 414 CA THR A 43 1.775 9.236 -6.224 1.00 0.00 C ATOM 415 C THR A 43 1.516 7.839 -5.692 1.00 0.00 C ATOM 416 O THR A 43 0.801 7.686 -4.728 1.00 0.00 O ATOM 417 CB THR A 43 3.212 9.607 -5.898 1.00 0.00 C ATOM 418 OG1 THR A 43 3.269 11.011 -6.006 1.00 0.00 O ATOM 419 CG2 THR A 43 4.180 9.101 -6.962 1.00 0.00 C ATOM 0 H THR A 43 1.269 10.601 -4.660 1.00 0.00 H new ATOM 0 HA THR A 43 1.584 9.257 -7.297 1.00 0.00 H new ATOM 0 HB THR A 43 3.478 9.194 -4.925 1.00 0.00 H new ATOM 0 HG1 THR A 43 3.348 11.264 -6.950 1.00 0.00 H new ATOM 0 HG21 THR A 43 5.197 9.386 -6.693 1.00 0.00 H new ATOM 0 HG22 THR A 43 4.113 8.015 -7.028 1.00 0.00 H new ATOM 0 HG23 THR A 43 3.923 9.540 -7.926 1.00 0.00 H new ATOM 427 N PHE A 44 2.088 6.831 -6.320 1.00 0.00 N ATOM 428 CA PHE A 44 1.841 5.462 -5.804 1.00 0.00 C ATOM 429 C PHE A 44 2.742 4.403 -6.422 1.00 0.00 C ATOM 430 O PHE A 44 2.947 4.353 -7.618 1.00 0.00 O ATOM 431 CB PHE A 44 0.379 5.089 -6.073 1.00 0.00 C ATOM 432 CG PHE A 44 0.147 4.934 -7.573 1.00 0.00 C ATOM 433 CD1 PHE A 44 0.180 6.036 -8.410 1.00 0.00 C ATOM 434 CD2 PHE A 44 -0.153 3.697 -8.107 1.00 0.00 C ATOM 435 CE1 PHE A 44 -0.088 5.896 -9.752 1.00 0.00 C ATOM 436 CE2 PHE A 44 -0.423 3.566 -9.450 1.00 0.00 C ATOM 437 CZ PHE A 44 -0.390 4.661 -10.269 1.00 0.00 C ATOM 0 H PHE A 44 2.693 6.902 -7.138 1.00 0.00 H new ATOM 0 HA PHE A 44 2.065 5.481 -4.737 1.00 0.00 H new ATOM 0 HB2 PHE A 44 0.132 4.159 -5.561 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -0.281 5.859 -5.672 1.00 0.00 H new ATOM 0 HD1 PHE A 44 0.417 7.010 -8.008 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -0.176 2.827 -7.467 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -0.061 6.760 -10.400 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -0.662 2.595 -9.859 1.00 0.00 H new ATOM 0 HZ PHE A 44 -0.602 4.554 -11.323 1.00 0.00 H new ATOM 447 N LEU A 45 3.261 3.576 -5.553 1.00 0.00 N ATOM 448 CA LEU A 45 4.159 2.480 -5.978 1.00 0.00 C ATOM 449 C LEU A 45 4.000 1.320 -4.983 1.00 0.00 C ATOM 450 O LEU A 45 3.007 1.264 -4.282 1.00 0.00 O ATOM 451 CB LEU A 45 5.625 2.990 -6.001 1.00 0.00 C ATOM 452 CG LEU A 45 5.817 4.093 -4.962 1.00 0.00 C ATOM 453 CD1 LEU A 45 5.456 3.565 -3.576 1.00 0.00 C ATOM 454 CD2 LEU A 45 7.281 4.511 -4.958 1.00 0.00 C ATOM 0 H LEU A 45 3.092 3.621 -4.548 1.00 0.00 H new ATOM 0 HA LEU A 45 3.904 2.137 -6.981 1.00 0.00 H new ATOM 0 HB2 LEU A 45 6.308 2.165 -5.797 1.00 0.00 H new ATOM 0 HB3 LEU A 45 5.870 3.369 -6.993 1.00 0.00 H new ATOM 0 HG LEU A 45 5.177 4.940 -5.208 1.00 0.00 H new ATOM 0 HD11 LEU A 45 5.595 4.355 -2.838 1.00 0.00 H new ATOM 0 HD12 LEU A 45 4.415 3.241 -3.570 1.00 0.00 H new ATOM 0 HD13 LEU A 45 6.100 2.721 -3.329 1.00 0.00 H new ATOM 0 HD21 LEU A 45 7.432 5.299 -4.220 1.00 0.00 H new ATOM 0 HD22 LEU A 45 7.904 3.653 -4.706 1.00 0.00 H new ATOM 0 HD23 LEU A 45 7.556 4.881 -5.946 1.00 0.00 H new ATOM 466 N VAL A 46 4.959 0.423 -4.926 1.00 0.00 N ATOM 467 CA VAL A 46 4.835 -0.725 -3.965 1.00 0.00 C ATOM 468 C VAL A 46 5.865 -0.640 -2.840 1.00 0.00 C ATOM 469 O VAL A 46 6.824 0.100 -2.922 1.00 0.00 O ATOM 470 CB VAL A 46 5.039 -2.044 -4.768 1.00 0.00 C ATOM 471 CG1 VAL A 46 6.358 -2.742 -4.384 1.00 0.00 C ATOM 472 CG2 VAL A 46 3.876 -2.988 -4.474 1.00 0.00 C ATOM 0 H VAL A 46 5.808 0.433 -5.492 1.00 0.00 H new ATOM 0 HA VAL A 46 3.850 -0.695 -3.500 1.00 0.00 H new ATOM 0 HB VAL A 46 5.080 -1.795 -5.828 1.00 0.00 H new ATOM 0 HG11 VAL A 46 6.467 -3.659 -4.964 1.00 0.00 H new ATOM 0 HG12 VAL A 46 7.196 -2.078 -4.595 1.00 0.00 H new ATOM 0 HG13 VAL A 46 6.345 -2.984 -3.321 1.00 0.00 H new ATOM 0 HG21 VAL A 46 4.010 -3.915 -5.032 1.00 0.00 H new ATOM 0 HG22 VAL A 46 3.847 -3.208 -3.407 1.00 0.00 H new ATOM 0 HG23 VAL A 46 2.940 -2.516 -4.773 1.00 0.00 H new ATOM 482 N ARG A 47 5.630 -1.402 -1.799 1.00 0.00 N ATOM 483 CA ARG A 47 6.565 -1.403 -0.648 1.00 0.00 C ATOM 484 C ARG A 47 6.757 -2.832 -0.148 1.00 0.00 C ATOM 485 O ARG A 47 5.846 -3.435 0.382 1.00 0.00 O ATOM 486 CB ARG A 47 5.963 -0.546 0.479 1.00 0.00 C ATOM 487 CG ARG A 47 6.750 -0.760 1.791 1.00 0.00 C ATOM 488 CD ARG A 47 8.256 -0.604 1.538 1.00 0.00 C ATOM 489 NE ARG A 47 8.958 -0.551 2.848 1.00 0.00 N ATOM 490 CZ ARG A 47 9.101 -1.651 3.541 1.00 0.00 C ATOM 491 NH1 ARG A 47 8.048 -2.187 4.090 1.00 0.00 N ATOM 492 NH2 ARG A 47 10.291 -2.185 3.650 1.00 0.00 N ATOM 0 H ARG A 47 4.826 -2.023 -1.704 1.00 0.00 H new ATOM 0 HA ARG A 47 7.529 -0.996 -0.953 1.00 0.00 H new ATOM 0 HB2 ARG A 47 5.989 0.507 0.198 1.00 0.00 H new ATOM 0 HB3 ARG A 47 4.916 -0.811 0.627 1.00 0.00 H new ATOM 0 HG2 ARG A 47 6.423 -0.040 2.541 1.00 0.00 H new ATOM 0 HG3 ARG A 47 6.542 -1.753 2.191 1.00 0.00 H new ATOM 0 HD2 ARG A 47 8.628 -1.439 0.944 1.00 0.00 H new ATOM 0 HD3 ARG A 47 8.451 0.304 0.968 1.00 0.00 H new ATOM 0 HE ARG A 47 9.324 0.333 3.202 1.00 0.00 H new ATOM 0 HH11 ARG A 47 7.134 -1.749 3.975 1.00 0.00 H new ATOM 0 HH12 ARG A 47 8.138 -3.045 4.635 1.00 0.00 H new ATOM 0 HH21 ARG A 47 11.092 -1.743 3.198 1.00 0.00 H new ATOM 0 HH22 ARG A 47 10.418 -3.043 4.187 1.00 0.00 H new ATOM 506 N ASP A 48 7.943 -3.337 -0.316 1.00 0.00 N ATOM 507 CA ASP A 48 8.228 -4.722 0.134 1.00 0.00 C ATOM 508 C ASP A 48 7.742 -4.998 1.544 1.00 0.00 C ATOM 509 O ASP A 48 8.017 -4.249 2.462 1.00 0.00 O ATOM 510 CB ASP A 48 9.745 -4.935 0.108 1.00 0.00 C ATOM 511 CG ASP A 48 10.048 -6.434 0.156 1.00 0.00 C ATOM 512 OD1 ASP A 48 9.313 -7.156 -0.498 1.00 0.00 O ATOM 513 OD2 ASP A 48 10.999 -6.772 0.840 1.00 0.00 O ATOM 0 H ASP A 48 8.729 -2.849 -0.746 1.00 0.00 H new ATOM 0 HA ASP A 48 7.701 -5.398 -0.539 1.00 0.00 H new ATOM 0 HB2 ASP A 48 10.170 -4.496 -0.795 1.00 0.00 H new ATOM 0 HB3 ASP A 48 10.209 -4.432 0.956 1.00 0.00 H new ATOM 518 N ALA A 49 7.020 -6.085 1.682 1.00 0.00 N ATOM 519 CA ALA A 49 6.492 -6.463 3.011 1.00 0.00 C ATOM 520 C ALA A 49 7.237 -7.686 3.536 1.00 0.00 C ATOM 521 O ALA A 49 7.515 -7.796 4.714 1.00 0.00 O ATOM 522 CB ALA A 49 5.016 -6.824 2.854 1.00 0.00 C ATOM 0 H ALA A 49 6.778 -6.722 0.923 1.00 0.00 H new ATOM 0 HA ALA A 49 6.620 -5.634 3.707 1.00 0.00 H new ATOM 0 HB1 ALA A 49 4.605 -7.106 3.823 1.00 0.00 H new ATOM 0 HB2 ALA A 49 4.470 -5.964 2.465 1.00 0.00 H new ATOM 0 HB3 ALA A 49 4.918 -7.659 2.161 1.00 0.00 H new ATOM 528 N SER A 50 7.550 -8.584 2.638 1.00 0.00 N ATOM 529 CA SER A 50 8.279 -9.816 3.038 1.00 0.00 C ATOM 530 C SER A 50 7.448 -10.664 3.996 1.00 0.00 C ATOM 531 O SER A 50 6.756 -10.148 4.851 1.00 0.00 O ATOM 532 CB SER A 50 9.583 -9.408 3.740 1.00 0.00 C ATOM 533 OG SER A 50 9.369 -9.754 5.099 1.00 0.00 O ATOM 0 H SER A 50 7.330 -8.514 1.644 1.00 0.00 H new ATOM 0 HA SER A 50 8.483 -10.406 2.144 1.00 0.00 H new ATOM 0 HB2 SER A 50 10.441 -9.936 3.325 1.00 0.00 H new ATOM 0 HB3 SER A 50 9.780 -8.342 3.627 1.00 0.00 H new ATOM 0 HG SER A 50 8.659 -9.191 5.472 1.00 0.00 H new ATOM 539 N THR A 51 7.537 -11.957 3.830 1.00 0.00 N ATOM 540 CA THR A 51 6.767 -12.867 4.713 1.00 0.00 C ATOM 541 C THR A 51 7.347 -14.267 4.660 1.00 0.00 C ATOM 542 O THR A 51 8.070 -14.684 5.543 1.00 0.00 O ATOM 543 CB THR A 51 5.312 -12.921 4.210 1.00 0.00 C ATOM 544 OG1 THR A 51 5.399 -12.765 2.809 1.00 0.00 O ATOM 545 CG2 THR A 51 4.499 -11.698 4.681 1.00 0.00 C ATOM 0 H THR A 51 8.109 -12.417 3.122 1.00 0.00 H new ATOM 0 HA THR A 51 6.813 -12.498 5.737 1.00 0.00 H new ATOM 0 HB THR A 51 4.843 -13.840 4.562 1.00 0.00 H new ATOM 0 HG1 THR A 51 4.500 -12.792 2.420 1.00 0.00 H new ATOM 0 HG21 THR A 51 3.478 -11.773 4.306 1.00 0.00 H new ATOM 0 HG22 THR A 51 4.484 -11.669 5.771 1.00 0.00 H new ATOM 0 HG23 THR A 51 4.959 -10.786 4.300 1.00 0.00 H new ATOM 553 N LYS A 52 7.014 -14.964 3.623 1.00 0.00 N ATOM 554 CA LYS A 52 7.523 -16.347 3.466 1.00 0.00 C ATOM 555 C LYS A 52 7.462 -16.767 2.002 1.00 0.00 C ATOM 556 O LYS A 52 8.405 -17.317 1.470 1.00 0.00 O ATOM 557 CB LYS A 52 6.635 -17.293 4.295 1.00 0.00 C ATOM 558 CG LYS A 52 7.524 -18.325 4.999 1.00 0.00 C ATOM 559 CD LYS A 52 6.650 -19.459 5.547 1.00 0.00 C ATOM 560 CE LYS A 52 7.552 -20.575 6.080 1.00 0.00 C ATOM 561 NZ LYS A 52 7.008 -21.121 7.355 1.00 0.00 N ATOM 0 H LYS A 52 6.408 -14.636 2.871 1.00 0.00 H new ATOM 0 HA LYS A 52 8.557 -16.394 3.807 1.00 0.00 H new ATOM 0 HB2 LYS A 52 6.063 -16.725 5.029 1.00 0.00 H new ATOM 0 HB3 LYS A 52 5.915 -17.795 3.649 1.00 0.00 H new ATOM 0 HG2 LYS A 52 8.261 -18.723 4.301 1.00 0.00 H new ATOM 0 HG3 LYS A 52 8.077 -17.852 5.811 1.00 0.00 H new ATOM 0 HD2 LYS A 52 6.005 -19.085 6.342 1.00 0.00 H new ATOM 0 HD3 LYS A 52 5.999 -19.844 4.762 1.00 0.00 H new ATOM 0 HE2 LYS A 52 7.630 -21.372 5.340 1.00 0.00 H new ATOM 0 HE3 LYS A 52 8.559 -20.191 6.242 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 7.632 -21.877 7.703 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 6.956 -20.362 8.064 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 6.056 -21.506 7.190 1.00 0.00 H new ATOM 575 N MET A 53 6.349 -16.490 1.376 1.00 0.00 N ATOM 576 CA MET A 53 6.202 -16.862 -0.053 1.00 0.00 C ATOM 577 C MET A 53 6.789 -15.781 -0.954 1.00 0.00 C ATOM 578 O MET A 53 6.531 -15.752 -2.141 1.00 0.00 O ATOM 579 CB MET A 53 4.701 -17.001 -0.361 1.00 0.00 C ATOM 580 CG MET A 53 4.515 -17.852 -1.622 1.00 0.00 C ATOM 581 SD MET A 53 4.045 -19.583 -1.392 1.00 0.00 S ATOM 582 CE MET A 53 4.018 -20.042 -3.141 1.00 0.00 C ATOM 0 H MET A 