USER MOD reduce.3.24.130724 H: found=0, std=0, add=735, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 733 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 21 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 39 LYS NZ :NH3+ -132:sc= 1.23 (180deg=0.612) USER MOD Single : A 23 LYS NZ :NH3+ -147:sc= 0.524 (180deg=-2.26!) USER MOD Single : A 25 LYS NZ :NH3+ 149:sc= 1.19 (180deg=0.479) USER MOD Single : A 29 GLN : amide:sc= 0.246 X(o=0.25,f=-0.17) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 32 SER OG : rot -124:sc= 1.28 USER MOD Single : A 35 HIS : no HD1:sc= -0.591 X(o=-0.59,f=-0.52) USER MOD Single : A 37 LYS NZ :NH3+ 165:sc= 1.24 (180deg=1.06) USER MOD Single : A 40 MET CE :methyl -159:sc= -0.339 (180deg=-1.3!) USER MOD Single : A 41 THR OG1 : rot -25:sc= 0.556 USER MOD Single : A 42 THR OG1 : rot -96:sc= 1.32 USER MOD Single : A 43 HIS : no HE2:sc= 0.55 K(o=0.55,f=-2!) USER MOD Single : A 45 LYS NZ :NH3+ -150:sc= 1.07 (180deg=0.315) USER MOD Single : A 46 LYS NZ :NH3+ -145:sc= 1.29 (180deg=1.13) USER MOD Single : A 48 LYS NZ :NH3+ 166:sc= 2.43 (180deg=2.18) USER MOD Single : A 50 SER OG : rot 97:sc= 1.3 USER MOD Single : A 51 TYR OH : rot 180:sc= -0.215 USER MOD Single : A 52 CYS SG : rot 71:sc= 1.2 USER MOD Single : A 53 GLN : amide:sc= -1.75! C(o=-1.8!,f=-4.6!) USER MOD Single : A 55 GLN : amide:sc= -0.109 X(o=-0.11,f=-0.3) USER MOD Single : A 59 MET CE :methyl 154:sc=-0.00343 (180deg=-0.549) USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 61 SER OG : rot -106:sc= 1.23 USER MOD Single : A 69 GLN : amide:sc= -0.218 K(o=-0.22,f=-0.88) USER MOD Single : A 74 ASN : amide:sc= 0.0422 K(o=0.042,f=-3.2!) USER MOD Single : A 75 HIS : no HD1:sc= -1.43 X(o=-1.4,f=-1.4) USER MOD Single : A 76 THR OG1 : rot -53:sc= 1.09 USER MOD Single : A 78 LYS NZ :NH3+ -155:sc= 0.718 (180deg=0.334) USER MOD Single : A 82 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 91 TYR OH : rot -172:sc= 1.26 USER MOD Single : A 92 GLN : amide:sc= -0.382 X(o=-0.38,f=0) USER MOD Single : A 94 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 95 THR OG1 : rot 180:sc= 0.151 USER MOD Single : B 1 LYS N :NH3+ -166:sc= -0.128 (180deg=-0.394) USER MOD Single : B 1 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 8 THR OG1 : rot 41:sc= 0.678 USER MOD Single : B 11 SER OG : rot 68:sc= 1.27 USER MOD Single : B 12 SER OG : rot 180:sc= 0.182 USER MOD Single : B 13 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N TYR A 21 1.320 -7.888 7.331 1.00 2.10 N ATOM 2 CA TYR A 21 1.671 -7.972 5.895 1.00 1.86 C ATOM 3 C TYR A 21 3.107 -7.516 5.696 1.00 1.78 C ATOM 4 O TYR A 21 3.644 -6.787 6.525 1.00 1.85 O ATOM 5 CB TYR A 21 0.715 -7.117 5.052 1.00 1.79 C ATOM 6 CG TYR A 21 -0.742 -7.511 5.196 1.00 1.93 C ATOM 7 CD1 TYR A 21 -1.101 -8.834 5.418 1.00 2.26 C ATOM 8 CD2 TYR A 21 -1.752 -6.559 5.128 1.00 2.36 C ATOM 9 CE1 TYR A 21 -2.422 -9.198 5.564 1.00 2.53 C ATOM 10 CE2 TYR A 21 -3.078 -6.918 5.280 1.00 2.52 C ATOM 11 CZ TYR A 21 -3.406 -8.239 5.498 1.00 2.41 C ATOM 12 OH TYR A 21 -4.722 -8.604 5.660 1.00 2.72 O ATOM 0 HA TYR A 21 1.575 -9.007 5.567 1.00 1.86 H new ATOM 0 HB2 TYR A 21 0.829 -6.071 5.337 1.00 1.79 H new ATOM 0 HB3 TYR A 21 1.001 -7.194 4.003 1.00 1.79 H new ATOM 0 HD1 TYR A 21 -0.332 -9.590 5.477 1.00 2.26 H new ATOM 0 HD2 TYR A 21 -1.497 -5.524 4.954 1.00 2.36 H new ATOM 0 HE1 TYR A 21 -2.684 -10.233 5.730 1.00 2.53 H new ATOM 0 HE2 TYR A 21 -3.853 -6.168 5.228 1.00 2.52 H new ATOM 0 HH TYR A 21 -5.293 -7.811 5.587 1.00 2.72 H new ATOM 22 N ILE A 22 3.720 -7.936 4.600 1.00 1.66 N ATOM 23 CA ILE A 22 5.101 -7.575 4.320 1.00 1.60 C ATOM 24 C ILE A 22 5.202 -6.114 3.899 1.00 1.48 C ATOM 25 O ILE A 22 4.584 -5.696 2.918 1.00 1.43 O ATOM 26 CB ILE A 22 5.702 -8.468 3.212 1.00 1.60 C ATOM 27 CG1 ILE A 22 5.554 -9.952 3.575 1.00 1.81 C ATOM 28 CG2 ILE A 22 7.167 -8.123 2.975 1.00 1.58 C ATOM 29 CD1 ILE A 22 6.283 -10.356 4.841 1.00 1.99 C ATOM 0 H ILE A 22 3.284 -8.526 3.891 1.00 1.66 H new ATOM 0 HA ILE A 22 5.668 -7.727 5.239 1.00 1.60 H new ATOM 0 HB ILE A 22 5.152 -8.280 2.290 1.00 1.60 H new ATOM 0 HG12 ILE A 22 4.495 -10.183 3.689 1.00 1.81 H new ATOM 0 HG13 ILE A 22 5.925 -10.556 2.747 1.00 1.81 H new ATOM 0 HG21 ILE A 22 7.570 -8.764 2.191 1.00 1.58 H new ATOM 0 HG22 ILE A 22 7.250 -7.080 2.669 1.00 1.58 H new ATOM 0 HG23 ILE A 22 7.731 -8.278 3.895 1.00 1.58 H new ATOM 0 HD11 ILE A 22 6.128 -11.419 5.027 1.00 1.99 H new ATOM 0 HD12 ILE A 22 7.349 -10.159 4.726 1.00 1.99 H new ATOM 0 HD13 ILE A 22 5.897 -9.781 5.682 1.00 1.99 H new ATOM 41 N LYS A 23 5.946 -5.335 4.667 1.00 1.47 N ATOM 42 CA LYS A 23 6.133 -3.929 4.360 1.00 1.39 C ATOM 43 C LYS A 23 7.445 -3.710 3.627 1.00 1.34 C ATOM 44 O LYS A 23 8.510 -4.088 4.115 1.00 1.48 O ATOM 45 CB LYS A 23 6.109 -3.077 5.628 1.00 1.51 C ATOM 46 CG LYS A 23 4.736 -2.513 5.962 1.00 1.98 C ATOM 47 CD LYS A 23 3.881 -3.516 6.718 1.00 2.61 C ATOM 48 CE LYS A 23 4.147 -3.466 8.215 1.00 3.07 C ATOM 49 NZ LYS A 23 5.492 -3.991 8.572 1.00 2.83 N ATOM 0 H LYS A 23 6.429 -5.653 5.507 1.00 1.47 H new ATOM 0 HA LYS A 23 5.307 -3.622 3.718 1.00 1.39 H new ATOM 0 HB2 LYS A 23 6.458 -3.680 6.466 1.00 1.51 H new ATOM 0 HB3 LYS A 23 6.813 -2.252 5.514 1.00 1.51 H new ATOM 0 HG2 LYS A 23 4.850 -1.609 6.561 1.00 1.98 H new ATOM 0 HG3 LYS A 23 4.228 -2.224 5.042 1.00 1.98 H new ATOM 0 HD2 LYS A 23 2.827 -3.312 6.529 1.00 2.61 H new ATOM 0 HD3 LYS A 23 4.083 -4.520 6.346 1.00 2.61 H new ATOM 0 HE2 LYS A 23 4.058 -2.437 8.562 1.00 3.07 H new ATOM 0 HE3 LYS A 23 3.384 -4.045 8.736 1.00 3.07 H new ATOM 0 HZ1 LYS A 23 5.448 -4.454 9.502 1.00 2.83 H new ATOM 0 HZ2 LYS A 23 5.797 -4.681 7.856 1.00 2.83 H new ATOM 0 HZ3 LYS A 23 6.173 -3.206 8.608 1.00 2.83 H new ATOM 63 N LEU A 24 7.356 -3.113 2.451 1.00 1.21 N ATOM 64 CA LEU A 24 8.536 -2.821 1.654 1.00 1.21 C ATOM 65 C LEU A 24 8.766 -1.316 1.618 1.00 1.21 C ATOM 66 O LEU A 24 7.913 -0.565 1.152 1.00 1.15 O ATOM 67 CB LEU A 24 8.373 -3.357 0.228 1.00 1.15 C ATOM 68 CG LEU A 24 8.076 -4.855 0.116 1.00 1.18 C ATOM 69 CD1 LEU A 24 7.804 -5.237 -1.331 1.00 1.15 C ATOM 70 CD2 LEU A 24 9.235 -5.671 0.671 1.00 1.36 C ATOM 0 H LEU A 24 6.476 -2.820 2.026 1.00 1.21 H new ATOM 0 HA LEU A 24 9.396 -3.312 2.109 1.00 1.21 H new ATOM 0 HB2 LEU A 24 7.567 -2.807 -0.258 1.00 1.15 H new ATOM 0 HB3 LEU A 24 9.286 -3.143 -0.328 1.00 1.15 H new ATOM 0 HG LEU A 24 7.185 -5.074 0.705 1.00 1.18 H new ATOM 0 HD11 LEU A 24 7.595 -6.305 -1.392 1.00 1.15 H new ATOM 0 HD12 LEU A 24 6.944 -4.677 -1.700 1.00 1.15 H new ATOM 0 HD13 LEU A 24 8.678 -5.003 -1.939 1.00 1.15 H new ATOM 0 HD21 LEU A 24 9.007 -6.733 0.583 1.00 1.36 H new ATOM 0 HD22 LEU A 24 10.141 -5.447 0.107 1.00 1.36 H new ATOM 0 HD23 LEU A 24 9.389 -5.418 1.720 1.00 1.36 H new ATOM 82 N LYS A 25 9.897 -0.874 2.135 1.00 1.36 N ATOM 83 CA LYS A 25 10.211 0.546 2.145 1.00 1.42 C ATOM 84 C LYS A 25 10.753 0.985 0.792 1.00 1.43 C ATOM 85 O LYS A 25 11.863 0.621 0.408 1.00 1.55 O ATOM 86 CB LYS A 25 11.212 0.870 3.248 1.00 1.62 C ATOM 87 CG LYS A 25 10.606 0.838 4.644 1.00 1.51 C ATOM 88 CD LYS A 25 11.591 1.315 5.698 1.00 1.67 C ATOM 89 CE LYS A 25 12.038 2.743 5.438 1.00 2.04 C ATOM 90 NZ LYS A 25 12.722 3.340 6.615 1.00 2.70 N ATOM 0 H LYS A 25 10.611 -1.472 2.552 1.00 1.36 H new ATOM 0 HA LYS A 25 9.291 1.095 2.344 1.00 1.42 H new ATOM 0 HB2 LYS A 25 12.036 0.158 3.201 1.00 1.62 H new ATOM 0 HB3 LYS A 25 11.634 1.858 3.066 1.00 1.62 H new ATOM 0 HG2 LYS A 25 9.715 1.466 4.668 1.00 1.51 H new ATOM 0 HG3 LYS A 25 10.286 -0.177 4.878 1.00 1.51 H new ATOM 0 HD2 LYS A 25 11.130 1.251 6.684 1.00 1.67 H new ATOM 0 HD3 LYS A 25 12.460 0.657 5.709 1.00 1.67 H new ATOM 0 HE2 LYS A 25 12.711 2.761 4.581 1.00 2.04 H new ATOM 0 HE3 LYS A 25 11.172 3.351 5.176 1.00 2.04 H new ATOM 0 HZ1 LYS A 25 13.435 4.025 6.292 1.00 2.70 H new ATOM 0 HZ2 LYS A 25 12.023 3.824 7.214 1.00 2.70 H new ATOM 0 HZ3 LYS A 25 13.188 2.589 7.164 1.00 2.70 H new ATOM 104 N VAL A 26 9.950 1.753 0.073 1.00 1.35 N ATOM 105 CA VAL A 26 10.336 2.253 -1.234 1.00 1.41 C ATOM 106 C VAL A 26 11.226 3.473 -1.081 1.00 1.60 C ATOM 107 O VAL A 26 10.794 4.506 -0.563 1.00 1.62 O ATOM 108 CB VAL A 26 9.113 2.633 -2.091 1.00 1.32 C ATOM 109 CG1 VAL A 26 9.514 2.803 -3.545 1.00 1.46 C ATOM 110 CG2 VAL A 26 8.008 1.598 -1.953 1.00 1.13 C ATOM 0 H VAL A 26 9.021 2.044 0.376 1.00 1.35 H new ATOM 0 HA VAL A 26 10.874 1.451 -1.740 1.00 1.41 H new ATOM 0 HB VAL A 26 8.726 3.585 -1.728 1.00 1.32 H new ATOM 0 HG11 VAL A 26 8.638 3.071 -4.135 1.00 1.46 H new ATOM 0 HG12 VAL A 26 10.262 3.592 -3.626 1.00 1.46 H new ATOM 0 HG13 VAL A 26 9.931 1.868 -3.919 1.00 1.46 H new ATOM 0 HG21 VAL A 26 7.157 1.890 -2.568 1.00 1.13 H new ATOM 0 HG22 VAL A 26 8.376 0.626 -2.282 1.00 1.13 H new ATOM 0 HG23 VAL A 26 7.697 1.534 -0.910 1.00 1.13 H new ATOM 120 N ILE A 27 12.467 3.344 -1.517 1.00 1.78 N ATOM 121 CA ILE A 27 13.430 4.429 -1.423 1.00 1.99 C ATOM 122 C ILE A 27 13.697 5.034 -2.798 1.00 2.13 C ATOM 123 O ILE A 27 14.017 4.323 -3.752 1.00 2.21 O ATOM 124 CB ILE A 27 14.762 3.944 -0.808 1.00 2.15 C ATOM 125 CG1 ILE A 27 14.515 3.258 0.542 1.00 2.07 C ATOM 126 CG2 ILE A 27 15.740 5.104 -0.647 1.00 