USER MOD reduce.3.24.130724 H: found=0, std=0, add=633, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 633 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 96 GLN : amide:sc= -1.61 K(o=-6.5,f=-12!) USER MOD Set 1.2: A 97 ASN : amide:sc= -4.82! C(o=-6.5!,f=-7!) USER MOD Set 1.3: A 98 ASN : amide:sc= -0.0633 K(o=-6.5,f=-8.8!) USER MOD Set 2.1: A 49 GLN : amide:sc= -4.23 K(o=-5.3,f=-4.2!) USER MOD Set 2.2: A 90 SER OG : rot 180:sc= -1.1 USER MOD Set 3.1: A 51 ASN : amide:sc= -0.155 K(o=-1.8,f=-3.6!) USER MOD Set 3.2: A 64 ASN : amide:sc= -1.41 X(o=-1.8,f=-1.7) USER MOD Set 3.3: A 88 LYS NZ :NH3+ 128:sc= -0.236 (180deg=-0.998) USER MOD Set 4.1: A 30 GLN : amide:sc= -0.603 K(o=-0.17,f=0.93) USER MOD Set 4.2: A 43 TYR OH : rot 0:sc= 0.429 USER MOD Set 5.1: A 35 ASN : amide:sc= -5.34! C(o=-6.5!,f=-7.8!) USER MOD Set 5.2: A 37 GLN : amide:sc= -1.14 K(o=-6.5,f=-4.5!) USER MOD Set 6.1: A 15 ASN : amide:sc= -6.81! C(o=-16!,f=-12!) USER MOD Set 6.2: A 16 ASN : amide:sc= -2.74 K(o=-16,f=-12!) USER MOD Set 6.3: A 20 THR OG1 : rot 170:sc= -2.58 USER MOD Set 6.4: A 34 GLN : amide:sc= -4.29 K(o=-16,f=-15!) USER MOD Set 7.1: A 18 SER OG : rot -51:sc= 1.02 USER MOD Set 7.2: A 53 SER OG : rot -168:sc= 1.37 USER MOD Single : A 1 ALA N :NH3+ -114:sc= 1.15 (180deg=-1.1) USER MOD Single : A 2 MET CE :methyl -149:sc= -0.278 (180deg=-1.33!) USER MOD Single : A 7 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 9 GLN : amide:sc= -0.045 X(o=-0.045,f=0) USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 ASN : amide:sc= 0.0181 K(o=0.018,f=-3.6!) USER MOD Single : A 19 SER OG : rot -53:sc= 0.213 USER MOD Single : A 21 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.044) USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 THR OG1 : rot -28:sc= -0.012! USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 45 TYR OH : rot 144:sc= -3.17! USER MOD Single : A 47 GLN : amide:sc= -0.479 X(o=-0.48,f=-0.4) USER MOD Single : A 48 ASN : amide:sc= -0.302 K(o=-0.3,f=-2.3!) USER MOD Single : A 55 THR OG1 : rot 90:sc= 0.31 USER MOD Single : A 57 ASN : amide:sc= -0.167 X(o=-0.17,f=-0.65) USER MOD Single : A 59 SER OG : rot -24:sc= 0.46 USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 GLN : amide:sc= -2.22! K(o=-2.2!,f=-1.2) USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 TYR OH : rot 107:sc= 0.883 USER MOD Single : A 71 THR OG1 : rot 180:sc=-0.00518 USER MOD Single : A 81 ASN : amide:sc= -1.2 K(o=-1.2,f=-2.6!) USER MOD Single : A 83 ASN : amide:sc= -2.85 K(o=-2.9,f=-6.5!) USER MOD Single : A 89 ASN : amide:sc= -2.39 K(o=-2.4,f=-4.9!) USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 GLN : amide:sc= -0.0612 K(o=-0.061,f=-1.6!) USER MOD Single : A 94 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 99 ASN : amide:sc= -1.59 K(o=-1.6,f=-0.84) USER MOD Single : A 100 GLN : amide:sc= -0.165 X(o=-0.17,f=-0.0053) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 5.613 5.026 -6.786 1.00 2.30 N ATOM 2 CA ALA A 1 5.415 5.738 -5.497 1.00 1.76 C ATOM 3 C ALA A 1 4.419 6.883 -5.653 1.00 1.63 C ATOM 4 O ALA A 1 4.704 8.024 -5.287 1.00 1.72 O ATOM 5 CB ALA A 1 6.746 6.258 -4.974 1.00 2.25 C ATOM 0 H1 ALA A 1 5.246 4.056 -6.707 1.00 2.30 H new ATOM 0 H2 ALA A 1 5.104 5.528 -7.542 1.00 2.30 H new ATOM 0 H3 ALA A 1 6.627 4.995 -7.013 1.00 2.30 H new ATOM 0 HA ALA A 1 5.006 5.031 -4.775 1.00 1.76 H new ATOM 0 HB1 ALA A 1 6.588 6.778 -4.029 1.00 2.25 H new ATOM 0 HB2 ALA A 1 7.428 5.422 -4.818 1.00 2.25 H new ATOM 0 HB3 ALA A 1 7.178 6.948 -5.699 1.00 2.25 H new ATOM 13 N MET A 2 3.248 6.571 -6.198 1.00 1.67 N ATOM 14 CA MET A 2 2.207 7.575 -6.401 1.00 1.80 C ATOM 15 C MET A 2 0.892 6.923 -6.821 1.00 1.88 C ATOM 16 O MET A 2 0.623 6.758 -8.010 1.00 2.09 O ATOM 17 CB MET A 2 2.647 8.588 -7.460 1.00 2.20 C ATOM 18 CG MET A 2 1.739 9.803 -7.554 1.00 2.95 C ATOM 19 SD MET A 2 2.641 11.317 -7.933 1.00 3.71 S ATOM 20 CE MET A 2 3.740 11.419 -6.522 1.00 4.13 C ATOM 0 H MET A 2 2.995 5.632 -6.507 1.00 1.67 H new ATOM 0 HA MET A 2 2.048 8.092 -5.455 1.00 1.80 H new ATOM 0 HB2 MET A 2 3.661 8.919 -7.235 1.00 2.20 H new ATOM 0 HB3 MET A 2 2.681 8.094 -8.431 1.00 2.20 H new ATOM 0 HG2 MET A 2 0.987 9.631 -8.324 1.00 2.95 H new ATOM 0 HG3 MET A 2 1.207 9.928 -6.611 1.00 2.95 H new ATOM 0 HE1 MET A 2 3.945 12.465 -6.295 1.00 4.13 H new ATOM 0 HE2 MET A 2 3.270 10.946 -5.660 1.00 4.13 H new ATOM 0 HE3 MET A 2 4.675 10.908 -6.751 1.00 4.13 H new ATOM 30 N ALA A 3 0.079 6.553 -5.837 1.00 1.83 N ATOM 31 CA ALA A 3 -1.205 5.917 -6.107 1.00 1.95 C ATOM 32 C ALA A 3 -2.160 6.079 -4.930 1.00 1.86 C ATOM 33 O ALA A 3 -2.990 5.209 -4.666 1.00 1.98 O ATOM 34 CB ALA A 3 -1.000 4.444 -6.418 1.00 2.05 C ATOM 0 H ALA A 3 0.286 6.682 -4.847 1.00 1.83 H new ATOM 0 HA ALA A 3 -1.652 6.408 -6.972 1.00 1.95 H new ATOM 0 HB1 ALA A 3 -1.964 3.977 -6.618 1.00 2.05 H new ATOM 0 HB2 ALA A 3 -0.359 4.343 -7.294 1.00 2.05 H new ATOM 0 HB3 ALA A 3 -0.530 3.954 -5.565 1.00 2.05 H new ATOM 40 N CYS A 4 -2.030 7.193 -4.221 1.00 1.71 N ATOM 41 CA CYS A 4 -2.875 7.466 -3.065 1.00 1.63 C ATOM 42 C CYS A 4 -4.320 7.714 -3.485 1.00 1.87 C ATOM 43 O CYS A 4 -4.581 8.273 -4.550 1.00 2.15 O ATOM 44 CB CYS A 4 -2.342 8.675 -2.295 1.00 1.43 C ATOM 45 SG CYS A 4 -2.192 10.188 -3.298 1.00 2.08 S ATOM 0 H CYS A 4 -1.347 7.923 -4.426 1.00 1.71 H new ATOM 0 HA CYS A 4 -2.853 6.589 -2.418 1.00 1.63 H new ATOM 0 HB2 CYS A 4 -3.003 8.875 -1.451 1.00 1.43 H new ATOM 0 HB3 CYS A 4 -1.364 8.427 -1.882 1.00 1.43 H new ATOM 50 N TRP A 5 -5.257 7.300 -2.637 1.00 1.86 N ATOM 51 CA TRP A 5 -6.677 7.484 -2.917 1.00 2.11 C ATOM 52 C TRP A 5 -7.112 8.918 -2.612 1.00 2.05 C ATOM 53 O TRP A 5 -8.197 9.342 -3.008 1.00 2.28 O ATOM 54 CB TRP A 5 -7.516 6.497 -2.098 1.00 2.25 C ATOM 55 CG TRP A 5 -7.142 6.457 -0.648 1.00 2.03 C ATOM 56 CD1 TRP A 5 -6.448 5.476 -0.008 1.00 1.95 C ATOM 57 CD2 TRP A 5 -7.447 7.440 0.341 1.00 1.93 C ATOM 58 NE1 TRP A 5 -6.287 5.795 1.319 1.00 1.80 N ATOM 59 CE2 TRP A 5 -6.898 6.998 1.558 1.00 1.78 C ATOM 60 CE3 TRP A 5 -8.128 8.652 0.310 1.00 2.00 C ATOM 61 CZ2 TRP A 5 -7.011 7.733 2.735 1.00 1.70 C ATOM 62 CZ3 TRP A 5 -8.244 9.383 1.476 1.00 1.94 C ATOM 63 CH2 TRP A 5 -7.687 8.922 2.675 1.00 1.79 C ATOM 0 H TRP A 5 -5.059 6.835 -1.751 1.00 1.86 H new ATOM 0 HA TRP A 5 -6.839 7.292 -3.978 1.00 2.11 H new ATOM 0 HB2 TRP A 5 -8.569 6.766 -2.187 1.00 2.25 H new ATOM 0 HB3 TRP A 5 -7.405 5.499 -2.522 1.00 2.25 H new ATOM 0 HD1 TRP A 5 -6.077 4.576 -0.476 1.00 1.95 H new ATOM 0 HE1 TRP A 5 -5.795 5.230 2.011 1.00 1.80 H new ATOM 0 HE3 TRP A 5 -8.559 9.016 -0.611 1.00 2.00 H new ATOM 0 HZ2 TRP A 5 -6.582 7.379 3.660 1.00 1.70 H new ATOM 0 HZ3 TRP A 5 -8.773 10.325 1.463 1.00 1.94 H new ATOM 0 HH2 TRP A 5 -7.793 9.516 3.571 1.00 1.79 H new ATOM 74 N ALA A 6 -6.259 9.660 -1.907 1.00 1.78 N ATOM 75 CA ALA A 6 -6.560 11.043 -1.552 1.00 1.76 C ATOM 76 C ALA A 6 -6.422 11.966 -2.760 1.00 1.91 C ATOM 77 O ALA A 6 -7.142 12.958 -2.879 1.00 2.03 O ATOM 78 CB ALA A 6 -5.648 11.509 -0.427 1.00 1.48 C ATOM 0 H ALA A 6 -5.356 9.326 -1.572 1.00 1.78 H new ATOM 0 HA ALA A 6 -7.595 11.086 -1.211 1.00 1.76 H new ATOM 0 HB1 ALA A 6 -5.883 12.542 -0.172 1.00 1.48 H new ATOM 0 HB2 ALA A 6 -5.797 10.876 0.448 1.00 1.48 H new ATOM 0 HB3 ALA A 6 -4.609 11.443 -0.750 1.00 1.48 H new ATOM 84 N GLN A 7 -5.493 11.636 -3.652 1.00 1.94 N ATOM 85 CA GLN A 7 -5.266 12.441 -4.848 1.00 2.15 C ATOM 86 C GLN A 7 -6.493 12.427 -5.752 1.00 2.44 C ATOM 87 O GLN A 7 -6.755 13.389 -6.474 1.00 2.63 O ATOM 88 CB GLN A 7 -4.044 11.933 -5.615 1.00 2.18 C ATOM 89 CG GLN A 7 -4.174 10.494 -6.087 1.00 2.20 C ATOM 90 CD GLN A 7 -4.148 10.370 -7.598 1.00 2.55 C ATOM 91 OE1 GLN A 7 -5.192 10.299 -8.245 1.00 3.13 O ATOM 92 NE2 GLN A 7 -2.949 10.344 -8.168 1.00 2.54 N ATOM 0 H GLN A 7 -4.887 10.820 -3.570 1.00 1.94 H new ATOM 0 HA GLN A 7 -5.080 13.467 -4.532 1.00 2.15 H new ATOM 0 HB2 GLN A 7 -3.875 12.576 -6.479 1.00 2.18 H new ATOM 0 HB3 GLN A 7 -3.164 12.019 -4.977 1.00 2.18 H new ATOM 0 HG2 GLN A 7 -3.362 9.902 -5.664 1.00 2.20 H new ATOM 0 HG3 GLN A 7 -5.106 10.074 -5.708 1.00 2.20 H new ATOM 0 HE21 GLN A 7 -2.109 10.406 -7.592 1.00 2.54 H new ATOM 0 HE22 GLN A 7 -2.868 10.262 -9.181 1.00 2.54 H new ATOM 101 N SER A 8 -7.247 11.332 -5.705 1.00 2.50 N ATOM 102 CA SER A 8 -8.451 11.199 -6.517 1.00 2.80 C ATOM 103 C SER A 8 -9.404 12.365 -6.267 1.00 2.90 C ATOM 104 O SER A 8 -10.216 12.712 -7.124 1.00 3.15 O ATOM 105 CB SER A 8 -9.155 9.876 -6.211 1.00 2.87 C ATOM 106 OG SER A 8 -9.704 9.306 -7.386 1.00 3.09 O ATOM 0 H SER A 8 -7.045 10.526 -5.114 1.00 2.50 H new ATOM 0 HA SER A 8 -8.156 11.210 -7.566 1.00 2.80 H new ATOM 0 HB2 SER A 8 -8.447 9.179 -5.762 1.00 2.87 H new ATOM 0 HB3 SER A 8 -9.946 10.042 -5.480 1.00 2.87 H new ATOM 0 HG SER A 8 -10.147 8.461 -7.163 1.00 3.09 H new ATOM 112 N GLN A 9 -9.294 12.968 -5.086 1.00 2.71 N ATOM 113 CA GLN A 9 -10.141 14.097 -4.721 1.00 2.82 C ATOM 114 C GLN A 9 -9.419 15.419 -4.968 1.00 2.81 C ATOM 115 O GLN A 9 -10.051 16.438 -5.246 1.00 3.00 O ATOM 116 CB GLN A 9 -10.556 13.996 -3.252 1.00 2.71 C ATOM 117 CG GLN A 9 -11.011 12.605 -2.842 1.00 2.75 C ATOM 118 CD GLN A 9 -11.868 12.618 -1.592 1.00 2.99 C ATOM 119 OE1 GLN A 9 -13.043 12.983 -1.634 1.00 3.69 O ATOM 120 NE2 GLN A 9 -11.283 12.218 -0.469 1.00 2.75 N ATOM 0 H GLN A 9 -8.626 12.693 -4.366 1.00 2.71 H new ATOM 0 HA GLN A 9 -11.034 14.068 -5.346 1.00 2.82 H new ATOM 0 HB2 GLN A 9 -9.716 14.294 -2.625 1.00 2.71 H new ATOM 0 HB3 GLN A 9 -11.363 14.704 -3.062 1.00 2.71 H new ATOM 0 HG2 GLN A 9 -11.574 12.155 -3.660 1.00 2.75 H new ATOM 0 HG3 GLN A 9 -10.137 11.976 -2.673 1.00 2.75 H new ATOM 0 HE21 GLN A 9 -10.306 11.924 -0.480 1.00 2.75 H new ATOM 0 HE22 GLN A 9 -11.810 12.205 0.404 1.00 2.75 H new ATOM 129 N GLY A 10 -8.093 15.395 -4.866 1.00 2.61 N ATOM 130 CA GLY A 10 -7.314 16.600 -5.085 1.00 2.65 C ATOM 131 C GLY A 10 -6.099 16.689 -4.179 1.00 2.41 C ATOM 132 O GLY A 10 -5.131 17.380 -4.497 1.00 2.48 O ATOM 0 H GLY A 10 -7.546 14.565 -4.636 1.00 2.61 H new ATOM 0 HA2 GLY A 10 -6.989 16.633 -6.125 1.00 2.65 H new ATOM 0 HA3 GLY A 10 -7.948 17.471 -4.921 1.00 2.65 H new ATOM 136 N TYR A 11 -6.148 15.993 -3.047 1.00 2.18 N ATOM 137 CA TYR A 11 -5.041 16.002 -2.097 1.00 1.95 C ATOM 138 C TYR A 11 -3.793 15.373 -2.711 1.00 1.87 C ATOM 139 O TYR A 11 -3.760 15.074 -3.904 1.00 2.07 O ATOM 140 CB TYR A 11 -5.433 15.253 -0.821 1.00 1.75 C ATOM 141 CG TYR A 11 -6.064 16.136 0.234 1.00 1.78 C ATOM 142 CD1 TYR A 11 -7.445 16.253 0.329 1.00 2.32 C ATOM 143 CD2 TYR A 11 -5.282 16.849 1.135 1.00 1.96 C ATOM 144 CE1 TYR A 11 -8.029 17.055 1.291 1.00 2.36 C ATOM 145 CE2 TYR A 11 -5.859 17.653 2.100 1.00 2.06 C ATOM 146 CZ TYR A 11 -7.232 17.752 2.174 1.00 1.93 C ATOM 147 OH TYR A 11 -7.810 18.551 3.134 1.00 2.04 O ATOM 0 H TYR A 11 -6.941 15.417 -2.766 1.00 2.18 H new ATOM 0 HA TYR A 11 -4.816 17.038 -1.846 1.00 1.95 H new ATOM 0 HB2 TYR A 11 -6.130 14.455 -1.078 1.00 1.75 H new ATOM 0 HB3 TYR A 11 -4.546 14.779 -0.402 1.00 1.75 H new ATOM 0 HD1 TYR A 11 -8.073 15.708 -0.361 1.00 2.32 H new ATOM 0 HD2 TYR A 11 -4.206 16.774 1.080 1.00 1.96 H new ATOM 0 HE1 TYR A 11 -9.104 17.135 1.351 1.00 2.36 H new ATOM 0 HE2 TYR A 11 -5.237 18.201 2.793 1.00 2.06 H new ATOM 0 HH TYR A 11 -7.109 18.971 3.675 1.00 2.04 H new ATOM 157 N ASN A 12 -2.766 15.177 -1.890 1.00 1.70 N ATOM 158 CA ASN A 12 -1.517 14.584 -2.354 1.00 1.65 C ATOM 159 C ASN A 12 -1.175 13.341 -1.539 1.00 1.37 C ATOM 160 O ASN A 12 -1.711 13.135 -0.451 1.00 1.27 O ATOM 161 CB ASN A 12 -0.380 15.604 -2.257 1.00 1.76 C ATOM 162 CG ASN A 12 0.937 15.058 -2.772 1.00 2.25 C ATOM 163 OD1 ASN A 12 0.970 14.277 -3.723 1.00 2.87 O ATOM 164 ND2 ASN A 12 2.033 15.467 -2.143 1.00 2.68 N ATOM 0 H ASN A 12 -2.774 15.420 -0.900 1.00 1.70 H new ATOM 0 HA ASN A 12 -1.643 14.290 -3.396 1.00 1.65 H new ATOM 0 HB2 ASN A 12 -0.647 16.495 -2.825 1.00 1.76 H new ATOM 0 HB3 ASN A 12 -0.260 15.912 -1.218 1.00 1.76 H new ATOM 0 HD21 ASN A 12 2.948 15.133 -2.444 1.00 2.68 H new ATOM 0 HD22 ASN A 12 1.959 16.115 -1.359 1.00 2.68 H new ATOM 171 N CYS A 13 -0.283 12.511 -2.073 1.00 1.36 N ATOM 172 CA CYS A 13 0.126 11.290 -1.392 1.00 1.18 C ATOM 173 C CYS A 13 1.163 11.584 -0.315 1.00 1.05 C ATOM 174 O CYS A 13 2.005 12.468 -0.474 1.00 1.23 O ATOM 175 CB CYS A 13 0.697 10.292 -2.397 1.00 1.37 C ATOM 176 SG CYS A 13 -0.266 10.158 -3.936 1.00 2.17 S ATOM 0 H CYS A 13 0.169 12.663 -2.975 1.00 1.36 H new ATOM 0 HA CYS A 13 -0.755 10.860 -0.915 1.00 1.18 H new ATOM 0 HB2 CYS A 13 1.718 10.584 -2.644 1.00 1.37 H new ATOM 0 HB3 CYS A 13 0.751 9.310 -1.928 1.00 1.37 H new ATOM 181 N CYS A 14 1.098 10.834 0.779 1.00 0.87 N ATOM 182 CA CYS A 14 2.033 11.009 1.882 1.00 0.90 C ATOM 183 C CYS A 14 3.130 9.956 1.826 1.00 1.02 C ATOM 184 O CYS A 14 2.893 8.785 2.124 1.00 1.11 O ATOM 185 CB CYS A 14 1.308 10.907 3.221 1.00 0.83 C ATOM 186 SG CYS A 14 1.379 12.412 4.250 1.00 1.42 S ATOM 0 H CYS A 14 0.407 10.098 0.925 1.00 0.87 H new ATOM 0 HA CYS A 14 2.479 11.999 1.788 1.00 0.90 H new ATOM 0 HB2 CYS A 14 0.263 10.662 3.034 1.00 0.83 H new ATOM 0 HB3 CYS A 14 1.734 10.078 3.786 1.00 0.83 H new ATOM 191 N ASN A 15 4.328 10.376 1.454 1.00 1.18 N ATOM 192 CA ASN A 15 5.460 9.468 1.372 1.00 1.37 C ATOM 193 C ASN A 15 5.597 8.662 2.664 1.00 1.39 C ATOM 194 O ASN A 15 5.197 9.120 3.733 1.00 1.46 O ATOM 195 CB ASN A 15 6.729 10.270 1.064 1.00 1.63 C ATOM 196 CG ASN A 15 7.495 10.719 2.298 1.00 2.06 C ATOM 197 OD1 ASN A 15 8.725 10.750 2.298 1.00 2.75 O ATOM 198 ND2 ASN A 15 6.773 11.079 3.352 1.00 2.21 N ATOM 0 H ASN A 15 4.542 11.341 1.204 1.00 1.18 H new ATOM 0 HA ASN A 15 5.300 8.753 0.565 1.00 1.37 H new ATOM 0 HB2 ASN A 15 7.387 9.663 0.442 1.00 1.63 H new ATOM 0 HB3 ASN A 15 6.457 11.148 0.479 1.00 1.63 H new ATOM 0 HD21 ASN A 15 7.237 11.396 4.203 1.00 2.21 H new ATOM 0 HD22 ASN A 15 5.755 11.038 3.311 1.00 2.21 H new ATOM 205 N ASN A 16 6.141 7.455 2.561 1.00 1.47 N ATOM 206 CA ASN A 16 6.301 6.593 3.729 1.00 1.58 C ATOM 207 C ASN A 16 4.987 6.494 4.507 1.00 1.40 C ATOM 208 O ASN A 16 4.952 6.726 5.716 1.00 1.49 O ATOM 209 CB ASN A 16 7.408 7.125 4.640 1.00 1.84 C ATOM 210 CG ASN A 16 8.686 7.425 3.885 1.00 2.41 C ATOM 211 OD1 ASN A 16 9.372 6.518 3.414 1.00 3.19 O ATOM 212 ND2 ASN A 16 9.012 8.706 3.766 1.00 2.47 N ATOM 0 H ASN A 16 6.477 7.052 1.687 1.00 1.47 H new ATOM 0 HA ASN A 16 6.579 5.598 3.382 1.00 1.58 H new ATOM 0 HB2 ASN A 16 7.062 8.032 5.136 1.00 1.84 H new ATOM 0 HB3 ASN A 16 7.614 6.393 5.421 1.00 1.84 H new ATOM 0 HD21 ASN A 16 9.861 8.972 3.268 1.00 2.47 H new ATOM 0 HD22 ASN A 16 8.413 9.425 4.173 1.00 2.47 H new ATOM 219 N PRO A 17 3.885 6.152 3.817 1.00 1.23 N ATOM 220 CA PRO A 17 2.563 6.030 4.442 1.00 1.15 C ATOM 221 C PRO A 17 2.531 4.975 5.544 1.00 1.35 C ATOM 222 O PRO A 17 1.624 4.961 6.375 1.00 1.40 O ATOM 223 CB PRO A 17 1.643 5.623 3.284 1.00 1.09 C ATOM 224 CG PRO A 17 2.553 5.105 2.223 1.00 1.19 C ATOM 225 CD PRO A 17 3.839 5.862 2.375 1.00 1.22 C ATOM 0 HA PRO A 17 2.265 6.958 4.929 1.00 1.15 H new ATOM 0 HB2 PRO A 17 0.930 4.861 3.597 1.00 1.09 H new ATOM 0 HB3 PRO A 17 1.063 6.473 2.925 1.00 1.09 H new ATOM 0 HG2 PRO A 17 2.715 4.033 2.337 1.00 1.19 H new ATOM 0 HG3 PRO A 17 2.125 5.259 1.233 1.00 1.19 H new ATOM 0 HD2 PRO A 17 4.696 5.269 2.055 1.00 1.22 H new ATOM 0 HD3 PRO A 17 3.843 6.775 1.780 1.00 1.22 H new ATOM 233 N SER A 18 3.526 4.094 5.548 1.00 1.53 N ATOM 234 CA SER A 18 3.608 3.038 6.551 1.00 1.76 C ATOM 235 C SER A 18 4.179 3.562 7.870 1.00 1.87 C ATOM 236 O SER A 18 4.342 2.804 8.826 1.00 2.09 O ATOM 237 CB SER A 18 4.470 1.884 6.035 1.00 1.95 C ATOM 238 OG SER A 18 3.964 0.634 6.471 1.00 2.23 O ATOM 0 H SER A 18 4.287 4.090 4.868 1.00 1.53 H new ATOM 0 HA SER A 18 2.596 2.679 6.738 1.00 1.76 H new ATOM 0 HB2 SER A 18 4.500 1.908 4.946 1.00 1.95 H new ATOM 0 HB3 SER A 18 5.495 2.007 6.385 1.00 1.95 H new ATOM 0 HG SER A 18 3.819 0.660 7.440 1.00 2.23 H new ATOM 244 N SER A 19 4.481 4.858 7.919 1.00 1.78 N ATOM 245 CA SER A 19 5.030 5.468 9.124 1.00 1.95 C ATOM 246 C SER A 19 4.545 6.906 9.270 1.00 1.83 C ATOM 247 O SER A 19 5.233 7.748 9.847 1.00 2.03 O ATOM 248 CB SER A 19 6.559 5.435 9.086 1.00 2.17 C ATOM 249 OG SER A 19 7.106 5.671 10.372 1.00 2.48 O ATOM 0 H SER A 19 4.354 5.503 7.139 1.00 1.78 H new ATOM 0 HA SER A 19 4.683 4.895 9.984 1.00 1.95 H new ATOM 0 HB2 SER A 19 6.896 4.467 8.716 1.00 2.17 H new ATOM 0 HB3 SER A 19 6.925 6.188 8.388 1.00 2.17 H new ATOM 0 HG SER A 19 6.732 6.499 10.740 1.00 2.48 H new ATOM 255 N THR A 20 3.357 7.182 8.741 1.00 1.56 N ATOM 256 CA THR A 20 2.780 8.510 8.806 1.00 1.45 C ATOM 257 C THR A 20 1.801 8.616 9.974 1.00 1.54 C ATOM 258 O THR A 20 1.127 7.646 10.321 1.00 1.57 O ATOM 259 CB THR A 20 2.075 8.821 7.483 1.00 1.18 C ATOM 260 OG1 THR A 20 3.011 9.215 6.496 1.00 1.18 O ATOM 261 CG2 THR A 20 1.041 9.912 7.592 1.00 1.10 C ATOM 0 H THR A 20 2.776 6.495 8.261 1.00 1.56 H new ATOM 0 HA THR A 20 3.575 9.238 8.969 1.00 1.45 H new ATOM 0 HB THR A 20 1.571 7.895 7.206 1.00 1.18 H new ATOM 0 HG1 THR A 20 2.568 9.254 5.622 1.00 1.18 H new ATOM 0 HG21 THR A 20 0.583 10.078 6.617 1.00 1.10 H new ATOM 0 HG22 THR A 20 0.274 9.616 8.307 1.00 1.10 H new ATOM 0 HG23 THR A 20 1.517 10.832 7.931 1.00 1.10 H new ATOM 269 N LYS A 21 1.726 9.800 10.572 1.00 1.68 N ATOM 270 CA LYS A 21 0.825 10.030 11.695 1.00 1.82 C ATOM 271 C LYS A 21 -0.537 10.509 11.204 1.00 1.68 C ATOM 272 O LYS A 21 -0.664 11.612 10.674 1.00 1.61 O ATOM 273 CB LYS A 21 1.424 11.059 12.657 1.00 2.06 C ATOM 274 CG LYS A 21 0.522 11.387 13.837 1.00 2.25 C ATOM 275 CD LYS A 21 0.561 10.291 14.889 1.00 2.54 C ATOM 276 CE LYS A 21 -0.306 10.639 16.088 1.00 2.90 C ATOM 277 NZ LYS A 21 0.283 11.740 16.899 1.00 3.37 N ATOM 0 H LYS A 21 2.277 10.614 10.299 1.00 1.68 H new ATOM 0 HA LYS A 21 0.693 9.086 12.223 1.00 1.82 H new ATOM 0 HB2 LYS A 21 2.376 10.683 13.032 1.00 2.06 H new ATOM 0 HB3 LYS A 21 1.638 11.976 12.108 1.00 2.06 H new ATOM 0 HG2 LYS A 21 0.833 12.332 14.283 1.00 2.25 H new ATOM 0 HG3 LYS A 21 -0.502 11.521 13.488 1.00 2.25 H new ATOM 0 HD2 LYS A 21 0.219 9.353 14.452 1.00 2.54 H new ATOM 0 HD3 LYS A 21 1.589 10.135 15.215 1.00 2.54 H new ATOM 0 HE2 LYS A 21 -1.299 10.932 15.745 1.00 2.90 H new ATOM 0 HE3 LYS A 21 -0.432 9.755 16.713 1.00 2.90 H new ATOM 0 HZ1 LYS A 21 -0.274 11.867 17.768 1.00 3.37 H new ATOM 0 HZ2 LYS A 21 1.264 11.501 17.148 1.00 3.37 H new ATOM 0 HZ3 LYS A 21 0.271 12.622 16.348 1.00 3.37 H new ATOM 291 N VAL A 22 -1.554 9.675 11.390 1.00 1.70 N ATOM 292 CA VAL A 22 -2.896 10.009 10.978 1.00 1.66 C ATOM 293 C VAL A 22 -3.637 10.693 12.113 1.00 1.89 C ATOM 294 O VAL A 22 -4.211 10.037 12.983 1.00 2.08 O ATOM 295 CB VAL A 22 -3.668 8.746 10.546 1.00 1.68 C ATOM 296 CG1 VAL A 22 -5.090 9.090 10.134 1.00 1.79 C ATOM 297 CG2 VAL A 22 -2.938 8.037 9.417 1.00 1.53 C ATOM 0 H VAL A 22 -1.465 8.758 11.828 1.00 1.70 H new ATOM 0 HA VAL A 22 -2.830 10.687 10.127 1.00 1.66 H new ATOM 0 HB VAL A 22 -3.721 8.072 11.401 1.00 1.68 H new ATOM 0 HG11 VAL A 22 -5.612 8.181 9.834 1.00 1.79 H new ATOM 0 HG12 VAL A 22 -5.612 9.547 10.975 1.00 1.79 H new ATOM 0 HG13 VAL A 22 -5.068 9.788 9.297 1.00 1.79 H new ATOM 0 HG21 VAL A 22 -3.497 7.148 9.124 1.00 1.53 H new ATOM 0 HG22 VAL A 22 -2.850 8.708 8.562 1.00 1.53 H new ATOM 0 HG23 VAL A 22 -1.943 7.746 9.753 1.00 1.53 H new ATOM 307 N GLU A 23 -3.639 12.014 12.086 1.00 1.91 N ATOM 308 CA GLU A 23 -4.332 12.791 13.102 1.00 2.14 C ATOM 309 C GLU A 23 -5.775 13.019 12.679 1.00 2.17 C ATOM 310 O GLU A 23 -6.547 13.668 13.384 1.00 2.37 O ATOM 311 CB GLU A 23 -3.638 14.140 13.345 1.00 2.22 C ATOM 312 CG GLU A 23 -2.817 14.644 12.167 1.00 2.09 C ATOM 313 CD GLU A 23 -2.512 16.127 12.260 1.00 2.49 C ATOM 314 OE1 GLU A 23 -3.461 16.934 12.176 1.00 2.80 O ATOM 315 