53 5.542 -16.025 1.793 1.00 0.00 H new ATOM 0 HA MET A 53 6.731 -17.797 -0.238 1.00 0.00 H new ATOM 0 HB2 MET A 53 4.187 -17.463 0.482 1.00 0.00 H new ATOM 0 HB3 MET A 53 4.256 -16.017 -0.505 1.00 0.00 H new ATOM 0 HG2 MET A 53 3.755 -17.376 -2.241 1.00 0.00 H new ATOM 0 HG3 MET A 53 5.447 -17.828 -2.186 1.00 0.00 H new ATOM 0 HE1 MET A 53 3.745 -21.093 -3.237 1.00 0.00 H new ATOM 0 HE2 MET A 53 3.287 -19.428 -3.667 1.00 0.00 H new ATOM 0 HE3 MET A 53 5.005 -19.882 -3.574 1.00 0.00 H new ATOM 592 N HIS A 54 7.569 -14.910 -0.373 1.00 0.00 N ATOM 593 CA HIS A 54 8.180 -13.825 -1.180 1.00 0.00 C ATOM 594 C HIS A 54 7.126 -13.117 -2.022 1.00 0.00 C ATOM 595 O HIS A 54 7.328 -12.877 -3.195 1.00 0.00 O ATOM 596 CB HIS A 54 9.220 -14.445 -2.131 1.00 0.00 C ATOM 597 CG HIS A 54 10.397 -14.993 -1.323 1.00 0.00 C ATOM 598 ND1 HIS A 54 10.613 -16.204 -1.112 1.00 0.00 N ATOM 599 CD2 HIS A 54 11.429 -14.320 -0.699 1.00 0.00 C ATOM 600 CE1 HIS A 54 11.665 -16.377 -0.425 1.00 0.00 C ATOM 601 NE2 HIS A 54 12.260 -15.224 -0.110 1.00 0.00 N ATOM 0 H HIS A 54 7.806 -14.905 0.619 1.00 0.00 H new ATOM 0 HA HIS A 54 8.641 -13.104 -0.505 1.00 0.00 H new ATOM 0 HB2 HIS A 54 8.763 -15.245 -2.713 1.00 0.00 H new ATOM 0 HB3 HIS A 54 9.571 -13.695 -2.840 1.00 0.00 H new ATOM 0 HD2 HIS A 54 11.557 -13.248 -0.681 1.00 0.00 H new ATOM 0 HE1 HIS A 54 12.037 -17.347 -0.129 1.00 0.00 H new ATOM 0 HE2 HIS A 54 13.111 -15.063 0.429 1.00 0.00 H new ATOM 609 N GLY A 55 6.016 -12.793 -1.416 1.00 0.00 N ATOM 610 CA GLY A 55 4.948 -12.098 -2.191 1.00 0.00 C ATOM 611 C GLY A 55 4.121 -11.180 -1.286 1.00 0.00 C ATOM 612 O GLY A 55 4.415 -11.025 -0.116 1.00 0.00 O ATOM 0 H GLY A 55 5.804 -12.975 -0.435 1.00 0.00 H new ATOM 0 HA2 GLY A 55 5.398 -11.514 -2.994 1.00 0.00 H new ATOM 0 HA3 GLY A 55 4.296 -12.835 -2.660 1.00 0.00 H new ATOM 616 N ASP A 56 3.097 -10.590 -1.854 1.00 0.00 N ATOM 617 CA ASP A 56 2.233 -9.684 -1.070 1.00 0.00 C ATOM 618 C ASP A 56 3.038 -8.595 -0.427 1.00 0.00 C ATOM 619 O ASP A 56 3.679 -8.800 0.582 1.00 0.00 O ATOM 620 CB ASP A 56 1.514 -10.474 0.015 1.00 0.00 C ATOM 621 CG ASP A 56 1.287 -9.575 1.231 1.00 0.00 C ATOM 622 OD1 ASP A 56 0.555 -8.613 1.062 1.00 0.00 O ATOM 623 OD2 ASP A 56 1.858 -9.899 2.259 1.00 0.00 O ATOM 0 H ASP A 56 2.830 -10.704 -2.832 1.00 0.00 H new ATOM 0 HA ASP A 56 1.510 -9.233 -1.750 1.00 0.00 H new ATOM 0 HB2 ASP A 56 0.560 -10.844 -0.361 1.00 0.00 H new ATOM 0 HB3 ASP A 56 2.105 -11.345 0.298 1.00 0.00 H new ATOM 628 N TYR A 57 3.002 -7.459 -1.038 1.00 0.00 N ATOM 629 CA TYR A 57 3.749 -6.315 -0.504 1.00 0.00 C ATOM 630 C TYR A 57 2.833 -5.341 0.193 1.00 0.00 C ATOM 631 O TYR A 57 1.936 -5.727 0.916 1.00 0.00 O ATOM 632 CB TYR A 57 4.426 -5.615 -1.672 1.00 0.00 C ATOM 633 CG TYR A 57 5.175 -6.664 -2.487 1.00 0.00 C ATOM 634 CD1 TYR A 57 6.162 -7.436 -1.899 1.00 0.00 C ATOM 635 CD2 TYR A 57 4.863 -6.877 -3.810 1.00 0.00 C ATOM 636 CE1 TYR A 57 6.820 -8.398 -2.621 1.00 0.00 C ATOM 637 CE2 TYR A 57 5.522 -7.842 -4.534 1.00 0.00 C ATOM 638 CZ TYR A 57 6.508 -8.611 -3.948 1.00 0.00 C ATOM 639 OH TYR A 57 7.169 -9.577 -4.677 1.00 0.00 O ATOM 0 H TYR A 57 2.480 -7.275 -1.895 1.00 0.00 H new ATOM 0 HA TYR A 57 4.479 -6.670 0.224 1.00 0.00 H new ATOM 0 HB2 TYR A 57 3.686 -5.109 -2.292 1.00 0.00 H new ATOM 0 HB3 TYR A 57 5.115 -4.852 -1.310 1.00 0.00 H new ATOM 0 HD1 TYR A 57 6.416 -7.279 -0.861 1.00 0.00 H new ATOM 0 HD2 TYR A 57 4.095 -6.282 -4.283 1.00 0.00 H new ATOM 0 HE1 TYR A 57 7.587 -8.993 -2.148 1.00 0.00 H new ATOM 0 HE2 TYR A 57 5.266 -8.000 -5.571 1.00 0.00 H new ATOM 0 HH TYR A 57 7.857 -9.154 -5.232 1.00 0.00 H new ATOM 649 N THR A 58 3.080 -4.103 -0.037 1.00 0.00 N ATOM 650 CA THR A 58 2.256 -3.067 0.589 1.00 0.00 C ATOM 651 C THR A 58 2.108 -1.870 -0.333 1.00 0.00 C ATOM 652 O THR A 58 3.085 -1.278 -0.746 1.00 0.00 O ATOM 653 CB THR A 58 2.976 -2.639 1.856 1.00 0.00 C ATOM 654 OG1 THR A 58 2.531 -3.535 2.854 1.00 0.00 O ATOM 655 CG2 THR A 58 2.503 -1.264 2.336 1.00 0.00 C ATOM 0 H THR A 58 3.828 -3.760 -0.640 1.00 0.00 H new ATOM 0 HA THR A 58 1.259 -3.452 0.802 1.00 0.00 H new ATOM 0 HB THR A 58 4.051 -2.621 1.674 1.00 0.00 H new ATOM 0 HG1 THR A 58 2.173 -4.344 2.432 1.00 0.00 H new ATOM 0 HG21 THR A 58 3.040 -0.991 3.244 1.00 0.00 H new ATOM 0 HG22 THR A 58 2.698 -0.522 1.562 1.00 0.00 H new ATOM 0 HG23 THR A 58 1.434 -1.299 2.544 1.00 0.00 H new ATOM 663 N LEU A 59 0.895 -1.530 -0.646 1.00 0.00 N ATOM 664 CA LEU A 59 0.689 -0.373 -1.538 1.00 0.00 C ATOM 665 C LEU A 59 0.883 0.922 -0.767 1.00 0.00 C ATOM 666 O LEU A 59 0.363 1.079 0.318 1.00 0.00 O ATOM 667 CB LEU A 59 -0.751 -0.417 -2.084 1.00 0.00 C ATOM 668 CG LEU A 59 -0.716 -0.758 -3.580 1.00 0.00 C ATOM 669 CD1 LEU A 59 -0.180 -2.181 -3.769 1.00 0.00 C ATOM 670 CD2 LEU A 59 -2.136 -0.681 -4.142 1.00 0.00 C ATOM 0 H LEU A 59 0.048 -1.999 -0.325 1.00 0.00 H new ATOM 0 HA LEU A 59 1.409 -0.416 -2.355 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -1.335 -1.162 -1.543 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -1.240 0.545 -1.930 1.00 0.00 H new ATOM 0 HG LEU A 59 -0.069 -0.052 -4.101 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -0.155 -2.422 -4.832 1.00 0.00 H new ATOM 0 HD12 LEU A 59 0.827 -2.248 -3.358 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -0.830 -2.886 -3.252 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -2.120 -0.922 -5.205 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -2.774 -1.393 -3.618 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -2.528 0.327 -4.004 1.00 0.00 H new ATOM 682 N THR A 60 1.644 1.819 -1.335 1.00 0.00 N ATOM 683 CA THR A 60 1.890 3.117 -0.654 1.00 0.00 C ATOM 684 C THR A 60 1.627 4.272 -1.606 1.00 0.00 C ATOM 685 O THR A 60 1.995 4.212 -2.763 1.00 0.00 O ATOM 686 CB THR A 60 3.354 3.164 -0.210 1.00 0.00 C ATOM 687 OG1 THR A 60 3.340 2.838 1.167 1.00 0.00 O ATOM 688 CG2 THR A 60 3.916 4.605 -0.265 1.00 0.00 C ATOM 0 H THR A 60 2.104 1.707 -2.239 1.00 0.00 H new ATOM 0 HA THR A 60 1.223 3.206 0.204 1.00 0.00 H new ATOM 0 HB THR A 60 3.946 2.506 -0.846 1.00 0.00 H new ATOM 0 HG1 THR A 60 4.256 2.849 1.515 1.00 0.00 H new ATOM 0 HG21 THR A 60 4.957 4.602 0.057 1.00 0.00 H new ATOM 0 HG22 THR A 60 3.853 4.982 -1.286 1.00 0.00 H new ATOM 0 HG23 THR A 60 3.334 5.248 0.396 1.00 0.00 H new ATOM 696 N LEU A 61 0.990 5.305 -1.101 1.00 0.00 N ATOM 697 CA LEU A 61 0.693 6.483 -1.967 1.00 0.00 C ATOM 698 C LEU A 61 1.107 7.772 -1.293 1.00 0.00 C ATOM 699 O LEU A 61 0.977 7.920 -0.098 1.00 0.00 O ATOM 700 CB LEU A 61 -0.822 6.557 -2.280 1.00 0.00 C ATOM 701 CG LEU A 61 -1.557 5.320 -1.762 1.00 0.00 C ATOM 702 CD1 LEU A 61 -3.063 5.537 -1.936 1.00 0.00 C ATOM 703 CD2 LEU A 61 -1.135 4.090 -2.578 1.00 0.00 C ATOM 0 H LEU A 61 0.668 5.379 -0.136 1.00 0.00 H new ATOM 0 HA LEU A 61 1.259 6.359 -2.890 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -1.246 7.452 -1.825 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -0.969 6.646 -3.356 1.00 0.00 H new ATOM 0 HG LEU A 61 -1.314 5.161 -0.712 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -3.601 4.662 -1.571 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -3.372 6.416 -1.370 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -3.289 5.688 -2.992 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -1.660 3.210 -2.207 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -1.385 4.246 -3.627 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -0.060 3.939 -2.480 1.00 0.00 H new ATOM 715 N ARG A 62 1.599 8.693 -2.078 1.00 0.00 N ATOM 716 CA ARG A 62 2.027 9.977 -1.504 1.00 0.00 C ATOM 717 C ARG A 62 0.863 10.924 -1.390 1.00 0.00 C ATOM 718 O ARG A 62 0.278 11.322 -2.390 1.00 0.00 O ATOM 719 CB ARG A 62 3.073 10.598 -2.435 1.00 0.00 C ATOM 720 CG ARG A 62 3.582 11.925 -1.854 1.00 0.00 C ATOM 721 CD ARG A 62 4.130 11.716 -0.431 1.00 0.00 C ATOM 722 NE ARG A 62 5.183 12.741 -0.162 1.00 0.00 N ATOM 723 CZ ARG A 62 5.981 12.595 0.865 1.00 0.00 C ATOM 724 NH1 ARG A 62 5.902 11.503 1.576 1.00 0.00 N ATOM 725 NH2 ARG A 62 6.833 13.546 1.145 1.00 0.00 N ATOM 0 H ARG A 62 1.718 8.602 -3.087 1.00 0.00 H new ATOM 0 HA ARG A 62 2.438 9.803 -0.510 1.00 0.00 H new ATOM 0 HB2 ARG A 62 3.906 9.908 -2.569 1.00 0.00 H new ATOM 0 HB3 ARG A 62 2.638 10.767 -3.420 1.00 0.00 H new ATOM 0 HG2 ARG A 62 4.364 12.333 -2.495 1.00 0.00 H new ATOM 0 HG3 ARG A 62 2.772 12.655 -1.835 1.00 0.00 H new ATOM 0 HD2 ARG A 62 3.325 11.802 0.299 1.00 0.00 H new ATOM 0 HD3 ARG A 62 4.546 10.713 -0.331 1.00 0.00 H new ATOM 0 HE ARG A 62 5.279 13.550 -0.775 1.00 0.00 H new ATOM 0 HH11 ARG A 62 5.226 10.781 1.328 1.00 0.00 H new ATOM 0 HH12 ARG A 62 6.516 11.372 2.380 1.00 0.00 H new ATOM 0 HH21 ARG A 62 6.868 14.385 0.567 1.00 0.00 H new ATOM 0 HH22 ARG A 62 7.462 13.449 1.942 1.00 0.00 H new ATOM 739 N LYS A 63 0.552 11.271 -0.171 1.00 0.00 N ATOM 740 CA LYS A 63 -0.571 12.196 0.081 1.00 0.00 C ATOM 741 C LYS A 63 -0.100 13.641 0.005 1.00 0.00 C ATOM 742 O LYS A 63 -0.551 14.488 0.752 1.00 0.00 O ATOM 743 CB LYS A 63 -1.082 11.911 1.503 1.00 0.00 C ATOM 744 CG LYS A 63 -2.600 12.121 1.602 1.00 0.00 C ATOM 745 CD LYS A 63 -3.113 11.331 2.807 1.00 0.00 C ATOM 746 CE LYS A 63 -4.329 12.044 3.405 1.00 0.00 C ATOM 747 NZ LYS A 63 -5.098 12.756 2.344 1.00 0.00 N ATOM 0 H LYS A 63 1.038 10.946 0.665 1.00 0.00 H new