2.39 C ATOM 127 CD1 ILE A 27 13.834 4.141 1.568 1.00 2.07 C ATOM 0 H ILE A 27 12.834 2.493 -1.943 1.00 1.78 H new ATOM 0 HA ILE A 27 13.000 5.190 -0.772 1.00 1.99 H new ATOM 0 HB ILE A 27 15.205 3.217 -1.489 1.00 2.15 H new ATOM 0 HG12 ILE A 27 13.904 2.370 0.380 1.00 2.07 H new ATOM 0 HG13 ILE A 27 15.469 2.919 0.946 1.00 2.07 H new ATOM 0 HG21 ILE A 27 16.670 4.738 -0.212 1.00 2.39 H new ATOM 0 HG22 ILE A 27 15.944 5.546 -1.622 1.00 2.39 H new ATOM 0 HG23 ILE A 27 15.305 5.858 0.009 1.00 2.39 H new ATOM 0 HD11 ILE A 27 13.695 3.583 2.494 1.00 2.07 H new ATOM 0 HD12 ILE A 27 14.453 5.017 1.762 1.00 2.07 H new ATOM 0 HD13 ILE A 27 12.863 4.459 1.187 1.00 2.07 H new ATOM 139 N GLY A 28 13.548 6.347 -2.893 1.00 2.21 N ATOM 140 CA GLY A 28 13.784 7.031 -4.147 1.00 2.40 C ATOM 141 C GLY A 28 15.124 7.739 -4.160 1.00 2.63 C ATOM 142 O GLY A 28 15.791 7.828 -3.128 1.00 2.64 O ATOM 0 H GLY A 28 13.267 6.952 -2.122 1.00 2.21 H new ATOM 0 HA2 GLY A 28 13.745 6.312 -4.966 1.00 2.40 H new ATOM 0 HA3 GLY A 28 12.989 7.756 -4.321 1.00 2.40 H new ATOM 146 N GLN A 29 15.511 8.266 -5.316 1.00 2.84 N ATOM 147 CA GLN A 29 16.782 8.969 -5.453 1.00 3.07 C ATOM 148 C GLN A 29 16.802 10.241 -4.605 1.00 3.11 C ATOM 149 O GLN A 29 17.865 10.742 -4.231 1.00 3.26 O ATOM 150 CB GLN A 29 17.040 9.311 -6.923 1.00 3.28 C ATOM 151 CG GLN A 29 18.431 9.870 -7.193 1.00 3.53 C ATOM 152 CD GLN A 29 19.540 8.969 -6.682 1.00 3.59 C ATOM 153 OE1 GLN A 29 20.019 8.086 -7.391 1.00 3.73 O ATOM 154 NE2 GLN A 29 19.951 9.186 -5.444 1.00 3.52 N ATOM 0 H GLN A 29 14.962 8.220 -6.174 1.00 2.84 H new ATOM 0 HA GLN A 29 17.574 8.311 -5.095 1.00 3.07 H new ATOM 0 HB2 GLN A 29 16.897 8.414 -7.525 1.00 3.28 H new ATOM 0 HB3 GLN A 29 16.297 10.038 -7.252 1.00 3.28 H new ATOM 0 HG2 GLN A 29 18.555 10.018 -8.266 1.00 3.53 H new ATOM 0 HG3 GLN A 29 18.521 10.850 -6.724 1.00 3.53 H new ATOM 0 HE21 GLN A 29 19.527 9.929 -4.889 1.00 3.52 H new ATOM 0 HE22 GLN A 29 20.692 8.610 -5.044 1.00 3.52 H new ATOM 163 N ASP A 30 15.622 10.756 -4.295 1.00 3.01 N ATOM 164 CA ASP A 30 15.499 11.962 -3.486 1.00 3.07 C ATOM 165 C ASP A 30 15.498 11.614 -1.996 1.00 2.98 C ATOM 166 O ASP A 30 15.127 12.435 -1.157 1.00 3.01 O ATOM 167 CB ASP A 30 14.223 12.734 -3.854 1.00 3.06 C ATOM 168 CG ASP A 30 12.953 12.051 -3.381 1.00 2.89 C ATOM 169 OD1 ASP A 30 12.535 11.059 -4.018 1.00 2.77 O ATOM 170 OD2 ASP A 30 12.371 12.496 -2.366 1.00 2.90 O ATOM 0 H ASP A 30 14.732 10.357 -4.592 1.00 3.01 H new ATOM 0 HA ASP A 30 16.360 12.598 -3.692 1.00 3.07 H new ATOM 0 HB2 ASP A 30 14.273 13.733 -3.421 1.00 3.06 H new ATOM 0 HB3 ASP A 30 14.180 12.857 -4.936 1.00 3.06 H new ATOM 175 N SER A 31 15.929 10.388 -1.681 1.00 2.89 N ATOM 176 CA SER A 31 15.996 9.902 -0.303 1.00 2.82 C ATOM 177 C SER A 31 14.609 9.870 0.335 1.00 2.62 C ATOM 178 O SER A 31 14.447 10.155 1.524 1.00 2.65 O ATOM 179 CB SER A 31 16.949 10.768 0.529 1.00 3.05 C ATOM 180 OG SER A 31 18.228 10.865 -0.084 1.00 3.25 O ATOM 0 H SER A 31 16.240 9.708 -2.374 1.00 2.89 H new ATOM 0 HA SER A 31 16.383 8.883 -0.324 1.00 2.82 H new ATOM 0 HB2 SER A 31 16.525 11.765 0.651 1.00 3.05 H new ATOM 0 HB3 SER A 31 17.053 10.342 1.527 1.00 3.05 H new ATOM 0 HG SER A 31 18.814 11.424 0.468 1.00 3.25 H new ATOM 186 N SER A 32 13.615 9.517 -0.463 1.00 2.47 N ATOM 187 CA SER A 32 12.245 9.445 0.010 1.00 2.32 C ATOM 188 C SER A 32 11.957 8.084 0.626 1.00 2.11 C ATOM 189 O SER A 32 12.581 7.086 0.258 1.00 2.13 O ATOM 190 CB SER A 32 11.290 9.704 -1.154 1.00 2.33 C ATOM 191 OG SER A 32 11.822 9.183 -2.363 1.00 2.38 O ATOM 0 H SER A 32 13.734 9.275 -1.447 1.00 2.47 H new ATOM 0 HA SER A 32 12.099 10.205 0.778 1.00 2.32 H new ATOM 0 HB2 SER A 32 10.324 9.244 -0.948 1.00 2.33 H new ATOM 0 HB3 SER A 32 11.117 10.775 -1.258 1.00 2.33 H new ATOM 0 HG SER A 32 11.866 9.895 -3.035 1.00 2.38 H new ATOM 197 N GLU A 33 11.022 8.051 1.564 1.00 2.01 N ATOM 198 CA GLU A 33 10.646 6.813 2.225 1.00 1.87 C ATOM 199 C GLU A 33 9.145 6.593 2.120 1.00 1.79 C ATOM 200 O GLU A 33 8.359 7.384 2.639 1.00 2.00 O ATOM 201 CB GLU A 33 11.056 6.834 3.700 1.00 1.98 C ATOM 202 CG GLU A 33 12.550 6.975 3.927 1.00 2.57 C ATOM 203 CD GLU A 33 12.988 6.360 5.236 1.00 2.75 C ATOM 204 OE1 GLU A 33 12.548 6.835 6.303 1.00 2.98 O ATOM 205 OE2 GLU A 33 13.762 5.384 5.211 1.00 2.99 O ATOM 0 H GLU A 33 10.509 8.872 1.885 1.00 2.01 H new ATOM 0 HA GLU A 33 11.168 5.996 1.727 1.00 1.87 H new ATOM 0 HB2 GLU A 33 10.545 7.659 4.196 1.00 1.98 H new ATOM 0 HB3 GLU A 33 10.713 5.915 4.174 1.00 1.98 H new ATOM 0 HG2 GLU A 33 13.087 6.500 3.106 1.00 2.57 H new ATOM 0 HG3 GLU A 33 12.820 8.031 3.915 1.00 2.57 H new ATOM 212 N ILE A 34 8.753 5.538 1.426 1.00 1.58 N ATOM 213 CA ILE A 34 7.346 5.206 1.264 1.00 1.50 C ATOM 214 C ILE A 34 7.108 3.767 1.708 1.00 1.38 C ATOM 215 O ILE A 34 7.929 2.890 1.446 1.00 1.31 O ATOM 216 CB ILE A 34 6.886 5.394 -0.203 1.00 1.46 C ATOM 217 CG1 ILE A 34 7.127 6.838 -0.658 1.00 1.71 C ATOM 218 CG2 ILE A 34 5.415 5.025 -0.361 1.00 1.41 C ATOM 219 CD1 ILE A 34 6.785 7.088 -2.112 1.00 1.81 C ATOM 0 H ILE A 34 9.393 4.893 0.963 1.00 1.58 H new ATOM 0 HA ILE A 34 6.760 5.884 1.885 1.00 1.50 H new ATOM 0 HB ILE A 34 7.474 4.727 -0.833 1.00 1.46 H new ATOM 0 HG12 ILE A 34 6.535 7.509 -0.035 1.00 1.71 H new ATOM 0 HG13 ILE A 34 8.174 7.091 -0.493 1.00 1.71 H new ATOM 0 HG21 ILE A 34 5.114 5.165 -1.399 1.00 1.41 H new ATOM 0 HG22 ILE A 34 5.269 3.982 -0.078 1.00 1.41 H new ATOM 0 HG23 ILE A 34 4.809 5.664 0.281 1.00 1.41 H new ATOM 0 HD11 ILE A 34 6.982 8.131 -2.358 1.00 1.81 H new ATOM 0 HD12 ILE A 34 7.395 6.444 -2.745 1.00 1.81 H new ATOM 0 HD13 ILE A 34 5.731 6.869 -2.281 1.00 1.81 H new ATOM 231 N HIS A 35 6.004 3.527 2.400 1.00 1.41 N ATOM 232 CA HIS A 35 5.695 2.178 2.867 1.00 1.33 C ATOM 233 C HIS A 35 4.905 1.397 1.816 1.00 1.23 C ATOM 234 O HIS A 35 4.268 1.977 0.936 1.00 1.29 O ATOM 235 CB HIS A 35 4.914 2.228 4.182 1.00 1.46 C ATOM 236 CG HIS A 35 5.778 2.309 5.402 1.00 1.58 C ATOM 237 ND1 HIS A 35 5.418 2.977 6.552 1.00 1.91 N ATOM 238 CD2 HIS A 35 7.008 1.784 5.643 1.00 1.83 C ATOM 239 CE1 HIS A 35 6.415 2.843 7.437 1.00 2.04 C ATOM 240 NE2 HIS A 35 7.405 2.124 6.932 1.00 2.02 N ATOM 0 H HIS A 35 5.314 4.236 2.649 1.00 1.41 H new ATOM 0 HA HIS A 35 6.640 1.662 3.038 1.00 1.33 H new ATOM 0 HB2 HIS A 35 4.247 3.090 4.164 1.00 1.46 H new ATOM 0 HB3 HIS A 35 4.285 1.340 4.253 1.00 1.46 H new ATOM 0 HD2 HIS A 35 7.585 1.196 4.945 1.00 1.83 H new ATOM 0 HE1 HIS A 35 6.411 3.266 8.431 1.00 2.04 H new ATOM 0 HE2 HIS A 35 8.279 1.871 7.393 1.00 2.02 H new ATOM 248 N PHE A 36 4.946 0.077 1.913 1.00 1.15 N ATOM 249 CA PHE A 36 4.247 -0.780 0.965 1.00 1.06 C ATOM 250 C PHE A 36 3.628 -1.977 1.674 1.00 1.12 C ATOM 251 O PHE A 36 4.338 -2.754 2.303 1.00 1.18 O ATOM 252 CB PHE A 36 5.228 -1.288 -0.096 1.00 0.98 C ATOM 253 CG PHE A 36 4.790 -1.082 -1.518 1.00 0.94 C ATOM 254 CD1 PHE A 36 3.452 -0.947 -1.844 1.00 1.06 C ATOM 255 CD2 PHE A 36 5.733 -1.028 -2.530 1.00 1.25 C ATOM 256 CE1 PHE A 36 3.064 -0.763 -3.154 1.00 1.30 C ATOM 257 CE2 PHE A 36 5.350 -0.845 -3.842 1.00 1.53 C ATOM 258 CZ PHE A 36 4.013 -0.712 -4.153 1.00 1.49 C ATOM 0 H PHE A 36 5.456 -0.426 2.639 1.00 1.15 H new ATOM 0 HA PHE A 36 3.457 -0.194 0.496 1.00 1.06 H new ATOM 0 HB2 PHE A 36 6.186 -0.789 0.049 1.00 0.98 H new ATOM 0 HB3 PHE A 36 5.395 -2.353 0.066 1.00 0.98 H new ATOM 0 HD1 PHE A 36 2.705 -0.986 -1.065 1.00 1.06 H new ATOM 0 HD2 PHE A 36 6.781 -1.130 -2.289 1.00 1.25 H new ATOM 0 HE1 PHE A 36 2.017 -0.659 -3.398 1.00 1.30 H new ATOM 0 HE2 PHE A 36 6.095 -0.806 -4.623 1.00 1.53 H new ATOM 0 HZ PHE A 36 3.709 -0.568 -5.179 1.00 1.49 H new ATOM 268 N LYS A 37 2.312 -2.115 1.589 1.00 1.21 N ATOM 269 CA LYS A 37 1.629 -3.240 2.217 1.00 1.34 C ATOM 270 C LYS A 37 1.318 -4.314 1.185 1.00 1.28 C ATOM 271 O LYS A 37 0.319 -4.227 0.469 1.00 1.35 O ATOM 272 CB LYS A 37 0.332 -2.784 2.891 1.00 1.57 C ATOM 273 CG LYS A 37 0.339 -2.955 4.403 1.00 1.77 C ATOM 274 CD LYS A 37 -0.997 -2.568 5.024 1.00 2.07 C ATOM 275 CE LYS A 37 -1.282 -1.080 4.889 1.00 2.14 C ATOM 276 NZ LYS A 37 -2.678 -0.747 5.277 1.00 2.40 N ATOM 0 H LYS A 37 1.698 -1.467 1.095 1.00 1.21 H new ATOM 0 HA LYS A 37 2.292 -3.653 2.977 1.00 1.34 H new ATOM 0 HB2 LYS A 37 0.158 -1.735 2.653 1.00 1.57 H new ATOM 0 HB3 LYS A 37 -0.502 -3.348 2.474 1.00 1.57 H new ATOM 0 HG2 LYS A 37 0.568 -3.992 4.650 1.00 1.77 H new ATOM 0 HG3 LYS A 37 1.131 -2.342 4.834 1.00 1.77 H new ATOM 0 HD2 LYS A 37 -1.796 -3.134 4.546 1.00 2.07 H new ATOM 0 HD3 LYS A 37 -0.999 -2.843 6.079 1.00 2.07 H new ATOM 0 HE2 LYS A 37 -0.587 -0.519 5.514 1.00 2.14 H new ATOM 0 HE3 LYS A 37 -1.107 -0.768 3.859 1.00 2.14 H new ATOM 0 HZ1 LYS A 37 -2.764 0.280 5.418 1.00 2.40 H new ATOM 0 HZ2 LYS A 37 -3.329 -1.049 4.524 1.00 2.40 H new ATOM 0 HZ3 LYS A 37 -2.919 -1.239 6.161 1.00 2.40 H new ATOM 290 N VAL A 38 2.177 -5.320 1.103 1.00 1.24 N ATOM 291 CA VAL A 38 1.982 -6.402 0.148 1.00 1.25 C ATOM 292 C VAL A 38 1.703 -7.718 0.865 1.00 1.39 C ATOM 293 O VAL A 38 1.960 -7.853 2.064 1.00 1.48 O ATOM 294 CB VAL A 38 3.202 -6.568 -0.788 1.00 1.19 C ATOM 295 CG1 VAL A 38 3.542 -5.249 -1.462 1.00 1.57 C ATOM 296 CG2 VAL A 38 4.410 -7.110 -0.033 1.00 1.27 C ATOM 0 H VAL A 38 3.011 -5.410 1.683 1.00 1.24 H new ATOM 0 HA VAL A 38 1.118 -6.136 -0.461 1.00 1.25 H new ATOM 0 HB VAL A 38 2.936 -7.293 -1.557 1.00 1.19 H new ATOM 0 HG11 VAL A 38 4.403 -5.386 -2.116 1.00 1.57 H new ATOM 0 HG12 VAL A 38 2.689 -4.911 -2.050 1.00 1.57 H new ATOM 0 HG13 VAL A 38 3.778 -4.503 -0.703 1.00 1.57 H new ATOM 0 HG21 VAL A 38 5.251 -7.215 -0.719 1.00 1.27 H new ATOM 0 HG22 VAL A 38 4.679 -6.420 0.767 1.00 1.27 H new ATOM 0 HG23 VAL A 38 4.166 -8.083 0.394 1.00 1.27 H new ATOM 306 N LYS A 39 1.166 -8.680 0.132 1.00 1.43 N ATOM 307 CA LYS A 39 0.848 -9.981 0.696 1.00 1.60 C ATOM 308 C LYS A 39 1.458 -11.080 -0.161 1.00 1.60 C ATOM 309 O LYS A 39 1.474 -10.981 -1.390 1.00 1.49 O ATOM 310 CB LYS A 39 -0.668 -10.171 0.792 1.00 1.69 C ATOM 311 CG LYS A 39 -1.091 -11.273 1.749 1.00 2.00 C ATOM 312 CD LYS A 39 -2.590 -11.249 1.987 1.00 2.35 C ATOM 313 CE LYS A 39 -2.983 -12.127 3.161 1.00 2.74 C ATOM 314 NZ LYS A 39 -4.397 -11.913 3.561 1.00 3.20 N ATOM 0 H LYS A 39 0.941 -8.583 -0.858 1.00 1.43 H new ATOM 0 HA LYS A 39 1.267 -10.036 1.701 1.00 1.60 H new ATOM 0 HB2 LYS A 39 -1.122 -9.233 1.110 1.00 1.69 H new ATOM 0 HB3 LYS A 39 -1.060 -10.395 -0.200 1.00 1.69 H new ATOM 0 HG2 LYS A 39 -0.800 -12.242 1.343 1.00 2.00 H new ATOM 0 HG3 LYS A 39 -0.568 -11.155 2.698 1.00 2.00 H new ATOM 0 HD2 LYS A 39 -2.913 -10.225 2.174 1.00 2.35 H new ATOM 0 HD3 LYS A 39 -3.107 -11.588 1.089 1.00 2.35 H new ATOM 0 HE2 LYS A 39 -2.834 -13.174 2.897 1.00 2.74 H new ATOM 0 HE3 LYS A 39 -2.330 -11.916 4.008 1.00 2.74 H new ATOM 0 HZ1 LYS A 39 -4.451 -11.786 4.592 1.00 3.20 H new ATOM 0 HZ2 LYS A 39 -4.767 -11.064 3.088 1.00 3.20 H new ATOM 0 HZ3 LYS A 39 -4.965 -12.739 3.284 1.00 3.20 H new ATOM 328 N MET A 40 1.962 -12.122 0.478 1.00 1.76 N ATOM 329 CA MET A 40 2.569 -13.225 -0.247 1.00 1.82 C ATOM 330 C MET A 40 1.493 -14.130 -0.831 1.00 1.89 C ATOM 331 O MET A 40 1.107 -15.133 -0.232 1.00 2.06 O ATOM 332 CB MET A 40 3.489 -14.023 0.676 1.00 2.01 C ATOM 333 CG MET A 40 4.464 -14.926 -0.063 1.00 1.99 C ATOM 334 SD MET A 40 5.616 -15.759 1.047 1.00 2.53 S ATOM 335 CE MET A 40 6.246 -14.376 1.999 1.00 3.01 C ATOM 0 H MET A 40 1.963 -12.227 1.493 1.00 1.76 H new ATOM 0 HA MET A 40 3.163 -12.818 -1.065 1.00 1.82 H new ATOM 0 HB2 MET A 40 4.052 -13.330 1.301 1.00 2.01 H new ATOM 0 HB3 MET A 40 2.879 -14.631 1.344 1.00 2.01 H new ATOM 0 HG2 MET A 40 3.905 -15.672 -0.628 1.00 1.99 H new ATOM 0 HG3 MET A 40 5.025 -14.334 -0.786 1.00 1.99 H new ATOM 0 HE1 MET A 40 7.202 -14.648 2.447 1.00 3.01 H new ATOM 0 HE2 MET A 40 6.384 -13.516 1.344 1.00 3.01 H new ATOM 0 HE3 MET A 40 5.536 -14.122 2.786 1.00 3.01 H new ATOM 345 N THR A 41 1.012 -13.753 -2.005 1.00 1.77 N ATOM 346 CA THR A 41 -0.018 -14.500 -2.715 1.00 1.85 C ATOM 347 C THR A 41 -0.052 -14.044 -4.171 1.00 1.77 C ATOM 348 O THR A 41 -0.075 -14.855 -5.095 1.00 1.92 O ATOM 349 CB THR A 41 -1.427 -14.296 -2.092 1.00 1.99 C ATOM 350 OG1 THR A 41 -1.390 -14.473 -0.669 1.00 2.21 O ATOM 351 CG2 THR A 41 -2.431 -15.273 -2.685 1.00 2.21 C ATOM 0 H THR A 41 1.326 -12.916 -2.496 1.00 1.77 H new ATOM 0 HA THR A 41 0.231 -15.559 -2.641 1.00 1.85 H new ATOM 0 HB THR A 41 -1.737 -13.276 -2.321 1.00 1.99 H new ATOM 0 HG1 THR A 41 -0.632 -15.046 -0.430 1.00 2.21 H new ATOM 0 HG21 THR A 41 -3.409 -15.109 -2.232 1.00 2.21 H new ATOM 0 HG22 THR A 41 -2.499 -15.116 -3.762 1.00 2.21 H new ATOM 0 HG23 THR A 41 -2.106 -16.294 -2.487 1.00 2.21 H new ATOM 359 N THR A 42 -0.034 -12.731 -4.354 1.00 1.62 N ATOM 360 CA THR A 42 -0.068 -12.124 -5.673 1.00 1.60 C ATOM 361 C THR A 42 1.340 -11.923 -6.234 1.00 1.48 C ATOM 362 O THR A 42 2.298 -11.743 -5.479 1.00 1.35 O ATOM 363 CB THR A 42 -0.791 -10.768 -5.615 1.00 1.58 C ATOM 364 OG1 THR A 42 -1.137 -10.465 -4.253 1.00 1.63 O ATOM 365 CG2 THR A 42 -2.046 -10.784 -6.476 1.00 1.75 C ATOM 0 H THR A 42 0.005 -12.057 -3.589 1.00 1.62 H new ATOM 0 HA THR A 42 -0.608 -12.803 -6.333 1.00 1.60 H new ATOM 0 HB THR A 42 -0.121 -10.001 -6.002 1.00 1.58 H new ATOM 0 HG1 THR A 42 -2.065 -10.732 -4.084 1.00 1.63 H new ATOM 0 HG21 THR A 42 -2.539 -9.814 -6.418 1.00 1.75 H new ATOM 0 HG22 THR A 42 -1.775 -10.992 -7.511 1.00 1.75 H new ATOM 0 HG23 THR A 42 -2.724 -11.558 -6.116 1.00 1.75 H new ATOM 373 N HIS A 43 1.463 -11.996 -7.559 1.00 1.61 N ATOM 374 CA HIS A 43 2.747 -11.802 -8.227 1.00 1.65 C ATOM 375 C HIS A 43 3.253 -10.380 -8.005 1.00 1.48 C ATOM 376 O HIS A 43 2.461 -9.451 -7.839 1.00 1.33 O ATOM 377 CB HIS A 43 2.611 -12.056 -9.732 1.00 1.90 C ATOM 378 CG HIS A 43 2.989 -13.439 -10.155 1.00 1.95 C ATOM 379 ND1 HIS A 43 3.830 -13.715 -11.210 1.00 2.43 N ATOM 380 CD2 HIS A 43 2.618 -14.639 -9.646 1.00 2.01 C ATOM 381 CE1 HIS A 43 3.940 -15.045 -11.309 1.00 2.36 C ATOM 382 NE2 HIS A 43 3.222 -15.652 -10.381 1.00 2.09 N ATOM 0 H HIS A 43 0.686 -12.189 -8.191 1.00 1.61 H new ATOM 0 HA HIS A 43 3.459 -12.510 -7.803 1.00 1.65 H new ATOM 0 HB2 HIS A 43 1.580 -11.866 -10.030 1.00 1.90 H new ATOM 0 HB3 HIS A 43 3.235 -11.341 -10.268 1.00 1.90 H new ATOM 0 HD1 HIS A 43 4.288 -13.028 -11.809 1.00 2.43 H new ATOM 0 HD2 HIS A 43 1.958 -14.785 -8.804 1.00 2.01 H new ATOM 0 HE1 HIS A 43 4.537 -15.555 -12.050 1.00 2.36 H new ATOM 390 N LEU A 44 4.569 -10.207 -8.038 1.00 1.56 N ATOM 391 CA LEU A 44 5.163 -8.891 -7.838 1.00 1.47 C ATOM 392 C LEU A 44 4.836 -7.957 -8.998 1.00 1.45 C ATOM 393 O LEU A 44 5.056 -6.750 -8.915 1.00 1.45 O ATOM 394 CB LEU A 44 6.676 -9.003 -7.662 1.00 1.65 C ATOM 395 CG LEU A 44 7.129 -9.598 -6.327 1.00 1.77 C ATOM 396 CD1 LEU A 44 8.645 -9.667 -6.263 1.00 1.89 C ATOM 397 CD2 LEU A 44 6.582 -8.781 -5.165 1.00 1.80 C ATOM 0 H LEU A 44 5.242 -10.957 -8.200 1.00 1.56 H new ATOM 0 HA LEU A 44 4.735 -8.469 -6.929 1.00 1.47 H new ATOM 0 HB2 LEU A 44 7.076 -9.615 -8.470 1.00 1.65 H new ATOM 0 HB3 LEU A 44 7.113 -8.010 -7.767 1.00 1.65 H new ATOM 0 HG LEU A 44 6.735 -10.611 -6.250 1.00 1.77 H new ATOM 0 HD11 LEU A 44 8.950 -10.093 -5.307 1.00 1.89 H new ATOM 0 HD12 LEU A 44 9.015 -10.294 -7.074 1.00 1.89 H new ATOM 0 HD13 LEU A 44 9.059 -8.664 -6.362 1.00 1.89 H new ATOM 0 HD21 LEU A 44 6.914 -9.219 -4.224 1.00 1.80 H new ATOM 0 HD22 LEU A 44 6.947 -7.756 -5.237 1.00 1.80 H new ATOM 0 HD23 LEU A 44 5.493 -8.782 -5.201 1.00 1.80 H new ATOM 409 N LYS A 45 4.306 -8.519 -10.078 1.00 1.48 N ATOM 410 CA LYS A 45 3.926 -7.725 -11.235 1.00 1.52 C ATOM 411 C LYS A 45 2.776 -6.801 -10.857 1.00 1.41 C ATOM 412 O LYS A 45 2.653 -5.696 -11.382 1.00 1.43 O ATOM 413 CB LYS A 45 3.536 -8.625 -12.412 1.00 1.63 C ATOM 414 CG LYS A 45 2.152 -9.244 -12.305 1.00 1.89 C ATOM 415 CD LYS A 45 1.204 -8.684 -13.357 1.00 1.77 C ATOM 416 CE LYS A 45 1.533 -9.212 -14.745 1.00 2.18 C ATOM 417 NZ LYS A 45 2.267 -8.220 -15.574 1.00 2.44 N ATOM 0 H LYS A 45 4.131 -9.519 -10.175 1.00 1.48 H new ATOM 0 HA LYS A 45 4.779 -7.124 -11.550 1.00 1.52 H new ATOM 0 HB2 LYS A 45 3.588 -8.042 -13.331 1.00 1.63 H new ATOM 0 HB3 LYS A 45 4.271 -9.425 -12.500 1.00 1.63 H new ATOM 0 HG2 LYS A 45 2.227 -10.325 -12.420 1.00 1.89 H new ATOM 0 HG3 LYS A 45 1.745 -9.057 -11.311 1.00 1.89 H new ATOM 0 HD2 LYS A 45 0.178 -8.948 -13.100 1.00 1.77 H new ATOM 0 HD3 LYS A 45 1.262 -7.596 -13.358 1.00 1.77 H new ATOM 0 HE2 LYS A 45 2.133 -10.118 -14.653 1.00 2.18 H new ATOM 0 HE3 LYS A 45 0.609 -9.491 -15.252 1.00 2.18 H new ATOM 0 HZ1 LYS A 45 2.037 -8.368 -16.577 1.00 2.44 H new ATOM 0 HZ2 LYS A 45 1.988 -7.258 -15.293 1.00 2.44 H new ATOM 0 HZ3 LYS A 45 3.290 -8.339 -15.432 1.00 2.44 H new ATOM 431 N LYS A 46 1.952 -7.265 -9.917 1.00 1.33 N ATOM 432 CA LYS A 46 0.820 -6.495 -9.441 1.00 1.28 C ATOM 433 C LYS A 46 1.329 -5.298 -8.654 1.00 1.20 C ATOM 434 O LYS A 46 0.729 -4.224 -8.664 1.00 1.20 O ATOM 435 CB LYS A 46 -0.085 -7.364 -8.562 1.00 1.31 C ATOM 436 CG LYS A 46 -1.443 -6.744 -8.275 1.00 1.33 C ATOM 437 CD LYS A 46 -2.275 -6.618 -9.539 1.00 1.76 C ATOM 438 CE LYS A 46 -3.550 -5.831 -9.291 1.00 1.82 C ATOM 439 NZ LYS A 46 -4.199 -5.416 -10.561 1.00 2.08 N ATOM 0 H LYS A 46 2.055 -8.177 -9.472 1.00 1.33 H new ATOM 0 HA LYS A 46 0.234 -6.148 -10.292 1.00 1.28 H new ATOM 0 HB2 LYS A 46 -0.232 -8.328 -9.050 1.00 1.31 H new ATOM 0 HB3 LYS A 46 0.422 -7.559 -7.617 1.00 1.31 H new ATOM 0 HG2 LYS A 46 -1.976 -7.355 -7.546 1.00 1.33 H new ATOM 0 HG3 LYS A 46 -1.307 -5.759 -7.828 1.00 1.33 H new ATOM 0 HD2 LYS A 46 -1.688 -6.126 -10.315 1.00 1.76 H new ATOM 0 HD3 LYS A 46 -2.526 -7.611 -9.911 1.00 1.76 H new ATOM 0 HE2 LYS A 46 -4.244 -6.438 -8.710 1.00 1.82 H new ATOM 0 HE3 LYS A 46 -3.322 -4.948 -8.694 1.00 1.82 H new ATOM 0 HZ1 LYS A 46 -4.640 -4.483 -10.436 1.00 2.08 H new ATOM 0 HZ2 LYS A 46 -3.485 -5.363 -11.315 1.00 2.08 H new ATOM 0 HZ3 LYS A 46 -4.927 -6.111 -10.822 1.00 2.08 H new ATOM 453 N LEU A 47 2.457 -5.499 -7.988 1.00 1.18 N ATOM 454 CA LEU A 47 3.095 -4.457 -7.200 1.00 1.15 C ATOM 455 C LEU A 47 3.646 -3.374 -8.116 1.00 1.18 C ATOM 456 O LEU A 47 3.509 -2.180 -7.846 1.00 1.20 O ATOM 457 CB LEU A 47 4.215 -5.074 -6.350 1.00 1.21 C ATOM 458 CG LEU A 47 5.254 -4.095 -5.793 1.00 1.64 C ATOM 459 CD1 LEU A 47 5.549 -4.405 -4.334 1.00 2.54 C ATOM 460 CD2 LEU A 47 6.537 -4.158 -6.611 1.00 2.22 C ATOM 0 H