OE2 GLU A 23 -1.325 16.480 12.418 1.00 2.98 O ATOM 0 H GLU A 23 -3.169 12.572 11.373 1.00 1.91 H new ATOM 0 HA GLU A 23 -4.308 12.228 14.035 1.00 2.14 H new ATOM 0 HB2 GLU A 23 -4.395 14.885 13.591 1.00 2.22 H new ATOM 0 HB3 GLU A 23 -2.986 14.049 14.214 1.00 2.22 H new ATOM 0 HG2 GLU A 23 -1.881 14.087 12.116 1.00 2.09 H new ATOM 0 HG3 GLU A 23 -3.357 14.445 11.241 1.00 2.09 H new ATOM 322 N TYR A 24 -6.130 12.483 11.514 1.00 2.01 N ATOM 323 CA TYR A 24 -7.485 12.636 10.994 1.00 2.10 C ATOM 324 C TYR A 24 -8.016 11.336 10.404 1.00 2.08 C ATOM 325 O TYR A 24 -7.276 10.576 9.782 1.00 1.93 O ATOM 326 CB TYR A 24 -7.527 13.738 9.935 1.00 2.04 C ATOM 327 CG TYR A 24 -8.922 14.249 9.656 1.00 2.21 C ATOM 328 CD1 TYR A 24 -9.329 15.495 10.115 1.00 2.78 C ATOM 329 CD2 TYR A 24 -9.831 13.485 8.935 1.00 2.40 C ATOM 330 CE1 TYR A 24 -10.605 15.965 9.864 1.00 2.98 C ATOM 331 CE2 TYR A 24 -11.108 13.949 8.678 1.00 2.59 C ATOM 332 CZ TYR A 24 -11.489 15.189 9.145 1.00 2.64 C ATOM 333 OH TYR A 24 -12.759 15.654 8.893 1.00 2.90 O ATOM 0 H TYR A 24 -5.504 11.943 10.917 1.00 2.01 H new ATOM 0 HA TYR A 24 -8.125 12.911 11.832 1.00 2.10 H new ATOM 0 HB2 TYR A 24 -6.902 14.569 10.261 1.00 2.04 H new ATOM 0 HB3 TYR A 24 -7.095 13.359 9.009 1.00 2.04 H new ATOM 0 HD1 TYR A 24 -8.638 16.106 10.677 1.00 2.78 H new ATOM 0 HD2 TYR A 24 -9.535 12.513 8.569 1.00 2.40 H new ATOM 0 HE1 TYR A 24 -10.908 16.935 10.229 1.00 2.98 H new ATOM 0 HE2 TYR A 24 -11.803 13.344 8.115 1.00 2.59 H new ATOM 0 HH TYR A 24 -13.255 14.987 8.374 1.00 2.90 H new ATOM 343 N THR A 25 -9.309 11.097 10.585 1.00 2.27 N ATOM 344 CA THR A 25 -9.943 9.898 10.053 1.00 2.33 C ATOM 345 C THR A 25 -11.459 10.050 10.027 1.00 2.58 C ATOM 346 O THR A 25 -12.074 10.445 11.018 1.00 2.78 O ATOM 347 CB THR A 25 -9.558 8.670 10.875 1.00 2.40 C ATOM 348 OG1 THR A 25 -8.162 8.643 11.114 1.00 2.24 O ATOM 349 CG2 THR A 25 -9.936 7.369 10.200 1.00 2.48 C ATOM 0 H THR A 25 -9.938 11.717 11.095 1.00 2.27 H new ATOM 0 HA THR A 25 -9.588 9.761 9.031 1.00 2.33 H new ATOM 0 HB THR A 25 -10.112 8.755 11.810 1.00 2.40 H new ATOM 0 HG1 THR A 25 -7.696 9.098 10.382 1.00 2.24 H new ATOM 0 HG21 THR A 25 -9.638 6.532 10.831 1.00 2.48 H new ATOM 0 HG22 THR A 25 -11.014 7.340 10.044 1.00 2.48 H new ATOM 0 HG23 THR A 25 -9.428 7.297 9.238 1.00 2.48 H new ATOM 357 N ASP A 26 -12.053 9.731 8.884 1.00 2.61 N ATOM 358 CA ASP A 26 -13.496 9.827 8.715 1.00 2.88 C ATOM 359 C ASP A 26 -13.968 8.838 7.649 1.00 2.97 C ATOM 360 O ASP A 26 -13.366 7.779 7.471 1.00 2.91 O ATOM 361 CB ASP A 26 -13.883 11.260 8.336 1.00 2.93 C ATOM 362 CG ASP A 26 -15.197 11.688 8.960 1.00 3.18 C ATOM 363 OD1 ASP A 26 -15.845 12.604 8.411 1.00 3.62 O ATOM 364 OD2 ASP A 26 -15.578 11.106 9.998 1.00 3.53 O ATOM 0 H ASP A 26 -11.554 9.402 8.057 1.00 2.61 H new ATOM 0 HA ASP A 26 -13.984 9.574 9.656 1.00 2.88 H new ATOM 0 HB2 ASP A 26 -13.094 11.942 8.653 1.00 2.93 H new ATOM 0 HB3 ASP A 26 -13.956 11.339 7.251 1.00 2.93 H new ATOM 369 N ALA A 27 -15.039 9.182 6.936 1.00 3.17 N ATOM 370 CA ALA A 27 -15.563 8.310 5.892 1.00 3.31 C ATOM 371 C ALA A 27 -14.831 8.524 4.568 1.00 3.17 C ATOM 372 O ALA A 27 -15.219 7.971 3.539 1.00 3.30 O ATOM 373 CB ALA A 27 -17.057 8.533 5.716 1.00 3.60 C ATOM 0 H ALA A 27 -15.556 10.052 7.062 1.00 3.17 H new ATOM 0 HA ALA A 27 -15.395 7.279 6.202 1.00 3.31 H new ATOM 0 HB1 ALA A 27 -17.433 7.875 4.933 1.00 3.60 H new ATOM 0 HB2 ALA A 27 -17.570 8.314 6.652 1.00 3.60 H new ATOM 0 HB3 ALA A 27 -17.240 9.571 5.436 1.00 3.60 H new ATOM 379 N SER A 28 -13.764 9.318 4.603 1.00 2.93 N ATOM 380 CA SER A 28 -12.974 9.589 3.410 1.00 2.80 C ATOM 381 C SER A 28 -11.669 8.803 3.453 1.00 2.59 C ATOM 382 O SER A 28 -11.070 8.514 2.417 1.00 2.57 O ATOM 383 CB SER A 28 -12.684 11.086 3.293 1.00 2.70 C ATOM 384 OG SER A 28 -13.836 11.855 3.594 1.00 3.01 O ATOM 0 H SER A 28 -13.428 9.784 5.446 1.00 2.93 H new ATOM 0 HA SER A 28 -13.545 9.275 2.536 1.00 2.80 H new ATOM 0 HB2 SER A 28 -11.875 11.357 3.971 1.00 2.70 H new ATOM 0 HB3 SER A 28 -12.344 11.316 2.283 1.00 2.70 H new ATOM 0 HG SER A 28 -13.623 12.808 3.514 1.00 3.01 H new ATOM 390 N GLY A 29 -11.238 8.454 4.663 1.00 2.50 N ATOM 391 CA GLY A 29 -10.013 7.699 4.827 1.00 2.33 C ATOM 392 C GLY A 29 -9.100 8.294 5.882 1.00 2.12 C ATOM 393 O GLY A 29 -9.508 9.172 6.643 1.00 2.26 O ATOM 0 H GLY A 29 -11.719 8.683 5.533 1.00 2.50 H new ATOM 0 HA2 GLY A 29 -10.257 6.672 5.100 1.00 2.33 H new ATOM 0 HA3 GLY A 29 -9.484 7.659 3.875 1.00 2.33 H new ATOM 397 N GLN A 30 -7.862 7.812 5.928 1.00 1.84 N ATOM 398 CA GLN A 30 -6.886 8.296 6.897 1.00 1.66 C ATOM 399 C GLN A 30 -6.047 9.428 6.312 1.00 1.42 C ATOM 400 O GLN A 30 -5.549 9.329 5.191 1.00 1.31 O ATOM 401 CB GLN A 30 -5.975 7.150 7.341 1.00 1.60 C ATOM 402 CG GLN A 30 -6.730 5.938 7.859 1.00 1.87 C ATOM 403 CD GLN A 30 -5.911 4.664 7.782 1.00 2.15 C ATOM 404 OE1 GLN A 30 -6.423 3.604 7.423 1.00 2.96 O ATOM 405 NE2 GLN A 30 -4.631 4.762 8.121 1.00 2.09 N ATOM 0 H GLN A 30 -7.511 7.085 5.304 1.00 1.84 H new ATOM 0 HA GLN A 30 -7.428 8.682 7.760 1.00 1.66 H new ATOM 0 HB2 GLN A 30 -5.351 6.847 6.500 1.00 1.60 H new ATOM 0 HB3 GLN A 30 -5.305 7.511 8.121 1.00 1.60 H new ATOM 0 HG2 GLN A 30 -7.026 6.114 8.893 1.00 1.87 H new ATOM 0 HG3 GLN A 30 -7.646 5.812 7.283 1.00 1.87 H new ATOM 0 HE21 GLN A 30 -4.248 5.661 8.413 1.00 2.09 H new ATOM 0 HE22 GLN A 30 -4.031 3.938 8.090 1.00 2.09 H new ATOM 414 N TRP A 31 -5.890 10.502 7.081 1.00 1.44 N ATOM 415 CA TRP A 31 -5.106 11.651 6.640 1.00 1.30 C ATOM 416 C TRP A 31 -4.088 12.050 7.702 1.00 1.30 C ATOM 417 O TRP A 31 -4.295 11.816 8.893 1.00 1.51 O ATOM 418 CB TRP A 31 -6.018 12.839 6.327 1.00 1.48 C ATOM 419 CG TRP A 31 -7.276 12.458 5.609 1.00 1.60 C ATOM 420 CD1 TRP A 31 -8.345 11.786 6.127 1.00 1.77 C ATOM 421 CD2 TRP A 31 -7.595 12.728 4.240 1.00 1.65 C ATOM 422 NE1 TRP A 31 -9.311 11.622 5.164 1.00 1.90 N ATOM 423 CE2 TRP A 31 -8.873 12.193 3.996 1.00 1.84 C ATOM 424 CE3 TRP A 31 -6.923 13.372 3.197 1.00 1.63 C ATOM 425 CZ2 TRP A 31 -9.492 12.283 2.752 1.00 2.00 C ATOM 426 CZ3 TRP A 31 -7.538 13.460 1.963 1.00 1.81 C ATOM 427 CH2 TRP A 31 -8.811 12.918 1.750 1.00 1.98 C ATOM 0 H TRP A 31 -6.295 10.600 8.012 1.00 1.44 H new ATOM 0 HA TRP A 31 -4.574 11.365 5.733 1.00 1.30 H new ATOM 0 HB2 TRP A 31 -6.279 13.341 7.259 1.00 1.48 H new ATOM 0 HB3 TRP A 31 -5.468 13.559 5.721 1.00 1.48 H new ATOM 0 HD1 TRP A 31 -8.421 11.434 7.145 1.00 1.77 H new ATOM 0 HE1 TRP A 31 -10.207 11.153 5.296 1.00 1.90 H new ATOM 0 HE3 TRP A 31 -5.941 13.793 3.353 1.00 1.63 H new ATOM 0 HZ2 TRP A 31 -10.474 11.867 2.584 1.00 2.00 H new ATOM 0 HZ3 TRP A 31 -7.028 13.955 1.150 1.00 1.81 H new ATOM 0 HH2 TRP A 31 -9.265 13.003 0.774 1.00 1.98 H new ATOM 438 N GLY A 32 -2.991 12.656 7.264 1.00 1.17 N ATOM 439 CA GLY A 32 -1.958 13.080 8.190 1.00 1.28 C ATOM 440 C GLY A 32 -0.979 14.049 7.558 1.00 1.30 C ATOM 441 O GLY A 32 -0.825 14.077 6.336 1.00 1.30 O ATOM 0 H GLY A 32 -2.798 12.861 6.284 1.00 1.17 H new ATOM 0 HA2 GLY A 32 -2.422 13.550 9.057 1.00 1.28 H new ATOM 0 HA3 GLY A 32 -1.417 12.206 8.552 1.00 1.28 H new ATOM 445 N VAL A 33 -0.315 14.845 8.389 1.00 1.55 N ATOM 446 CA VAL A 33 0.654 15.817 7.900 1.00 1.66 C ATOM 447 C VAL A 33 2.067 15.250 7.932 1.00 1.75 C ATOM 448 O VAL A 33 2.642 15.048 9.002 1.00 1.96 O ATOM 449 CB VAL A 33 0.622 17.119 8.727 1.00 1.93 C ATOM 450 CG1 VAL A 33 1.721 18.077 8.274 1.00 2.48 C ATOM 451 CG2 VAL A 33 -0.745 17.779 8.629 1.00 2.02 C ATOM 0 H VAL A 33 -0.430 14.836 9.402 1.00 1.55 H new ATOM 0 HA VAL A 33 0.375 16.042 6.871 1.00 1.66 H new ATOM 0 HB VAL A 33 0.806 16.866 9.771 1.00 1.93 H new ATOM 0 HG11 VAL A 33 1.679 18.988 8.871 1.00 2.48 H new ATOM 0 HG12 VAL A 33 2.694 17.603 8.404 1.00 2.48 H new ATOM 0 HG13 VAL A 33 1.576 18.326 7.223 1.00 2.48 H new ATOM 0 HG21 VAL A 33 -0.749 18.696 9.218 1.00 2.02 H new ATOM 0 HG22 VAL A 33 -0.961 18.016 7.587 1.00 2.02 H new ATOM 0 HG23 VAL A 33 -1.506 17.098 9.011 1.00 2.02 H new ATOM 461 N GLN A 34 2.628 15.013 6.754 1.00 1.66 N ATOM 462 CA GLN A 34 3.981 14.492 6.650 1.00 1.81 C ATOM 463 C GLN A 34 4.885 15.507 5.965 1.00 2.00 C ATOM 464 O GLN A 34 4.504 16.114 4.965 1.00 1.97 O ATOM 465 CB GLN A 34 3.997 13.170 5.882 1.00 1.63 C ATOM 466 CG GLN A 34 5.271 12.370 6.091 1.00 1.81 C ATOM 467 CD GLN A 34 5.020 11.036 6.768 1.00 1.79 C ATOM 468 OE1 GLN A 34 4.430 10.975 7.846 1.00 2.15 O ATOM 469 NE2 GLN A 34 5.470 9.958 6.135 1.00 1.62 N ATOM 0 H GLN A 34 2.166 15.174 5.859 1.00 1.66 H new ATOM 0 HA GLN A 34 4.354 14.308 7.657 1.00 1.81 H new ATOM 0 HB2 GLN A 34 3.143 12.568 6.191 1.00 1.63 H new ATOM 0 HB3 GLN A 34 3.875 13.374 4.818 1.00 1.63 H new ATOM 0 HG2 GLN A 34 5.750 12.199 5.127 1.00 1.81 H new ATOM 0 HG3 GLN A 34 5.967 12.954 6.694 1.00 1.81 H new ATOM 0 HE21 GLN A 34 5.954 10.056 5.243 1.00 1.62 H new ATOM 0 HE22 GLN A 34 5.331 9.033 6.542 1.00 1.62 H new ATOM 478 N ASN A 35 6.079 15.695 6.518 1.00 2.25 N ATOM 479 CA ASN A 35 7.043 16.644 5.971 1.00 2.48 C ATOM 480 C ASN A 35 6.403 18.014 5.741 1.00 2.53 C ATOM 481 O ASN A 35 6.824 18.767 4.863 1.00 2.66 O ATOM 482 CB ASN A 35 7.649 16.104 4.669 1.00 2.44 C ATOM 483 CG ASN A 35 6.714 16.227 3.480 1.00 2.65 C ATOM 484 OD1 ASN A 35 6.592 17.294 2.879 1.00 3.01 O ATOM 485 ND2 ASN A 35 6.049 15.131 3.134 1.00 2.89 N ATOM 0 H ASN A 35 6.403 15.200 7.349 1.00 2.25 H new ATOM 0 HA ASN A 35 7.843 16.769 6.701 1.00 2.48 H new ATOM 0 HB2 ASN A 35 8.572 16.642 4.455 1.00 2.44 H new ATOM 0 HB3 ASN A 35 7.916 15.056 4.807 1.00 2.44 H new ATOM 0 HD21 ASN A 35 5.407 15.153 2.342 1.00 2.89 H new ATOM 0 HD22 ASN A 35 6.180 14.267 3.660 1.00 2.89 H new ATOM 492 N GLY A 36 5.390 18.330 6.543 1.00 2.48 N ATOM 493 CA GLY A 36 4.713 19.608 6.419 1.00 2.56 C ATOM 494 C GLY A 36 3.830 19.689 5.189 1.00 2.37 C ATOM 495 O GLY A 36 3.831 20.699 4.485 1.00 2.51 O ATOM 0 H GLY A 36 5.026 17.723 7.277 