ATOM 0 HA LYS A 63 -1.352 12.050 -0.665 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -0.835 10.887 1.782 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -0.575 12.565 2.212 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -2.831 13.180 1.715 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -3.091 11.784 0.689 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -3.384 10.320 2.504 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -2.327 11.239 3.557 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -4.973 11.319 3.903 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -4.003 12.755 4.164 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -6.101 12.804 2.615 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -4.723 13.719 2.231 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -5.007 12.241 1.445 1.00 0.00 H new ATOM 761 N GLY A 64 0.800 13.895 -0.899 1.00 0.00 N ATOM 762 CA GLY A 64 1.322 15.282 -1.050 1.00 0.00 C ATOM 763 C GLY A 64 2.368 15.594 0.025 1.00 0.00 C ATOM 764 O GLY A 64 2.912 16.679 0.060 1.00 0.00 O ATOM 0 H GLY A 64 1.197 13.207 -1.539 1.00 0.00 H new ATOM 0 HA2 GLY A 64 1.764 15.402 -2.039 1.00 0.00 H new ATOM 0 HA3 GLY A 64 0.499 15.994 -0.980 1.00 0.00 H new ATOM 768 N GLY A 65 2.630 14.642 0.881 1.00 0.00 N ATOM 769 CA GLY A 65 3.642 14.893 1.948 1.00 0.00 C ATOM 770 C GLY A 65 3.603 13.798 3.015 1.00 0.00 C ATOM 771 O GLY A 65 4.561 13.607 3.738 1.00 0.00 O ATOM 0 H GLY A 65 2.197 13.719 0.889 1.00 0.00 H new ATOM 0 HA2 GLY A 65 4.637 14.938 1.506 1.00 0.00 H new ATOM 0 HA3 GLY A 65 3.454 15.862 2.410 1.00 0.00 H new ATOM 775 N ASN A 66 2.496 13.107 3.086 1.00 0.00 N ATOM 776 CA ASN A 66 2.362 12.017 4.095 1.00 0.00 C ATOM 777 C ASN A 66 2.135 10.675 3.411 1.00 0.00 C ATOM 778 O ASN A 66 1.027 10.328 3.063 1.00 0.00 O ATOM 779 CB ASN A 66 1.154 12.334 4.985 1.00 0.00 C ATOM 780 CG ASN A 66 1.308 11.613 6.326 1.00 0.00 C ATOM 781 OD1 ASN A 66 1.380 12.231 7.371 1.00 0.00 O ATOM 782 ND2 ASN A 66 1.363 10.310 6.342 1.00 0.00 N ATOM 0 H ASN A 66 1.681 13.250 2.490 1.00 0.00 H new ATOM 0 HA ASN A 66 3.277 11.956 4.684 1.00 0.00 H new ATOM 0 HB2 ASN A 66 1.078 13.410 5.144 1.00 0.00 H new ATOM 0 HB3 ASN A 66 0.234 12.019 4.494 1.00 0.00 H new ATOM 0 HD21 ASN A 66 1.466 9.815 7.228 1.00 0.00 H new ATOM 0 HD22 ASN A 66 1.303 9.786 5.469 1.00 0.00 H new ATOM 789 N ASN A 67 3.195 9.945 3.235 1.00 0.00 N ATOM 790 CA ASN A 67 3.080 8.634 2.584 1.00 0.00 C ATOM 791 C ASN A 67 2.053 7.750 3.288 1.00 0.00 C ATOM 792 O ASN A 67 2.235 7.365 4.426 1.00 0.00 O ATOM 793 CB ASN A 67 4.451 7.962 2.658 1.00 0.00 C ATOM 794 CG ASN A 67 4.915 7.917 4.113 1.00 0.00 C ATOM 795 OD1 ASN A 67 5.016 8.930 4.776 1.00 0.00 O ATOM 796 ND2 ASN A 67 5.207 6.763 4.646 1.00 0.00 N ATOM 0 H ASN A 67 4.139 10.209 3.519 1.00 0.00 H new ATOM 0 HA ASN A 67 2.753 8.770 1.553 1.00 0.00 H new ATOM 0 HB2 ASN A 67 4.396 6.952 2.251 1.00 0.00 H new ATOM 0 HB3 ASN A 67 5.171 8.512 2.052 1.00 0.00 H new ATOM 0 HD21 ASN A 67 5.519 6.713 5.616 1.00 0.00 H new ATOM 0 HD22 ASN A 67 5.124 5.910 4.093 1.00 0.00 H new ATOM 803 N LYS A 68 0.992 7.445 2.590 1.00 0.00 N ATOM 804 CA LYS A 68 -0.062 6.589 3.186 1.00 0.00 C ATOM 805 C LYS A 68 0.270 5.118 2.927 1.00 0.00 C ATOM 806 O LYS A 68 0.646 4.756 1.834 1.00 0.00 O ATOM 807 CB LYS A 68 -1.399 6.948 2.487 1.00 0.00 C ATOM 808 CG LYS A 68 -2.587 6.829 3.464 1.00 0.00 C ATOM 809 CD LYS A 68 -3.029 5.369 3.544 1.00 0.00 C ATOM 810 CE LYS A 68 -4.232 5.252 4.492 1.00 0.00 C ATOM 811 NZ LYS A 68 -5.190 6.375 4.271 1.00 0.00 N ATOM 0 H LYS A 68 0.814 7.753 1.634 1.00 0.00 H new ATOM 0 HA LYS A 68 -0.131 6.750 4.262 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -1.347 7.964 2.095 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -1.557 6.286 1.636 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -2.298 7.188 4.452 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -3.414 7.454 3.127 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -3.296 5.004 2.552 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -2.208 4.748 3.902 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -4.737 4.300 4.331 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -3.888 5.259 5.526 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -6.118 6.122 4.665 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -4.835 7.232 4.742 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -5.285 6.555 3.251 1.00 0.00 H new ATOM 825 N LEU A 69 0.122 4.297 3.941 1.00 0.00 N ATOM 826 CA LEU A 69 0.431 2.843 3.770 1.00 0.00 C ATOM 827 C LEU A 69 -0.824 1.992 3.593 1.00 0.00 C ATOM 828 O LEU A 69 -1.797 2.157 4.299 1.00 0.00 O ATOM 829 CB LEU A 69 1.154 2.364 5.041 1.00 0.00 C ATOM 830 CG LEU A 69 1.435 0.859 4.935 1.00 0.00 C ATOM 831 CD1 LEU A 69 2.864 0.581 5.408 1.00 0.00 C ATOM 832 CD2 LEU A 69 0.461 0.090 5.834 1.00 0.00 C ATOM 0 H LEU A 69 -0.197 4.569 4.871 1.00 0.00 H new ATOM 0 HA LEU A 69 1.039 2.731 2.872 1.00 0.00 H new ATOM 0 HB2 LEU A 69 2.088 2.911 5.168 1.00 0.00 H new ATOM 0 HB3 LEU A 69 0.542 2.569 5.919 1.00 0.00 H new ATOM 0 HG LEU A 69 1.312 0.540 3.900 1.00 0.00 H new ATOM 0 HD11 LEU A 69 3.070 -0.487 5.335 1.00 0.00 H new ATOM 0 HD12 LEU A 69 3.568 1.130 4.782 1.00 0.00 H new ATOM 0 HD13 LEU A 69 2.973 0.902 6.444 1.00 0.00 H new ATOM 0 HD21 LEU A 69 0.662 -0.979 5.758 1.00 0.00 H new ATOM 0 HD22 LEU A 69 0.590 0.410 6.868 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -0.562 0.290 5.517 1.00 0.00 H new ATOM 844 N ILE A 70 -0.761 1.084 2.641 1.00 0.00 N ATOM 845 CA ILE A 70 -1.925 0.185 2.376 1.00 0.00 C ATOM 846 C ILE A 70 -1.417 -1.242 2.178 1.00 0.00 C ATOM 847 O ILE A 70 -0.667 -1.514 1.262 1.00 0.00 O ATOM 848 CB ILE A 70 -2.651 0.647 1.103 1.00 0.00 C ATOM 849 CG1 ILE A 70 -3.284 2.015 1.344 1.00 0.00 C ATOM 850 CG2 ILE A 70 -3.771 -0.369 0.778 1.00 0.00 C ATOM 851 CD1 ILE A 70 -2.703 3.013 0.352 1.00 0.00 C ATOM 0 H ILE A 70 0.048 0.931 2.039 1.00 0.00 H new ATOM 0 HA ILE A 70 -2.615 0.219 3.219 1.00 0.00 H new ATOM 0 HB ILE A 70 -1.942 0.712 0.277 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -4.366 1.955 1.227 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -3.092 2.344 2.365 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -4.296 -0.055 -0.124 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -3.333 -1.354 0.619 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -4.474 -0.414 1.610 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -3.150 3.993 0.518 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -1.624 3.078 0.491 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -2.918 2.683 -0.664 1.00 0.00 H new ATOM 863 N LYS A 71 -1.840 -2.128 3.036 1.00 0.00 N ATOM 864 CA LYS A 71 -1.387 -3.543 2.915 1.00 0.00 C ATOM 865 C LYS A 71 -2.100 -4.309 1.800 1.00 0.00 C ATOM 866 O LYS A 71 -3.183 -3.956 1.381 1.00 0.00 O ATOM 867 CB LYS A 71 -1.694 -4.258 4.241 1.00 0.00 C ATOM 868 CG LYS A 71 -0.578 -3.976 5.241 1.00 0.00 C ATOM 869 CD LYS A 71 -1.146 -4.080 6.657 1.00 0.00 C ATOM 870 CE LYS A 71 -0.022 -3.865 7.670 1.00 0.00 C ATOM 871 NZ LYS A 71 -0.505 -3.041 8.814 1.00 0.00 N ATOM 0 H LYS A 71 -2.475 -1.936 3.811 1.00 0.00 H new ATOM 0 HA LYS A 71 -0.323 -3.525 2.680 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -2.649 -3.915 4.639 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -1.785 -5.331 4.075 1.00 0.00 H new ATOM 0 HG2 LYS A 71 0.236 -4.688 5.108 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -0.163 -2.982 5.073 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -1.929 -3.336 6.802 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -1.604 -5.058 6.807 1.00 0.00 H new ATOM 0 HE2 LYS A 71 0.338 -4.828 8.033 1.00 0.00 H new ATOM 0 HE3 LYS A 71 0.821 -3.371 7.188 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 0.270 -2.903 9.494 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -0.827 -2.116 8.464 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -1.295 -3.528 9.283 1.00 0.00 H new ATOM 885 N ILE A 72 -1.443 -5.351 1.342 1.00 0.00 N ATOM 886 CA ILE A 72 -2.013 -6.200 0.257 1.00 0.00 C ATOM 887 C ILE A 72 -2.405 -7.555 0.876 1.00 0.00 C ATOM 888 O ILE A 72 -1.668 -8.077 1.689 1.00 0.00 O ATOM 889 CB ILE A 72 -0.902 -6.414 -0.795 1.00 0.00 C ATOM 890 CG1 ILE A 72 -0.797 -5.197 -1.741 1.00 0.00 C ATOM 891 CG2 ILE A 72 -1.203 -7.689 -1.615 1.00 0.00 C ATOM 892 CD1 ILE A 72 -1.897 -5.230 -2.822 1.00 0.00 C ATOM 0 H ILE A 72 -0.528 -5.648 1.680 1.00 0.00 H new ATOM 0 HA ILE A 72 -2.885 -5.738 -0.205 1.00 0.00 H new ATOM 0 HB ILE A 72 0.049 -6.528 -0.275 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -0.880 -4.276 -1.163 1.00 0.00 H new ATOM 0 HG13 ILE A 72 0.183 -5.187 -2.217 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -0.418 -7.838 -2.357 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -1.241 -8.550 -0.948 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -2.163 -7.579 -2.120 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -1.795 -4.360 -3.471 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -1.797 -6.139 -3.415 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -2.877 -5.214 -2.345 1.00 0.00 H new ATOM 904 N PHE A 73 -3.555 -8.105 0.491 1.00 0.00 N ATOM 905 CA PHE A 73 -3.960 -9.425 1.085 1.00 0.00 C ATOM 906 C