LEU A 47 2.955 -6.389 -7.979 1.00 1.18 H new ATOM 0 HA LEU A 47 2.361 -4.000 -6.536 1.00 1.15 H new ATOM 0 HB2 LEU A 47 3.759 -5.604 -5.513 1.00 1.21 H new ATOM 0 HB3 LEU A 47 4.734 -5.819 -6.954 1.00 1.21 H new ATOM 0 HG LEU A 47 4.845 -3.087 -5.860 1.00 1.64 H new ATOM 0 HD11 LEU A 47 6.289 -3.700 -3.955 1.00 2.54 H new ATOM 0 HD12 LEU A 47 4.632 -4.318 -3.751 1.00 2.54 H new ATOM 0 HD13 LEU A 47 5.938 -5.420 -4.249 1.00 2.54 H new ATOM 0 HD21 LEU A 47 7.264 -3.457 -6.202 1.00 2.22 H new ATOM 0 HD22 LEU A 47 6.945 -5.168 -6.571 1.00 2.22 H new ATOM 0 HD23 LEU A 47 6.322 -3.895 -7.647 1.00 2.22 H new ATOM 472 N LYS A 48 4.245 -3.808 -9.215 1.00 1.25 N ATOM 473 CA LYS A 48 4.837 -2.900 -10.184 1.00 1.37 C ATOM 474 C LYS A 48 3.785 -2.014 -10.849 1.00 1.38 C ATOM 475 O LYS A 48 3.919 -0.789 -10.861 1.00 1.43 O ATOM 476 CB LYS A 48 5.599 -3.698 -11.248 1.00 1.53 C ATOM 477 CG LYS A 48 6.732 -4.542 -10.683 1.00 1.58 C ATOM 478 CD LYS A 48 7.300 -5.496 -11.724 1.00 1.80 C ATOM 479 CE LYS A 48 8.054 -4.758 -12.817 1.00 2.01 C ATOM 480 NZ LYS A 48 8.730 -5.695 -13.755 1.00 2.26 N ATOM 0 H LYS A 48 4.334 -4.794 -9.459 1.00 1.25 H new ATOM 0 HA LYS A 48 5.528 -2.248 -9.650 1.00 1.37 H new ATOM 0 HB2 LYS A 48 4.899 -4.349 -11.772 1.00 1.53 H new ATOM 0 HB3 LYS A 48 6.006 -3.007 -11.986 1.00 1.53 H new ATOM 0 HG2 LYS A 48 7.525 -3.889 -10.318 1.00 1.58 H new ATOM 0 HG3 LYS A 48 6.369 -5.112 -9.828 1.00 1.58 H new ATOM 0 HD2 LYS A 48 7.968 -6.207 -11.238 1.00 1.80 H new ATOM 0 HD3 LYS A 48 6.489 -6.073 -12.168 1.00 1.80 H new ATOM 0 HE2 LYS A 48 7.361 -4.125 -13.372 1.00 2.01 H new ATOM 0 HE3 LYS A 48 8.795 -4.099 -12.365 1.00 2.01 H new ATOM 0 HZ1 LYS A 48 9.029 -5.178 -14.607 1.00 2.26 H new ATOM 0 HZ2 LYS A 48 9.564 -6.109 -13.291 1.00 2.26 H new ATOM 0 HZ3 LYS A 48 8.071 -6.453 -14.024 1.00 2.26 H new ATOM 494 N GLU A 49 2.731 -2.627 -11.381 1.00 1.39 N ATOM 495 CA GLU A 49 1.686 -1.869 -12.068 1.00 1.46 C ATOM 496 C GLU A 49 0.912 -0.954 -11.117 1.00 1.40 C ATOM 497 O GLU A 49 0.663 0.208 -11.439 1.00 1.51 O ATOM 498 CB GLU A 49 0.719 -2.805 -12.805 1.00 1.52 C ATOM 499 CG GLU A 49 0.102 -3.883 -11.930 1.00 1.45 C ATOM 500 CD GLU A 49 -1.055 -4.591 -12.603 1.00 1.63 C ATOM 501 OE1 GLU A 49 -0.841 -5.236 -13.650 1.00 1.88 O ATOM 502 OE2 GLU A 49 -2.190 -4.499 -12.098 1.00 1.70 O ATOM 0 H GLU A 49 2.577 -3.635 -11.351 1.00 1.39 H new ATOM 0 HA GLU A 49 2.190 -1.235 -12.798 1.00 1.46 H new ATOM 0 HB2 GLU A 49 -0.081 -2.209 -13.245 1.00 1.52 H new ATOM 0 HB3 GLU A 49 1.251 -3.282 -13.628 1.00 1.52 H new ATOM 0 HG2 GLU A 49 0.867 -4.614 -11.668 1.00 1.45 H new ATOM 0 HG3 GLU A 49 -0.244 -3.435 -10.998 1.00 1.45 H new ATOM 509 N SER A 50 0.555 -1.459 -9.941 1.00 1.30 N ATOM 510 CA SER A 50 -0.205 -0.669 -8.974 1.00 1.32 C ATOM 511 C SER A 50 0.571 0.570 -8.535 1.00 1.33 C ATOM 512 O SER A 50 -0.018 1.634 -8.325 1.00 1.46 O ATOM 513 CB SER A 50 -0.577 -1.520 -7.762 1.00 1.26 C ATOM 514 OG SER A 50 -1.350 -2.649 -8.148 1.00 1.37 O ATOM 0 H SER A 50 0.777 -2.406 -9.634 1.00 1.30 H new ATOM 0 HA SER A 50 -1.120 -0.335 -9.464 1.00 1.32 H new ATOM 0 HB2 SER A 50 0.329 -1.852 -7.255 1.00 1.26 H new ATOM 0 HB3 SER A 50 -1.139 -0.917 -7.049 1.00 1.26 H new ATOM 0 HG SER A 50 -0.765 -3.430 -8.240 1.00 1.37 H new ATOM 520 N TYR A 51 1.887 0.438 -8.403 1.00 1.26 N ATOM 521 CA TYR A 51 2.716 1.561 -7.998 1.00 1.33 C ATOM 522 C TYR A 51 2.754 2.602 -9.109 1.00 1.50 C ATOM 523 O TYR A 51 2.721 3.804 -8.847 1.00 1.62 O ATOM 524 CB TYR A 51 4.130 1.100 -7.650 1.00 1.28 C ATOM 525 CG TYR A 51 4.925 2.116 -6.855 1.00 1.35 C ATOM 526 CD1 TYR A 51 4.780 2.219 -5.481 1.00 1.35 C ATOM 527 CD2 TYR A 51 5.824 2.965 -7.481 1.00 1.54 C ATOM 528 CE1 TYR A 51 5.509 3.142 -4.750 1.00 1.46 C ATOM 529 CE2 TYR A 51 6.558 3.888 -6.763 1.00 1.64 C ATOM 530 CZ TYR A 51 6.397 3.973 -5.399 1.00 1.56 C ATOM 531 OH TYR A 51 7.128 4.894 -4.685 1.00 1.69 O ATOM 0 H TYR A 51 2.397 -0.430 -8.570 1.00 1.26 H new ATOM 0 HA TYR A 51 2.281 2.009 -7.105 1.00 1.33 H new ATOM 0 HB2 TYR A 51 4.070 0.173 -7.080 1.00 1.28 H new ATOM 0 HB3 TYR A 51 4.666 0.874 -8.572 1.00 1.28 H new ATOM 0 HD1 TYR A 51 4.086 1.568 -4.971 1.00 1.35 H new ATOM 0 HD2 TYR A 51 5.953 2.903 -8.552 1.00 1.54 H new ATOM 0 HE1 TYR A 51 5.383 3.210 -3.680 1.00 1.46 H new ATOM 0 HE2 TYR A 51 7.255 4.540 -7.269 1.00 1.64 H new ATOM 0 HH TYR A 51 7.706 5.397 -5.296 1.00 1.69 H new ATOM 541 N CYS A 52 2.807 2.131 -10.350 1.00 1.55 N ATOM 542 CA CYS A 52 2.828 3.020 -11.504 1.00 1.74 C ATOM 543 C CYS A 52 1.533 3.819 -11.560 1.00 1.84 C ATOM 544 O CYS A 52 1.541 5.025 -11.814 1.00 1.99 O ATOM 545 CB CYS A 52 3.019 2.224 -12.798 1.00 1.82 C ATOM 546 SG CYS A 52 4.572 1.300 -12.876 1.00 1.82 S ATOM 0 H CYS A 52 2.836 1.138 -10.582 1.00 1.55 H new ATOM 0 HA CYS A 52 3.668 3.707 -11.402 1.00 1.74 H new ATOM 0 HB2 CYS A 52 2.188 1.527 -12.909 1.00 1.82 H new ATOM 0 HB3 CYS A 52 2.974 2.910 -13.644 1.00 1.82 H new ATOM 0 HG CYS A 52 4.524 0.300 -12.047 1.00 1.82 H new ATOM 552 N GLN A 53 0.420 3.139 -11.298 1.00 1.79 N ATOM 553 CA GLN A 53 -0.894 3.773 -11.299 1.00 1.94 C ATOM 554 C GLN A 53 -0.982 4.804 -10.179 1.00 1.99 C ATOM 555 O GLN A 53 -1.605 5.854 -10.331 1.00 2.17 O ATOM 556 CB GLN A 53 -1.987 2.720 -11.121 1.00 1.91 C ATOM 557 CG GLN A 53 -2.005 1.661 -12.211 1.00 1.94 C ATOM 558 CD GLN A 53 -2.793 0.429 -11.808 1.00 1.90 C ATOM 559 OE1 GLN A 53 -2.846 0.065 -10.633 1.00 1.86 O ATOM 560 NE2 GLN A 53 -3.406 -0.225 -12.778 1.00 2.00 N ATOM 0 H GLN A 53 0.403 2.142 -11.081 1.00 1.79 H new ATOM 0 HA GLN A 53 -1.037 4.276 -12.256 1.00 1.94 H new ATOM 0 HB2 GLN A 53 -1.854 2.232 -10.156 1.00 1.91 H new ATOM 0 HB3 GLN A 53 -2.956 3.218 -11.095 1.00 1.91 H new ATOM 0 HG2 GLN A 53 -2.437 2.084 -13.118 1.00 1.94 H new ATOM 0 HG3 GLN A 53 -0.982 1.372 -12.450 1.00 1.94 H new ATOM 0 HE21 GLN A 53 -3.338 0.108 -13.740 1.00 2.00 H new ATOM 0 HE22 GLN A 53 -3.947 -1.063 -12.565 1.00 2.00 H new ATOM 569 N ARG A 54 -0.341 4.495 -9.060 1.00 1.86 N ATOM 570 CA ARG A 54 -0.328 5.377 -7.901 1.00 1.94 C ATOM 571 C ARG A 54 0.467 6.648 -8.196 1.00 2.02 C ATOM 572 O ARG A 54 0.055 7.752 -7.840 1.00 2.17 O ATOM 573 CB ARG A 54 0.278 4.641 -6.701 1.00 1.82 C ATOM 574 CG ARG A 54 0.645 5.543 -5.534 1.00 2.10 C ATOM 575 CD ARG A 54 -0.410 5.515 -4.441 1.00 1.80 C ATOM 576 NE ARG A 54 0.086 6.114 -3.204 1.00 1.77 N ATOM 577 CZ ARG A 54 -0.320 5.758 -1.984 1.00 1.81 C ATOM 578 NH1 ARG A 54 -1.250 4.824 -1.838 1.00 1.85 N ATOM 579 NH2 ARG A 54 0.202 6.336 -0.914 1.00 1.89 N ATOM 0 H ARG A 54 0.183 3.629 -8.930 1.00 1.86 H new ATOM 0 HA ARG A 54 -1.353 5.664 -7.668 1.00 1.94 H new ATOM 0 HB2 ARG A 54 -0.431 3.889 -6.355 1.00 1.82 H new ATOM 0 HB3 ARG A 54 1.171 4.109 -7.029 1.00 1.82 H new ATOM 0 HG2 ARG A 54 1.604 5.230 -5.121 1.00 2.10 H new ATOM 0 HG3 ARG A 54 0.770 6.565 -5.891 1.00 2.10 H new ATOM 0 HD2 ARG A 54 -1.297 6.052 -4.776 1.00 1.80 H new ATOM 0 HD3 ARG A 54 -0.713 4.485 -4.252 1.00 1.80 H new ATOM 0 HE ARG A 54 0.787 6.851 -3.278 1.00 1.77 H new ATOM 0 HH11 ARG A 54 -1.656 4.376 -2.659 1.00 1.85 H new ATOM 0 HH12 ARG A 54 -1.559 4.553 -0.904 1.00 1.85 H new ATOM 0 HH21 ARG A 54 0.917 7.056 -1.021 1.00 1.89 H new ATOM 0 HH22 ARG A 54 -0.110 6.062 0.017 1.00 1.89 H new ATOM 593 N GLN A 55 1.606 6.483 -8.857 1.00 1.96 N ATOM 594 CA GLN A 55 2.471 7.606 -9.200 1.00 2.07 C ATOM 595 C GLN A 55 1.949 8.356 -10.426 1.00 2.27 C ATOM 596 O GLN A 55 2.423 9.447 -10.751 1.00 2.41 O ATOM 597 CB GLN A 55 3.897 7.114 -9.455 1.00 2.01 C ATOM 598 CG GLN A 55 4.532 6.429 -8.255 1.00 1.84 C ATOM 599 CD GLN A 55 4.540 7.303 -7.014 1.00 1.98 C ATOM 600 OE1 GLN A 55 3.615 7.260 -6.204 1.00 1.96 O ATOM 601 NE2 GLN A 55 5.582 8.104 -6.860 1.00 2.24 N ATOM 0 H GLN A 55 1.954 5.576 -9.168 1.00 1.96 H new ATOM 0 HA GLN A 55 2.474 8.297 -8.357 1.00 2.07 H new ATOM 0 HB2 GLN A 55 3.887 6.420 -10.295 1.00 2.01 H new ATOM 0 HB3 GLN A 55 4.517 7.961 -9.749 1.00 2.01 H new ATOM 0 HG2 GLN A 55 3.991 5.507 -8.041 1.00 1.84 H new ATOM 0 HG3 GLN A 55 5.556 6.148 -8.503 1.00 1.84 H new ATOM 0 HE21 GLN A 55 6.328 8.109 -7.555 1.00 2.24 H new ATOM 0 HE22 GLN A 55 5.639 8.716 -6.046 1.00 2.24 H new ATOM 610 N GLY A 56 0.981 7.757 -11.113 1.00 2.29 N ATOM 611 CA GLY A 56 0.403 8.380 -12.287 1.00 2.49 C ATOM 612 C GLY A 56 1.278 8.236 -13.513 1.00 2.55 C ATOM 613 O GLY A 56 1.286 9.106 -14.385 1.00 2.74 O ATOM 0 H GLY A 56 0.586 6.847 -10.875 1.00 2.29 H new ATOM 0 HA2 GLY A 56 -0.572 7.935 -12.487 1.00 2.49 H new ATOM 0 HA3 GLY A 56 0.236 9.438 -12.087 1.00 2.49 H new ATOM 617 N VAL A 57 2.012 7.135 -13.588 1.00 2.42 N ATOM 618 CA VAL A 57 2.900 6.881 -14.713 1.00 2.52 C ATOM 619 C VAL A 57 2.533 5.572 -15.406 1.00 2.44 C ATOM 620 O VAL A 57 1.893 4.711 -14.805 1.00 2.26 O ATOM 621 CB VAL A 57 4.379 6.828 -14.269 1.00 2.52 C ATOM 622 CG1 VAL A 57 4.850 8.200 -13.816 1.00 2.66 C ATOM 623 CG2 VAL A 57 4.579 5.805 -13.163 1.00 2.31 C ATOM 0 H VAL A 57 2.010 6.401 -12.880 1.00 2.42 H new ATOM 0 HA VAL A 57 2.777 7.708 -15.412 1.00 2.52 H new ATOM 0 HB VAL A 57 4.978 6.521 -15.127 1.00 2.52 H new ATOM 0 HG11 VAL A 57 5.894 8.143 -13.507 1.00 2.66 H new ATOM 0 HG12 VAL A 57 4.754 8.908 -14.639 