1.00 2.48 H new ATOM 0 HA2 GLY A 36 4.106 19.780 7.308 1.00 2.56 H new ATOM 0 HA3 GLY A 36 5.456 20.405 6.381 1.00 2.56 H new ATOM 499 N GLN A 37 3.074 18.628 4.930 1.00 2.10 N ATOM 500 CA GLN A 37 2.182 18.592 3.775 1.00 1.96 C ATOM 501 C GLN A 37 1.045 17.597 3.988 1.00 1.70 C ATOM 502 O GLN A 37 1.272 16.462 4.408 1.00 1.56 O ATOM 503 CB GLN A 37 2.964 18.224 2.512 1.00 1.98 C ATOM 504 CG GLN A 37 4.179 19.103 2.269 1.00 2.34 C ATOM 505 CD GLN A 37 4.817 18.854 0.917 1.00 2.82 C ATOM 506 OE1 GLN A 37 6.013 18.577 0.823 1.00 3.36 O ATOM 507 NE2 GLN A 37 4.020 18.953 -0.141 1.00 3.14 N ATOM 0 H GLN A 37 3.060 17.783 5.502 1.00 2.10 H new ATOM 0 HA GLN A 37 1.751 19.586 3.654 1.00 1.96 H new ATOM 0 HB2 GLN A 37 3.287 17.185 2.585 1.00 1.98 H new ATOM 0 HB3 GLN A 37 2.299 18.292 1.651 1.00 1.98 H new ATOM 0 HG2 GLN A 37 3.885 20.150 2.341 1.00 2.34 H new ATOM 0 HG3 GLN A 37 4.915 18.924 3.053 1.00 2.34 H new ATOM 0 HE21 GLN A 37 3.034 19.185 -0.017 1.00 3.14 H new ATOM 0 HE22 GLN A 37 4.394 18.797 -1.077 1.00 3.14 H new ATOM 516 N TRP A 38 -0.177 18.028 3.689 1.00 1.70 N ATOM 517 CA TRP A 38 -1.348 17.171 3.841 1.00 1.52 C ATOM 518 C TRP A 38 -1.313 16.035 2.826 1.00 1.36 C ATOM 519 O TRP A 38 -0.963 16.242 1.664 1.00 1.48 O ATOM 520 CB TRP A 38 -2.632 17.981 3.653 1.00 1.66 C ATOM 521 CG TRP A 38 -3.155 18.588 4.919 1.00 1.81 C ATOM 522 CD1 TRP A 38 -3.569 19.876 5.092 1.00 2.13 C ATOM 523 CD2 TRP A 38 -3.327 17.936 6.183 1.00 1.76 C ATOM 524 NE1 TRP A 38 -3.984 20.069 6.387 1.00 2.29 N ATOM 525 CE2 TRP A 38 -3.846 18.893 7.077 1.00 2.06 C ATOM 526 CE3 TRP A 38 -3.094 16.638 6.648 1.00 1.60 C ATOM 527 CZ2 TRP A 38 -4.135 18.593 8.406 1.00 2.17 C ATOM 528 CZ3 TRP A 38 -3.381 16.342 7.969 1.00 1.73 C ATOM 529 CH2 TRP A 38 -3.897 17.315 8.833 1.00 1.99 C ATOM 0 H TRP A 38 -0.382 18.964 3.340 1.00 1.70 H new ATOM 0 HA TRP A 38 -1.332 16.753 4.847 1.00 1.52 H new ATOM 0 HB2 TRP A 38 -2.447 18.775 2.930 1.00 1.66 H new ATOM 0 HB3 TRP A 38 -3.399 17.334 3.227 1.00 1.66 H new ATOM 0 HD1 TRP A 38 -3.570 20.634 4.323 1.00 2.13 H new ATOM 0 HE1 TRP A 38 -4.337 20.945 6.772 1.00 2.29 H new ATOM 0 HE3 TRP A 38 -2.697 15.880 5.988 1.00 1.60 H new ATOM 0 HZ2 TRP A 38 -4.532 19.342 9.075 1.00 2.17 H new ATOM 0 HZ3 TRP A 38 -3.204 15.343 8.340 1.00 1.73 H new ATOM 0 HH2 TRP A 38 -4.112 17.051 9.858 1.00 1.99 H new ATOM 540 N CYS A 39 -1.683 14.839 3.264 1.00 1.14 N ATOM 541 CA CYS A 39 -1.695 13.681 2.379 1.00 1.02 C ATOM 542 C CYS A 39 -2.292 12.462 3.072 1.00 0.92 C ATOM 543 O CYS A 39 -2.046 12.222 4.254 1.00 1.02 O ATOM 544 CB CYS A 39 -0.282 13.354 1.879 1.00 1.00 C ATOM 545 SG CYS A 39 1.071 13.941 2.950 1.00 1.56 S ATOM 0 H CYS A 39 -1.977 14.645 4.221 1.00 1.14 H new ATOM 0 HA CYS A 39 -2.320 13.935 1.523 1.00 1.02 H new ATOM 0 HB2 CYS A 39 -0.194 12.273 1.767 1.00 1.00 H new ATOM 0 HB3 CYS A 39 -0.154 13.788 0.887 1.00 1.00 H new ATOM 550 N GLY A 40 -3.074 11.691 2.323 1.00 0.92 N ATOM 551 CA GLY A 40 -3.691 10.501 2.874 1.00 0.96 C ATOM 552 C GLY A 40 -2.682 9.403 3.138 1.00 0.87 C ATOM 553 O GLY A 40 -1.578 9.423 2.594 1.00 0.96 O ATOM 0 H GLY A 40 -3.291 11.871 1.343 1.00 0.92 H new ATOM 0 HA2 GLY A 40 -4.200 10.755 3.804 1.00 0.96 H new ATOM 0 HA3 GLY A 40 -4.451 10.135 2.184 1.00 0.96 H new ATOM 557 N ILE A 41 -3.056 8.447 3.979 1.00 0.90 N ATOM 558 CA ILE A 41 -2.170 7.341 4.316 1.00 0.92 C ATOM 559 C ILE A 41 -2.489 6.106 3.474 1.00 1.12 C ATOM 560 O ILE A 41 -3.422 5.360 3.770 1.00 1.38 O ATOM 561 CB ILE A 41 -2.259 7.004 5.824 1.00 1.04 C ATOM 562 CG1 ILE A 41 -1.363 7.950 6.619 1.00 0.99 C ATOM 563 CG2 ILE A 41 -1.873 5.559 6.099 1.00 1.24 C ATOM 564 CD1 ILE A 41 -1.876 9.370 6.654 1.00 0.91 C ATOM 0 H ILE A 41 -3.966 8.415 4.439 1.00 0.90 H new ATOM 0 HA ILE A 41 -1.150 7.652 4.092 1.00 0.92 H new ATOM 0 HB ILE A 41 -3.295 7.134 6.138 1.00 1.04 H new ATOM 0 HG12 ILE A 41 -1.270 7.579 7.640 1.00 0.99 H new ATOM 0 HG13 ILE A 41 -0.363 7.943 6.185 1.00 0.99 H new ATOM 0 HG21 ILE A 41 -1.948 5.360 7.168 1.00 1.24 H new ATOM 0 HG22 ILE A 41 -2.546 4.893 5.558 1.00 1.24 H new ATOM 0 HG23 ILE A 41 -0.849 5.387 5.768 1.00 1.24 H new ATOM 0 HD11 ILE A 41 -1.193 9.990 7.235 1.00 0.91 H new ATOM 0 HD12 ILE A 41 -1.943 9.758 5.638 1.00 0.91 H new ATOM 0 HD13 ILE A 41 -2.864 9.389 7.115 1.00 0.91 H new ATOM 576 N ASP A 42 -1.700 5.903 2.424 1.00 1.06 N ATOM 577 CA ASP A 42 -1.882 4.765 1.530 1.00 1.29 C ATOM 578 C ASP A 42 -0.677 3.833 1.592 1.00 1.35 C ATOM 579 O ASP A 42 0.327 4.061 0.919 1.00 1.32 O ATOM 580 CB ASP A 42 -2.076 5.246 0.093 1.00 1.36 C ATOM 581 CG ASP A 42 -3.478 5.747 -0.173 1.00 2.00 C ATOM 582 OD1 ASP A 42 -4.083 5.303 -1.171 1.00 2.58 O ATOM 583 OD2 ASP A 42 -3.968 6.586 0.611 1.00 2.67 O ATOM 0 H ASP A 42 -0.925 6.515 2.170 1.00 1.06 H new ATOM 0 HA ASP A 42 -2.769 4.220 1.853 1.00 1.29 H new ATOM 0 HB2 ASP A 42 -1.364 6.044 -0.117 1.00 1.36 H new ATOM 0 HB3 ASP A 42 -1.851 4.429 -0.592 1.00 1.36 H new ATOM 588 N TYR A 43 -0.780 2.782 2.396 1.00 1.52 N ATOM 589 CA TYR A 43 0.313 1.823 2.531 1.00 1.65 C ATOM 590 C TYR A 43 0.597 1.118 1.205 1.00 1.79 C ATOM 591 O TYR A 43 1.659 0.520 1.027 1.00 1.95 O ATOM 592 CB TYR A 43 -0.008 0.785 3.609 1.00 1.85 C ATOM 593 CG TYR A 43 -0.613 1.369 4.866 1.00 1.82 C ATOM 594 CD1 TYR A 43 -0.066 2.496 5.466 1.00 2.05 C ATOM 595 CD2 TYR A 43 -1.729 0.788 5.455 1.00 2.25 C ATOM 596 CE1 TYR A 43 -0.615 3.027 6.619 1.00 2.09 C ATOM 597 CE2 TYR A 43 -2.284 1.314 6.605 1.00 2.27 C ATOM 598 CZ TYR A 43 -1.724 2.432 7.183 1.00 1.89 C ATOM 599 OH TYR A 43 -2.273 2.959 8.330 1.00 1.97 O ATOM 0 H TYR A 43 -1.602 2.571 2.961 1.00 1.52 H new ATOM 0 HA TYR A 43 1.203 2.379 2.826 1.00 1.65 H new ATOM 0 HB2 TYR A 43 -0.696 0.048 3.195 1.00 1.85 H new ATOM 0 HB3 TYR A 43 0.907 0.254 3.871 1.00 1.85 H new ATOM 0 HD1 TYR A 43 0.801 2.965 5.025 1.00 2.05 H new ATOM 0 HD2 TYR A 43 -2.170 -0.090 5.006 1.00 2.25 H new ATOM 0 HE1 TYR A 43 -0.178 3.903 7.075 1.00 2.09 H new ATOM 0 HE2 TYR A 43 -3.153 0.851 7.049 1.00 2.27 H new ATOM 0 HH TYR A 43 -1.758 3.745 8.608 1.00 1.97 H new ATOM 609 N SER A 44 -0.357 1.183 0.278 1.00 1.81 N ATOM 610 CA SER A 44 -0.205 0.543 -1.025 1.00 1.98 C ATOM 611 C SER A 44 -0.494 1.524 -2.159 1.00 1.91 C ATOM 612 O SER A 44 -1.278 1.228 -3.062 1.00 2.07 O ATOM 613 CB SER A 44 -1.136 -0.665 -1.134 1.00 2.24 C ATOM 614 OG SER A 44 -0.516 -1.836 -0.631 1.00 2.34 O ATOM 0 H SER A 44 -1.243 1.672 0.406 1.00 1.81 H new ATOM 0 HA SER A 44 0.829 0.210 -1.115 1.00 1.98 H new ATOM 0 HB2 SER A 44 -2.055 -0.470 -0.581 1.00 2.24 H new ATOM 0 HB3 SER A 44 -1.417 -0.818 -2.176 1.00 2.24 H new ATOM 0 HG SER A 44 -1.133 -2.593 -0.711 1.00 2.34 H new ATOM 620 N TYR A 45 0.136 2.694 -2.108 1.00 1.70 N ATOM 621 CA TYR A 45 -0.068 3.712 -3.134 1.00 1.67 C ATOM 622 C TYR A 45 0.900 3.530 -4.310 1.00 1.81 C ATOM 623 O TYR A 45 1.278 4.498 -4.968 1.00 2.00 O ATOM 624 CB TYR A 45 0.069 5.115 -2.521 1.00 1.45 C ATOM 625 CG TYR A 45 1.465 5.695 -2.580 1.00 1.36 C ATOM 626 CD1 TYR A 45 2.578 4.875 -2.495 1.00 1.77 C ATOM 627 CD2 TYR A 45 1.663 7.061 -2.728 1.00 1.78 C ATOM 628 CE1 TYR A 45 3.852 5.395 -2.554 1.00 1.80 C ATOM 629 CE2 TYR A 45 2.936 7.593 -2.787 1.00 1.81 C ATOM 630 CZ TYR A 45 4.029 6.755 -2.699 1.00 1.43 C ATOM 631 OH TYR A 45 5.300 7.279 -2.758 1.00 1.57 O ATOM 0 H TYR A 45 0.789 2.960 -1.371 1.00 1.70 H new ATOM 0 HA TYR A 45 -1.078 3.598 -3.528 1.00 1.67 H new ATOM 0 HB2 TYR A 45 -0.613 5.791 -3.037 1.00 1.45 H new ATOM 0 HB3 TYR A 45 -0.250 5.075 -1.479 1.00 1.45 H new ATOM 0 HD1 TYR A 45 2.445 3.809 -2.380 1.00 1.77 H new ATOM 0 HD2 TYR A 45 0.808 7.718 -2.798 1.00 1.78 H new ATOM 0 HE1 TYR A 45 4.709 4.741 -2.487 1.00 1.80 H new ATOM 0 HE2 TYR A 45 3.075 8.658 -2.901 1.00 1.81 H new ATOM 0 HH TYR A 45 5.315 8.032 -3.385 1.00 1.57 H new ATOM 641 N GLY A 46 1.299 2.290 -4.567 1.00 1.88 N ATOM 642 CA GLY A 46 2.212 2.020 -5.662 1.00 2.04 C ATOM 643 C GLY A 46 3.665 2.129 -5.248 1.00 1.73 C ATOM 644 O GLY A 46 4.394 2.993 -5.736 1.00 1.75 O ATOM 0 H GLY A 46 1.007 1.468 -4.038 1.00 1.88 H new ATOM 0 HA2 GLY A 46 2.023 1.019 -6.050 1.00 2.04 H new ATOM 0 HA3 GLY A 46 2.016 2.719 -6.475 1.00 2.04 H new ATOM 648 N GLN A 47 4.086 1.251 -4.347 1.00 1.72 N ATOM 649 CA GLN A 47 5.462 1.251 -3.868 1.00 1.52 C ATOM 650 C GLN A 47 6.262 0.129 -4.522 1.00 1.43 C ATOM 651 O GLN A 47 5.758 -0.579 -5.394 1.00 1.54 O ATOM 652 CB GLN A 47 5.494 1.100 -2.347 1.00 1.52 C ATOM 653 CG GLN A 47 4.808 2.239 -1.609 1.00 1.68 C ATOM 654 CD GLN A 47 5.791 3.152 -0.902 1.00 2.32 C ATOM 655 OE1 GLN A 47 6.788 3.580 -1.484 1.00 2.99 O ATOM 656 NE2 GLN A 47 5.515 3.454 0.361 1.00 2.78 N ATOM 0 H GLN A 47 3.495 0.530 -3.933 1.00 1.72 H new ATOM 0 HA GLN A 47 5.917 2.203 -4.139 1.00 1.52 H new ATOM 0 HB2 GLN A 47 5.015 0.160 -2.073 1.00 1.52 H new ATOM 0 HB3 GLN A 47 6.531 1.037 -2.018 1.00 1.52 H new ATOM 0 HG2 GLN A 47 4.220 2.823 -2.317 1.00 1.68 H new ATOM 0 HG3 GLN A 47 4.111 1.827 -0.879 1.00 1.68 H new ATOM 0 HE21 GLN A 47 4.677 3.077 0.804 1.00 2.78 H new ATOM 0 HE22 GLN A 47 6.141 4.063 0.888 1.00 2.78 H new ATOM 665 N ASN A 48 7.512 -0.027 -4.099 1.00 1.45 N ATOM 666 CA ASN A 48 8.381 -1.061 -4.648 1.00 1.53 C ATOM 667 C ASN A 48 8.145 -2.402 -3.956 1.00 1.35 C ATOM 668 O ASN A 48 7.691 -2.452 -2.813 1.00 1.38 O ATOM 669 CB ASN A 48 9.847 -0.651 -4.503 1.00 1.85 C ATOM 670 CG ASN A 48 10.121 0.726 -5.074 1.00 2.23 C ATOM 671 OD1 ASN A 48 9.238 1.358 -5.654 1.00 2.75 O ATOM 672 ND2 ASN A 48 11.351 1.201 -4.911 1.00 2.73 N ATOM 0 H ASN A 48 7.946 0.549 -3.378 1.00 1.45 H new ATOM 0 HA ASN A 48 8.143 -1.175 -5.706 1.00 1.53 H new ATOM 0 HB2 ASN A 48 10.123 -0.666 -3.449 1.00 1.85 H new ATOM 0 HB3 ASN A 48 10.478 -1.383 -5.008 1.00 1.85 H new ATOM 0 HD21 ASN A 48 11.594 2.123 -5.273 1.00 2.73 H new ATOM 0 HD22 ASN A 48 12.053 0.644 -4.424 1.00 2.73 H new ATOM 679 N GLN A 49 8.462 -3.485 -4.659 1.00 1.30 