PHE A 73 -3.851 -10.578 0.078 1.00 0.00 C ATOM 907 O PHE A 73 -4.544 -10.612 -0.917 1.00 0.00 O ATOM 908 CB PHE A 73 -5.421 -9.318 1.578 1.00 0.00 C ATOM 909 CG PHE A 73 -5.842 -7.839 1.661 1.00 0.00 C ATOM 910 CD1 PHE A 73 -5.040 -6.907 2.302 1.00 0.00 C ATOM 911 CD2 PHE A 73 -7.015 -7.414 1.065 1.00 0.00 C ATOM 912 CE1 PHE A 73 -5.403 -5.576 2.335 1.00 0.00 C ATOM 913 CE2 PHE A 73 -7.376 -6.079 1.101 1.00 0.00 C ATOM 914 CZ PHE A 73 -6.566 -5.162 1.734 1.00 0.00 C ATOM 0 H PHE A 73 -4.204 -7.705 -0.186 1.00 0.00 H new ATOM 0 HA PHE A 73 -3.280 -9.645 1.908 1.00 0.00 H new ATOM 0 HB2 PHE A 73 -6.083 -9.855 0.899 1.00 0.00 H new ATOM 0 HB3 PHE A 73 -5.519 -9.788 2.557 1.00 0.00 H new ATOM 0 HD1 PHE A 73 -4.125 -7.225 2.779 1.00 0.00 H new ATOM 0 HD2 PHE A 73 -7.654 -8.129 0.568 1.00 0.00 H new ATOM 0 HE1 PHE A 73 -4.770 -4.858 2.835 1.00 0.00 H new ATOM 0 HE2 PHE A 73 -8.294 -5.755 0.632 1.00 0.00 H new ATOM 0 HZ PHE A 73 -6.845 -4.119 1.757 1.00 0.00 H new ATOM 924 N HIS A 74 -2.963 -11.500 0.379 1.00 0.00 N ATOM 925 CA HIS A 74 -2.748 -12.687 -0.510 1.00 0.00 C ATOM 926 C HIS A 74 -3.186 -13.948 0.236 1.00 0.00 C ATOM 927 O HIS A 74 -3.522 -13.879 1.401 1.00 0.00 O ATOM 928 CB HIS A 74 -1.240 -12.792 -0.799 1.00 0.00 C ATOM 929 CG HIS A 74 -0.906 -14.177 -1.351 1.00 0.00 C ATOM 930 ND1 HIS A 74 -0.672 -15.187 -0.654 1.00 0.00 N ATOM 931 CD2 HIS A 74 -0.790 -14.596 -2.657 1.00 0.00 C ATOM 932 CE1 HIS A 74 -0.420 -16.199 -1.373 1.00 0.00 C ATOM 933 NE2 HIS A 74 -0.471 -15.920 -2.676 1.00 0.00 N ATOM 0 H HIS A 74 -2.373 -11.479 1.211 1.00 0.00 H new ATOM 0 HA HIS A 74 -3.317 -12.583 -1.434 1.00 0.00 H new ATOM 0 HB2 HIS A 74 -0.945 -12.026 -1.516 1.00 0.00 H new ATOM 0 HB3 HIS A 74 -0.673 -12.610 0.114 1.00 0.00 H new ATOM 0 HD1 HIS A 74 -0.683 -15.196 0.366 1.00 0.00 H new ATOM 0 HD2 HIS A 74 -0.930 -13.974 -3.528 1.00 0.00 H new ATOM 0 HE1 HIS A 74 -0.190 -17.177 -0.976 1.00 0.00 H new ATOM 941 N ARG A 75 -3.184 -15.074 -0.432 1.00 0.00 N ATOM 942 CA ARG A 75 -3.601 -16.316 0.265 1.00 0.00 C ATOM 943 C ARG A 75 -2.850 -17.532 -0.266 1.00 0.00 C ATOM 944 O ARG A 75 -2.337 -18.325 0.498 1.00 0.00 O ATOM 945 CB ARG A 75 -5.102 -16.524 0.056 1.00 0.00 C ATOM 946 CG ARG A 75 -5.690 -17.129 1.333 1.00 0.00 C ATOM 947 CD ARG A 75 -7.070 -17.704 1.032 1.00 0.00 C ATOM 948 NE ARG A 75 -7.685 -18.174 2.307 1.00 0.00 N ATOM 949 CZ ARG A 75 -7.244 -19.269 2.867 1.00 0.00 C ATOM 950 NH1 ARG A 75 -7.759 -20.413 2.506 1.00 0.00 N ATOM 951 NH2 ARG A 75 -6.304 -19.184 3.769 1.00 0.00 N ATOM 0 H ARG A 75 -2.916 -15.182 -1.410 1.00 0.00 H new ATOM 0 HA ARG A 75 -3.370 -16.209 1.325 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -5.588 -15.575 -0.172 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -5.278 -17.185 -0.793 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -5.033 -17.911 1.714 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -5.763 -16.367 2.109 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -7.701 -16.947 0.566 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -6.988 -18.530 0.326 1.00 0.00 H new ATOM 0 HE ARG A 75 -8.443 -17.645 2.738 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -8.493 -20.441 1.798 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -7.428 -21.279 2.932 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -5.925 -18.273 4.027 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -5.948 -20.029 4.216 1.00 0.00 H new ATOM 965 N ASP A 76 -2.796 -17.661 -1.564 1.00 0.00 N ATOM 966 CA ASP A 76 -2.077 -18.826 -2.148 1.00 0.00 C ATOM 967 C ASP A 76 -1.410 -18.456 -3.467 1.00 0.00 C ATOM 968 O ASP A 76 -0.373 -18.989 -3.810 1.00 0.00 O ATOM 969 CB ASP A 76 -3.095 -19.940 -2.405 1.00 0.00 C ATOM 970 CG ASP A 76 -2.665 -21.201 -1.652 1.00 0.00 C ATOM 971 OD1 ASP A 76 -1.611 -21.706 -2.001 1.00 0.00 O ATOM 972 OD2 ASP A 76 -3.415 -21.587 -0.772 1.00 0.00 O ATOM 0 H ASP A 76 -3.213 -17.018 -2.237 1.00 0.00 H new ATOM 0 HA ASP A 76 -1.304 -19.150 -1.451 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -4.086 -19.626 -2.076 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -3.164 -20.146 -3.473 1.00 0.00 H new ATOM 977 N GLY A 77 -2.015 -17.551 -4.185 1.00 0.00 N ATOM 978 CA GLY A 77 -1.422 -17.138 -5.489 1.00 0.00 C ATOM 979 C GLY A 77 -2.212 -15.976 -6.091 1.00 0.00 C ATOM 980 O GLY A 77 -1.881 -15.487 -7.155 1.00 0.00 O ATOM 0 H GLY A 77 -2.885 -17.083 -3.930 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -0.382 -16.843 -5.346 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -1.422 -17.982 -6.179 1.00 0.00 H new ATOM 984 N LYS A 78 -3.242 -15.564 -5.394 1.00 0.00 N ATOM 985 CA LYS A 78 -4.074 -14.447 -5.886 1.00 0.00 C ATOM 986 C LYS A 78 -3.893 -13.228 -5.005 1.00 0.00 C ATOM 987 O LYS A 78 -3.036 -13.208 -4.151 1.00 0.00 O ATOM 988 CB LYS A 78 -5.559 -14.880 -5.864 1.00 0.00 C ATOM 989 CG LYS A 78 -5.798 -15.966 -4.793 1.00 0.00 C ATOM 990 CD LYS A 78 -5.615 -17.360 -5.416 1.00 0.00 C ATOM 991 CE LYS A 78 -5.924 -18.420 -4.360 1.00 0.00 C ATOM 992 NZ LYS A 78 -7.354 -18.347 -3.953 1.00 0.00 N ATOM 0 H LYS A 78 -3.536 -15.962 -4.502 1.00 0.00 H new ATOM 0 HA LYS A 78 -3.771 -14.194 -6.902 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -6.191 -14.016 -5.660 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -5.846 -15.260 -6.844 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -5.101 -15.833 -3.965 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -6.803 -15.870 -4.382 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -6.277 -17.479 -6.274 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -4.595 -17.478 -5.781 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -5.702 -19.411 -4.755 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -5.284 -18.273 -3.490 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -7.646 -19.258 -3.545 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -7.475 -17.596 -3.244 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -7.941 -18.136 -4.785 1.00 0.00 H new ATOM 1006 N TYR A 79 -4.708 -12.231 -5.229 1.00 0.00 N ATOM 1007 CA TYR A 79 -4.599 -10.998 -4.417 1.00 0.00 C ATOM 1008 C TYR A 79 -5.926 -10.627 -3.826 1.00 0.00 C ATOM 1009 O TYR A 79 -6.954 -11.050 -4.295 1.00 0.00 O ATOM 1010 CB TYR A 79 -4.148 -9.862 -5.335 1.00 0.00 C ATOM 1011 CG TYR A 79 -2.653 -9.993 -5.595 1.00 0.00 C ATOM 1012 CD1 TYR A 79 -2.171 -11.007 -6.393 1.00 0.00 C ATOM 1013 CD2 TYR A 79 -1.768 -9.095 -5.046 1.00 0.00 C ATOM 1014 CE1 TYR A 79 -0.825 -11.121 -6.645 1.00 0.00 C ATOM 1015 CE2 TYR A 79 -0.418 -9.205 -5.295 1.00 0.00 C ATOM 1016 CZ TYR A 79 0.067 -10.220 -6.098 1.00 0.00 C ATOM 1017 OH TYR A 79 1.421 -10.333 -6.345 1.00 0.00 O ATOM 0 H TYR A 79 -5.441 -12.223 -5.939 1.00 0.00 H new ATOM 0 HA TYR A 79 -3.888 -11.167 -3.608 1.00 0.00 H new ATOM 0 HB2 TYR A 79 -4.698 -9.898 -6.276 1.00 0.00 H new ATOM 0 HB3 TYR A 79 -4.366 -8.898 -4.875 1.00 0.00 H new ATOM 0 HD1 TYR A 79 -2.858 -11.720 -6.825 1.00 0.00 H new ATOM 0 HD2 TYR A 79 -2.134 -8.298 -4.415 1.00 0.00 H new ATOM 0 HE1 TYR A 79 -0.463 -11.920 -7.275 1.00 0.00 H new ATOM 0 HE2 TYR A 79 0.267 -8.493 -4.859 1.00 0.00 H new ATOM 0 HH TYR A 79 1.899 -9.614 -5.881 1.00 0.00 H new ATOM 1027 N GLY A 80 -5.871 -9.828 -2.809 1.00 0.00 N ATOM 1028 CA GLY A 80 -7.113 -9.391 -2.140 1.00 0.00 C ATOM 1029 C GLY A 80 -7.103 -7.885 -2.037 1.00 0.00 C ATOM 1030 O GLY A 80 -6.253 -7.313 -1.377 1.00 0.00 O ATOM 0 H GLY A 80 -5.010 -9.456 -2.409 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -7.984 -9.725 -2.704 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -7.185 -9.837 -1.148 1.00 0.00 H new ATOM 1034 N PHE A 81 -8.022 -7.267 -2.716 1.00 0.00 N ATOM 1035 CA PHE A 81 -8.089 -5.800 -2.676 1.00 0.00 C ATOM 1036 C PHE A 81 -9.518 -5.334 -2.847 1.00 0.00 C ATOM 1037 O PHE A 81 -9.898 -4.280 -2.379 1.00 0.00 O ATOM 1038 CB PHE A 81 -7.249 -5.252 -3.831 1.00 0.00 C ATOM 1039 CG PHE A 81 -6.317 -4.176 -3.290 1.00 0.00 C ATOM 1040 CD1 PHE A 81 -5.259 -4.515 -2.469 1.00 0.00 C ATOM 1041 CD2 PHE A 81 -6.555 -2.846 -3.562 1.00 0.00 C ATOM 1042 CE1 PHE A 81 -4.462 -3.537 -1.925 1.00 0.00 C ATOM 1043 CE2 PHE A 81 -5.755 -1.870 -3.017 1.00 0.00 C ATOM 1044 CZ PHE A 81 -4.709 -2.218 -2.198 1.00 0.00 C ATOM 0 H PHE A 81 -8.727 -7.722 -3.296 1.00 0.00 H new ATOM 0 HA PHE A 81 -7.714 -5.444 -1.716 1.00 0.00 H new ATOM 0 HB2 PHE A 81 -6.673 -6.054 -4.293 1.00 0.00 H new ATOM 0 HB3 PHE A 81 -7.895 -4.838 -4.605 1.00 0.00 H new ATOM 0 HD1 PHE A 81 -5.057 -5.554 -2.254 1.00 0.00 H new ATOM 0 HD2 PHE A 81 -7.375 -2.569 -4.207 1.00 0.00 H new ATOM 0 HE1 PHE A 81 -3.639 -3.809 -1.281 1.00 0.00 H new ATOM 0 HE2 PHE A 81 -5.949 -0.830 -3.233 1.00 0.00 H new ATOM 0 HZ PHE A 81 -4.081 -1.451 -1.769 1.00 0.00 H new ATOM 1054 N SER A 82 -10.284 -6.134 -3.516 1.00 0.00 N ATOM 1055 CA SER A 82 -11.705 -5.769 -3.740 1.00 0.00 C ATOM 1056 C SER A 82 -12.581 -7.006 -3.855 1.00 0.00 C ATOM 1057 O SER A 82 -13.606 -7.108 -3.211 1.00 0.00 O ATOM 1058 CB SER A 82 -11.799 -4.972 -5.044 1.00 0.00 C ATOM 1059 OG SER A 82 -12.500 -3.791 -4.679 1.00 0.00 O ATOM 0 H SER A 82 -9.992 -7.025 -3.919 1.00 0.00 H new ATOM 0 HA SER A 82 -12.054 -5.180 -2.892 1.00 0.00 H new ATOM 0 HB2 SER A 82 -10.811 -4.742 -5.443 1.00 0.00 H new ATOM 0 HB3 SER A 82 -12.332 -5.530 -5.814 