1.00 2.66 H new ATOM 0 HG13 VAL A 57 4.241 8.535 -12.976 1.00 2.66 H new ATOM 0 HG21 VAL A 57 5.628 5.788 -12.869 1.00 2.31 H new ATOM 0 HG22 VAL A 57 3.966 6.074 -12.303 1.00 2.31 H new ATOM 0 HG23 VAL A 57 4.287 4.818 -13.523 1.00 2.31 H new ATOM 633 N PRO A 58 2.899 5.424 -16.689 1.00 2.60 N ATOM 634 CA PRO A 58 2.617 4.206 -17.457 1.00 2.59 C ATOM 635 C PRO A 58 3.443 3.018 -16.973 1.00 2.43 C ATOM 636 O PRO A 58 4.472 3.187 -16.320 1.00 2.41 O ATOM 637 CB PRO A 58 3.010 4.583 -18.888 1.00 2.86 C ATOM 638 CG PRO A 58 4.009 5.675 -18.730 1.00 2.93 C ATOM 639 CD PRO A 58 3.597 6.436 -17.503 1.00 2.84 C ATOM 0 HA PRO A 58 1.577 3.893 -17.358 1.00 2.59 H new ATOM 0 HB2 PRO A 58 3.435 3.731 -19.419 1.00 2.86 H new ATOM 0 HB3 PRO A 58 2.145 4.917 -19.461 1.00 2.86 H new ATOM 0 HG2 PRO A 58 5.015 5.271 -18.619 1.00 2.93 H new ATOM 0 HG3 PRO A 58 4.021 6.323 -19.606 1.00 2.93 H new ATOM 0 HD2 PRO A 58 4.459 6.849 -16.978 1.00 2.84 H new ATOM 0 HD3 PRO A 58 2.944 7.273 -17.750 1.00 2.84 H new ATOM 647 N MET A 59 2.990 1.821 -17.298 1.00 2.35 N ATOM 648 CA MET A 59 3.679 0.601 -16.897 1.00 2.23 C ATOM 649 C MET A 59 5.015 0.455 -17.629 1.00 2.37 C ATOM 650 O MET A 59 5.153 0.875 -18.779 1.00 2.52 O ATOM 651 CB MET A 59 2.783 -0.615 -17.168 1.00 2.17 C ATOM 652 CG MET A 59 3.391 -1.947 -16.747 1.00 2.10 C ATOM 653 SD MET A 59 3.996 -1.932 -15.048 1.00 1.99 S ATOM 654 CE MET A 59 4.407 -3.662 -14.833 1.00 1.73 C ATOM 0 H MET A 59 2.142 1.664 -17.842 1.00 2.35 H new ATOM 0 HA MET A 59 3.890 0.659 -15.829 1.00 2.23 H new ATOM 0 HB2 MET A 59 1.837 -0.479 -16.644 1.00 2.17 H new ATOM 0 HB3 MET A 59 2.555 -0.653 -18.233 1.00 2.17 H new ATOM 0 HG2 MET A 59 2.643 -2.733 -16.855 1.00 2.10 H new ATOM 0 HG3 MET A 59 4.213 -2.195 -17.419 1.00 2.10 H new ATOM 0 HE1 MET A 59 5.184 -3.760 -14.074 1.00 1.73 H new ATOM 0 HE2 MET A 59 3.520 -4.210 -14.517 1.00 1.73 H new ATOM 0 HE3 MET A 59 4.768 -4.070 -15.777 1.00 1.73 H new ATOM 664 N ASN A 60 5.997 -0.115 -16.926 1.00 2.55 N ATOM 665 CA ASN A 60 7.346 -0.363 -17.460 1.00 2.74 C ATOM 666 C ASN A 60 8.154 0.923 -17.631 1.00 2.80 C ATOM 667 O ASN A 60 9.161 0.936 -18.341 1.00 2.93 O ATOM 668 CB ASN A 60 7.292 -1.123 -18.793 1.00 3.07 C ATOM 669 CG ASN A 60 8.068 -2.427 -18.753 1.00 3.37 C ATOM 670 OD1 ASN A 60 7.503 -3.492 -18.502 1.00 3.65 O ATOM 671 ND2 ASN A 60 9.369 -2.356 -18.992 1.00 3.50 N ATOM 0 H ASN A 60 5.881 -0.422 -15.960 1.00 2.55 H new ATOM 0 HA ASN A 60 7.854 -0.981 -16.719 1.00 2.74 H new ATOM 0 HB2 ASN A 60 6.252 -1.331 -19.047 1.00 3.07 H new ATOM 0 HB3 ASN A 60 7.693 -0.490 -19.585 1.00 3.07 H new ATOM 0 HD21 ASN A 60 9.938 -3.202 -18.972 1.00 3.50 H new ATOM 0 HD22 ASN A 60 9.802 -1.455 -19.196 1.00 3.50 H new ATOM 678 N SER A 61 7.718 1.999 -16.988 1.00 2.74 N ATOM 679 CA SER A 61 8.437 3.264 -17.064 1.00 2.82 C ATOM 680 C SER A 61 9.424 3.362 -15.906 1.00 2.72 C ATOM 681 O SER A 61 10.464 4.016 -16.001 1.00 2.87 O ATOM 682 CB SER A 61 7.459 4.439 -17.025 1.00 2.82 C ATOM 683 OG SER A 61 6.698 4.426 -15.830 1.00 2.71 O ATOM 0 H SER A 61 6.876 2.022 -16.412 1.00 2.74 H new ATOM 0 HA SER A 61 8.984 3.304 -18.006 1.00 2.82 H new ATOM 0 HB2 SER A 61 8.009 5.377 -17.100 1.00 2.82 H new ATOM 0 HB3 SER A 61 6.792 4.391 -17.886 1.00 2.82 H new ATOM 0 HG SER A 61 5.782 4.140 -16.029 1.00 2.71 H new ATOM 689 N LEU A 62 9.087 2.684 -14.818 1.00 2.52 N ATOM 690 CA LEU A 62 9.914 2.673 -13.630 1.00 2.44 C ATOM 691 C LEU A 62 10.515 1.292 -13.420 1.00 2.42 C ATOM 692 O LEU A 62 9.860 0.276 -13.664 1.00 2.36 O ATOM 693 CB LEU A 62 9.088 3.061 -12.399 1.00 2.21 C ATOM 694 CG LEU A 62 8.440 4.445 -12.442 1.00 2.26 C ATOM 695 CD1 LEU A 62 7.569 4.663 -11.215 1.00 2.10 C ATOM 696 CD2 LEU A 62 9.500 5.530 -12.535 1.00 2.43 C ATOM 0 H LEU A 62 8.235 2.129 -14.739 1.00 2.52 H new ATOM 0 HA LEU A 62 10.716 3.399 -13.765 1.00 2.44 H new ATOM 0 HB2 LEU A 62 8.303 2.317 -12.262 1.00 2.21 H new ATOM 0 HB3 LEU A 62 9.732 3.009 -11.521 1.00 2.21 H new ATOM 0 HG LEU A 62 7.811 4.500 -13.330 1.00 2.26 H new ATOM 0 HD11 LEU A 62 7.116 5.653 -11.262 1.00 2.10 H new ATOM 0 HD12 LEU A 62 6.785 3.906 -11.186 1.00 2.10 H new ATOM 0 HD13 LEU A 62 8.181 4.586 -10.316 1.00 2.10 H new ATOM 0 HD21 LEU A 62 9.019 6.507 -12.564 1.00 2.43 H new ATOM 0 HD22 LEU A 62 10.155 5.474 -11.666 1.00 2.43 H new ATOM 0 HD23 LEU A 62 10.088 5.388 -13.442 1.00 2.43 H new ATOM 708 N ARG A 63 11.759 1.258 -12.976 1.00 2.50 N ATOM 709 CA ARG A 63 12.434 -0.001 -12.716 1.00 2.52 C ATOM 710 C ARG A 63 12.574 -0.203 -11.214 1.00 2.38 C ATOM 711 O ARG A 63 13.178 0.614 -10.515 1.00 2.41 O ATOM 712 CB ARG A 63 13.804 -0.064 -13.414 1.00 2.78 C ATOM 713 CG ARG A 63 14.727 1.117 -13.136 1.00 2.88 C ATOM 714 CD ARG A 63 15.962 1.058 -14.023 1.00 3.08 C ATOM 715 NE ARG A 63 16.912 2.136 -13.750 1.00 3.22 N ATOM 716 CZ ARG A 63 17.499 2.876 -14.696 1.00 3.35 C ATOM 717 NH1 ARG A 63 17.190 2.704 -15.978 1.00 3.39 N ATOM 718 NH2 ARG A 63 18.399 3.794 -14.358 1.00 3.47 N ATOM 0 H ARG A 63 12.322 2.088 -12.788 1.00 2.50 H new ATOM 0 HA ARG A 63 11.831 -0.809 -13.129 1.00 2.52 H new ATOM 0 HB2 ARG A 63 14.309 -0.980 -13.107 1.00 2.78 H new ATOM 0 HB3 ARG A 63 13.643 -0.134 -14.490 1.00 2.78 H new ATOM 0 HG2 ARG A 63 14.193 2.051 -13.311 1.00 2.88 H new ATOM 0 HG3 ARG A 63 15.026 1.112 -12.088 1.00 2.88 H new ATOM 0 HD2 ARG A 63 16.459 0.098 -13.881 1.00 3.08 H new ATOM 0 HD3 ARG A 63 15.655 1.107 -15.068 1.00 3.08 H new ATOM 0 HE ARG A 63 17.141 2.336 -12.776 1.00 3.22 H new ATOM 0 HH11 ARG A 63 16.500 2.003 -16.247 1.00 3.39 H new ATOM 0 HH12 ARG A 63 17.643 3.273 -16.693 1.00 3.39 H new ATOM 0 HH21 ARG A 63 18.642 3.934 -13.377 1.00 3.47 H new ATOM 0 HH22 ARG A 63 18.847 4.359 -15.080 1.00 3.47 H new ATOM 732 N PHE A 64 11.971 -1.273 -10.722 1.00 2.24 N ATOM 733 CA PHE A 64 12.008 -1.600 -9.305 1.00 2.11 C ATOM 734 C PHE A 64 13.197 -2.503 -9.017 1.00 2.29 C ATOM 735 O PHE A 64 13.344 -3.558 -9.634 1.00 2.40 O ATOM 736 CB PHE A 64 10.700 -2.276 -8.891 1.00 1.87 C ATOM 737 CG PHE A 64 9.485 -1.423 -9.140 1.00 1.69 C ATOM 738 CD1 PHE A 64 8.863 -1.419 -10.380 1.00 1.73 C ATOM 739 CD2 PHE A 64 8.971 -0.620 -8.137 1.00 1.54 C ATOM 740 CE1 PHE A 64 7.752 -0.630 -10.613 1.00 1.64 C ATOM 741 CE2 PHE A 64 7.860 0.171 -8.365 1.00 1.43 C ATOM 742 CZ PHE A 64 7.251 0.167 -9.605 1.00 1.49 C ATOM 0 H PHE A 64 11.444 -1.937 -11.290 1.00 2.24 H new ATOM 0 HA PHE A 64 12.119 -0.684 -8.725 1.00 2.11 H new ATOM 0 HB2 PHE A 64 10.595 -3.214 -9.437 1.00 1.87 H new ATOM 0 HB3 PHE A 64 10.748 -2.527 -7.831 1.00 1.87 H new ATOM 0 HD1 PHE A 64 9.252 -2.040 -11.173 1.00 1.73 H new ATOM 0 HD2 PHE A 64 9.443 -0.611 -7.166 1.00 1.54 H new ATOM 0 HE1 PHE A 64 7.277 -0.638 -11.583 1.00 1.64 H new ATOM 0 HE2 PHE A 64 7.468 0.792 -7.573 1.00 1.43 H new ATOM 0 HZ PHE A 64 6.385 0.786 -9.785 1.00 1.49 H new ATOM 752 N LEU A 65 14.041 -2.087 -8.084 1.00 2.35 N ATOM 753 CA LEU A 65 15.231 -2.845 -7.746 1.00 2.54 C ATOM 754 C LEU A 65 15.177 -3.391 -6.324 1.00 2.45 C ATOM 755 O LEU A 65 14.778 -2.698 -5.386 1.00 2.29 O ATOM 756 CB LEU A 65 16.475 -1.973 -7.915 1.00 2.77 C ATOM 757 CG LEU A 65 16.654 -1.352 -9.301 1.00 2.97 C ATOM 758 CD1 LEU A 65 17.903 -0.492 -9.336 1.00 3.16 C ATOM 759 CD2 LEU A 65 16.729 -2.428 -10.369 1.00 3.20 C ATOM 0 H LEU A 65 13.921 -1.227 -7.548 1.00 2.35 H new ATOM 0 HA LEU A 65 15.279 -3.694 -8.427 1.00 2.54 H new ATOM 0 HB2 LEU A 65 16.439 -1.171 -7.177 1.00 2.77 H new ATOM 0 HB3 LEU A 65 17.355 -2.576 -7.689 1.00 2.77 H new ATOM 0 HG LEU A 65 15.787 -0.724 -9.507 1.00 2.97 H new ATOM 0 HD11 LEU A 65 18.017 -0.057 -10.329 1.00 3.16 H new ATOM 0 HD12 LEU A 65 17.817 0.305 -8.598 1.00 3.16 H new ATOM 0 HD13 LEU A 65 18.774 -1.106 -9.107 1.00 3.16 H new ATOM 0 HD21 LEU A 65 16.856 -1.962 -11.346 1.00 3.20 H new ATOM 0 HD22 LEU A 65 17.576 -3.083 -10.166 1.00 3.20 H new ATOM 0 HD23 LEU A 65 15.809 -3.012 -10.362 1.00 3.20 H new ATOM 771 N PHE A 66 15.584 -4.641 -6.196 1.00 2.57 N ATOM 772 CA PHE A 66 15.636 -5.338 -4.926 1.00 2.54 C ATOM 773 C PHE A 66 17.014 -5.975 -4.779 1.00 2.84 C ATOM 774 O PHE A 66 17.339 -6.933 -5.483 1.00 2.97 O ATOM 775 CB PHE A 66 14.539 -6.406 -4.869 1.00 2.37 C ATOM 776 CG PHE A 66 14.441 -7.117 -3.549 1.00 2.35 C ATOM 777 CD1 PHE A 66 13.880 -6.490 -2.449 1.00 2.20 C ATOM 778 CD2 PHE A 66 14.899 -8.419 -3.414 1.00 2.54 C ATOM 779 CE1 PHE A 66 13.787 -7.142 -1.236 1.00 2.24 C ATOM 780 CE2 PHE A 66 14.808 -9.076 -2.203 1.00 2.56 C ATOM 781 CZ PHE A 66 14.247 -8.438 -1.113 1.00 2.42 C ATOM 0 H PHE A 66 15.893 -5.209 -6.985 1.00 2.57 H new ATOM 0 HA PHE A 66 15.469 -4.639 -4.107 1.00 2.54 H new ATOM 0 HB2 PHE A 66 13.580 -5.938 -5.089 1.00 2.37 H new ATOM 0 HB3 PHE A 66 14.722 -7.141 -5.653 1.00 2.37 H new ATOM 0 HD1 PHE A 66 13.511 -5.479 -2.541 1.00 2.20 H new ATOM 0 HD2 PHE A 66 15.331 -8.924 -4.265 1.00 2.54 H new ATOM 0 HE1 PHE A 66 13.355 -6.639 -0.384 1.00 2.24 H new ATOM 0 HE2 PHE A 66 15.175 -10.087 -2.108 1.00 2.56 H new ATOM 0 HZ PHE A 66 14.169 -8.952 -0.167 1.00 2.42 H new ATOM 791 N GLU A 67 17.830 -5.402 -3.898 1.00 2.95 N ATOM 792 CA GLU A 67 19.190 -5.885 -3.651 1.00 3.25 C ATOM 793 C GLU A 67 20.040 -5.801 -4.920 1.00 3.44 C ATOM 