N ATOM 680 CA GLN A 49 8.293 -4.829 -4.119 1.00 1.31 C ATOM 681 C GLN A 49 9.567 -5.283 -3.390 1.00 1.58 C ATOM 682 O GLN A 49 9.688 -6.434 -2.977 1.00 1.82 O ATOM 683 CB GLN A 49 7.899 -5.797 -5.255 1.00 1.30 C ATOM 684 CG GLN A 49 8.423 -7.222 -5.119 1.00 1.64 C ATOM 685 CD GLN A 49 9.876 -7.355 -5.536 1.00 2.44 C ATOM 686 OE1 GLN A 49 10.727 -7.767 -4.747 1.00 2.92 O ATOM 687 NE2 GLN A 49 10.166 -7.010 -6.784 1.00 3.16 N ATOM 0 H GLN A 49 8.838 -3.457 -5.607 1.00 1.30 H new ATOM 0 HA GLN A 49 7.489 -4.828 -3.383 1.00 1.31 H new ATOM 0 HB2 GLN A 49 6.811 -5.833 -5.316 1.00 1.30 H new ATOM 0 HB3 GLN A 49 8.257 -5.386 -6.199 1.00 1.30 H new ATOM 0 HG2 GLN A 49 8.315 -7.547 -4.084 1.00 1.64 H new ATOM 0 HG3 GLN A 49 7.812 -7.889 -5.728 1.00 1.64 H new ATOM 0 HE21 GLN A 49 9.430 -6.673 -7.404 1.00 3.16 H new ATOM 0 HE22 GLN A 49 11.125 -7.081 -7.123 1.00 3.16 H new ATOM 696 N GLY A 50 10.509 -4.357 -3.212 1.00 1.77 N ATOM 697 CA GLY A 50 11.743 -4.675 -2.520 1.00 2.18 C ATOM 698 C GLY A 50 11.506 -5.235 -1.130 1.00 1.89 C ATOM 699 O GLY A 50 12.407 -5.825 -0.535 1.00 2.27 O ATOM 0 H GLY A 50 10.437 -3.393 -3.536 1.00 1.77 H new ATOM 0 HA2 GLY A 50 12.308 -5.398 -3.107 1.00 2.18 H new ATOM 0 HA3 GLY A 50 12.355 -3.776 -2.446 1.00 2.18 H new ATOM 703 N ASN A 51 10.287 -5.048 -0.614 1.00 1.48 N ATOM 704 CA ASN A 51 9.914 -5.536 0.714 1.00 1.61 C ATOM 705 C ASN A 51 10.253 -4.511 1.790 1.00 1.67 C ATOM 706 O ASN A 51 10.852 -4.841 2.814 1.00 1.93 O ATOM 707 CB ASN A 51 10.599 -6.871 1.019 1.00 2.22 C ATOM 708 CG ASN A 51 9.775 -7.749 1.939 1.00 2.69 C ATOM 709 OD1 ASN A 51 8.551 -7.631 1.997 1.00 3.33 O ATOM 710 ND2 ASN A 51 10.444 -8.638 2.665 1.00 2.92 N ATOM 0 H ASN A 51 9.537 -4.558 -1.102 1.00 1.48 H new ATOM 0 HA ASN A 51 8.835 -5.692 0.717 1.00 1.61 H new ATOM 0 HB2 ASN A 51 10.785 -7.402 0.085 1.00 2.22 H new ATOM 0 HB3 ASN A 51 11.570 -6.681 1.476 1.00 2.22 H new ATOM 0 HD21 ASN A 51 9.943 -9.257 3.302 1.00 2.92 H new ATOM 0 HD22 ASN A 51 11.459 -8.701 2.585 1.00 2.92 H new ATOM 717 N GLU A 52 9.855 -3.265 1.555 1.00 1.60 N ATOM 718 CA GLU A 52 10.104 -2.189 2.506 1.00 1.81 C ATOM 719 C GLU A 52 9.098 -2.243 3.651 1.00 1.84 C ATOM 720 O GLU A 52 9.381 -1.798 4.764 1.00 2.23 O ATOM 721 CB GLU A 52 10.029 -0.831 1.807 1.00 1.92 C ATOM 722 CG GLU A 52 10.841 -0.761 0.524 1.00 1.92 C ATOM 723 CD GLU A 52 10.863 0.631 -0.077 1.00 2.27 C ATOM 724 OE1 GLU A 52 10.628 1.604 0.670 1.00 2.54 O ATOM 725 OE2 GLU A 52 11.114 0.747 -1.295 1.00 2.91 O ATOM 0 H GLU A 52 9.358 -2.976 0.713 1.00 1.60 H new ATOM 0 HA GLU A 52 11.106 -2.319 2.915 1.00 1.81 H new ATOM 0 HB2 GLU A 52 8.987 -0.606 1.580 1.00 1.92 H new ATOM 0 HB3 GLU A 52 10.380 -0.059 2.492 1.00 1.92 H new ATOM 0 HG2 GLU A 52 11.863 -1.081 0.727 1.00 1.92 H new ATOM 0 HG3 GLU A 52 10.427 -1.460 -0.203 1.00 1.92 H new ATOM 732 N SER A 53 7.921 -2.794 3.368 1.00 1.54 N ATOM 733 CA SER A 53 6.868 -2.912 4.368 1.00 1.68 C ATOM 734 C SER A 53 5.929 -4.065 4.027 1.00 1.36 C ATOM 735 O SER A 53 6.232 -4.890 3.165 1.00 1.20 O ATOM 736 CB SER A 53 6.078 -1.605 4.464 1.00 2.01 C ATOM 737 OG SER A 53 5.432 -1.489 5.720 1.00 2.69 O ATOM 0 H SER A 53 7.674 -3.166 2.451 1.00 1.54 H new ATOM 0 HA SER A 53 7.334 -3.116 5.332 1.00 1.68 H new ATOM 0 HB2 SER A 53 6.750 -0.759 4.318 1.00 2.01 H new ATOM 0 HB3 SER A 53 5.337 -1.565 3.666 1.00 2.01 H new ATOM 0 HG SER A 53 4.787 -0.752 5.689 1.00 2.69 H new ATOM 743 N CYS A 54 4.789 -4.117 4.707 1.00 1.43 N ATOM 744 CA CYS A 54 3.807 -5.168 4.473 1.00 1.17 C ATOM 745 C CYS A 54 2.398 -4.661 4.771 1.00 1.32 C ATOM 746 O CYS A 54 2.225 -3.587 5.346 1.00 1.66 O ATOM 747 CB CYS A 54 4.139 -6.406 5.327 1.00 1.27 C ATOM 748 SG CYS A 54 3.107 -6.627 6.819 1.00 1.91 S ATOM 0 H CYS A 54 4.523 -3.443 5.425 1.00 1.43 H new ATOM 0 HA CYS A 54 3.846 -5.456 3.422 1.00 1.17 H new ATOM 0 HB2 CYS A 54 4.041 -7.294 4.703 1.00 1.27 H new ATOM 0 HB3 CYS A 54 5.183 -6.346 5.634 1.00 1.27 H new ATOM 753 N THR A 55 1.395 -5.446 4.392 1.00 1.17 N ATOM 754 CA THR A 55 0.010 -5.074 4.638 1.00 1.44 C ATOM 755 C THR A 55 -0.439 -5.610 5.989 1.00 1.52 C ATOM 756 O THR A 55 0.195 -6.501 6.554 1.00 1.33 O ATOM 757 CB THR A 55 -0.904 -5.609 3.532 1.00 1.44 C ATOM 758 OG1 THR A 55 -0.575 -5.026 2.284 1.00 1.54 O ATOM 759 CG2 THR A 55 -2.376 -5.344 3.789 1.00 1.76 C ATOM 0 H THR A 55 1.516 -6.340 3.915 1.00 1.17 H new ATOM 0 HA THR A 55 -0.058 -3.986 4.642 1.00 1.44 H new ATOM 0 HB THR A 55 -0.742 -6.687 3.520 1.00 1.44 H new ATOM 0 HG1 THR A 55 0.099 -5.577 1.833 1.00 1.54 H new ATOM 0 HG21 THR A 55 -2.967 -5.749 2.968 1.00 1.76 H new ATOM 0 HG22 THR A 55 -2.675 -5.823 4.721 1.00 1.76 H new ATOM 0 HG23 THR A 55 -2.545 -4.270 3.863 1.00 1.76 H new ATOM 767 N GLY A 56 -1.531 -5.066 6.503 1.00 1.92 N ATOM 768 CA GLY A 56 -2.033 -5.509 7.785 1.00 2.08 C ATOM 769 C GLY A 56 -1.188 -5.017 8.938 1.00 2.34 C ATOM 770 O GLY A 56 -1.305 -5.516 10.054 1.00 2.52 O ATOM 0 H GLY A 56 -2.076 -4.328 6.057 1.00 1.92 H new ATOM 0 HA2 GLY A 56 -3.057 -5.157 7.912 1.00 2.08 H new ATOM 0 HA3 GLY A 56 -2.066 -6.598 7.802 1.00 2.08 H new ATOM 774 N ASN A 57 -0.343 -4.026 8.673 1.00 2.42 N ATOM 775 CA ASN A 57 0.514 -3.463 9.706 1.00 2.74 C ATOM 776 C ASN A 57 -0.264 -2.489 10.587 1.00 3.13 C ATOM 777 O ASN A 57 0.298 -1.880 11.497 1.00 3.46 O ATOM 778 CB ASN A 57 1.709 -2.748 9.072 1.00 2.73 C ATOM 779 CG ASN A 57 2.912 -3.656 8.914 1.00 2.72 C ATOM 780 OD1 ASN A 57 3.369 -4.273 9.876 1.00 3.16 O ATOM 781 ND2 ASN A 57 3.432 -3.741 7.695 1.00 2.91 N ATOM 0 H ASN A 57 -0.235 -3.598 7.753 1.00 2.42 H new ATOM 0 HA ASN A 57 0.876 -4.281 10.329 1.00 2.74 H new ATOM 0 HB2 ASN A 57 1.420 -2.360 8.095 1.00 2.73 H new ATOM 0 HB3 ASN A 57 1.983 -1.891 9.687 1.00 2.73 H new ATOM 0 HD21 ASN A 57 4.243 -4.336 7.527 1.00 2.91 H new ATOM 0 HD22 ASN A 57 3.020 -3.211 6.927 1.00 2.91 H new ATOM 788 N GLY A 58 -1.561 -2.344 10.315 1.00 3.14 N ATOM 789 CA GLY A 58 -2.381 -1.443 11.099 1.00 3.53 C ATOM 790 C GLY A 58 -3.167 -2.154 12.185 1.00 3.46 C ATOM 791 O GLY A 58 -3.934 -1.522 12.912 1.00 3.75 O ATOM 0 H GLY A 58 -2.053 -2.834 9.568 1.00 3.14 H new ATOM 0 HA2 GLY A 58 -1.745 -0.685 11.555 1.00 3.53 H new ATOM 0 HA3 GLY A 58 -3.074 -0.922 10.438 1.00 3.53 H new ATOM 795 N SER A 59 -2.984 -3.469 12.302 1.00 3.15 N ATOM 796 CA SER A 59 -3.696 -4.240 13.315 1.00 3.15 C ATOM 797 C SER A 59 -3.009 -5.575 13.598 1.00 2.88 C ATOM 798 O SER A 59 -2.525 -5.811 14.704 1.00 3.06 O ATOM 799 CB SER A 59 -5.140 -4.485 12.873 1.00 3.22 C ATOM 800 OG SER A 59 -5.777 -3.271 12.515 1.00 3.45 O ATOM 0 H SER A 59 -2.355 -4.016 11.714 1.00 3.15 H new ATOM 0 HA SER A 59 -3.689 -3.657 14.236 1.00 3.15 H new ATOM 0 HB2 SER A 59 -5.153 -5.170 12.025 1.00 3.22 H new ATOM 0 HB3 SER A 59 -5.694 -4.966 13.679 1.00 3.22 H new ATOM 0 HG SER A 59 -5.336 -2.524 12.970 1.00 3.45 H new ATOM 806 N TYR A 60 -2.985 -6.450 12.597 1.00 2.52 N ATOM 807 CA TYR A 60 -2.372 -7.770 12.746 1.00 2.30 C ATOM 808 C TYR A 60 -0.919 -7.764 12.267 1.00 2.22 C ATOM 809 O TYR A 60 -0.399 -6.730 11.852 1.00 2.29 O ATOM 810 CB TYR A 60 -3.173 -8.829 11.972 1.00 2.00 C ATOM 811 CG TYR A 60 -4.533 -8.366 11.498 1.00 2.05 C ATOM 812 CD1 TYR A 60 -4.681 -7.732 10.272 1.00 2.36 C ATOM 813 CD2 TYR A 60 -5.667 -8.567 12.275 1.00 2.35 C ATOM 814 CE1 TYR A 60 -5.920 -7.311 9.832 1.00 2.55 C ATOM 815 CE2 TYR A 60 -6.911 -8.148 11.841 1.00 2.50 C ATOM 816 CZ TYR A 60 -7.032 -7.521 10.619 1.00 2.41 C ATOM 817 OH TYR A 60 -8.268 -7.103 10.184 1.00 2.69 O ATOM 0 H TYR A 60 -3.382 -6.271 11.674 1.00 2.52 H new ATOM 0 HA TYR A 60 -2.383 -8.021 13.807 1.00 2.30 H new ATOM 0 HB2 TYR A 60 -2.590 -9.147 11.108 1.00 2.00 H new ATOM 0 HB3 TYR A 60 -3.303 -9.704 12.608 1.00 2.00 H new ATOM 0 HD1 TYR A 60 -3.812 -7.565 9.652 1.00 2.36 H new ATOM 0 HD2 TYR A 60 -5.575 -9.058 13.233 1.00 2.35 H new ATOM 0 HE1 TYR A 60 -6.018 -6.819 8.875 1.00 2.55 H new ATOM 0 HE2 TYR A 60 -7.784 -8.311 12.456 1.00 2.50 H new ATOM 0 HH TYR A 60 -8.945 -7.328 10.856 1.00 2.69 H new ATOM 827 N PRO A 61 -0.236 -8.924 12.325 1.00 2.17 N ATOM 828 CA PRO A 61 1.158 -9.045 11.900 1.00 2.19 C ATOM 829 C PRO A 61 1.287 -9.334 10.408 1.00 1.78 C ATOM 830 O PRO A 61 0.289 -9.538 9.717 1.00 1.48 O ATOM 831 CB PRO A 61 1.638 -10.242 12.711 1.00 2.41 C ATOM 832 CG PRO A 61 0.440 -11.128 12.791 1.00 2.25 C ATOM 833 CD PRO A 61 -0.762 -10.215 12.821 1.00 2.22 C ATOM 0 HA PRO A 61 1.726 -8.129 12.059 1.00 2.19 H new ATOM 0 HB2 PRO A 61 2.474 -10.744 12.224 1.00 2.41 H new ATOM 0 HB3 PRO A 61 1.979 -9.942 13.702 1.00 2.41 H new ATOM 0 HG2 PRO A 61 0.396 -11.800 11.934 1.00 2.25 H new ATOM 0 HG3 PRO A 61 0.477 -11.752 13.684 1.00 2.25 H new ATOM 0 HD2 PRO A 61 -1.565 -10.590 12.187 1.00 2.22 H new ATOM 0 HD3 PRO A 61 -1.168 -10.121 13.828 1.00 2.22 H new ATOM 841 N CYS A 62 2.524 -9.365 9.919 1.00 1.82 N ATOM 842 CA CYS A 62 2.780 -9.648 8.512 1.00 1.50 C ATOM 843 C CYS A 62 2.653 -11.144 8.245 1.00 1.54 C ATOM 844 O CYS A 62 2.857 -11.961 9.142 1.00 1.90 O ATOM 845 CB CYS A 62 4.176 -9.162 8.111 1.00 1.61 C ATOM 846 SG CYS A 62 4.397 -7.355 8.208 1.00 1.81 S ATOM 0 H CYS A 62 3.362 -9.198 10.476 1.00 1.82 H new ATOM 0 HA CYS A 62 2.041 -9.116 7.913 1.00 1.50 H new ATOM 0 HB2 CYS A 62 4.914 -9.642 8.754 1.00 1.61 H new ATOM 0 HB3 CYS A 62 4.382 -9.487 7.091 1.00 1.61 H new ATOM 851 N CYS A 63 2.308 -11.500 7.013 1.00 1.33 N ATOM 852 CA CYS A 63 2.149 -12.902 6.645 1.00 1.54 C ATOM 853 C CYS A 63 3.443 -13.469 6.078 1.00 1.84 C ATOM 854 O CYS A 63 3.982 -14.438 6.609 1.00 2.15 O ATOM 855 CB CYS A 63 1.010 -13.058 5.634 1.00 1.40 C ATOM 856 SG CYS A 63 -0.337 -14.160 6.181 1.00 1.60 S ATOM 0 H CYS A 63 2.134 -10.840 6.255 1.00 1.33 H new ATOM 0 HA CYS A 63 1.901 -13.464 7.545 1.00 1.54 H new ATOM 0 HB2 CYS A 63 0.593 -12.074 5.420 1.00 1.40 H new ATOM 0 HB3 CYS A 63 1.420 -13.441 4.700 1.00 1.40 H new ATOM 861 N ASN A 64 3.921 -12.852 