1.00 0.00 H new ATOM 0 HG SER A 82 -12.604 -3.216 -5.466 1.00 0.00 H new ATOM 1065 N ASP A 83 -12.162 -7.919 -4.675 1.00 0.00 N ATOM 1066 CA ASP A 83 -12.951 -9.165 -4.854 1.00 0.00 C ATOM 1067 C ASP A 83 -12.510 -10.220 -3.819 1.00 0.00 C ATOM 1068 O ASP A 83 -11.414 -10.144 -3.311 1.00 0.00 O ATOM 1069 CB ASP A 83 -12.664 -9.714 -6.273 1.00 0.00 C ATOM 1070 CG ASP A 83 -13.931 -9.602 -7.129 1.00 0.00 C ATOM 1071 OD1 ASP A 83 -14.272 -8.474 -7.446 1.00 0.00 O ATOM 1072 OD2 ASP A 83 -14.484 -10.652 -7.418 1.00 0.00 O ATOM 0 H ASP A 83 -11.308 -7.859 -5.230 1.00 0.00 H new ATOM 0 HA ASP A 83 -14.012 -8.953 -4.722 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -11.850 -9.154 -6.734 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -12.342 -10.754 -6.214 1.00 0.00 H new ATOM 1077 N PRO A 84 -13.383 -11.190 -3.509 1.00 0.00 N ATOM 1078 CA PRO A 84 -13.040 -12.233 -2.537 1.00 0.00 C ATOM 1079 C PRO A 84 -11.849 -13.063 -3.047 1.00 0.00 C ATOM 1080 O PRO A 84 -12.001 -14.204 -3.438 1.00 0.00 O ATOM 1081 CB PRO A 84 -14.321 -13.114 -2.431 1.00 0.00 C ATOM 1082 CG PRO A 84 -15.317 -12.603 -3.516 1.00 0.00 C ATOM 1083 CD PRO A 84 -14.737 -11.296 -4.089 1.00 0.00 C ATOM 0 HA PRO A 84 -12.746 -11.823 -1.571 1.00 0.00 H new ATOM 0 HB2 PRO A 84 -14.081 -14.165 -2.592 1.00 0.00 H new ATOM 0 HB3 PRO A 84 -14.761 -13.037 -1.437 1.00 0.00 H new ATOM 0 HG2 PRO A 84 -15.442 -13.346 -4.304 1.00 0.00 H new ATOM 0 HG3 PRO A 84 -16.302 -12.429 -3.083 1.00 0.00 H new ATOM 0 HD2 PRO A 84 -14.698 -11.326 -5.178 1.00 0.00 H new ATOM 0 HD3 PRO A 84 -15.352 -10.438 -3.815 1.00 0.00 H new ATOM 1091 N LEU A 85 -10.680 -12.454 -3.014 1.00 0.00 N ATOM 1092 CA LEU A 85 -9.447 -13.148 -3.485 1.00 0.00 C ATOM 1093 C LEU A 85 -9.761 -14.152 -4.597 1.00 0.00 C ATOM 1094 O LEU A 85 -9.239 -15.250 -4.633 1.00 0.00 O ATOM 1095 CB LEU A 85 -8.789 -13.855 -2.275 1.00 0.00 C ATOM 1096 CG LEU A 85 -7.769 -12.894 -1.633 1.00 0.00 C ATOM 1097 CD1 LEU A 85 -7.705 -13.142 -0.134 1.00 0.00 C ATOM 1098 CD2 LEU A 85 -6.390 -13.147 -2.239 1.00 0.00 C ATOM 0 H LEU A 85 -10.535 -11.502 -2.678 1.00 0.00 H new ATOM 0 HA LEU A 85 -8.759 -12.414 -3.905 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -9.548 -14.142 -1.547 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -8.294 -14.771 -2.597 1.00 0.00 H new ATOM 0 HG LEU A 85 -8.075 -11.865 -1.819 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -6.983 -12.461 0.317 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -8.688 -12.972 0.305 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -7.398 -14.171 0.052 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -5.665 -12.470 -1.788 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -6.092 -14.178 -2.047 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -6.428 -12.974 -3.315 1.00 0.00 H new ATOM 1110 N THR A 86 -10.619 -13.738 -5.491 1.00 0.00 N ATOM 1111 CA THR A 86 -11.000 -14.622 -6.617 1.00 0.00 C ATOM 1112 C THR A 86 -10.132 -14.330 -7.834 1.00 0.00 C ATOM 1113 O THR A 86 -9.684 -15.233 -8.512 1.00 0.00 O ATOM 1114 CB THR A 86 -12.462 -14.339 -6.978 1.00 0.00 C ATOM 1115 OG1 THR A 86 -13.051 -13.850 -5.791 1.00 0.00 O ATOM 1116 CG2 THR A 86 -13.216 -15.644 -7.272 1.00 0.00 C ATOM 0 H THR A 86 -11.070 -12.823 -5.485 1.00 0.00 H new ATOM 0 HA THR A 86 -10.864 -15.663 -6.323 1.00 0.00 H new ATOM 0 HB THR A 86 -12.507 -13.670 -7.837 1.00 0.00 H new ATOM 0 HG1 THR A 86 -12.745 -14.385 -5.029 1.00 0.00 H new ATOM 0 HG21 THR A 86 -14.251 -15.417 -7.526 1.00 0.00 H new ATOM 0 HG22 THR A 86 -12.742 -16.158 -8.108 1.00 0.00 H new ATOM 0 HG23 THR A 86 -13.191 -16.285 -6.391 1.00 0.00 H new ATOM 1124 N PHE A 87 -9.906 -13.066 -8.087 1.00 0.00 N ATOM 1125 CA PHE A 87 -9.072 -12.697 -9.251 1.00 0.00 C ATOM 1126 C PHE A 87 -7.621 -13.056 -8.984 1.00 0.00 C ATOM 1127 O PHE A 87 -7.333 -14.119 -8.470 1.00 0.00 O ATOM 1128 CB PHE A 87 -9.203 -11.168 -9.511 1.00 0.00 C ATOM 1129 CG PHE A 87 -8.451 -10.354 -8.435 1.00 0.00 C ATOM 1130 CD1 PHE A 87 -8.888 -10.341 -7.119 1.00 0.00 C ATOM 1131 CD2 PHE A 87 -7.330 -9.603 -8.773 1.00 0.00 C ATOM 1132 CE1 PHE A 87 -8.220 -9.597 -6.169 1.00 0.00 C ATOM 1133 CE2 PHE A 87 -6.669 -8.863 -7.817 1.00 0.00 C ATOM 1134 CZ PHE A 87 -7.114 -8.862 -6.518 1.00 0.00 C ATOM 0 H PHE A 87 -10.264 -12.284 -7.538 1.00 0.00 H new ATOM 0 HA PHE A 87 -9.411 -13.245 -10.130 1.00 0.00 H new ATOM 0 HB2 PHE A 87 -8.805 -10.928 -10.497 1.00 0.00 H new ATOM 0 HB3 PHE A 87 -10.256 -10.886 -9.515 1.00 0.00 H new ATOM 0 HD1 PHE A 87 -9.757 -10.917 -6.836 1.00 0.00 H new ATOM 0 HD2 PHE A 87 -6.975 -9.600 -9.793 1.00 0.00 H new ATOM 0 HE1 PHE A 87 -8.568 -9.593 -5.147 1.00 0.00 H new ATOM 0 HE2 PHE A 87 -5.800 -8.283 -8.090 1.00 0.00 H new ATOM 0 HZ PHE A 87 -6.593 -8.282 -5.770 1.00 0.00 H new ATOM 1144 N ASN A 88 -6.732 -12.182 -9.332 1.00 0.00 N ATOM 1145 CA ASN A 88 -5.303 -12.490 -9.090 1.00 0.00 C ATOM 1146 C ASN A 88 -4.375 -11.348 -9.513 1.00 0.00 C ATOM 1147 O ASN A 88 -3.747 -10.718 -8.694 1.00 0.00 O ATOM 1148 CB ASN A 88 -4.940 -13.738 -9.909 1.00 0.00 C ATOM 1149 CG ASN A 88 -5.698 -13.712 -11.238 1.00 0.00 C ATOM 1150 OD1 ASN A 88 -6.835 -14.131 -11.326 1.00 0.00 O ATOM 1151 ND2 ASN A 88 -5.105 -13.229 -12.294 1.00 0.00 N ATOM 0 H ASN A 88 -6.926 -11.280 -9.767 1.00 0.00 H new ATOM 0 HA ASN A 88 -5.169 -12.646 -8.020 1.00 0.00 H new ATOM 0 HB2 ASN A 88 -3.866 -13.767 -10.091 1.00 0.00 H new ATOM 0 HB3 ASN A 88 -5.193 -14.639 -9.351 1.00 0.00 H new ATOM 0 HD21 ASN A 88 -5.596 -13.204 -13.188 1.00 0.00 H new ATOM 0 HD22 ASN A 88 -4.151 -12.876 -12.226 1.00 0.00 H new ATOM 1158 N SER A 89 -4.324 -11.098 -10.780 1.00 0.00 N ATOM 1159 CA SER A 89 -3.439 -10.002 -11.282 1.00 0.00 C ATOM 1160 C SER A 89 -3.844 -8.610 -10.797 1.00 0.00 C ATOM 1161 O SER A 89 -5.009 -8.209 -10.842 1.00 0.00 O ATOM 1162 CB SER A 89 -3.469 -10.002 -12.802 1.00 0.00 C ATOM 1163 OG SER A 89 -4.325 -11.086 -13.140 1.00 0.00 O ATOM 0 H SER A 89 -4.851 -11.597 -11.497 1.00 0.00 H new ATOM 0 HA SER A 89 -2.443 -10.204 -10.888 1.00 0.00 H new ATOM 0 HB2 SER A 89 -3.851 -9.058 -13.192 1.00 0.00 H new ATOM 0 HB3 SER A 89 -2.471 -10.139 -13.219 1.00 0.00 H new ATOM 0 HG SER A 89 -5.258 -10.788 -13.109 1.00 0.00 H new ATOM 1169 N VAL A 90 -2.848 -7.882 -10.390 1.00 0.00 N ATOM 1170 CA VAL A 90 -3.086 -6.515 -9.892 1.00 0.00 C ATOM 1171 C VAL A 90 -3.156 -5.549 -11.047 1.00 0.00 C ATOM 1172 O VAL A 90 -3.881 -4.573 -11.004 1.00 0.00 O ATOM 1173 CB VAL A 90 -1.920 -6.111 -8.978 1.00 0.00 C ATOM 1174 CG1 VAL A 90 -2.128 -4.671 -8.505 1.00 0.00 C ATOM 1175 CG2 VAL A 90 -1.886 -7.040 -7.764 1.00 0.00 C ATOM 0 H VAL A 90 -1.873 -8.182 -10.383 1.00 0.00 H new ATOM 0 HA VAL A 90 -4.028 -6.490 -9.344 1.00 0.00 H new ATOM 0 HB VAL A 90 -0.980 -6.187 -9.525 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -1.303 -4.379 -7.855 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -2.164 -4.006 -9.368 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -3.066 -4.601 -7.954 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -1.060 -6.757 -7.112 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -2.825 -6.958 -7.216 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -1.749 -8.069 -8.097 1.00 0.00 H new ATOM 1185 N VAL A 91 -2.400 -5.829 -12.067 1.00 0.00 N ATOM 1186 CA VAL A 91 -2.420 -4.934 -13.223 1.00 0.00 C ATOM 1187 C VAL A 91 -3.843 -4.795 -13.673 1.00 0.00 C ATOM 1188 O VAL A 91 -4.284 -3.735 -14.042 1.00 0.00 O ATOM 1189 CB VAL A 91 -1.586 -5.572 -14.354 1.00 0.00 C ATOM 1190 CG1 VAL A 91 -0.901 -4.483 -15.199 1.00 0.00 C ATOM 1191 CG2 VAL A 91 -0.520 -6.463 -13.744 1.00 0.00 C ATOM 0 H VAL A 91 -1.778 -6.634 -12.139 1.00 0.00 H new ATOM 0 HA VAL A 91 -2.006 -3.958 -12.969 1.00 0.00 H new ATOM 0 HB VAL A 91 -2.249 -6.155 -14.994 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -0.317 -4.951 -15.992 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -1.658 -3.835 -15.640 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -0.242 -3.891 -14.564 1.00 0.00 H new ATOM 0 HG21 VAL A 91 0.073 -6.917 -14.538 1.00 0.00 H new ATOM 0 HG22 VAL A 91 0.129 -5.867 -13.102 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -0.995 -7.246 -13.153 1.00 0.00 H new ATOM 1201 N GLU A 92 -4.542 -5.887 -13.617 1.00 0.00 N ATOM 1202 CA GLU A 92 -5.956 -5.864 -14.031 1.00 0.00 C ATOM 1203 C GLU A 92 -6.721 -4.963 -13.093 1.00 0.00 C ATOM 1204 O GLU A 92 -7.404 -4.051 -13.516 1.00 0.00 O ATOM 1205 CB GLU A 92 -6.529 -7.286 -13.926 1.00 0.00 C ATOM 1206 CG GLU A 92 -5.929 -8.150 -15.031 1.00 0.00 C ATOM 1207 CD GLU A 92 -6.469 -7.685 -16.383 1.00 0.00 C ATOM 1208 OE1 GLU A 92 -7.614 -8.011 -16.651 1.00 0.00 O ATOM 1209 OE2 GLU A 92 -5.707 -7.027 -17.072 1.00 0.00 O ATOM 0 H GLU A 92 -4.192 -6.792 -13.302 1.00 0.00 H new ATOM 0 HA GLU A 92 -6.040 -5.501 -15.055 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -6.300 -7.712 -12.949 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -7.615 -7.261 -14.016 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -4.842 -8.077 -15.016 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -6.180 -9.198 -14.867 1.00 0.00 H new ATOM 1216 N LEU A 93 -6.591 -5.235 -11.821 1.00 0.00 N ATOM 1217 CA LEU A 93 -7.310 -4.393 -10.830 1.00 0.00 C ATOM 1218 C LEU A 93 -6.854 -2.946 -10.953 1.00 0.00 C