794 O GLU A 67 20.886 -6.661 -5.177 1.00 3.64 O ATOM 795 CB GLU A 67 19.177 -7.318 -3.109 1.00 3.32 C ATOM 796 CG GLU A 67 18.645 -7.429 -1.690 1.00 3.20 C ATOM 797 CD GLU A 67 19.280 -8.570 -0.926 1.00 3.33 C ATOM 798 OE1 GLU A 67 19.054 -9.739 -1.297 1.00 3.33 O ATOM 799 OE2 GLU A 67 20.016 -8.305 0.051 1.00 3.62 O ATOM 0 H GLU A 67 17.570 -4.592 -3.335 1.00 2.95 H new ATOM 0 HA GLU A 67 19.638 -5.239 -2.895 1.00 3.25 H new ATOM 0 HB2 GLU A 67 18.568 -7.940 -3.766 1.00 3.32 H new ATOM 0 HB3 GLU A 67 20.190 -7.718 -3.140 1.00 3.32 H new ATOM 0 HG2 GLU A 67 18.829 -6.494 -1.161 1.00 3.20 H new ATOM 0 HG3 GLU A 67 17.565 -7.571 -1.719 1.00 3.20 H new ATOM 806 N GLY A 68 19.794 -4.765 -5.715 1.00 3.41 N ATOM 807 CA GLY A 68 20.547 -4.565 -6.943 1.00 3.61 C ATOM 808 C GLY A 68 19.967 -5.316 -8.130 1.00 3.59 C ATOM 809 O GLY A 68 20.445 -5.169 -9.258 1.00 3.75 O ATOM 0 H GLY A 68 19.084 -4.057 -5.531 1.00 3.41 H new ATOM 0 HA2 GLY A 68 20.576 -3.500 -7.174 1.00 3.61 H new ATOM 0 HA3 GLY A 68 21.577 -4.886 -6.786 1.00 3.61 H new ATOM 813 N GLN A 69 18.948 -6.124 -7.884 1.00 3.41 N ATOM 814 CA GLN A 69 18.310 -6.896 -8.945 1.00 3.39 C ATOM 815 C GLN A 69 16.974 -6.272 -9.316 1.00 3.13 C ATOM 816 O GLN A 69 16.306 -5.695 -8.466 1.00 2.88 O ATOM 817 CB GLN A 69 18.090 -8.342 -8.492 1.00 3.42 C ATOM 818 CG GLN A 69 19.258 -8.927 -7.717 1.00 3.76 C ATOM 819 CD GLN A 69 19.933 -10.064 -8.453 1.00 4.25 C ATOM 820 OE1 GLN A 69 19.291 -10.826 -9.176 1.00 4.42 O ATOM 821 NE2 GLN A 69 21.238 -10.178 -8.284 1.00 4.67 N ATOM 0 H GLN A 69 18.543 -6.264 -6.959 1.00 3.41 H new ATOM 0 HA GLN A 69 18.965 -6.891 -9.817 1.00 3.39 H new ATOM 0 HB2 GLN A 69 17.196 -8.386 -7.871 1.00 3.42 H new ATOM 0 HB3 GLN A 69 17.900 -8.962 -9.368 1.00 3.42 H new ATOM 0 HG2 GLN A 69 19.988 -8.142 -7.520 1.00 3.76 H new ATOM 0 HG3 GLN A 69 18.905 -9.284 -6.749 1.00 3.76 H new ATOM 0 HE21 GLN A 69 21.732 -9.525 -7.676 1.00 4.67 H new ATOM 0 HE22 GLN A 69 21.751 -10.919 -8.762 1.00 4.67 H new ATOM 830 N ARG A 70 16.577 -6.379 -10.573 1.00 3.20 N ATOM 831 CA ARG A 70 15.309 -5.807 -10.996 1.00 2.98 C ATOM 832 C ARG A 70 14.169 -6.791 -10.745 1.00 2.82 C ATOM 833 O ARG A 70 14.316 -7.998 -10.944 1.00 2.96 O ATOM 834 CB ARG A 70 15.358 -5.382 -12.467 1.00 3.12 C ATOM 835 CG ARG A 70 15.547 -6.525 -13.449 1.00 3.34 C ATOM 836 CD ARG A 70 15.832 -6.012 -14.851 1.00 3.51 C ATOM 837 NE ARG A 70 14.724 -5.214 -15.388 1.00 3.29 N ATOM 838 CZ ARG A 70 14.834 -3.937 -15.772 1.00 3.31 C ATOM 839 NH1 ARG A 70 16.003 -3.309 -15.697 1.00 3.55 N ATOM 840 NH2 ARG A 70 13.777 -3.294 -16.252 1.00 3.17 N ATOM 0 H ARG A 70 17.105 -6.849 -11.309 1.00 3.20 H new ATOM 0 HA ARG A 70 15.124 -4.912 -10.402 1.00 2.98 H new ATOM 0 HB2 ARG A 70 14.433 -4.859 -12.712 1.00 3.12 H new ATOM 0 HB3 ARG A 70 16.172 -4.669 -12.599 1.00 3.12 H new ATOM 0 HG2 ARG A 70 16.370 -7.159 -13.118 1.00 3.34 H new ATOM 0 HG3 ARG A 70 14.652 -7.146 -13.463 1.00 3.34 H new ATOM 0 HD2 ARG A 70 16.739 -5.407 -14.837 1.00 3.51 H new ATOM 0 HD3 ARG A 70 16.023 -6.857 -15.513 1.00 3.51 H new ATOM 0 HE ARG A 70 13.811 -5.661 -15.474 1.00 3.29 H new ATOM 0 HH11 ARG A 70 16.824 -3.801 -15.345 1.00 3.55 H new ATOM 0 HH12 ARG A 70 16.079 -2.335 -15.992 1.00 3.55 H new ATOM 0 HH21 ARG A 70 12.880 -3.773 -16.328 1.00 3.17 H new ATOM 0 HH22 ARG A 70 13.862 -2.321 -16.544 1.00 3.17 H new ATOM 854 N ILE A 71 13.047 -6.267 -10.280 1.00 2.55 N ATOM 855 CA ILE A 71 11.880 -7.085 -9.987 1.00 2.38 C ATOM 856 C ILE A 71 11.165 -7.513 -11.265 1.00 2.44 C ATOM 857 O ILE A 71 10.620 -6.682 -11.992 1.00 2.40 O ATOM 858 CB ILE A 71 10.885 -6.329 -9.077 1.00 2.07 C ATOM 859 CG1 ILE A 71 11.507 -6.062 -7.705 1.00 2.04 C ATOM 860 CG2 ILE A 71 9.583 -7.105 -8.927 1.00 1.92 C ATOM 861 CD1 ILE A 71 11.825 -7.319 -6.924 1.00 2.17 C ATOM 0 H ILE A 71 12.919 -5.272 -10.096 1.00 2.55 H new ATOM 0 HA ILE A 71 12.238 -7.974 -9.468 1.00 2.38 H new ATOM 0 HB ILE A 71 10.658 -5.373 -9.549 1.00 2.07 H new ATOM 0 HG12 ILE A 71 12.423 -5.486 -7.837 1.00 2.04 H new ATOM 0 HG13 ILE A 71 10.824 -5.445 -7.121 1.00 2.04 H new ATOM 0 HG21 ILE A 71 8.901 -6.551 -8.282 1.00 1.92 H new ATOM 0 HG22 ILE A 71 9.126 -7.241 -9.907 1.00 1.92 H new ATOM 0 HG23 ILE A 71 9.789 -8.080 -8.485 1.00 1.92 H new ATOM 0 HD11 ILE A 71 12.263 -7.049 -5.963 1.00 2.17 H new ATOM 0 HD12 ILE A 71 10.909 -7.886 -6.759 1.00 2.17 H new ATOM 0 HD13 ILE A 71 12.532 -7.928 -7.487 1.00 2.17 H new ATOM 873 N ALA A 72 11.182 -8.811 -11.538 1.00 2.56 N ATOM 874 CA ALA A 72 10.521 -9.350 -12.715 1.00 2.64 C ATOM 875 C ALA A 72 9.036 -9.536 -12.440 1.00 2.42 C ATOM 876 O ALA A 72 8.611 -9.592 -11.285 1.00 2.27 O ATOM 877 CB ALA A 72 11.151 -10.668 -13.129 1.00 2.89 C ATOM 0 H ALA A 72 11.647 -9.509 -10.958 1.00 2.56 H new ATOM 0 HA ALA A 72 10.642 -8.642 -13.535 1.00 2.64 H new ATOM 0 HB1 ALA A 72 10.641 -11.054 -14.012 1.00 2.89 H new ATOM 0 HB2 ALA A 72 12.205 -10.511 -13.358 1.00 2.89 H new ATOM 0 HB3 ALA A 72 11.060 -11.387 -12.314 1.00 2.89 H new ATOM 883 N ASP A 73 8.255 -9.650 -13.500 1.00 2.44 N ATOM 884 CA ASP A 73 6.812 -9.815 -13.380 1.00 2.28 C ATOM 885 C ASP A 73 6.460 -11.228 -12.926 1.00 2.31 C ATOM 886 O ASP A 73 5.400 -11.459 -12.337 1.00 2.17 O ATOM 887 CB ASP A 73 6.126 -9.504 -14.713 1.00 2.32 C ATOM 888 CG ASP A 73 5.945 -8.014 -14.944 1.00 2.24 C ATOM 889 OD1 ASP A 73 6.958 -7.280 -14.975 1.00 2.32 O ATOM 890 OD2 ASP A 73 4.789 -7.569 -15.102 1.00 2.18 O ATOM 0 H ASP A 73 8.596 -9.631 -14.461 1.00 2.44 H new ATOM 0 HA ASP A 73 6.454 -9.114 -12.626 1.00 2.28 H new ATOM 0 HB2 ASP A 73 6.715 -9.925 -15.527 1.00 2.32 H new ATOM 0 HB3 ASP A 73 5.152 -9.993 -14.739 1.00 2.32 H new ATOM 895 N ASN A 74 7.359 -12.168 -13.181 1.00 2.53 N ATOM 896 CA ASN A 74 7.142 -13.559 -12.790 1.00 2.61 C ATOM 897 C ASN A 74 7.698 -13.823 -11.393 1.00 2.56 C ATOM 898 O ASN A 74 7.661 -14.951 -10.900 1.00 2.62 O ATOM 899 CB ASN A 74 7.783 -14.522 -13.803 1.00 2.89 C ATOM 900 CG ASN A 74 9.300 -14.533 -13.737 1.00 3.10 C ATOM 901 OD1 ASN A 74 9.933 -13.516 -13.461 1.00 3.20 O ATOM 902 ND2 ASN A 74 9.895 -15.686 -13.994 1.00 3.29 N ATOM 0 H ASN A 74 8.245 -11.996 -13.656 1.00 2.53 H new ATOM 0 HA ASN A 74 6.067 -13.736 -12.777 1.00 2.61 H new ATOM 0 HB2 ASN A 74 7.410 -15.530 -13.623 1.00 2.89 H new ATOM 0 HB3 ASN A 74 7.471 -14.242 -14.809 1.00 2.89 H new ATOM 0 HD21 ASN A 74 10.912 -15.752 -13.967 1.00 3.29 H new ATOM 0 HD22 ASN A 74 9.336 -16.509 -14.219 1.00 3.29 H new ATOM 909 N HIS A 75 8.208 -12.776 -10.754 1.00 2.48 N ATOM 910 CA HIS A 75 8.767 -12.900 -9.415 1.00 2.46 C ATOM 911 C HIS A 75 7.671 -12.783 -8.367 1.00 2.21 C ATOM 912 O HIS A 75 6.684 -12.068 -8.561 1.00 2.00 O ATOM 913 CB HIS A 75 9.839 -11.833 -9.167 1.00 2.47 C ATOM 914 CG HIS A 75 11.183 -12.176 -9.735 1.00 2.75 C ATOM 915 ND1 HIS A 75 12.340 -11.484 -9.445 1.00 3.12 N ATOM 916 CD2 HIS A 75 11.543 -13.162 -10.594 1.00 2.97 C ATOM 917 CE1 HIS A 75 13.344 -12.057 -10.124 1.00 3.27 C ATOM 918 NE2 HIS A 75 12.911 -13.082 -10.836 1.00 3.17 N ATOM 0 H HIS A 75 8.245 -11.833 -11.142 1.00 2.48 H new ATOM 0 HA HIS A 75 9.231 -13.883 -9.336 1.00 2.46 H new ATOM 0 HB2 HIS A 75 9.504 -10.889 -9.597 1.00 2.47 H new ATOM 0 HB3 HIS A 75 9.939 -11.676 -8.093 1.00 2.47 H new ATOM 0 HD2 HIS A 75 10.874 -13.893 -11.022 1.00 2.97 H new ATOM 0 HE1 HIS A 75 14.371 -11.725 -10.093 1.00 3.27 H new ATOM 0 HE2 HIS A 75 13.465 -13.690 -11.439 1.00 3.17 H new ATOM 926 N THR A 76 7.840 -13.495 -7.269 1.00 2.27 N ATOM 927 CA THR A 76 6.878 -13.475 -6.184 1.00 2.09 C ATOM 928 C THR A 76 7.574 -13.128 -4.871 1.00 2.05 C ATOM 929 O THR A 76 8.793 -13.249 -4.769 1.00 2.19 O ATOM 930 CB THR A 76 6.178 -14.842 -6.050 1.00 2.22 C ATOM 931 OG1 THR A 76 7.153 -15.889 -5.930 1.00 2.32 O ATOM 932 CG2 THR A 76 5.280 -15.113 -7.246 1.00 2.53 C ATOM 0 H THR A 76 8.644 -14.101 -7.104 1.00 2.27 H new ATOM 0 HA THR A 76 6.128 -12.716 -6.408 1.00 2.09 H new ATOM 0 HB THR A 76 5.561 -14.818 -5.152 1.00 2.22 H new ATOM 0 HG1 THR A 76 7.790 -15.830 -6.673 1.00 2.32 H new ATOM 0 HG21 THR A 76 4.798 -16.083 -7.127 1.00 2.53 H new ATOM 0 HG22 THR A 76 4.519 -14.336 -7.313 1.00 2.53 H new ATOM 0 HG23 THR A 76 5.878 -15.115 -8.157 1.00 2.53 H new ATOM 940 N PRO A 77 6.819 -12.684 -3.849 1.00 1.92 N ATOM 941 CA PRO A 77 7.389 -12.337 -2.537 1.00 1.92 C ATOM 942 C PRO A 77 7.908 -13.569 -1.793 1.00 2.13 C ATOM 943 O PRO A 77 8.544 -13.458 -0.743 1.00 2.21 O ATOM 944 CB PRO A 77 6.211 -11.708 -1.775 1.00 1.76 C ATOM 945 CG PRO A 77 5.166 -11.436 -2.806 1.00 1.66 C ATOM 946 CD PRO A 77 5.367 -12.462 -3.882 1.00 1.81 C ATOM 0 HA PRO A 77 8.247 -11.671 -2.632 1.00 1.92 H new ATOM 0 HB2 PRO A 77 5.836 -12.383 -1.006 1.00 1.76 H new ATOM 0 HB3 PRO A 77 6.515 -10.790 -1.273 1.00 1.76 H new ATOM 0 HG2 PRO A 77 4.167 -11.511 -2.377 1.00 1.66 H new ATOM 0 HG3 PRO A 77 5.266 -10.427 -3.206 1.00 1.66 H new ATOM 0 HD2 PRO A 77 4.813 -13.378 -3.677 1.00 1.81 H new ATOM 0 HD3 PRO A 77 5.035 -12.099 -4.855 1.00 1.81 H new ATOM 954 N LYS A 78 7.624 -14.743 -2.348 1.00 2.23 N ATOM 955 CA LYS A 78 8.055 -16.002 -1.758 1.00 2.44 C ATOM 956 C LYS A 78 9.539 -16.230 -2.020 1.00 2.61 C ATOM 957 O LYS A 78 10.243 -16.839 -1.212 1.00 2.76 O ATOM 958 CB LYS A 78 7.232 -17.159 -2.341 1.00 2.48 C ATOM 959 CG LYS A 78 7.684 -18.541 -1.886 1.00 2.66 C ATOM 960 CD LYS A 78 7.468 -18.748 -0.394 1.00 2.76 C ATOM 961 CE LYS A 78 6.000 -18.962 -0.061 1.00 2.73 C ATOM 962 NZ LYS A 78 5.765 -18.985 1.405 1.00 2.92 N ATOM 0 H LYS A 78 7.093 -14.847 -3.213 1.00 2.23 H new ATOM 0 HA LYS A 78 7.896 -15.959 -0.681 1.00 2.44 H new ATOM 0 HB2 LYS A 78 6.187 -17.022 -2.064 1.00 2.48 H new ATOM 0 HB3 LYS A 78 7.282 -17.113 -3.429 1.00 2.48 H new ATOM 0 HG2 LYS A 78 7.136 -19.303 -2.441 1.00 2.66 H new ATOM 0 HG3 LYS A 78 8.740 -18.673 -2.121 1.00 2.66 H new ATOM 0 HD2 LYS A 78 8.046 -19.609 -0.059 1.00 2.76 H new ATOM 0 HD3 LYS A 78 7.842 -17.881 0.151 1.00 2.76 H new ATOM 0 HE2 LYS A 78 5.405 -18.168 -0.512 1.00 2.73 H new ATOM 0 HE3 LYS A 78 5.661 -19.901 -0.498 1.00 2.73 H new ATOM 0 HZ1 LYS A 78 4.903 -19.529 1.610 1.00 2.92 H new ATOM 0 HZ2 LYS A 78 6.576 -19.430 1.880 1.00 2.92 H new ATOM 0 HZ3 LYS A 78 5.651 -18.012 1.754 1.00 2.92 H new ATOM 976 N GLU A 79 10.010 -15.729 -3.151 1.00 2.62 N ATOM 977 CA GLU A 79 11.402 -15.874 -3.529 1.00 2.81 C ATOM 978 C GLU A 79 12.161 -14.575 -3.269 1.00 2.76 C ATOM 979 O GLU A 79 11.634 -13.665 -2.623 1.00 2.60 O ATOM 980 CB GLU A 79 11.507 -16.275 -5.002 1.00 2.89 C ATOM 981 CG GLU A 79 10.914 -15.255 -5.959 1.00 2.73 C ATOM 982 CD GLU A 79 10.484 -15.868 -7.272 1.00 2.84 C ATOM 983 OE1 GLU A 79 11.345 -16.418 -7.988 1.00 3.18 O ATOM 984 OE2 GLU A 79 9.282 -15.798 -7.599 1.00 2.70 O ATOM 0 H GLU A 79 9.442 -15.216 -3.825 1.00 2.62 H new ATOM 0 HA GLU A 79 11.852 -16.660 -2.922 1.00 2.81 H new ATOM 0 HB2 GLU A 79 12.557 -16.428 -5.253 1.00 2.89 H new ATOM 0 HB3 GLU A 79 11.002 -17.230 -5.146 1.00 2.89 H new ATOM 0 HG2 GLU A 79 10.055 -14.777 -5.488 1.00 2.73 H new ATOM 0 HG3 GLU A 79 11.649 -14.473 -6.151 1.00 2.73 H new ATOM 991 N LEU A 80 13.406 -14.519 -3.747 1.00 2.91 N ATOM 992 CA LEU A 80 14.281 -13.348 -3.597 1.00 2.90 C ATOM 993 C LEU A 80 14.786 -13.193 -2.163 1.00 2.89 C ATOM 994 O LEU A 80 15.928 -12.788 -1.941 1.00 3.04 O ATOM 995 CB LEU A 80 13.574 -12.065 -4.052 1.00 2.74 C ATOM 996 CG LEU A 80 13.251 -11.993 -5.545 1.00 2.80 C ATOM 997 CD1 LEU A 80 12.248 -10.886 -5.819 1.00 2.70 C ATOM 998 CD2 LEU A 80 14.517 -11.778 -6.360 1.00 2.94 C ATOM 0 H LEU A 80 13.841 -15.290 -4.254 1.00 2.91 H new ATOM 0 HA LEU A 80 15.145 -13.516 -4.240 1.00 2.90 H new ATOM 0 HB2 LEU A 80 12.645 -11.962 -3.491 1.00 2.74 H new ATOM 0 HB3 LEU A 80 14.200 -11.212 -3.791 1.00 2.74 H new ATOM 0 HG LEU A 80 12.809 -12.943 -5.845 1.00 2.80 H new ATOM 0 HD11 LEU A 80 12.030 -10.849 -6.886 1.00 2.70 H new ATOM 0 HD12 LEU A 80 11.329 -11.083 -5.267 1.00 2.70 H new ATOM 0 HD13 LEU A 80 12.665 -9.930 -5.501 1.00 2.70 H new ATOM 0 HD21 LEU A 80 14.264 -11.730 -7.419 1.00 2.94 H new ATOM 0 HD22 LEU A 80 14.990 -10.844 -6.057 1.00 2.94 H new ATOM 0 HD23 LEU A 80 15.205 -12.606 -6.189 1.00 2.94 H new ATOM 1010 N GLY A 81 13.940 -13.518 -1.197 1.00 2.76 N ATOM 1011 CA GLY A 81 14.320 -13.404 0.194 1.00 2.76 C ATOM 1012 C GLY A 81 13.683 -12.202 0.855 1.00 2.56 C ATOM 1013 O GLY A 81 14.287 -11.566 1.717 1.00 2.57 O ATOM 0 H GLY A 81 12.992 -13.860 -1.354 1.00 2.76 H new ATOM 0 HA2 GLY A 81 14.027 -14.309 0.726 1.00 2.76 H new ATOM 0 HA3 GLY A 81 15.405 -13.328 0.269 1.00 2.76 H new ATOM 1017 N MET A 82 12.459 -11.895 0.447 1.00 2.41 N ATOM 1018 CA MET A 82 11.725 -10.762 0.999 1.00 2.23 C ATOM 1019 C MET A 82 11.309 -11.028 2.441 1.00 2.23 C ATOM 1020 O MET A 82 10.735 -12.074 2.752 1.00 2.28 O ATOM 1021 CB MET A 82 10.485 -10.466 0.153 1.00 2.05 C ATOM 1022 CG MET A 82 10.784 -9.695 -1.121 1.00 2.27 C ATOM 1023 SD MET A 82 9.296 -9.284 -2.051 1.00 2.05 S ATOM 1024 CE MET A 82 9.941 -8.056 -3.184 1.00 2.01 C ATOM 0 H MET A 82 11.951 -12.417 -0.267 1.00 2.41 H new ATOM 0 HA MET A 82 12.387 -9.897 0.982 1.00 2.23 H new ATOM 0 HB2 MET A 82 10.001 -11.407 -0.108 1.00 2.05 H new ATOM 0 HB3 MET A 82 9.774 -9.897 0.753 1.00 2.05 H new ATOM 0 HG2 MET A 82 11.315 -8.777 -0.869 1.00 2.27 H new ATOM 0 HG3 MET A 82 11.449 -10.286 -1.751 1.00 2.27 H new ATOM 0 HE1 MET A 82 9.139 -7.701 -3.831 1.00 2.01 H new ATOM 0 HE2 MET A 82 10.349 -7.218 -2.619 1.00 2.01 H new ATOM 0 HE3 MET A 82 10.728 -8.501 -3.793 1.00 2.01 H new ATOM 1034 N GLU A 83 11.617 -10.086 3.318 1.00 2.20 N ATOM 1035 CA GLU A 83 11.267 -10.202 4.726 1.00 2.22 C ATOM 1036 C GLU A 83 10.503 -8.965 5.181 1.00 2.07 C ATOM 1037 O GLU A 83 10.329 -8.020 4.413 1.00 1.91 O ATOM 1038 CB GLU A 83 12.519 -10.380 5.584 1.00 2.42 C ATOM 1039 CG GLU A 83 13.030 -11.810 5.638 1.00 2.73 C ATOM 1040 CD GLU A 83 14.267 -11.959 6.499 1.00 2.98 C ATOM 1041 OE1 GLU A 83 14.155 -11.833 7.736 1.00 3.44 O ATOM 1042 OE2 GLU A 83 15.357 -12.209 5.947 1.00 2.89 O ATOM 0 H GLU A 83 12.112 -9.227 3.078 1.00 2.20 H new ATOM 0 HA GLU A 83 10.634 -11.081 4.848 1.00 2.22 H new ATOM 0 HB2 GLU A 83 13.308 -9.737 5.195 1.00 2.42 H new ATOM 0 HB3 GLU A 83 12.304 -10.043 6.598 1.00 2.42 H new ATOM 0 HG2 GLU A 83 12.243 -12.458 6.025 1.00 2.73 H new ATOM 0 HG3 GLU A 83 13.254 -12.150 4.627 1.00 2.73 H new ATOM 1049 N GLU A 84 10.058 -8.979 6.428 1.00 2.15 N ATOM 1050 CA GLU A 84 9.320 -7.859 6.996 1.00 2.07 C ATOM 1051 C GLU A 84 10.207 -6.617 7.065 1.00 2.08 C ATOM 1052 O GLU A 84 11.407 -6.725 7.337 1.00 2.22 O ATOM 1053 CB GLU A 84 8.816 -8.232 8.392 1.00 2.20 C ATOM 1054 CG GLU A 84 7.942 -7.173 9.042 1.00 2.18 C ATOM 1055 CD GLU A 84 6.672 -6.899 8.267 1.00 2.10 C ATOM 1056 OE1 GLU A 84 6.720 -6.095 7.311 1.00 2.01 O ATOM 1057 OE2 GLU A 84 5.627 -7.505 8.592 1.00 2.34 O ATOM 0 H GLU A 84 10.196 -9.759 7.071 1.00 2.15 H new ATOM 0 HA GLU A 84 8.466 -7.634 6.357 1.00 2.07 H new ATOM 0 HB2 GLU A 84 8.252 -9.162 8.326 1.00 2.20 H new ATOM 0 HB3 GLU A 84 9.674 -8.425 9.036 1.00 2.20 H new ATOM 0 HG2 GLU A 84 7.683 -7.492 10.052 1.00 2.18 H new ATOM 0 HG3 GLU A 84 8.511 -6.248 9.136 1.00 2.18 H new ATOM 1064 N GLU A 85 9.610 -5.455 6.808 1.00 1.98 N ATOM 1065 CA GLU A 85 10.322 -4.178 6.832 1.00 2.01 C ATOM 1066 C GLU A 85 11.541 -4.207 5.911 1.00 2.02 C ATOM 1067 O GLU A 85 12.650 -3.849 6.317 1.00 2.18 O ATOM 1068 CB GLU A 85 10.752 -3.829 8.260 1.00 2.22 C ATOM 1069 CG GLU A 85 9.594 -3.493 9.183 1.00 2.32 C ATOM 1070 CD GLU A 85 8.800 -2.294 8.710 1.00 2.36 C ATOM 1071 OE1 GLU A 85 9.363 -1.180 8.667 1.00 2.55 O ATOM 1072 OE2 GLU A 85 7.605 -2.456 8.388 1.00 2.47 O ATOM 0 H GLU A 85 8.620 -5.372 6.577 1.00 1.98 H new ATOM 0 HA GLU A 85 9.638 -3.410 6.470 1.00 2.01 H new ATOM 0 HB2 GLU A 85 11.306 -4.669 8.678 1.00 2.22 H new ATOM 0 HB3 GLU A 85 11.436 -2.981 8.227 1.00 2.22 H new ATOM 0 HG2 GLU A 85 8.932 -4.356 9.258 1.00 2.32 H new ATOM 0 HG3 GLU A 85 9.978 -3.298 10.184 1.00 2.32 H new ATOM 1079 N ASP A 86 11.333 -4.627 4.669 1.00 1.90 N ATOM 1080 CA ASP A 86 12.424 -4.703 3.705 1.00 1.96 C ATOM 1081 C ASP A 86 12.558 -3.386 2.951 1.00 1.88 C ATOM 1082 O ASP A 86 11.848 -2.424 3.244 1.00 1.79 O ATOM 1083 CB ASP A 86 12.213 -5.857 2.723 1.00 1.93 C ATOM 1084 CG ASP A 86 13.489 -6.637 2.471 1.00 2.12 C ATOM 1085 OD1 ASP A 86 14.411 -6.091 1.825 1.00 2.17 O ATOM 1086 OD2 ASP A 86 13.580 -7.797 2.932 1.00 2.28 O ATOM 0 H ASP A 86 10.425 -4.919 4.307 1.00 1.90 H new ATOM 0 HA ASP A 86 13.346 -4.891 4.255 1.00 1.96 H new ATOM 0 HB2 ASP A 86 11.450 -6.530 3.114 1.00 1.93 H new ATOM 0 HB3 ASP A 86 11.837 -5.464 1.778 1.00 1.93 H new ATOM 1091 N VAL A 87 13.456 -3.344 1.977 1.00 1.97 N ATOM 1092 CA VAL A 87 13.684 -2.128 1.207 1.00 1.94 C ATOM 1093 C VAL A 87 13.647 -2.404 -0.295 1.00 1.94 C ATOM 1094 O VAL A 87 14.172 -3.413 -0.768 1.00 2.10 O ATOM 1095 CB VAL A 87 15.042 -1.480 1.575 1.00 2.13 C ATOM 1096 CG1 VAL A 87 15.296 -0.230 0.746 1.00 2.18 C ATOM 1097 CG2 VAL A 87 15.098 -1.149 3.060 1.00 2.19 C ATOM 0 H VAL A 87 14.038 -4.135 1.701 1.00 1.97 H new ATOM 0 HA VAL A 87 12.879 -1.438 1.458 1.00 1.94 H new ATOM 0 HB VAL A 87 15.826 -2.203 1.350 1.00 2.13 H new ATOM 0 HG11 VAL A 87 16.256 0.203 1.026 1.00 2.18 H new ATOM 0 HG12 VAL A 87 15.311 -0.492 -0.312 1.00 2.18 H new ATOM 0 HG13 VAL A 87 14.503 0.495 0.929 1.00 2.18 H new ATOM 0 HG21 VAL A 87 16.061 -0.695 3.296 1.00 2.19 H new ATOM 0 HG22 VAL A 87 14.298 -0.452 3.308 1.00 2.19 H new ATOM 0 HG23 VAL A 87 14.976 -2.063 3.641 1.00 2.19 H new ATOM 1107 N ILE A 88 13.017 -1.501 -1.032 1.00 1.78 N ATOM 1108 CA ILE A 88 12.911 -1.609 -2.477 1.00 1.80 C ATOM 1109 C ILE A 88 13.165 -0.238 -3.102 1.00 1.86 C ATOM 1110 O ILE A 88 12.631 0.771 -2.642 1.00 1.79 O ATOM 1111 CB ILE A 88 11.530 -2.168 -2.908 1.00 1.61 C ATOM 1112 CG1 ILE A 88 11.427 -2.249 -4.433 1.00 1.67 C ATOM 1113 CG2 ILE A 88 10.395 -1.326 -2.335 1.00 1.44 C ATOM 1114 CD1 ILE A 88 10.197 -2.985 -4.917 1.00 1.52 C ATOM 0 H ILE A 88 12.565 -0.673 -0.644 1.00 1.78 H new ATOM 0 HA ILE A 88 13.662 -2.314 -2.832 1.00 1.80 H new ATOM 0 HB ILE A 88 11.437 -3.177 -2.506 1.00 1.61 H new ATOM 0 HG12 ILE A 88 11.421 -1.239 -4.843 1.00 1.67 H new ATOM 0 HG13 ILE A 88 12.315 -2.746 -4.823 1.00 1.67 H new ATOM 0 HG21 ILE A 88 9.438 -1.740 -2.653 1.00 1.44 H new ATOM 0 HG22 ILE A 88 10.450 -1.334 -1.246 1.00 1.44 H new ATOM 0 HG23 ILE A 88 