4.997 1.00 1.81 N ATOM 862 CA ASN A 64 5.159 -13.262 4.315 1.00 2.12 C ATOM 863 C ASN A 64 4.857 -14.125 3.092 1.00 2.25 C ATOM 864 O ASN A 64 5.771 -14.562 2.392 1.00 2.55 O ATOM 865 CB ASN A 64 6.110 -14.013 5.258 1.00 2.50 C ATOM 866 CG ASN A 64 7.401 -14.419 4.577 1.00 3.20 C ATOM 867 OD1 ASN A 64 8.358 -13.647 4.517 1.00 3.83 O ATOM 868 ND2 ASN A 64 7.430 -15.641 4.059 1.00 3.57 N ATOM 0 H ASN A 64 3.462 -12.050 4.564 1.00 1.81 H new ATOM 0 HA ASN A 64 5.654 -12.347 3.989 1.00 2.12 H new ATOM 0 HB2 ASN A 64 6.339 -13.382 6.117 1.00 2.50 H new ATOM 0 HB3 ASN A 64 5.610 -14.902 5.641 1.00 2.50 H new ATOM 0 HD21 ASN A 64 8.270 -15.975 3.587 1.00 3.57 H new ATOM 0 HD22 ASN A 64 6.612 -16.246 4.133 1.00 3.57 H new ATOM 875 N THR A 65 3.577 -14.366 2.833 1.00 2.16 N ATOM 876 CA THR A 65 3.172 -15.173 1.692 1.00 2.39 C ATOM 877 C THR A 65 2.503 -14.306 0.632 1.00 2.22 C ATOM 878 O THR A 65 1.744 -13.392 0.955 1.00 1.90 O ATOM 879 CB THR A 65 2.223 -16.282 2.147 1.00 2.55 C ATOM 880 OG1 THR A 65 2.030 -17.234 1.116 1.00 2.93 O ATOM 881 CG2 THR A 65 0.860 -15.773 2.566 1.00 2.23 C ATOM 0 H THR A 65 2.804 -14.014 3.398 1.00 2.16 H new ATOM 0 HA THR A 65 4.061 -15.626 1.253 1.00 2.39 H new ATOM 0 HB THR A 65 2.705 -16.733 3.014 1.00 2.55 H new ATOM 0 HG1 THR A 65 1.421 -17.936 1.428 1.00 2.93 H new ATOM 0 HG21 THR A 65 0.238 -16.612 2.877 1.00 2.23 H new ATOM 0 HG22 THR A 65 0.971 -15.077 3.397 1.00 2.23 H new ATOM 0 HG23 THR A 65 0.388 -15.263 1.726 1.00 2.23 H new ATOM 889 N CYS A 66 2.782 -14.597 -0.634 1.00 2.51 N ATOM 890 CA CYS A 66 2.196 -13.838 -1.733 1.00 2.50 C ATOM 891 C CYS A 66 0.903 -14.490 -2.206 1.00 2.72 C ATOM 892 O CYS A 66 0.638 -14.581 -3.405 1.00 2.98 O ATOM 893 CB CYS A 66 3.185 -13.721 -2.896 1.00 2.75 C ATOM 894 SG CYS A 66 4.894 -13.353 -2.385 1.00 3.67 S ATOM 0 H CYS A 66 3.407 -15.349 -0.924 1.00 2.51 H new ATOM 0 HA CYS A 66 1.967 -12.836 -1.369 1.00 2.50 H new ATOM 0 HB2 CYS A 66 3.179 -14.654 -3.459 1.00 2.75 H new ATOM 0 HB3 CYS A 66 2.843 -12.938 -3.572 1.00 2.75 H new ATOM 899 N GLN A 67 0.099 -14.928 -1.248 1.00 2.71 N ATOM 900 CA GLN A 67 -1.178 -15.560 -1.538 1.00 2.96 C ATOM 901 C GLN A 67 -2.276 -14.837 -0.768 1.00 2.74 C ATOM 902 O GLN A 67 -2.577 -15.177 0.372 1.00 2.61 O ATOM 903 CB GLN A 67 -1.117 -17.052 -1.167 1.00 3.22 C ATOM 904 CG GLN A 67 -2.447 -17.668 -0.743 1.00 3.36 C ATOM 905 CD GLN A 67 -2.466 -18.061 0.724 1.00 3.20 C ATOM 906 OE1 GLN A 67 -3.036 -19.087 1.095 1.00 3.42 O ATOM 907 NE2 GLN A 67 -1.843 -17.245 1.569 1.00 2.84 N ATOM 0 H GLN A 67 0.313 -14.856 -0.253 1.00 2.71 H new ATOM 0 HA GLN A 67 -1.400 -15.492 -2.603 1.00 2.96 H new ATOM 0 HB2 GLN A 67 -0.733 -17.608 -2.022 1.00 3.22 H new ATOM 0 HB3 GLN A 67 -0.400 -17.180 -0.356 1.00 3.22 H new ATOM 0 HG2 GLN A 67 -3.250 -16.957 -0.936 1.00 3.36 H new ATOM 0 HG3 GLN A 67 -2.647 -18.548 -1.354 1.00 3.36 H new ATOM 0 HE21 GLN A 67 -1.383 -16.404 1.220 1.00 2.84 H new ATOM 0 HE22 GLN A 67 -1.825 -17.460 2.566 1.00 2.84 H new ATOM 916 N ALA A 68 -2.858 -13.828 -1.400 1.00 2.77 N ATOM 917 CA ALA A 68 -3.904 -13.042 -0.776 1.00 2.67 C ATOM 918 C ALA A 68 -5.268 -13.670 -0.985 1.00 3.05 C ATOM 919 O ALA A 68 -5.959 -13.393 -1.965 1.00 3.49 O ATOM 920 CB ALA A 68 -3.883 -11.624 -1.303 1.00 2.63 C ATOM 0 H ALA A 68 -2.620 -13.536 -2.348 1.00 2.77 H new ATOM 0 HA ALA A 68 -3.712 -13.020 0.297 1.00 2.67 H new ATOM 0 HB1 ALA A 68 -4.674 -11.046 -0.825 1.00 2.63 H new ATOM 0 HB2 ALA A 68 -2.918 -11.168 -1.083 1.00 2.63 H new ATOM 0 HB3 ALA A 68 -4.042 -11.634 -2.381 1.00 2.63 H new ATOM 926 N THR A 69 -5.640 -14.516 -0.046 1.00 2.93 N ATOM 927 CA THR A 69 -6.920 -15.204 -0.089 1.00 3.26 C ATOM 928 C THR A 69 -8.076 -14.209 -0.028 1.00 3.35 C ATOM 929 O THR A 69 -9.197 -14.529 -0.424 1.00 3.70 O ATOM 930 CB THR A 69 -7.023 -16.204 1.069 1.00 3.17 C ATOM 931 OG1 THR A 69 -8.369 -16.371 1.481 1.00 3.30 O ATOM 932 CG2 THR A 69 -6.218 -15.795 2.284 1.00 2.76 C ATOM 0 H THR A 69 -5.068 -14.747 0.766 1.00 2.93 H new ATOM 0 HA THR A 69 -6.984 -15.745 -1.033 1.00 3.26 H new ATOM 0 HB THR A 69 -6.617 -17.136 0.677 1.00 3.17 H new ATOM 0 HG1 THR A 69 -8.408 -17.014 2.219 1.00 3.30 H new ATOM 0 HG21 THR A 69 -6.334 -16.545 3.067 1.00 2.76 H new ATOM 0 HG22 THR A 69 -5.165 -15.714 2.013 1.00 2.76 H new ATOM 0 HG23 THR A 69 -6.574 -14.832 2.649 1.00 2.76 H new ATOM 940 N TYR A 70 -7.808 -13.003 0.473 1.00 3.07 N ATOM 941 CA TYR A 70 -8.847 -11.991 0.578 1.00 3.23 C ATOM 942 C TYR A 70 -8.260 -10.583 0.557 1.00 3.09 C ATOM 943 O TYR A 70 -7.230 -10.321 1.174 1.00 2.71 O ATOM 944 CB TYR A 70 -9.671 -12.224 1.854 1.00 3.15 C ATOM 945 CG TYR A 70 -9.256 -11.393 3.054 1.00 2.81 C ATOM 946 CD1 TYR A 70 -8.680 -11.992 4.168 1.00 2.87 C ATOM 947 CD2 TYR A 70 -9.453 -10.016 3.079 1.00 2.98 C ATOM 948 CE1 TYR A 70 -8.312 -11.244 5.271 1.00 2.66 C ATOM 949 CE2 TYR A 70 -9.085 -9.263 4.177 1.00 2.80 C ATOM 950 CZ TYR A 70 -8.516 -9.881 5.270 1.00 2.38 C ATOM 951 OH TYR A 70 -8.151 -9.133 6.366 1.00 2.28 O ATOM 0 H TYR A 70 -6.890 -12.710 0.808 1.00 3.07 H new ATOM 0 HA TYR A 70 -9.502 -12.079 -0.289 1.00 3.23 H new ATOM 0 HB2 TYR A 70 -10.718 -12.017 1.634 1.00 3.15 H new ATOM 0 HB3 TYR A 70 -9.605 -13.278 2.122 1.00 3.15 H new ATOM 0 HD1 TYR A 70 -8.517 -13.060 4.172 1.00 2.87 H new ATOM 0 HD2 TYR A 70 -9.901 -9.528 2.226 1.00 2.98 H new ATOM 0 HE1 TYR A 70 -7.867 -11.725 6.129 1.00 2.66 H new ATOM 0 HE2 TYR A 70 -9.242 -8.195 4.179 1.00 2.80 H new ATOM 0 HH TYR A 70 -7.352 -8.607 6.152 1.00 2.28 H new ATOM 961 N THR A 71 -8.938 -9.679 -0.140 1.00 3.43 N ATOM 962 CA THR A 71 -8.501 -8.292 -0.226 1.00 3.41 C ATOM 963 C THR A 71 -9.558 -7.372 0.370 1.00 3.67 C ATOM 964 O THR A 71 -10.753 -7.556 0.143 1.00 4.05 O ATOM 965 CB THR A 71 -8.226 -7.896 -1.677 1.00 3.64 C ATOM 966 OG1 THR A 71 -7.189 -8.690 -2.226 1.00 3.45 O ATOM 967 CG2 THR A 71 -7.824 -6.443 -1.829 1.00 3.70 C ATOM 0 H THR A 71 -9.795 -9.883 -0.655 1.00 3.43 H new ATOM 0 HA THR A 71 -7.575 -8.191 0.341 1.00 3.41 H new ATOM 0 HB THR A 71 -9.165 -8.056 -2.207 1.00 3.64 H new ATOM 0 HG1 THR A 71 -7.029 -8.423 -3.155 1.00 3.45 H new ATOM 0 HG21 THR A 71 -7.643 -6.224 -2.881 1.00 3.70 H new ATOM 0 HG22 THR A 71 -8.625 -5.803 -1.458 1.00 3.70 H new ATOM 0 HG23 THR A 71 -6.915 -6.255 -1.257 1.00 3.70 H new ATOM 975 N ASP A 72 -9.112 -6.384 1.134 1.00 3.53 N ATOM 976 CA ASP A 72 -10.025 -5.442 1.762 1.00 3.83 C ATOM 977 C ASP A 72 -9.718 -4.012 1.334 1.00 4.06 C ATOM 978 O ASP A 72 -8.978 -3.784 0.376 1.00 4.12 O ATOM 979 CB ASP A 72 -9.951 -5.566 3.287 1.00 3.69 C ATOM 980 CG ASP A 72 -11.277 -5.976 3.899 1.00 3.99 C ATOM 981 OD1 ASP A 72 -12.327 -5.692 3.285 1.00 4.43 O ATOM 982 OD2 ASP A 72 -11.265 -6.580 4.992 1.00 4.20 O ATOM 0 H ASP A 72 -8.126 -6.215 1.333 1.00 3.53 H new ATOM 0 HA ASP A 72 -11.037 -5.684 1.436 1.00 3.83 H new ATOM 0 HB2 ASP A 72 -9.189 -6.299 3.553 1.00 3.69 H new ATOM 0 HB3 ASP A 72 -9.637 -4.612 3.712 1.00 3.69 H new ATOM 987 N GLY A 73 -10.295 -3.053 2.049 1.00 4.38 N ATOM 988 CA GLY A 73 -10.079 -1.655 1.730 1.00 4.73 C ATOM 989 C GLY A 73 -8.678 -1.174 2.070 1.00 4.37 C ATOM 990 O GLY A 73 -8.356 -0.006 1.852 1.00 4.56 O ATOM 0 H GLY A 73 -10.910 -3.220 2.846 1.00 4.38 H new ATOM 0 HA2 GLY A 73 -10.262 -1.499 0.667 1.00 4.73 H new ATOM 0 HA3 GLY A 73 -10.806 -1.049 2.271 1.00 4.73 H new ATOM 994 N ASP A 74 -7.839 -2.064 2.599 1.00 3.91 N ATOM 995 CA ASP A 74 -6.473 -1.693 2.953 1.00 3.62 C ATOM 996 C ASP A 74 -5.459 -2.476 2.122 1.00 3.25 C ATOM 997 O ASP A 74 -4.255 -2.405 2.370 1.00 3.08 O ATOM 998 CB ASP A 74 -6.228 -1.931 4.445 1.00 3.52 C ATOM 999 CG ASP A 74 -5.984 -0.641 5.204 1.00 3.98 C ATOM 1000 OD1 ASP A 74 -4.814 -0.212 5.285 1.00 4.57 O ATOM 1001 OD2 ASP A 74 -6.963 -0.060 5.718 1.00 4.15 O ATOM 0 H ASP A 74 -8.079 -3.037 2.790 1.00 3.91 H new ATOM 0 HA ASP A 74 -6.344 -0.632 2.737 1.00 3.62 H new ATOM 0 HB2 ASP A 74 -7.088 -2.445 4.874 1.00 3.52 H new ATOM 0 HB3 ASP A 74 -5.369 -2.590 4.569 1.00 3.52 H new ATOM 1006 N GLY A 75 -5.949 -3.223 1.136 1.00 3.28 N ATOM 1007 CA GLY A 75 -5.070 -4.005 0.292 1.00 3.01 C ATOM 1008 C GLY A 75 -5.432 -5.473 0.299 1.00 2.88 C ATOM 1009 O GLY A 75 -6.583 -5.834 0.541 1.00 3.15 O ATOM 0 H GLY A 75 -6.940 -3.299 0.909 1.00 3.28 H new ATOM 0 HA2 GLY A 75 -5.116 -3.626 -0.729 1.00 3.01 H new ATOM 0 HA3 GLY A 75 -4.041 -3.884 0.631 1.00 3.01 H new ATOM 1013 N ASP A 76 -4.450 -6.323 0.038 1.00 2.53 N ATOM 1014 CA ASP A 76 -4.675 -7.763 0.019 1.00 2.45 C ATOM 1015 C ASP A 76 -4.469 -8.350 1.411 1.00 2.07 C ATOM 1016 O ASP A 76 -3.965 -7.676 2.309 1.00 1.86 O ATOM 1017 CB ASP A 76 -3.744 -8.446 -0.990 1.00 2.45 C ATOM 1018 CG ASP A 76 -3.220 -7.495 -2.052 1.00 2.78 C ATOM 1019 OD1 ASP A 76 -3.898 -7.332 -3.089 1.00 3.15 O ATOM 1020 OD2 ASP A 76 -2.134 -6.915 -1.846 1.00 3.06 O ATOM 0 H ASP A 76 -3.490 -6.042 -0.163 1.00 2.53 H new ATOM 0 HA ASP A 76 -5.705 -7.944 -0.289 1.00 2.45 H new ATOM 0 HB2 ASP A 76 -2.901 -8.887 -0.458 1.00 2.45 H new ATOM 0 HB3 ASP A 76 -4.279 -9.263 -1.474 1.00 2.45 H new ATOM 1025 N TRP A 77 -4.874 -9.603 1.593 1.00 2.05 N ATOM 1026 CA TRP A 77 -4.742 -10.262 2.886 1.00 1.75 C ATOM 1027 C TRP A 77 -4.640 -11.774 2.743 1.00 1.82 C ATOM 1028 O TRP A 77 -5.174 -12.362 1.803 1.00 2.18 O ATOM 1029 CB TRP A 77 -5.931 -9.910 3.780 1.00 1.88 C ATOM 1030 CG TRP A 77 -6.161 -8.436 3.918 1.00 2.04 C ATOM 1031 CD1 TRP A 77 -6.867 -7.627 3.072 1.00 2.45 C ATOM 1032 CD2 TRP A 77 -5.682 -7.594 4.968 1.00 1.94 C ATOM 1033 NE1 TRP A 77 -6.857 -6.337 3.536 1.00 2.58 N ATOM 1034 CE2 TRP A 77 -6.136 -6.290 4.697 1.00 2.31 C ATOM 1035 CE3 TRP A 77 -4.914 -7.816 6.112 1.00 1.71 C ATOM 1036 CZ2 TRP A 77 -5.848 -5.215 5.528 1.00 2.46 C ATOM 1037 CZ3 TRP A 77 -4.628 -6.747 6.937 1.00 1.93 C ATOM 1038 CH2 TRP A 77 -5.095 -5.460 6.642 1.00 2.29 C ATOM 0 H TRP A 77 -5.295 -10.180 0.864 1.00 2.05 H new ATOM 0 HA TRP A 77 -3.819 -9.904 3.342 1.00 1.75 H new ATOM 0 HB2 TRP A 77 -6.830 -10.373 3.374 1.00 1.88 H new ATOM 0 HB3 TRP A 77 -5.771 -10.339 4.769 1.00 1.88 H new ATOM 0 HD1 TRP A 77 -7.361 -7.956 2.170 1.00 2.45 H new ATOM 0 HE1 TRP A 77 -7.313 -5.542 3.088 1.00 2.58 H new ATOM 0 HE3 TRP A 77 -4.550 -8.805 6.347 1.00 1.71 H new ATOM 0 HZ2 TRP A 77 -6.206 -4.221 5.302 1.00 2.46 H new ATOM 0 HZ3 TRP A 77 -4.034 -6.906 7.825 1.00 1.93 H new ATOM 0 HH2 TRP A 77 -4.855 -4.645 7.308 1.00 2.29 H new ATOM 1049 N ALA A 78 -3.951 -12.394 3.695 1.00 1.57 N ATOM 1050 CA ALA A 78 -3.771 -13.837 3.699 1.00 1.78 C ATOM 1051 C ALA A 78 -3.830 -14.391 5.118 1.00 1.65 C ATOM 1052 O ALA A 78 -3.830 -13.636 6.090 1.00 1.36 O ATOM 1053 CB ALA A 78 -2.451 -14.206 3.045 1.00 1.89 C ATOM 0 H ALA A 78 -3.506 -11.914 4.477 1.00 1.57 H new ATOM 0 HA ALA A 78 -4.585 -14.281 3.126 1.00 1.78 H new ATOM 0 HB1 ALA A 78 -2.330 -15.289 3.055 1.00 1.89 H new ATOM 0 HB2 ALA A 78 -2.443 -13.850 2.015 1.00 1.89 H new ATOM 0 HB3 ALA A 78 -1.631 -13.744 3.595 1.00 1.89 H new ATOM 1059 N PHE A 79 -3.878 -15.713 5.229 1.00 1.96 N ATOM 1060 CA PHE A 79 -3.936 -16.366 6.531 1.00 1.96 C ATOM 1061 C PHE A 79 -2.861 -17.442 6.648 1.00 2.19 C ATOM 1062 O PHE A 79 -2.970 -18.510 6.047 1.00 2.51 O ATOM 1063 CB PHE A 79 -5.318 -16.983 6.752 1.00 2.18 C ATOM 1064 CG PHE A 79 -5.500 -17.575 8.120 1.00 2.23 C ATOM 1065 CD1 PHE A 79 -5.551 -16.760 9.240 1.00 2.55 C ATOM 1066 CD2 PHE A 79 -5.623 -18.945 8.286 1.00 2.57 C ATOM 1067 CE1 PHE A 79 -5.720 -17.302 10.500 1.00 2.65 C ATOM 1068 CE2 PHE A 79 -5.792 -19.492 9.544 1.00 2.68 C ATOM 1069 CZ PHE A 79 -5.840 -18.670 10.652 1.00 2.47 C ATOM 0 H PHE A 79 -3.878 -16.353 4.435 1.00 1.96 H new ATOM 0 HA PHE A 79 -3.755 -15.612 7.297 1.00 1.96 H new ATOM 0 HB2 PHE A 79 -6.078 -16.218 6.592 1.00 2.18 H new ATOM 0 HB3 PHE A 79 -5.484 -17.759 6.004 1.00 2.18 H new ATOM 0 HD1 PHE A 79 -5.458 -15.690 9.127 1.00 2.55 H new ATOM 0 HD2 PHE A 79 -5.586 -19.593 7.423 1.00 2.57 H new ATOM 0 HE1 PHE A 79 -5.758 -16.657 11.365 1.00 2.65 H new ATOM 0 HE2 PHE A 79 -5.886 -20.562 9.660 1.00 2.68 H new ATOM 0 HZ PHE A 79 -5.971 -19.096 11.636 1.00 2.47 H new ATOM 1079 N GLU A 80 -1.825 -17.154 7.430 1.00 2.12 N ATOM 1080 CA GLU A 80 -0.734 -18.101 7.629 1.00 2.44 C ATOM 1081 C GLU A 80 -0.357 -18.188 9.104 1.00 2.56 C ATOM 1082 O GLU A 80 -0.625 -17.268 9.878 1.00 2.35 O ATOM 1083 CB GLU A 80 0.481 -17.705 6.780 1.00 2.43 C ATOM 1084 CG GLU A 80 1.426 -16.717 7.452 1.00 2.57 C ATOM 1085 CD GLU A 80 2.483 -17.401 8.298 1.00 3.12 C ATOM 1086 OE1 GLU A 80 3.303 -16.688 8.913 1.00 3.78 O ATOM 1087 OE2 GLU A 80 2.492 -18.650 8.345 1.00 3.34 O ATOM 0 H GLU A 80 -1.718 -16.274 7.935 1.00 2.12 H new ATOM 0 HA GLU A 80 -1.071 -19.086 7.308 1.00 2.44 H new ATOM 0 HB2 GLU A 80 1.039 -18.606 6.525 1.00 2.43 H new ATOM 0 HB3 GLU A 80 0.129 -17.272 5.844 1.00 2.43 H new ATOM 0 HG2 GLU A 80 1.914 -16.111 6.689 1.00 2.57 H new ATOM 0 HG3 GLU A 80 0.849 -16.037 8.079 1.00 2.57 H new ATOM 1094 N ASN A 81 0.257 -19.301 9.490 1.00 2.98 N ATOM 1095 CA ASN A 81 0.658 -19.508 10.876 1.00 3.23 C ATOM 1096 C ASN A 81 -0.545 -19.384 11.808 1.00 3.08 C ATOM 1097 O ASN A 81 -0.395 -19.113 13.000 1.00 3.19 O ATOM 1098 CB ASN A 81 1.736 -18.498 11.275 1.00 3.24 C ATOM 1099 CG ASN A 81 3.136 -19.065 11.144 1.00 3.90 C ATOM 1100 OD1 ASN A 81 3.348 -20.267 11.299 1.00 4.52 O ATOM 1101 ND2 ASN A 81 4.101 -18.199 10.857 1.00 4.12 N ATOM 0 H ASN A 81 0.487 -20.072 8.864 1.00 2.98 H new ATOM 0 HA ASN A 81 1.067 -20.514 10.967 1.00 3.23 H new ATOM 0 HB2 ASN A 81 1.647 -17.610 10.650 1.00 3.24 H new ATOM 0 HB3 ASN A 81 1.570 -18.181 12.305 1.00 3.24 H new ATOM 0 HD21 ASN A 81 5.063 -18.522 10.757 1.00 4.12 H new ATOM 0 HD22 ASN A 81 3.880 -17.211 10.737 1.00 4.12 H new ATOM 1108 N GLY A 82 -1.739 -19.582 11.254 1.00 2.92 N ATOM 1109 CA GLY A 82 -2.950 -19.487 12.045 1.00 2.81 C ATOM 1110 C GLY A 82 -3.227 -18.074 12.517 1.00 2.48 C ATOM 1111 O GLY A 82 -3.675 -17.869 13.645 1.00 2.52 O ATOM 0 H GLY A 82 -1.887 -19.807 10.270 1.00 2.92 H new ATOM 0 HA2 GLY A 82 -3.795 -19.841 11.454 1.00 2.81 H new ATOM 0 HA3 GLY A 82 -2.868 -20.146 12.910 1.00 2.81 H new ATOM 1115 N ASN A 83 -2.959 -17.093 11.657 1.00 2.23 N ATOM 1116 CA ASN A 83 -3.186 -15.696 12.011 1.00 2.00 C ATOM 1117 C ASN A 83 -3.488 -14.853 10.776 1.00 1.70 C ATOM 1118 O ASN A 83 -2.855 -15.012 9.732 1.00 1.67 O ATOM 1119 CB ASN A 83 -1.967 -15.129 12.743 1.00 2.20 C ATOM 1120 CG ASN A 83 -0.660 -15.506 12.072 1.00 2.63 C ATOM 1121 OD1 ASN A 83 -0.009 -16.478 12.456 1.00 3.23 O ATOM 1122 ND2 ASN A 83 -0.269 -14.735 11.064 1.00 2.92 N ATOM 0 H ASN A 83 -2.588 -17.239 10.718 1.00 2.23 H new ATOM 0 HA ASN A 83 -4.053 -15.656 12.671 1.00 2.00 H new ATOM 0 HB2 ASN A 83 -2.048 -14.043 12.790 1.00 2.20 H new ATOM 0 HB3 ASN A 83 -1.962 -15.493 13.771 1.00 2.20 H new ATOM 0 HD21 ASN A 83 0.602 -14.939 10.574 1.00 2.92 H new ATOM 0 HD22 ASN A 83 -0.840 -13.939 10.779 1.00 2.92 H new ATOM 1129 N TRP A 84 -4.457 -13.951 10.907 1.00 1.57 N ATOM 1130 CA TRP A 84 -4.844 -13.075 9.807 1.00 1.42 C ATOM 1131 C TRP A 84 -3.799 -11.987 9.594 1.00 1.30 C ATOM 1132 O TRP A 84 -3.805 -10.961 10.274 1.00 1.43 O ATOM 1133 CB TRP A 84 -6.209 -12.443 10.084 1.00 1.57 C ATOM 1134 CG TRP A 84 -7.352 -13.393 9.900 1.00 1.79 C ATOM 1135 CD1 TRP A 84 -8.192 -13.862 10.869 1.00 2.07 C ATOM 1136 CD2 TRP A 84 -7.779 -13.993 8.672 1.00 1.90 C ATOM 1137 NE1 TRP A 84 -9.117 -14.716 10.318 1.00 2.29 N ATOM 1138 CE2 TRP A 84 -8.884 -14.813 8.971 1.00 2.23 C ATOM 1139 CE3 TRP A 84 -7.336 -13.916 7.348 1.00 1.87 C ATOM 1140 CZ2 TRP A 84 -9.551 -15.549 7.995 1.00 2.53 C ATOM 1141 CZ3 TRP A 84 -7.999 -14.648 6.381 1.00 2.23 C ATOM 1142 CH2 TRP A 84 -9.096 -15.455 6.708 1.00 2.54 C ATOM 0 H TRP A 84 -4.989 -13.808 11.766 1.00 1.57 H new ATOM 0 HA TRP A 84 -4.911 -13.676 8.900 1.00 1.42 H new ATOM 0 HB2 TRP A 84 -6.224 -12.061 11.105 1.00 1.57 H new ATOM 0 HB3 TRP A 84 -6.346 -11.588 9.422 1.00 1.57 H new ATOM 0 HD1 TRP A 84 -8.137 -13.600 11.915 1.00 2.07 H new ATOM 0 HE1 TRP A 84 -9.856 -15.199 10.828 1.00 2.29 H new ATOM 0 HE3 TRP A 84 -6.491 -13.296 7.086 1.00 1.87 H new ATOM 0 HZ2 TRP A 84 -10.397 -16.172 8.245 1.00 2.53 H new ATOM 0 HZ3 TRP A 84 -7.665 -14.597 5.355 1.00 2.23 H new ATOM 0 HH2 TRP A 84 -9.593 -16.014 5.929 1.00 2.54 H new ATOM 1153 N CYS A 85 -2.903 -12.223 8.645 1.00 1.19 N ATOM 1154 CA CYS A 85 -1.844 -11.269 8.333 1.00 1.11 C ATOM 1155 C CYS A 85 -2.117 -10.572 7.006 1.00 0.98 C ATOM 1156 O CYS A 85 -3.055 -10.923 6.290 1.00 1.13 O ATOM 1157 CB CYS A 85 -0.473 -11.960 8.285 1.00 1.25 C ATOM 1158 SG CYS A 85 -0.528 -13.782 8.168 1.00 1.65 S ATOM 0 H CYS A 85 -2.888 -13.069 8.076 1.00 1.19 H new ATOM 0 HA CYS A 85 -1.830 -10.523 9.128 1.00 1.11 H new ATOM 0 HB2 CYS A 85 0.082 -11.573 7.430 1.00 1.25 H new ATOM 0 HB3 CYS A 85 0.087 -11.685 9.179 1.00 1.25 H new ATOM 1163 N GLY A 86 -1.289 -9.585 6.682 1.00 0.92 N ATOM 1164 CA GLY A 86 -1.455 -8.857 5.439 1.00 0.94 C ATOM 1165 C GLY A 86 -0.362 -9.176 4.436 1.00 0.81 C ATOM 1166 O GLY A 86 0.797 -9.357 4.809 1.00 0.81 O ATOM 0 H GLY A 86 -0.506 -9.276 7.258 1.00 0.92 H new ATOM 0 HA2 GLY A 86 -2.425 -9.099 5.005 1.00 0.94 H new ATOM 0 HA3 GLY A 86 -1.456 -7.787 5.644 1.00 0.94 H new ATOM 1170 N ILE A 87 -0.732 -9.253 3.161 1.00 0.95 N ATOM 1171 CA ILE A 87 0.223 -9.561 2.101 1.00 1.00 C ATOM 1172 C ILE A 87 1.377 -8.558 2.086 1.00 0.86 C ATOM 1173 O ILE A 87 1.169 -7.348 2.188 1.00 1.00 O ATOM 1174 CB ILE A 87 -0.487 -9.612 0.719 1.00 1.41 C ATOM 1175 CG1 ILE A 87 -0.681 -11.061 0.263 1.00 1.71 C ATOM 1176 CG2 ILE A 87 0.282 -8.843 -0.345 1.00 1.46 C ATOM 1177 CD1 ILE A 87 -1.189 -11.994 1.337 1.00 1.60 C ATOM 0 H ILE A 87 -1.688 -9.106 2.836 1.00 0.95 H new ATOM 0 HA ILE A 87 0.644 -10.546 2.305 1.00 1.00 H new ATOM 0 HB ILE A 87 -1.460 -9.137 0.845 1.00 1.41 H new ATOM 0 HG12 ILE A 87 -1.380 -11.075 -0.573 1.00 1.71 H new ATOM 0 HG13 ILE A 87 0.270 -11.441 -0.111 1.00 1.71 H new ATOM 0 HG21 ILE A 87 -0.250 -8.905 -1.294 1.00 1.46 H new ATOM 0 HG22 ILE A 87 0.371 -7.798 -0.046 1.00 1.46 H new ATOM 0 HG23 ILE A 87 1.277 -9.274 -0.458 1.00 1.46 H new ATOM 0 HD11 ILE A 87 -1.297 -12.998 0.926 1.00 1.60 H new ATOM 0 HD12 ILE A 87 -0.481 -12.015 2.165 1.00 1.60 H new ATOM 0 HD13 ILE A 87 -2.157 -11.643 1.696 1.00 1.60 H new ATOM 1189 N LYS A 88 2.594 -9.080 1.966 1.00 0.81 N ATOM 1190 CA LYS A 88 3.795 -8.252 1.946 1.00 0.76 C ATOM 1191 C LYS A 88 3.782 -7.269 0.782 1.00 0.83 C ATOM 1192 O LYS A 88 3.194 -7.532 -0.267 1.00 1.02 O ATOM 1193 CB LYS A 88 5.041 -9.135 1.862 1.00 0.90 C ATOM 1194 CG LYS A 88 5.183 -10.098 3.028 1.00 1.08 C ATOM 1195 CD LYS A 88 5.385 -9.359 4.341 1.00 1.29 C ATOM 1196 CE LYS A 88 6.318 -10.118 5.270 1.00 1.66 C ATOM 1197 NZ LYS A 88 7.660 -10.329 4.659 1.00 2.39 N ATOM 0 H LYS A 88 2.775 -10.080 1.881 1.00 0.81 H new ATOM 0 HA LYS A 88 3.815 -7.677 2.872 1.00 0.76 H new ATOM 0 HB2 LYS A 88 5.011 -9.704 0.933 1.00 0.90 H new ATOM 0 HB3 LYS A 88 5.925 -8.499 1.817 1.00 0.90 H new ATOM 0 HG2 LYS A 88 4.293 -10.724 3.095 1.00 1.08 H new ATOM 0 HG3 LYS A 88 6.028 -10.764 2.850 1.00 1.08 H new ATOM 0 HD2 LYS A 88 5.794 -8.368 4.143 1.00 1.29 H new ATOM 0 HD3 LYS A 88 4.422 -9.214 4.830 1.00 1.29 H new ATOM 0 HE2 LYS A 88 6.427 -9.567 6.204 1.00 1.66 H new ATOM 0 HE3 LYS A 88 5.877 -11.083 5.519 1.00 1.66 H new ATOM 0 HZ1 LYS A 88 8.396 -10.000 5.316 1.00 2.39 H new ATOM 0 HZ2 LYS A 88 7.797 -11.341 4.463 1.00 2.39 H new ATOM 0 HZ3 LYS A 88 7.725 -9.793 3.770 1.00 2.39 H new ATOM 1211 N ASN A 89 4.454 -6.139 0.978 1.00 0.88 N ATOM 1212 CA ASN A 89 4.548 -5.108 -0.048 1.00 1.04 C ATOM 1213 C ASN A 89 5.309 -5.631 -1.266 1.00 1.07 C ATOM 1214 O ASN A 89 5.263 -5.039 -2.344 1.00 1.25 O ATOM 1215 CB ASN A 89 5.251 -3.875 0.522 1.00 1.26 C ATOM 1216 CG ASN A 89 5.247 -2.701 -0.434 1.00 1.44 C ATOM 1217 OD1 ASN A 