ATOM 1219 O LEU A 93 -7.592 -2.094 -11.415 1.00 0.00 O ATOM 1220 CB LEU A 93 -6.964 -4.922 -9.413 1.00 0.00 C ATOM 1221 CG LEU A 93 -7.548 -3.992 -8.324 1.00 0.00 C ATOM 1222 CD1 LEU A 93 -8.457 -4.802 -7.411 1.00 0.00 C ATOM 1223 CD2 LEU A 93 -6.403 -3.414 -7.486 1.00 0.00 C ATOM 0 H LEU A 93 -6.027 -5.991 -11.433 1.00 0.00 H new ATOM 0 HA LEU A 93 -8.385 -4.439 -11.007 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -7.361 -5.930 -9.289 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -5.882 -4.989 -9.299 1.00 0.00 H new ATOM 0 HG LEU A 93 -8.110 -3.186 -8.796 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -8.872 -4.152 -6.641 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -9.268 -5.235 -7.996 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -7.883 -5.600 -6.941 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -6.810 -2.758 -6.717 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -5.851 -4.227 -7.014 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -5.732 -2.846 -8.130 1.00 0.00 H new ATOM 1235 N ILE A 94 -5.651 -2.696 -10.529 1.00 0.00 N ATOM 1236 CA ILE A 94 -5.118 -1.326 -10.605 1.00 0.00 C ATOM 1237 C ILE A 94 -5.494 -0.659 -11.932 1.00 0.00 C ATOM 1238 O ILE A 94 -5.845 0.502 -11.962 1.00 0.00 O ATOM 1239 CB ILE A 94 -3.571 -1.415 -10.443 1.00 0.00 C ATOM 1240 CG1 ILE A 94 -3.087 -0.480 -9.324 1.00 0.00 C ATOM 1241 CG2 ILE A 94 -2.836 -1.035 -11.756 1.00 0.00 C ATOM 1242 CD1 ILE A 94 -3.627 0.956 -9.516 1.00 0.00 C ATOM 0 H ILE A 94 -5.016 -3.389 -10.132 1.00 0.00 H new ATOM 0 HA ILE A 94 -5.547 -0.711 -9.814 1.00 0.00 H new ATOM 0 HB ILE A 94 -3.339 -2.450 -10.191 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -3.413 -0.867 -8.358 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -1.997 -0.462 -9.309 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -1.759 -1.109 -11.605 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -3.138 -1.716 -12.552 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -3.094 -0.013 -12.035 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -3.266 1.592 -8.707 1.00 0.00 H new ATOM 0 HD12 ILE A 94 -3.280 1.351 -10.471 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -4.717 0.939 -9.505 1.00 0.00 H new ATOM 1254 N ASN A 95 -5.428 -1.397 -13.002 1.00 0.00 N ATOM 1255 CA ASN A 95 -5.785 -0.790 -14.304 1.00 0.00 C ATOM 1256 C ASN A 95 -7.220 -0.291 -14.270 1.00 0.00 C ATOM 1257 O ASN A 95 -7.514 0.820 -14.696 1.00 0.00 O ATOM 1258 CB ASN A 95 -5.659 -1.855 -15.404 1.00 0.00 C ATOM 1259 CG ASN A 95 -6.336 -1.345 -16.675 1.00 0.00 C ATOM 1260 OD1 ASN A 95 -5.686 -0.947 -17.620 1.00 0.00 O ATOM 1261 ND2 ASN A 95 -7.638 -1.338 -16.739 1.00 0.00 N ATOM 0 H ASN A 95 -5.147 -2.377 -13.030 1.00 0.00 H new ATOM 0 HA ASN A 95 -5.115 0.046 -14.505 1.00 0.00 H new ATOM 0 HB2 ASN A 95 -4.609 -2.072 -15.599 1.00 0.00 H new ATOM 0 HB3 ASN A 95 -6.122 -2.787 -15.080 1.00 0.00 H new ATOM 0 HD21 ASN A 95 -8.105 -0.999 -17.580 1.00 0.00 H new ATOM 0 HD22 ASN A 95 -8.189 -1.671 -15.948 1.00 0.00 H new ATOM 1268 N HIS A 96 -8.092 -1.116 -13.747 1.00 0.00 N ATOM 1269 CA HIS A 96 -9.511 -0.720 -13.670 1.00 0.00 C ATOM 1270 C HIS A 96 -9.670 0.541 -12.834 1.00 0.00 C ATOM 1271 O HIS A 96 -10.651 1.248 -12.957 1.00 0.00 O ATOM 1272 CB HIS A 96 -10.292 -1.861 -13.004 1.00 0.00 C ATOM 1273 CG HIS A 96 -11.343 -2.392 -13.981 1.00 0.00 C ATOM 1274 ND1 HIS A 96 -12.493 -1.926 -14.113 1.00 0.00 N ATOM 1275 CD2 HIS A 96 -11.263 -3.438 -14.879 1.00 0.00 C ATOM 1276 CE1 HIS A 96 -13.152 -2.557 -14.994 1.00 0.00 C ATOM 1277 NE2 HIS A 96 -12.447 -3.547 -15.543 1.00 0.00 N ATOM 0 H HIS A 96 -7.874 -2.040 -13.374 1.00 0.00 H new ATOM 0 HA HIS A 96 -9.887 -0.523 -14.674 1.00 0.00 H new ATOM 0 HB2 HIS A 96 -9.612 -2.662 -12.713 1.00 0.00 H new ATOM 0 HB3 HIS A 96 -10.773 -1.505 -12.093 1.00 0.00 H new ATOM 0 HD2 HIS A 96 -10.400 -4.069 -15.031 1.00 0.00 H new ATOM 0 HE1 HIS A 96 -14.169 -2.319 -15.269 1.00 0.00 H new ATOM 0 HE2 HIS A 96 -12.722 -4.210 -16.268 1.00 0.00 H new ATOM 1285 N TYR A 97 -8.698 0.800 -11.996 1.00 0.00 N ATOM 1286 CA TYR A 97 -8.781 2.014 -11.144 1.00 0.00 C ATOM 1287 C TYR A 97 -8.047 3.188 -11.775 1.00 0.00 C ATOM 1288 O TYR A 97 -8.454 4.324 -11.626 1.00 0.00 O ATOM 1289 CB TYR A 97 -8.155 1.695 -9.783 1.00 0.00 C ATOM 1290 CG TYR A 97 -9.268 1.251 -8.831 1.00 0.00 C ATOM 1291 CD1 TYR A 97 -10.282 2.122 -8.491 1.00 0.00 C ATOM 1292 CD2 TYR A 97 -9.287 -0.027 -8.318 1.00 0.00 C ATOM 1293 CE1 TYR A 97 -11.300 1.725 -7.654 1.00 0.00 C ATOM 1294 CE2 TYR A 97 -10.307 -0.428 -7.479 1.00 0.00 C ATOM 1295 CZ TYR A 97 -11.322 0.445 -7.139 1.00 0.00 C ATOM 1296 OH TYR A 97 -12.343 0.044 -6.301 1.00 0.00 O ATOM 0 H TYR A 97 -7.863 0.229 -11.869 1.00 0.00 H new ATOM 0 HA TYR A 97 -9.828 2.295 -11.034 1.00 0.00 H new ATOM 0 HB2 TYR A 97 -7.407 0.909 -9.885 1.00 0.00 H new ATOM 0 HB3 TYR A 97 -7.644 2.572 -9.386 1.00 0.00 H new ATOM 0 HD1 TYR A 97 -10.277 3.127 -8.886 1.00 0.00 H new ATOM 0 HD2 TYR A 97 -8.499 -0.720 -8.574 1.00 0.00 H new ATOM 0 HE1 TYR A 97 -12.087 2.420 -7.399 1.00 0.00 H new ATOM 0 HE2 TYR A 97 -10.312 -1.433 -7.085 1.00 0.00 H new ATOM 0 HH TYR A 97 -12.200 -0.888 -6.034 1.00 0.00 H new ATOM 1306 N ARG A 98 -6.985 2.906 -12.472 1.00 0.00 N ATOM 1307 CA ARG A 98 -6.233 4.005 -13.108 1.00 0.00 C ATOM 1308 C ARG A 98 -7.157 4.840 -13.981 1.00 0.00 C ATOM 1309 O ARG A 98 -7.231 6.046 -13.836 1.00 0.00 O ATOM 1310 CB ARG A 98 -5.138 3.393 -13.987 1.00 0.00 C ATOM 1311 CG ARG A 98 -3.774 3.660 -13.349 1.00 0.00 C ATOM 1312 CD ARG A 98 -2.718 2.807 -14.051 1.00 0.00 C ATOM 1313 NE ARG A 98 -2.743 3.112 -15.513 1.00 0.00 N ATOM 1314 CZ ARG A 98 -1.621 3.172 -16.180 1.00 0.00 C ATOM 1315 NH1 ARG A 98 -0.755 4.101 -15.880 1.00 0.00 N ATOM 1316 NH2 ARG A 98 -1.403 2.299 -17.127 1.00 0.00 N ATOM 0 H ARG A 98 -6.612 1.969 -12.625 1.00 0.00 H new ATOM 0 HA ARG A 98 -5.801 4.644 -12.338 1.00 0.00 H new ATOM 0 HB2 ARG A 98 -5.299 2.320 -14.095 1.00 0.00 H new ATOM 0 HB3 ARG A 98 -5.175 3.823 -14.988 1.00 0.00 H new ATOM 0 HG2 ARG A 98 -3.520 4.717 -13.433 1.00 0.00 H new ATOM 0 HG3 ARG A 98 -3.803 3.422 -12.286 1.00 0.00 H new ATOM 0 HD2 ARG A 98 -1.730 3.015 -13.639 1.00 0.00 H new ATOM 0 HD3 ARG A 98 -2.916 1.748 -13.883 1.00 0.00 H new ATOM 0 HE ARG A 98 -3.631 3.273 -15.988 1.00 0.00 H new ATOM 0 HH11 ARG A 98 -0.959 4.767 -15.134 1.00 0.00 H new ATOM 0 HH12 ARG A 98 0.126 4.162 -16.391 1.00 0.00 H new ATOM 0 HH21 ARG A 98 -2.103 1.587 -17.335 1.00 0.00 H new ATOM 0 HH22 ARG A 98 -0.533 2.330 -17.659 1.00 0.00 H new ATOM 1330 N ASN A 99 -7.854 4.185 -14.872 1.00 0.00 N ATOM 1331 CA ASN A 99 -8.779 4.937 -15.759 1.00 0.00 C ATOM 1332 C ASN A 99 -9.915 5.549 -14.949 1.00 0.00 C ATOM 1333 O ASN A 99 -10.442 6.588 -15.296 1.00 0.00 O ATOM 1334 CB ASN A 99 -9.372 3.962 -16.779 1.00 0.00 C ATOM 1335 CG ASN A 99 -9.086 4.470 -18.196 1.00 0.00 C ATOM 1336 OD1 ASN A 99 -8.136 4.063 -18.834 1.00 0.00 O ATOM 1337 ND2 ASN A 99 -9.884 5.358 -18.725 1.00 0.00 N ATOM 0 H ASN A 99 -7.822 3.176 -15.020 1.00 0.00 H new ATOM 0 HA ASN A 99 -8.229 5.736 -16.257 1.00 0.00 H new ATOM 0 HB2 ASN A 99 -8.941 2.970 -16.643 1.00 0.00 H new ATOM 0 HB3 ASN A 99 -10.447 3.867 -16.625 1.00 0.00 H new ATOM 0 HD21 ASN A 99 -9.707 5.705 -19.668 1.00 0.00 H new ATOM 0 HD22 ASN A 99 -10.684 5.705 -18.195 1.00 0.00 H new ATOM 1344 N GLU A 100 -10.267 4.891 -13.876 1.00 0.00 N ATOM 1345 CA GLU A 100 -11.366 5.409 -13.022 1.00 0.00 C ATOM 1346 C GLU A 100 -10.817 6.187 -11.834 1.00 0.00 C ATOM 1347 O GLU A 100 -10.281 7.268 -11.989 1.00 0.00 O ATOM 1348 CB GLU A 100 -12.174 4.217 -12.492 1.00 0.00 C ATOM 1349 CG GLU A 100 -12.792 3.467 -13.671 1.00 0.00 C ATOM 1350 CD GLU A 100 -14.037 2.712 -13.193 1.00 0.00 C ATOM 1351 OE1 GLU A 100 -14.034 2.345 -12.029 1.00 0.00 O ATOM 1352 OE2 GLU A 100 -14.920 2.546 -14.019 1.00 0.00 O ATOM 0 H GLU A 100 -9.840 4.021 -13.558 1.00 0.00 H new ATOM 0 HA GLU A 100 -11.988 6.075 -13.619 1.00 0.00 H new ATOM 0 HB2 GLU A 100 -11.529 3.551 -11.919 1.00 0.00 H new ATOM 0 HB3 GLU A 100 -12.955 4.564 -11.816 1.00 0.00 H new ATOM 0 HG2 GLU A 100 -13.059 4.167 -14.463 1.00 0.00 H new ATOM 0 HG3 GLU A 100 -12.069 2.769 -14.093 1.00 0.00 H new ATOM 1359 N SER A 101 -10.956 5.622 -10.664 1.00 0.00 N ATOM 1360 CA SER A 101 -10.450 6.318 -9.458 1.00 0.00 C ATOM 1361 C SER A 101 -10.843 5.570 -8.200 1.00 0.00 C ATOM 1362 O SER A 101 -11.833 4.864 -8.176 1.00 0.00 O ATOM 1363 CB SER A 101 -11.085 7.709 -9.406 1.00 0.00 C ATOM 1364 OG SER A 101 -11.111 8.026 -8.021 1.00 0.00 O ATOM 0 H SER A 101 -11.395 4.716 -10.497 1.00 0.00 H new ATOM 0 HA SER A 101 -9.363 6.376 -9.512 1.00 0.00 H new ATOM 0 HB2 SER A 101 -10.500 8.436 -9.970 1.00 0.00 H new ATOM 0 HB3 SER A 101 -12.088 7.706 -9.833 1.00 0.00 H new ATOM 0 HG SER A 101 -10.210 8.275 -7.725 1.00 0.00 H new ATOM 1370 N LEU A 102 -10.066 5.738 -7.174 1.00 0.00 N ATOM 1371 CA LEU A 102 -10.380 5.047 -5.911 1.00 0.00 C ATOM 1372 C LEU A 102 -11.261 5.923 -5.049 1.00 0.00 C ATOM 1373 O LEU A 102 -10.854 6.395 -4.004 1.00 0.00 O ATOM 1374 CB LEU A 102 -9.062 4.745 -5.166 1.00 0.00 C ATOM 1375 CG LEU A 102 -8.213 3.795 -6.023 1.00 0.00 C ATOM 1376 CD1 LEU A 102 -7.234 4.606 -6.856 1.00 0.00 C ATOM 1377 CD2 LEU A 102 -7.425 2.841 -5.125 1.00 0.00 C ATOM 0 H LEU A 102 -9.231 6.323 -7.159 1.00 0.00 H new ATOM 0 HA LEU A 102 -10.908 4.117 -6.124 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -8.517 5.669 -4.975 1.00 0.00 H new ATOM 0 HB3 LEU A 102 -9.272 4.292 -4.197 1.00 0.00 H new ATOM 0 HG LEU A 102 -8.873 3.220 -6.673 1.00 0.00 H new ATOM 0 HD11 LEU A 102 -6.630 3.933 -7.465 1.00 0.00 H new ATOM 0 HD12 LEU A 102 -7.785 5.287 -7.505 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -6.584 5.180 -6.196 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -6.826 2.171 -5.742 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -6.769 3.415 -4.471 1.00 0.00 H new ATOM 0 HD23 LEU A 102 -8.117 2.255 -4.521 1.00 0.00 H new ATOM 1389 N ALA A 103 -12.450 6.156 -5.523 1.00 0.00 N ATOM 1390 CA ALA A 103 -13.379 6.997 -4.753 1.00 0.00 C ATOM 1391 C ALA A 103 -13.957 6.213 -3.586 1.00 0.00 C ATOM 1392 O ALA A 103 -14.595 6.766 -2.715 1.00 0.00 O ATOM 1393 CB ALA A 103 -14.524 7.437 -5.680 1.00 0.00 C ATOM 0 H ALA A 103 -12.810 5.798 -6.408 1.00 0.00 H new ATOM 0 HA ALA A 103 -12.845 7.864 -4.365 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -15.223 8.062 -5.124 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -14.117 8.004 -6.517 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -15.045 6.557 -6.057 1.00 0.00 H new ATOM 1399 N GLN A 104 -13.714 4.930 -3.591 1.00 0.00 N ATOM 1400 CA GLN A 104 -14.238 4.086 -2.492 1.00 0.00 C ATOM 1401 C GLN A 104 -13.365 4.209 -1.249 1.00 0.00 C ATOM 1402 O GLN A 104 -13.849 4.090 -0.141 1.00 0.00 O ATOM 1403 CB GLN A 104 -14.229 2.613 -2.956 1.00 0.00 C ATOM 1404 CG GLN A 104 -15.670 2.096 -3.081 1.00 0.00 C ATOM 1405 CD GLN A 104 -16.341 2.761 -4.284 1.00 0.00 C ATOM 1406 OE1 GLN A 104 -17.212 3.596 -4.142 1.00 0.00 O ATOM 1407 NE2 GLN A 104 -15.966 2.417 -5.486 1.00 0.00 N ATOM 0 H GLN A 104 -13.178 4.437 -4.306 1.00 0.00 H new ATOM 0 HA GLN A 104 -15.248 4.415 -2.247 1.00 0.00 H new ATOM 0 HB2 GLN A 104 -13.718 2.528 -3.915 1.00 0.00 H new ATOM 0 HB3 GLN A 104 -13.674 2.002 -2.244 1.00 0.00 H new ATOM 0 HG2 GLN A 104 -15.671 1.013 -3.202 1.00 0.00 H new ATOM 0 HG3 GLN A 104 -16.228 2.316 -2.171 1.00 0.00 H new ATOM 0 HE21 GLN A 104 -15.235 1.717 -5.611 1.00 0.00 H new ATOM 0 HE22 GLN A 104 -16.404 2.849 -6.300 1.00 0.00 H new ATOM 1416 N TYR A 105 -12.087 4.444 -1.452 1.00 0.00 N ATOM 1417 CA TYR A 105 -11.177 4.574 -0.283 1.00 0.00 C ATOM 1418 C TYR A 105 -11.816 5.402 0.827 1.00 0.00 C ATOM 1419 O TYR A 105 -12.389 4.859 1.752 1.00 0.00 O ATOM 1420 CB TYR A 105 -9.879 5.258 -0.748 1.00 0.00 C ATOM 1421 CG TYR A 105 -8.803 4.184 -0.968 1.00 0.00 C ATOM 1422 CD1 TYR A 105 -9.101 3.025 -1.659 1.00 0.00 C ATOM 1423 CD2 TYR A 105 -7.526 4.354 -0.467 1.00 0.00 C ATOM 1424 CE1 TYR A 105 -8.138 2.051 -1.846 1.00 0.00 C ATOM 1425 CE2 TYR A 105 -6.564 3.379 -0.654 1.00 0.00 C ATOM 1426 CZ TYR A 105 -6.863 2.221 -1.345 1.00 0.00 C ATOM 1427 OH TYR A 105 -5.903 1.247 -1.528 1.00 0.00 O ATOM 0 H TYR A 105 -11.647 4.549 -2.366 1.00 0.00 H new ATOM 0 HA TYR A 105 -10.970 3.581 0.115 1.00 0.00 H new ATOM 0 HB2 TYR A 105 -10.054 5.811 -1.671 1.00 0.00 H new ATOM 0 HB3 TYR A 105 -9.545 5.979 -0.002 1.00 0.00 H new ATOM 0 HD1 TYR A 105 -10.095 2.879 -2.056 1.00 0.00 H new ATOM 0 HD2 TYR A 105 -7.278 5.255 0.074 1.00 0.00 H new ATOM 0 HE1 TYR A 105 -8.385 1.150 -2.388 1.00 0.00 H new ATOM 0 HE2 TYR A 105 -5.570 3.524 -0.256 1.00 0.00 H new ATOM 0 HH TYR A 105 -6.339 0.389 -1.716 1.00 0.00 H new ATOM 1437 N ASN A 106 -11.712 6.694 0.722 1.00 0.00 N ATOM 1438 CA ASN A 106 -12.316 7.556 1.775 1.00 0.00 C ATOM 1439 C ASN A 106 -13.782 7.927 1.404 1.00 0.00 C ATOM 1440 O ASN A 106 -14.091 8.089 0.240 1.00 0.00 O ATOM 1441 CB ASN A 106 -11.491 8.850 1.868 1.00 0.00 C ATOM 1442 CG ASN A 106 -10.782 8.904 3.222 1.00 0.00 C ATOM 1443 OD1 ASN A 106 -10.133 7.963 3.635 1.00 0.00 O ATOM 1444 ND2 ASN A 106 -10.880 9.986 3.945 1.00 0.00 N ATOM 0 H ASN A 106 -11.242 7.188 -0.037 1.00 0.00 H new ATOM 0 HA ASN A 106 -12.317 7.019 2.724 1.00 0.00 H new ATOM 0 HB2 ASN A 106 -10.760 8.887 1.060 1.00 0.00 H new ATOM 0 HB3 ASN A 106 -12.140 9.718 1.750 1.00 0.00 H new ATOM 0 HD21 ASN A 106 -10.414 10.038 4.851 1.00 0.00 H new ATOM 0 HD22 ASN A 106 -11.423 10.779 3.604 1.00 0.00 H new ATOM 1451 N PRO A 107 -14.672 8.059 2.406 1.00 0.00 N ATOM 1452 CA PRO A 107 -16.074 8.407 2.136 1.00 0.00 C ATOM 1453 C PRO A 107 -16.239 9.856 1.640 1.00 0.00 C ATOM 1454 O PRO A 107 -16.373 10.099 0.457 1.00 0.00 O ATOM 1455 CB PRO A 107 -16.781 8.253 3.499 1.00 0.00 C ATOM 1456 CG PRO A 107 -15.669 8.152 4.578 1.00 0.00 C ATOM 1457 CD PRO A 107 -14.359 7.843 3.839 1.00 0.00 C ATOM 0 HA PRO A 107 -16.483 7.771 1.351 1.00 0.00 H new ATOM 0 HB2 PRO A 107 -17.432 9.105 3.694 1.00 0.00 H new ATOM 0 HB3 PRO A 107 -17.410 7.363 3.509 1.00 0.00 H new ATOM 0 HG2 PRO A 107 -15.587 9.084 5.137 1.00 0.00 H new ATOM 0 HG3 PRO A 107 -15.900 7.368 5.299 1.00 0.00 H new ATOM 0 HD2 PRO A 107 -13.554 8.498 4.171 1.00 0.00 H new ATOM 0 HD3 PRO A 107 -14.033 6.819 4.023 1.00 0.00 H new ATOM 1465 N LYS A 108 -16.226 10.784 2.566 1.00 0.00 N ATOM 1466 CA LYS A 108 -16.384 12.217 2.191 1.00 0.00 C ATOM 1467 C LYS A 108 -15.288 12.690 1.247 1.00 0.00 C ATOM 1468 O LYS A 108 -15.249 13.849 0.883 1.00 0.00 O ATOM 1469 CB LYS A 108 -16.310 13.056 3.476 1.00 0.00 C ATOM 1470 CG LYS A 108 -17.201 14.292 3.325 1.00 0.00 C ATOM 1471 CD LYS A 108 -17.050 15.173 4.569 1.00 0.00 C ATOM 1472 CE LYS A 108 -16.169 16.377 4.228 1.00 0.00 C ATOM 1473 NZ LYS A 108 -15.714 17.057 5.473 1.00 0.00 N ATOM 0 H LYS A 108 -16.113 10.607 3.564 1.00 0.00 H new ATOM 0 HA LYS A 108 -17.340 12.332 1.680 1.00 0.00 H new ATOM 0 HB2 LYS A 108 -16.634 12.462 4.331 1.00 0.00 H new ATOM 0 HB3 LYS A 108 -15.280 13.357 3.669 1.00 0.00 H new ATOM 0 HG2 LYS A 108 -16.921 14.851 2.432 1.00 0.00 H new ATOM 0 HG3 LYS A 108 -18.242 13.993 3.200 1.00 0.00 H new ATOM 0 HD2 LYS A 108 -18.028 15.509 4.913 1.00 0.00 H new ATOM 0 HD3 LYS A 108 -16.605 14.601 5.383 1.00 0.00 H new ATOM 0 HE2 LYS A 108 -15.306 16.051 3.648 1.00 0.00 H new ATOM 0 HE3 LYS A 108 -16.725 17.078 3.606 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 -15.117 17.872 5.225 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 -16.541 17.385 6.012 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 -15.166 16.390 6.052 1.00 0.00 H new ATOM 1487 N LEU A 109 -14.415 11.804 0.863 1.00 0.00 N ATOM 1488 CA LEU A 109 -13.330 12.231 -0.060 1.00 0.00 C ATOM 1489 C LEU A 109 -12.871 11.091 -0.952 1.00 0.00 C ATOM 1490 O LEU A 109 -12.667 9.985 -0.496 1.00 0.00 O ATOM 1491 CB LEU A 109 -12.128 12.704 0.784 1.00 0.00 C ATOM 1492 CG LEU A 109 -11.737 14.139 0.386 1.00 0.00 C ATOM 1493 CD1 LEU A 109 -10.718 14.674 1.396 1.00 0.00 C ATOM 1494 CD2 LEU A 109 -11.097 14.132 -1.010 1.00 0.00 C ATOM 0 H LEU A 109 -14.404 10.823 1.141 1.00 0.00 H new ATOM 0 HA LEU A 109 -13.714 13.030 -0.694 1.00 0.00 H new ATOM 0 HB2 LEU A 109 -12.381 12.668 1.844 1.00 0.00 H new ATOM 0 HB3 LEU A 109 -11.282 12.033 0.635 1.00 0.00 H new ATOM 0 HG LEU A 109 -12.626 14.769 0.376 1.00 0.00 H new ATOM 0 HD11 LEU A 109 -10.434 15.690 1.123 1.00 0.00 H new ATOM 0 HD12 LEU A 109 -11.160 14.676 2.392 1.00 0.00 H new ATOM 0 HD13 LEU A 109 -9.833 14.037 1.393 1.00 0.00 H new ATOM 0 HD21 LEU A 109 -10.821 15.149 -1.289 1.00 0.00 H new ATOM 0 HD22 LEU A 109 -10.206 13.505 -0.999 1.00 0.00 H new ATOM 0 HD23 LEU A 109 -11.809 13.737 -1.735 1.00 0.00 H new ATOM 1506 N ASP A 110 -12.714 11.391 -2.215 1.00 0.00 N ATOM 1507 CA ASP A 110 -12.267 10.352 -3.174 1.00 0.00 C ATOM 1508 C ASP A 110 -10.822 10.606 -3.582 1.00 0.00 C ATOM 1509 O ASP A 110 -10.283 11.661 -3.305 1.00 0.00 O ATOM 1510 CB ASP A 110 -13.159 10.433 -4.426 1.00 0.00 C ATOM 1511 CG ASP A 110 -13.481 11.900 -4.722 1.00 0.00 C ATOM 1512 OD1 ASP A 110 -12.680 12.500 -5.420 1.00 0.00 O ATOM 1513 OD2 ASP A 110 -14.511 12.338 -4.236 1.00 0.00 O ATOM 0 H ASP A 110 -12.878 12.313 -2.619 1.00 0.00 H new ATOM 0 HA ASP A 110 -12.340 9.369 -2.710 1.00 0.00 H new ATOM 0 HB2 ASP A 110 -12.652 9.981 -5.278 1.00 0.00 H new ATOM 0 HB3 ASP A 110 -14.080 9.871 -4.268 1.00 0.00 H new ATOM 1518 N VAL A 111 -10.207 9.635 -4.222 1.00 0.00 N ATOM 1519 CA VAL A 111 -8.790 9.834 -4.643 1.00 0.00 C ATOM 1520 C VAL A 111 -8.513 9.221 -6.017 1.00 0.00 C ATOM 1521 O VAL A 111 -9.305 8.467 -6.545 1.00 0.00 O ATOM 1522 CB VAL A 111 -7.875 9.151 -3.605 1.00 0.00 C ATOM 1523 CG1 VAL A 111 -6.416 9.594 -3.826 1.00 0.00 C ATOM 1524 CG2 VAL A 111 -8.319 9.559 -2.195 1.00 0.00 C ATOM 0 H VAL A 111 -10.619 8.734 -4.464 1.00 0.00 H new ATOM 0 HA VAL A 111 -8.597 10.905 -4.705 1.00 0.00 H new ATOM 0 HB VAL A 111 -7.945 8.069 -3.717 1.00 0.00 H new ATOM 0 HG11 VAL A 111 -5.773 9.109 -3.091 1.00 0.00 H new ATOM 0 HG12 VAL A 111 -6.098 9.311 -4.829 1.00 0.00 H new ATOM 0 HG13 VAL A 111 -6.343 10.676 -3.714 1.00 0.00 H new ATOM 0 HG21 VAL A 111 -7.676 9.079 -1.458 1.00 0.00 H new ATOM 0 HG22 VAL A 111 -8.247 10.641 -2.090 1.00 0.00 H new ATOM 0 HG23 VAL A 111 -9.351 9.247 -2.034 1.00 0.00 H new ATOM 1534 N LYS A 112 -7.382 9.574 -6.559 1.00 0.00 N ATOM 1535 CA LYS A 112 -6.981 9.053 -7.894 1.00 0.00 C ATOM 1536 C LYS A 112 -5.474 8.832 -7.895 1.00 0.00 C ATOM 1537 O LYS A 112 -4.759 9.550 -7.224 1.00 0.00 O ATOM 1538 CB LYS A 112 -7.320 10.109 -8.973 1.00 0.00 