89 4.666 -2.767 -1.517 1.00 2.15 O ATOM 1218 ND2 ASN A 89 5.900 -1.617 -0.034 1.00 1.82 N ATOM 0 H ASN A 89 4.944 -5.914 1.844 1.00 0.88 H new ATOM 0 HA ASN A 89 3.541 -4.834 -0.363 1.00 1.04 H new ATOM 0 HB2 ASN A 89 4.763 -3.582 1.452 1.00 1.26 H new ATOM 0 HB3 ASN A 89 6.281 -4.132 0.770 1.00 1.26 H new ATOM 0 HD21 ASN A 89 5.935 -0.792 -0.633 1.00 1.82 H new ATOM 0 HD22 ASN A 89 6.367 -1.609 0.873 1.00 1.82 H new ATOM 1225 N SER A 90 6.006 -6.749 -1.080 1.00 1.08 N ATOM 1226 CA SER A 90 6.778 -7.371 -2.146 1.00 1.35 C ATOM 1227 C SER A 90 5.913 -8.342 -2.944 1.00 1.64 C ATOM 1228 O SER A 90 6.193 -8.633 -4.107 1.00 1.93 O ATOM 1229 CB SER A 90 7.969 -8.116 -1.543 1.00 1.70 C ATOM 1230 OG SER A 90 8.527 -9.031 -2.471 1.00 1.89 O ATOM 0 H SER A 90 6.050 -7.245 -0.190 1.00 1.08 H new ATOM 0 HA SER A 90 7.134 -6.592 -2.821 1.00 1.35 H new ATOM 0 HB2 SER A 90 8.730 -7.400 -1.233 1.00 1.70 H new ATOM 0 HB3 SER A 90 7.651 -8.651 -0.648 1.00 1.70 H new ATOM 0 HG SER A 90 9.287 -9.492 -2.059 1.00 1.89 H new ATOM 1236 N CYS A 91 4.867 -8.845 -2.300 1.00 1.74 N ATOM 1237 CA CYS A 91 3.954 -9.792 -2.925 1.00 2.20 C ATOM 1238 C CYS A 91 2.801 -9.075 -3.619 1.00 2.35 C ATOM 1239 O CYS A 91 1.632 -9.315 -3.315 1.00 2.69 O ATOM 1240 CB CYS A 91 3.409 -10.756 -1.872 1.00 2.45 C ATOM 1241 SG CYS A 91 4.681 -11.803 -1.092 1.00 3.68 S ATOM 0 H CYS A 91 4.629 -8.610 -1.336 1.00 1.74 H new ATOM 0 HA CYS A 91 4.508 -10.350 -3.680 1.00 2.20 H new ATOM 0 HB2 CYS A 91 2.901 -10.182 -1.097 1.00 2.45 H new ATOM 0 HB3 CYS A 91 2.660 -11.398 -2.336 1.00 2.45 H new ATOM 1246 N LYS A 92 3.135 -8.195 -4.554 1.00 2.26 N ATOM 1247 CA LYS A 92 2.122 -7.446 -5.291 1.00 2.62 C ATOM 1248 C LYS A 92 2.472 -7.357 -6.771 1.00 2.84 C ATOM 1249 O LYS A 92 1.626 -7.585 -7.636 1.00 3.39 O ATOM 1250 CB LYS A 92 1.962 -6.042 -4.706 1.00 2.58 C ATOM 1251 CG LYS A 92 3.271 -5.410 -4.259 1.00 2.16 C ATOM 1252 CD LYS A 92 3.492 -4.056 -4.913 1.00 2.12 C ATOM 1253 CE LYS A 92 3.059 -2.920 -4.000 1.00 2.15 C ATOM 1254 NZ LYS A 92 2.190 -1.940 -4.706 1.00 2.97 N ATOM 0 H LYS A 92 4.096 -7.982 -4.820 1.00 2.26 H new ATOM 0 HA LYS A 92 1.177 -7.980 -5.194 1.00 2.62 H new ATOM 0 HB2 LYS A 92 1.495 -5.399 -5.452 1.00 2.58 H new ATOM 0 HB3 LYS A 92 1.283 -6.088 -3.855 1.00 2.58 H new ATOM 0 HG2 LYS A 92 3.268 -5.295 -3.175 1.00 2.16 H new ATOM 0 HG3 LYS A 92 4.099 -6.074 -4.507 1.00 2.16 H new ATOM 0 HD2 LYS A 92 4.546 -3.940 -5.165 1.00 2.12 H new ATOM 0 HD3 LYS A 92 2.933 -4.006 -5.848 1.00 2.12 H new ATOM 0 HE2 LYS A 92 2.524 -3.328 -3.142 1.00 2.15 H new ATOM 0 HE3 LYS A 92 3.941 -2.410 -3.612 1.00 2.15 H new ATOM 0 HZ1 LYS A 92 1.917 -1.182 -4.049 1.00 2.97 H new ATOM 0 HZ2 LYS A 92 2.709 -1.532 -5.509 1.00 2.97 H new ATOM 0 HZ3 LYS A 92 1.336 -2.421 -5.054 1.00 2.97 H new ATOM 1268 N GLN A 93 3.724 -7.026 -7.055 1.00 2.53 N ATOM 1269 CA GLN A 93 4.191 -6.905 -8.431 1.00 2.79 C ATOM 1270 C GLN A 93 5.702 -7.093 -8.507 1.00 2.66 C ATOM 1271 O GLN A 93 6.456 -6.425 -7.801 1.00 2.84 O ATOM 1272 CB GLN A 93 3.806 -5.541 -9.005 1.00 2.90 C ATOM 1273 CG GLN A 93 2.306 -5.303 -9.059 1.00 3.42 C ATOM 1274 CD GLN A 93 1.929 -4.169 -9.992 1.00 4.01 C ATOM 1275 OE1 GLN A 93 2.697 -3.799 -10.881 1.00 4.39 O ATOM 1276 NE2 GLN A 93 0.741 -3.610 -9.795 1.00 4.51 N ATOM 0 H GLN A 93 4.436 -6.836 -6.350 1.00 2.53 H new ATOM 0 HA GLN A 93 3.713 -7.687 -9.022 1.00 2.79 H new ATOM 0 HB2 GLN A 93 4.268 -4.759 -8.402 1.00 2.90 H new ATOM 0 HB3 GLN A 93 4.216 -5.451 -10.011 1.00 2.90 H new ATOM 0 HG2 GLN A 93 1.808 -6.217 -9.384 1.00 3.42 H new ATOM 0 HG3 GLN A 93 1.941 -5.080 -8.056 1.00 3.42 H new ATOM 0 HE21 GLN A 93 0.136 -3.948 -9.046 1.00 4.51 H new ATOM 0 HE22 GLN A 93 0.433 -2.843 -10.392 1.00 4.51 H new ATOM 1285 N GLN A 94 6.138 -8.006 -9.368 1.00 2.83 N ATOM 1286 CA GLN A 94 7.563 -8.276 -9.530 1.00 3.05 C ATOM 1287 C GLN A 94 8.273 -7.093 -10.180 1.00 2.96 C ATOM 1288 O GLN A 94 9.227 -6.550 -9.622 1.00 2.91 O ATOM 1289 CB GLN A 94 7.800 -9.552 -10.350 1.00 3.66 C ATOM 1290 CG GLN A 94 6.696 -10.591 -10.219 1.00 4.23 C ATOM 1291 CD GLN A 94 7.100 -11.943 -10.775 1.00 4.77 C ATOM 1292 OE1 GLN A 94 7.509 -12.835 -10.032 1.00 5.29 O ATOM 1293 NE2 GLN A 94 6.987 -12.100 -12.089 1.00 5.08 N ATOM 0 H GLN A 94 5.529 -8.569 -9.962 1.00 2.83 H new ATOM 0 HA GLN A 94 7.981 -8.428 -8.535 1.00 3.05 H new ATOM 0 HB2 GLN A 94 7.906 -9.281 -11.400 1.00 3.66 H new ATOM 0 HB3 GLN A 94 8.744 -10.000 -10.040 1.00 3.66 H new ATOM 0 HG2 GLN A 94 6.427 -10.700 -9.168 1.00 4.23 H new ATOM 0 HG3 GLN A 94 5.806 -10.239 -10.741 1.00 4.23 H new ATOM 0 HE21 GLN A 94 6.643 -11.333 -12.667 1.00 5.08 H new ATOM 0 HE22 GLN A 94 7.244 -12.988 -12.521 1.00 5.08 H new ATOM 1302 N PRO A 95 7.817 -6.674 -11.368 1.00 3.46 N ATOM 1303 CA PRO A 95 8.412 -5.543 -12.096 1.00 3.86 C ATOM 1304 C PRO A 95 8.152 -4.199 -11.415 1.00 3.41 C ATOM 1305 O PRO A 95 7.614 -3.278 -12.031 1.00 3.91 O ATOM 1306 CB PRO A 95 7.698 -5.594 -13.447 1.00 4.79 C ATOM 1307 CG PRO A 95 6.386 -6.220 -13.132 1.00 4.81 C ATOM 1308 CD PRO A 95 6.684 -7.263 -12.106 1.00 4.14 C ATOM 0 HA PRO A 95 9.497 -5.623 -12.155 1.00 3.86 H new ATOM 0 HB2 PRO A 95 7.574 -4.598 -13.872 1.00 4.79 H new ATOM 0 HB3 PRO A 95 8.258 -6.183 -14.173 1.00 4.79 H new ATOM 0 HG2 PRO A 95 5.680 -5.483 -12.750 1.00 4.81 H new ATOM 0 HG3 PRO A 95 5.937 -6.661 -14.022 1.00 4.81 H new ATOM 0 HD2 PRO A 95 5.829 -7.448 -11.456 1.00 4.14 H new ATOM 0 HD3 PRO A 95 6.949 -8.217 -12.563 1.00 4.14 H new ATOM 1316 N GLN A 96 8.533 -4.085 -10.146 1.00 2.75 N ATOM 1317 CA GLN A 96 8.334 -2.847 -9.403 1.00 2.71 C ATOM 1318 C GLN A 96 9.166 -1.715 -9.996 1.00 3.42 C ATOM 1319 O GLN A 96 10.329 -1.535 -9.639 1.00 4.06 O ATOM 1320 CB GLN A 96 8.702 -3.045 -7.933 1.00 2.54 C ATOM 1321 CG GLN A 96 10.017 -3.781 -7.729 1.00 3.29 C ATOM 1322 CD GLN A 96 10.964 -3.041 -6.804 1.00 3.90 C ATOM 1323 OE1 GLN A 96 11.131 -3.411 -5.642 1.00 4.24 O ATOM 1324 NE2 GLN A 96 11.591 -1.989 -7.317 1.00 4.58 N ATOM 0 H GLN A 96 8.979 -4.832 -9.614 1.00 2.75 H new ATOM 0 HA GLN A 96 7.280 -2.577 -9.475 1.00 2.71 H new ATOM 0 HB2 GLN A 96 8.761 -2.071 -7.447 1.00 2.54 H new ATOM 0 HB3 GLN A 96 7.904 -3.600 -7.439 1.00 2.54 H new ATOM 0 HG2 GLN A 96 9.815 -4.771 -7.320 1.00 3.29 H new ATOM 0 HG3 GLN A 96 10.500 -3.928 -8.695 1.00 3.29 H new ATOM 0 HE21 GLN A 96 11.423 -1.717 -8.286 1.00 4.58 H new ATOM 0 HE22 GLN A 96 12.241 -1.452 -6.742 1.00 4.58 H new ATOM 1333 N ASN A 97 8.560 -0.955 -10.904 1.00 3.79 N ATOM 1334 CA ASN A 97 9.235 0.167 -11.556 1.00 4.75 C ATOM 1335 C ASN A 97 10.293 -0.318 -12.552 1.00 5.01 C ATOM 1336 O ASN A 97 10.266 0.057 -13.725 1.00 5.19 O ATOM 1337 CB ASN A 97 9.842 1.119 -10.505 1.00 5.43 C ATOM 1338 CG ASN A 97 11.335 0.927 -10.285 1.00 6.26 C ATOM 1339 OD1 ASN A 97 11.761 0.404 -9.255 1.00 6.60 O ATOM 1340 ND2 ASN A 97 12.137 1.359 -11.252 1.00 6.90 N ATOM 0 H ASN A 97 7.596 -1.096 -11.208 1.00 3.79 H new ATOM 0 HA ASN A 97 8.491 0.724 -12.126 1.00 4.75 H new ATOM 0 HB2 ASN A 97 9.660 2.148 -10.814 1.00 5.43 H new ATOM 0 HB3 ASN A 97 9.324 0.975 -9.557 1.00 5.43 H new ATOM 0 HD21 ASN A 97 13.148 1.263 -11.157 1.00 6.90 H new ATOM 0 HD22 ASN A 97 11.742 1.787 -12.089 1.00 6.90 H new ATOM 1347 N ASN A 98 11.221 -1.150 -12.085 1.00 5.44 N ATOM 1348 CA ASN A 98 12.278 -1.676 -12.943 1.00 6.11 C ATOM 1349 C ASN A 98 11.693 -2.389 -14.158 1.00 6.61 C ATOM 1350 O ASN A 98 11.202 -3.513 -14.054 1.00 6.77 O ATOM 1351 CB ASN A 98 13.172 -2.636 -12.156 1.00 6.66 C ATOM 1352 CG ASN A 98 14.184 -1.908 -11.293 1.00 7.12 C ATOM 1353 OD1 ASN A 98 14.354 -0.694 -11.405 1.00 7.41 O ATOM 1354 ND2 ASN A 98 14.864 -2.649 -10.425 1.00 7.55 N ATOM 0 H ASN A 98 11.262 -1.474 -11.119 1.00 5.44 H new ATOM 0 HA ASN A 98 12.877 -0.835 -13.293 1.00 6.11 H new ATOM 0 HB2 ASN A 98 12.551 -3.272 -11.525 1.00 6.66 H new ATOM 0 HB3 ASN A 98 13.696 -3.292 -12.851 1.00 6.66 H new ATOM 0 HD21 ASN A 98 15.559 -2.214 -9.818 1.00 7.55 H new ATOM 0 HD22 ASN A 98 14.691 -3.652 -10.366 1.00 7.55 H new ATOM 1361 N ASN A 99 11.750 -1.727 -15.310 1.00 7.19 N ATOM 1362 CA ASN A 99 11.226 -2.297 -16.545 1.00 8.00 C ATOM 1363 C ASN A 99 12.358 -2.813 -17.429 1.00 8.81 C ATOM 1364 O ASN A 99 13.078 -2.032 -18.051 1.00 9.12 O ATOM 1365 CB ASN A 99 10.406 -1.253 -17.306 1.00 8.39 C ATOM 1366 CG ASN A 99 9.410 -0.539 -16.414 1.00 8.56 C ATOM 1367 OD1 ASN A 99 8.427 -1.128 -15.964 1.00 8.86 O ATOM 1368 ND2 ASN A 99 9.659 0.739 -16.153 1.00 8.67 N ATOM 0 H ASN A 99 12.154 -0.796 -15.413 1.00 7.19 H new ATOM 0 HA ASN A 99 10.581 -3.136 -16.283 1.00 8.00 H new ATOM 0 HB2 ASN A 99 11.079 -0.521 -17.753 1.00 8.39 H new ATOM 0 HB3 ASN A 99 9.874 -1.738 -18.124 1.00 8.39 H new ATOM 0 HD21 ASN A 99 9.024 1.271 -15.559 1.00 8.67 H new ATOM 0 HD22 ASN A 99 10.486 1.188 -16.547 1.00 8.67 H new ATOM 1375 N GLN A 100 12.508 -4.132 -17.479 1.00 9.37 N ATOM 1376 CA GLN A 100 13.552 -4.752 -18.286 1.00 10.32 C ATOM 1377 C GLN A 100 13.384 -4.397 -19.760 1.00 10.87 C ATOM 1378 O GLN A 100 14.014 -3.414 -20.206 1.00 11.32 O ATOM 1379 CB GLN A 100 13.527 -6.272 -18.110 1.00 10.80 C ATOM 1380 CG GLN A 100 14.377 -6.764 -16.951 1.00 11.53 C ATOM 1381 CD GLN A 100 13.727 -6.513 -15.604 1.00 12.10 C ATOM 1382 OE1 GLN A 100 14.325 -5.902 -14.718 1.00 12.31 O ATOM 1383 NE2 GLN A 100 12.496 -6.984 -15.444 1.00 12.56 N ATOM 1384 OXT GLN A 100 12.625 -5.103 -20.455 1.00 11.02 O ATOM 0 H GLN A 100 11.920 -4.792 -16.970 1.00 9.37 H new ATOM 0 HA GLN A 100 14.514 -4.369 -17.946 1.00 10.32 H new ATOM 0 HB2 GLN A 100 12.497 -6.595 -17.957 1.00 10.80 H new ATOM 0 HB3 GLN A 100 13.875 -6.742 -19.030 1.00 10.80 H new ATOM 0 HG2 GLN A 100 14.561 -7.832 -17.068 1.00 11.53 H new ATOM 0 HG3 GLN A 100 15.347 -6.268 -16.980 1.00 11.53 H new ATOM 0 HE21 GLN A 100 12.039 -7.485 -16.206 1.00 12.56 H new ATOM 0 HE22 GLN A 100 12.008 -6.845 -14.559 1.00 12.56 H new TER 1393 GLN A 100