C ATOM 1539 CG LYS A 112 -8.668 10.772 -8.660 1.00 0.00 C ATOM 1540 CD LYS A 112 -8.982 11.795 -9.762 1.00 0.00 C ATOM 1541 CE LYS A 112 -10.364 11.502 -10.355 1.00 0.00 C ATOM 1542 NZ LYS A 112 -11.392 11.434 -9.278 1.00 0.00 N ATOM 0 H LYS A 112 -6.710 10.209 -6.128 1.00 0.00 H new ATOM 0 HA LYS A 112 -7.507 8.121 -8.103 1.00 0.00 H new ATOM 0 HB2 LYS A 112 -6.535 10.864 -9.012 1.00 0.00 H new ATOM 0 HB3 LYS A 112 -7.358 9.637 -9.955 1.00 0.00 H new ATOM 0 HG2 LYS A 112 -9.455 10.020 -8.607 1.00 0.00 H new ATOM 0 HG3 LYS A 112 -8.631 11.264 -7.688 1.00 0.00 H new ATOM 0 HD2 LYS A 112 -8.957 12.805 -9.353 1.00 0.00 H new ATOM 0 HD3 LYS A 112 -8.223 11.749 -10.543 1.00 0.00 H new ATOM 0 HE2 LYS A 112 -10.631 12.279 -11.071 1.00 0.00 H new ATOM 0 HE3 LYS A 112 -10.339 10.559 -10.902 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 -12.286 11.835 -9.626 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 -11.541 10.442 -9.003 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 -11.067 11.977 -8.453 1.00 0.00 H new ATOM 1556 N LEU A 113 -5.006 7.846 -8.635 1.00 0.00 N ATOM 1557 CA LEU A 113 -3.531 7.599 -8.659 1.00 0.00 C ATOM 1558 C LEU A 113 -2.994 7.463 -10.094 1.00 0.00 C ATOM 1559 O LEU A 113 -2.501 6.444 -10.497 1.00 0.00 O ATOM 1560 CB LEU A 113 -3.228 6.337 -7.771 1.00 0.00 C ATOM 1561 CG LEU A 113 -3.503 4.979 -8.486 1.00 0.00 C ATOM 1562 CD1 LEU A 113 -3.622 3.884 -7.412 1.00 0.00 C ATOM 1563 CD2 LEU A 113 -4.804 5.025 -9.293 1.00 0.00 C ATOM 0 H LEU A 113 -5.570 7.218 -9.208 1.00 0.00 H new ATOM 0 HA LEU A 113 -3.005 8.458 -8.242 1.00 0.00 H new ATOM 0 HB2 LEU A 113 -2.184 6.367 -7.459 1.00 0.00 H new ATOM 0 HB3 LEU A 113 -3.833 6.389 -6.866 1.00 0.00 H new ATOM 0 HG LEU A 113 -2.683 4.772 -9.174 1.00 0.00 H new ATOM 0 HD11 LEU A 113 -3.815 2.924 -7.891 1.00 0.00 H new ATOM 0 HD12 LEU A 113 -2.692 3.827 -6.846 1.00 0.00 H new ATOM 0 HD13 LEU A 113 -4.443 4.124 -6.737 1.00 0.00 H new ATOM 0 HD21 LEU A 113 -4.965 4.062 -9.778 1.00 0.00 H new ATOM 0 HD22 LEU A 113 -5.639 5.239 -8.626 1.00 0.00 H new ATOM 0 HD23 LEU A 113 -4.735 5.806 -10.050 1.00 0.00 H new ATOM 1575 N LEU A 114 -3.111 8.533 -10.836 1.00 0.00 N ATOM 1576 CA LEU A 114 -2.629 8.520 -12.234 1.00 0.00 C ATOM 1577 C LEU A 114 -1.224 9.117 -12.344 1.00 0.00 C ATOM 1578 O LEU A 114 -0.880 9.722 -13.341 1.00 0.00 O ATOM 1579 CB LEU A 114 -3.599 9.369 -13.066 1.00 0.00 C ATOM 1580 CG LEU A 114 -4.858 8.555 -13.348 1.00 0.00 C ATOM 1581 CD1 LEU A 114 -6.091 9.447 -13.192 1.00 0.00 C ATOM 1582 CD2 LEU A 114 -4.793 8.039 -14.773 1.00 0.00 C ATOM 0 H LEU A 114 -3.522 9.414 -10.527 1.00 0.00 H new ATOM 0 HA LEU A 114 -2.586 7.491 -12.592 1.00 0.00 H new ATOM 0 HB2 LEU A 114 -3.854 10.283 -12.530 1.00 0.00 H new ATOM 0 HB3 LEU A 114 -3.128 9.670 -14.002 1.00 0.00 H new ATOM 0 HG LEU A 114 -4.925 7.722 -12.648 1.00 0.00 H new ATOM 0 HD11 LEU A 114 -6.990 8.864 -13.394 1.00 0.00 H new ATOM 0 HD12 LEU A 114 -6.132 9.837 -12.175 1.00 0.00 H new ATOM 0 HD13 LEU A 114 -6.031 10.277 -13.896 1.00 0.00 H new ATOM 0 HD21 LEU A 114 -5.687 7.455 -14.989 1.00 0.00 H new ATOM 0 HD22 LEU A 114 -4.734 8.881 -15.463 1.00 0.00 H new ATOM 0 HD23 LEU A 114 -3.911 7.410 -14.892 1.00 0.00 H new ATOM 1594 N TYR A 115 -0.441 8.934 -11.315 1.00 0.00 N ATOM 1595 CA TYR A 115 0.941 9.476 -11.335 1.00 0.00 C ATOM 1596 C TYR A 115 1.897 8.517 -10.624 1.00 0.00 C ATOM 1597 O TYR A 115 2.372 8.788 -9.539 1.00 0.00 O ATOM 1598 CB TYR A 115 0.930 10.822 -10.599 1.00 0.00 C ATOM 1599 CG TYR A 115 -0.365 11.543 -10.939 1.00 0.00 C ATOM 1600 CD1 TYR A 115 -0.440 12.366 -12.041 1.00 0.00 C ATOM 1601 CD2 TYR A 115 -1.490 11.351 -10.168 1.00 0.00 C ATOM 1602 CE1 TYR A 115 -1.625 12.986 -12.370 1.00 0.00 C ATOM 1603 CE2 TYR A 115 -2.676 11.969 -10.495 1.00 0.00 C ATOM 1604 CZ TYR A 115 -2.754 12.794 -11.599 1.00 0.00 C ATOM 1605 OH TYR A 115 -3.942 13.412 -11.929 1.00 0.00 O ATOM 0 H TYR A 115 -0.701 8.433 -10.465 1.00 0.00 H new ATOM 0 HA TYR A 115 1.277 9.599 -12.364 1.00 0.00 H new ATOM 0 HB2 TYR A 115 1.007 10.667 -9.523 1.00 0.00 H new ATOM 0 HB3 TYR A 115 1.789 11.424 -10.896 1.00 0.00 H new ATOM 0 HD1 TYR A 115 0.437 12.526 -12.651 1.00 0.00 H new ATOM 0 HD2 TYR A 115 -1.441 10.710 -9.300 1.00 0.00 H new ATOM 0 HE1 TYR A 115 -1.671 13.627 -13.238 1.00 0.00 H new ATOM 0 HE2 TYR A 115 -3.551 11.807 -9.884 1.00 0.00 H new ATOM 0 HH TYR A 115 -4.632 13.164 -11.278 1.00 0.00 H new ATOM 1615 N PRO A 116 2.159 7.393 -11.267 1.00 0.00 N ATOM 1616 CA PRO A 116 3.049 6.382 -10.716 1.00 0.00 C ATOM 1617 C PRO A 116 4.501 6.740 -10.972 1.00 0.00 C ATOM 1618 O PRO A 116 4.820 7.310 -11.998 1.00 0.00 O ATOM 1619 CB PRO A 116 2.715 5.115 -11.511 1.00 0.00 C ATOM 1620 CG PRO A 116 1.921 5.570 -12.779 1.00 0.00 C ATOM 1621 CD PRO A 116 1.584 7.054 -12.583 1.00 0.00 C ATOM 0 HA PRO A 116 2.920 6.277 -9.639 1.00 0.00 H new ATOM 0 HB2 PRO A 116 3.625 4.586 -11.794 1.00 0.00 H new ATOM 0 HB3 PRO A 116 2.121 4.427 -10.909 1.00 0.00 H new ATOM 0 HG2 PRO A 116 2.516 5.425 -13.680 1.00 0.00 H new ATOM 0 HG3 PRO A 116 1.012 4.980 -12.898 1.00 0.00 H new ATOM 0 HD2 PRO A 116 2.016 7.667 -13.374 1.00 0.00 H new ATOM 0 HD3 PRO A 116 0.507 7.222 -12.601 1.00 0.00 H new ATOM 1629 N VAL A 117 5.361 6.401 -10.051 1.00 0.00 N ATOM 1630 CA VAL A 117 6.789 6.725 -10.257 1.00 0.00 C ATOM 1631 C VAL A 117 7.489 5.544 -10.887 1.00 0.00 C ATOM 1632 O VAL A 117 7.362 4.426 -10.432 1.00 0.00 O ATOM 1633 CB VAL A 117 7.439 7.055 -8.909 1.00 0.00 C ATOM 1634 CG1 VAL A 117 7.228 8.538 -8.626 1.00 0.00 C ATOM 1635 CG2 VAL A 117 6.797 6.235 -7.798 1.00 0.00 C ATOM 0 H VAL A 117 5.136 5.921 -9.179 1.00 0.00 H new ATOM 0 HA VAL A 117 6.875 7.588 -10.918 1.00 0.00 H new ATOM 0 HB VAL A 117 8.502 6.818 -8.947 1.00 0.00 H new ATOM 0 HG11 VAL A 117 7.684 8.794 -7.670 1.00 0.00 H new ATOM 0 HG12 VAL A 117 7.689 9.129 -9.418 1.00 0.00 H new ATOM 0 HG13 VAL A 117 6.160 8.753 -8.588 1.00 0.00 H new ATOM 0 HG21 VAL A 117 7.269 6.480 -6.846 1.00 0.00 H new ATOM 0 HG22 VAL A 117 5.733 6.464 -7.745 1.00 0.00 H new ATOM 0 HG23 VAL A 117 6.930 5.173 -8.006 1.00 0.00 H new ATOM 1645 N SER A 118 8.213 5.804 -11.928 1.00 0.00 N ATOM 1646 CA SER A 118 8.923 4.705 -12.603 1.00 0.00 C ATOM 1647 C SER A 118 10.242 4.386 -11.948 1.00 0.00 C ATOM 1648 O SER A 118 10.335 4.299 -10.746 1.00 0.00 O ATOM 1649 CB SER A 118 9.174 5.117 -14.050 1.00 0.00 C ATOM 1650 OG SER A 118 9.475 3.898 -14.710 1.00 0.00 O ATOM 0 H SER A 118 8.342 6.729 -12.338 1.00 0.00 H new ATOM 0 HA SER A 118 8.303 3.810 -12.541 1.00 0.00 H new ATOM 0 HB2 SER A 118 8.299 5.600 -14.484 1.00 0.00 H new ATOM 0 HB3 SER A 118 9.999 5.825 -14.125 1.00 0.00 H new ATOM 0 HG SER A 118 8.780 3.237 -14.509 1.00 0.00 H new ATOM 1656 N LYS A 119 11.234 4.204 -12.765 1.00 0.00 N ATOM 1657 CA LYS A 119 12.589 3.880 -12.241 1.00 0.00 C ATOM 1658 C LYS A 119 12.557 2.540 -11.524 1.00 0.00 C ATOM 1659 O LYS A 119 12.987 2.425 -10.394 1.00 0.00 O ATOM 1660 CB LYS A 119 13.049 4.974 -11.239 1.00 0.00 C ATOM 1661 CG LYS A 119 12.810 6.377 -11.831 1.00 0.00 C ATOM 1662 CD LYS A 119 13.826 6.639 -12.947 1.00 0.00 C ATOM 1663 CE LYS A 119 13.716 8.095 -13.392 1.00 0.00 C ATOM 1664 NZ LYS A 119 12.302 8.437 -13.719 1.00 0.00 N ATOM 0 H LYS A 119 11.167 4.266 -13.781 1.00 0.00 H new ATOM 0 HA LYS A 119 13.285 3.836 -13.079 1.00 0.00 H new ATOM 0 HB2 LYS A 119 12.504 4.870 -10.301 1.00 0.00 H new ATOM 0 HB3 LYS A 119 14.107 4.844 -11.009 1.00 0.00 H new ATOM 0 HG2 LYS A 119 11.796 6.450 -12.223 1.00 0.00 H new ATOM 0 HG3 LYS A 119 12.906 7.133 -11.052 1.00 0.00 H new ATOM 0 HD2 LYS A 119 14.835 6.429 -12.593 1.00 0.00 H new ATOM 0 HD3 LYS A 119 13.639 5.973 -13.790 1.00 0.00 H new ATOM 0 HE2 LYS A 119 14.081 8.751 -12.602 1.00 0.00 H new ATOM 0 HE3 LYS A 119 14.348 8.263 -14.264 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 12.275 9.329 -14.253 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 11.885 7.677 -14.294 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 11.758 8.544 -12.839 1.00 0.00 H new ATOM 1678 N TYR A 120 12.040 1.544 -12.198 1.00 0.00 N ATOM 1679 CA TYR A 120 11.968 0.204 -11.578 1.00 0.00 C ATOM 1680 C TYR A 120 13.356 -0.299 -11.196 1.00 0.00 C ATOM 1681 O TYR A 120 13.395 -1.277 -10.467 1.00 0.00 O ATOM 1682 CB TYR A 120 11.351 -0.767 -12.587 1.00 0.00 C ATOM 1683 CG TYR A 120 10.673 0.022 -13.703 1.00 0.00 C ATOM 1684 CD1 TYR A 120 9.399 0.526 -13.534 1.00 0.00 C ATOM 1685 CD2 TYR A 120 11.328 0.250 -14.892 1.00 0.00 C ATOM 1686 CE1 TYR A 120 8.794 1.247 -14.539 1.00 0.00 C ATOM 1687 CE2 TYR A 120 10.724 0.972 -15.898 1.00 0.00 C ATOM 1688 CZ TYR A 120 9.451 1.476 -15.730 1.00 0.00 C ATOM 1689 OH TYR A 120 8.844 2.198 -16.736 1.00 0.00 O ATOM 1690 OXT TYR A 120 14.301 0.322 -11.652 1.00 0.00 O ATOM 0 H TYR A 120 11.669 1.608 -13.146 1.00 0.00 H new ATOM 0 HA TYR A 120 11.362 0.267 -10.674 1.00 0.00 H new ATOM 0 HB2 TYR A 120 12.122 -1.415 -13.002 1.00 0.00 H new ATOM 0 HB3 TYR A 120 10.626 -1.412 -12.091 1.00 0.00 H new ATOM 0 HD1 TYR A 120 8.873 0.354 -12.607 1.00 0.00 H new ATOM 0 HD2 TYR A 120 12.324 -0.141 -15.038 1.00 0.00 H new ATOM 0 HE1 TYR A 120 7.797 1.636 -14.394 1.00 0.00 H new ATOM 0 HE2 TYR A 120 11.251 1.145 -16.825 1.00 0.00 H new ATOM 0 HH TYR A 120 8.803 3.143 -16.481 1.00 0.00 H new TER 1700 TYR A 120