10.484 -0.301 -2.696 1.00 1.44 H new ATOM 0 HD11 ILE A 88 10.189 -3.004 -6.007 1.00 1.52 H new ATOM 0 HD12 ILE A 88 10.211 -4.006 -4.537 1.00 1.52 H new ATOM 0 HD13 ILE A 88 9.303 -2.476 -4.557 1.00 1.52 H new ATOM 1126 N GLU A 89 14.009 -0.192 -4.117 1.00 2.04 N ATOM 1127 CA GLU A 89 14.334 1.068 -4.773 1.00 2.14 C ATOM 1128 C GLU A 89 13.623 1.174 -6.115 1.00 2.11 C ATOM 1129 O GLU A 89 13.413 0.170 -6.793 1.00 2.11 O ATOM 1130 CB GLU A 89 15.849 1.196 -4.964 1.00 2.41 C ATOM 1131 CG GLU A 89 16.621 1.277 -3.654 1.00 2.43 C ATOM 1132 CD GLU A 89 18.123 1.370 -3.849 1.00 2.68 C ATOM 1133 OE1 GLU A 89 18.560 1.574 -5.000 1.00 2.90 O ATOM 1134 OE2 GLU A 89 18.873 1.247 -2.857 1.00 2.87 O ATOM 0 H GLU A 89 14.482 -1.008 -4.506 1.00 2.04 H new ATOM 0 HA GLU A 89 13.992 1.883 -4.136 1.00 2.14 H new ATOM 0 HB2 GLU A 89 16.209 0.341 -5.536 1.00 2.41 H new ATOM 0 HB3 GLU A 89 16.059 2.087 -5.556 1.00 2.41 H new ATOM 0 HG2 GLU A 89 16.280 2.146 -3.092 1.00 2.43 H new ATOM 0 HG3 GLU A 89 16.393 0.398 -3.051 1.00 2.43 H new ATOM 1141 N VAL A 90 13.241 2.382 -6.487 1.00 2.12 N ATOM 1142 CA VAL A 90 12.561 2.604 -7.753 1.00 2.12 C ATOM 1143 C VAL A 90 13.206 3.762 -8.508 1.00 2.32 C ATOM 1144 O VAL A 90 13.447 4.833 -7.945 1.00 2.36 O ATOM 1145 CB VAL A 90 11.049 2.864 -7.553 1.00 1.93 C ATOM 1146 CG1 VAL A 90 10.806 4.093 -6.687 1.00 1.92 C ATOM 1147 CG2 VAL A 90 10.339 3.001 -8.893 1.00 1.94 C ATOM 0 H VAL A 90 13.389 3.225 -5.932 1.00 2.12 H new ATOM 0 HA VAL A 90 12.663 1.695 -8.346 1.00 2.12 H new ATOM 0 HB VAL A 90 10.633 2.002 -7.032 1.00 1.93 H new ATOM 0 HG11 VAL A 90 9.734 4.247 -6.567 1.00 1.92 H new ATOM 0 HG12 VAL A 90 11.263 3.945 -5.709 1.00 1.92 H new ATOM 0 HG13 VAL A 90 11.247 4.968 -7.165 1.00 1.92 H new ATOM 0 HG21 VAL A 90 9.277 3.183 -8.725 1.00 1.94 H new ATOM 0 HG22 VAL A 90 10.767 3.836 -9.448 1.00 1.94 H new ATOM 0 HG23 VAL A 90 10.463 2.082 -9.466 1.00 1.94 H new ATOM 1157 N TYR A 91 13.520 3.528 -9.773 1.00 2.46 N ATOM 1158 CA TYR A 91 14.137 4.546 -10.612 1.00 2.66 C ATOM 1159 C TYR A 91 13.455 4.588 -11.972 1.00 2.72 C ATOM 1160 O TYR A 91 12.758 3.650 -12.346 1.00 2.67 O ATOM 1161 CB TYR A 91 15.634 4.274 -10.782 1.00 2.86 C ATOM 1162 CG TYR A 91 16.388 4.221 -9.474 1.00 2.85 C ATOM 1163 CD1 TYR A 91 16.654 5.379 -8.755 1.00 2.89 C ATOM 1164 CD2 TYR A 91 16.826 3.011 -8.953 1.00 2.82 C ATOM 1165 CE1 TYR A 91 17.336 5.333 -7.555 1.00 2.92 C ATOM 1166 CE2 TYR A 91 17.507 2.957 -7.753 1.00 2.84 C ATOM 1167 CZ TYR A 91 17.760 4.120 -7.058 1.00 2.89 C ATOM 1168 OH TYR A 91 18.438 4.070 -5.862 1.00 2.94 O ATOM 0 H TYR A 91 13.357 2.638 -10.244 1.00 2.46 H new ATOM 0 HA TYR A 91 14.016 5.513 -10.124 1.00 2.66 H new ATOM 0 HB2 TYR A 91 15.766 3.328 -11.307 1.00 2.86 H new ATOM 0 HB3 TYR A 91 16.068 5.051 -11.411 1.00 2.86 H new ATOM 0 HD1 TYR A 91 16.322 6.332 -9.141 1.00 2.89 H new ATOM 0 HD2 TYR A 91 16.631 2.097 -9.495 1.00 2.82 H new ATOM 0 HE1 TYR A 91 17.536 6.243 -7.009 1.00 2.92 H new ATOM 0 HE2 TYR A 91 17.840 2.007 -7.361 1.00 2.84 H new ATOM 0 HH TYR A 91 18.776 3.162 -5.715 1.00 2.94 H new ATOM 1178 N GLN A 92 13.658 5.671 -12.703 1.00 2.84 N ATOM 1179 CA GLN A 92 13.053 5.828 -14.018 1.00 2.93 C ATOM 1180 C GLN A 92 13.893 5.138 -15.088 1.00 3.14 C ATOM 1181 O GLN A 92 15.119 5.255 -15.093 1.00 3.31 O ATOM 1182 CB GLN A 92 12.893 7.315 -14.346 1.00 3.07 C ATOM 1183 CG GLN A 92 11.793 7.993 -13.542 1.00 3.13 C ATOM 1184 CD GLN A 92 11.934 9.504 -13.489 1.00 3.36 C ATOM 1185 OE1 GLN A 92 11.538 10.140 -12.511 1.00 3.44 O ATOM 1186 NE2 GLN A 92 12.489 10.088 -14.538 1.00 3.63 N ATOM 0 H GLN A 92 14.238 6.457 -12.409 1.00 2.84 H new ATOM 0 HA GLN A 92 12.069 5.359 -14.004 1.00 2.93 H new ATOM 0 HB2 GLN A 92 13.838 7.825 -14.158 1.00 3.07 H new ATOM 0 HB3 GLN A 92 12.677 7.425 -15.409 1.00 3.07 H new ATOM 0 HG2 GLN A 92 10.826 7.740 -13.977 1.00 3.13 H new ATOM 0 HG3 GLN A 92 11.799 7.598 -12.526 1.00 3.13 H new ATOM 0 HE21 GLN A 92 12.804 9.525 -15.328 1.00 3.63 H new ATOM 0 HE22 GLN A 92 12.602 11.102 -14.557 1.00 3.63 H new ATOM 1195 N GLU A 93 13.233 4.413 -15.982 1.00 3.15 N ATOM 1196 CA GLU A 93 13.928 3.712 -17.054 1.00 3.36 C ATOM 1197 C GLU A 93 14.327 4.691 -18.146 1.00 3.61 C ATOM 1198 O GLU A 93 13.611 5.659 -18.409 1.00 3.61 O ATOM 1199 CB GLU A 93 13.044 2.608 -17.640 1.00 3.31 C ATOM 1200 CG GLU A 93 13.009 1.339 -16.802 1.00 3.20 C ATOM 1201 CD GLU A 93 14.259 0.492 -16.957 1.00 3.30 C ATOM 1202 OE1 GLU A 93 15.356 1.063 -17.137 1.00 3.36 O ATOM 1203 OE2 GLU A 93 14.159 -0.749 -16.894 1.00 3.35 O ATOM 0 H GLU A 93 12.220 4.295 -15.986 1.00 3.15 H new ATOM 0 HA GLU A 93 14.826 3.254 -16.639 1.00 3.36 H new ATOM 0 HB2 GLU A 93 12.028 2.988 -17.749 1.00 3.31 H new ATOM 0 HB3 GLU A 93 13.401 2.362 -18.640 1.00 3.31 H new ATOM 0 HG2 GLU A 93 12.886 1.606 -15.753 1.00 3.20 H new ATOM 0 HG3 GLU A 93 12.138 0.747 -17.085 1.00 3.20 H new ATOM 1210 N GLN A 94 15.457 4.431 -18.789 1.00 3.83 N ATOM 1211 CA GLN A 94 15.955 5.300 -19.850 1.00 4.09 C ATOM 1212 C GLN A 94 15.049 5.234 -21.073 1.00 4.17 C ATOM 1213 O GLN A 94 14.987 6.173 -21.863 1.00 4.33 O ATOM 1214 CB GLN A 94 17.379 4.899 -20.241 1.00 4.34 C ATOM 1215 CG GLN A 94 18.006 5.808 -21.281 1.00 4.61 C ATOM 1216 CD GLN A 94 19.375 5.332 -21.721 1.00 4.80 C ATOM 1217 OE1 GLN A 94 19.501 4.560 -22.674 1.00 4.90 O ATOM 1218 NE2 GLN A 94 20.407 5.783 -21.028 1.00 4.92 N ATOM 0 H GLN A 94 16.049 3.623 -18.595 1.00 3.83 H new ATOM 0 HA GLN A 94 15.961 6.323 -19.474 1.00 4.09 H new ATOM 0 HB2 GLN A 94 18.004 4.898 -19.348 1.00 4.34 H new ATOM 0 HB3 GLN A 94 17.367 3.878 -20.623 1.00 4.34 H new ATOM 0 HG2 GLN A 94 17.350 5.868 -22.149 1.00 4.61 H new ATOM 0 HG3 GLN A 94 18.089 6.816 -20.875 1.00 4.61 H new ATOM 0 HE21 GLN A 94 20.257 6.421 -20.246 1.00 4.92 H new ATOM 0 HE22 GLN A 94 21.353 5.493 -21.275 1.00 4.92 H new ATOM 1227 N THR A 95 14.356 4.119 -21.225 1.00 4.08 N ATOM 1228 CA THR A 95 13.451 3.930 -22.343 1.00 4.17 C ATOM 1229 C THR A 95 12.264 4.889 -22.259 1.00 4.00 C ATOM 1230 O THR A 95 11.771 5.375 -23.276 1.00 4.17 O ATOM 1231 CB THR A 95 12.946 2.480 -22.384 1.00 4.11 C ATOM 1232 OG1 THR A 95 13.151 1.861 -21.101 1.00 3.88 O ATOM 1233 CG2 THR A 95 13.678 1.689 -23.457 1.00 4.41 C ATOM 0 H THR A 95 14.404 3.327 -20.584 1.00 4.08 H new ATOM 0 HA THR A 95 14.003 4.143 -23.258 1.00 4.17 H new ATOM 0 HB THR A 95 11.882 2.487 -22.621 1.00 4.11 H new ATOM 0 HG1 THR A 95 12.827 0.937 -21.128 1.00 3.88 H new ATOM 0 HG21 THR A 95 13.307 0.664 -23.471 1.00 4.41 H new ATOM 0 HG22 THR A 95 13.507 2.150 -24.430 1.00 4.41 H new ATOM 0 HG23 THR A 95 14.746 1.685 -23.241 1.00 4.41 H new ATOM 1241 N GLY A 96 11.816 5.164 -21.040 1.00 3.73 N ATOM 1242 CA GLY A 96 10.696 6.064 -20.844 1.00 3.60 C ATOM 1243 C GLY A 96 9.386 5.320 -20.675 1.00 3.42 C ATOM 1244 O GLY A 96 8.536 5.719 -19.880 1.00 3.37 O ATOM 0 H GLY A 96 12.210 4.778 -20.182 1.00 3.73 H new ATOM 0 HA2 GLY A 96 10.878 6.681 -19.964 1.00 3.60 H new ATOM 0 HA3 GLY A 96 10.621 6.739 -21.697 1.00 3.60 H new ATOM 1248 N GLY A 97 9.228 4.237 -21.423 1.00 3.39 N ATOM 1249 CA GLY A 97 8.018 3.449 -21.342 1.00 3.25 C ATOM 1250 C GLY A 97 7.539 3.016 -22.708 1.00 3.46 C ATOM 1251 O GLY A 97 6.347 2.678 -22.845 1.00 3.54 O ATOM 1252 OXT GLY A 97 8.352 3.022 -23.659 1.00 3.68 O ATOM 0 H GLY A 97 9.920 3.890 -22.087 1.00 3.39 H new ATOM 0 HA2 GLY A 97 8.198 2.569 -20.724 1.00 3.25 H new ATOM 0 HA3 GLY A 97 7.238 4.030 -20.850 1.00 3.25 H new TER 1256 GLY A 97 ATOM 1257 N LYS B 1 6.717 11.896 3.954 1.00 3.70 N ATOM 1258 CA LYS B 1 5.389 11.278 3.730 1.00 3.56 C ATOM 1259 C LYS B 1 5.543 9.788 3.472 1.00 2.96 C ATOM 1260 O LYS B 1 5.971 9.385 2.392 1.00 3.20 O ATOM 1261 CB LYS B 1 4.682 11.924 2.533 1.00 4.36 C ATOM 1262 CG LYS B 1 4.761 13.442 2.501 1.00 5.08 C ATOM 1263 CD LYS B 1 4.089 13.997 1.256 1.00 5.92 C ATOM 1264 CE LYS B 1 4.428 15.462 1.038 1.00 6.64 C ATOM 1265 NZ LYS B 1 3.798 16.004 -0.196 1.00 7.46 N ATOM 0 H1 LYS B 1 6.594 12.846 4.358 1.00 3.70 H new ATOM 0 H2 LYS B 1 7.267 11.308 4.612 1.00 3.70 H new ATOM 0 H3 LYS B 1 7.224 11.968 3.049 1.00 3.70 H new ATOM 0 HA LYS B 1 4.788 11.437 4.625 1.00 3.56 H new ATOM 0 HB2 LYS B 1 5.117 11.530 1.614 1.00 4.36 H new ATOM 0 HB3 LYS B 1 3.633 11.627 2.542 1.00 4.36 H new ATOM 0 HG2 LYS B 1 4.283 13.853 3.390 1.00 5.08 H new ATOM 0 HG3 LYS B 1 5.805 13.756 2.526 1.00 5.08 H new ATOM 0 HD2 LYS B 1 4.400 13.418 0.386 1.00 5.92 H new ATOM 0 HD3 LYS B 1 3.009 13.883 1.345 1.00 5.92 H new ATOM 0 HE2 LYS B 1 4.096 16.042 1.899 1.00 6.64 H new ATOM 0 HE3 LYS B 1 5.510 15.578 0.973 1.00 6.64 H new ATOM 0 HZ1 LYS B 1 4.055 17.006 -0.306 1.00 7.46 H new ATOM 0 HZ2 LYS B 1 4.134 15.468 -1.021 1.00 7.46 H new ATOM 0 HZ3 LYS B 1 2.764 15.918 -0.124 1.00 7.46 H new ATOM 1281 N VAL B 2 5.204 8.972 4.462 1.00 2.52 N ATOM 1282 CA VAL B 2 5.305 7.536 4.333 1.00 2.19 C ATOM 1283 C VAL B 2 3.919 6.915 4.459 1.00 2.16 C ATOM 1284 O VAL B 2 3.347 6.856 5.549 1.00 2.32 O ATOM 1285 CB VAL B 2 6.234 6.931 5.415 1.00 2.29 C ATOM 1286 CG1 VAL B 2 6.827 5.615 4.945 1.00 2.65 C ATOM 1287 CG2 VAL B 2 7.336 7.907 5.804 1.00 2.60 C ATOM 0 H VAL B 2 4.855 9.289 5.366 1.00 2.52 H new ATOM 0 HA VAL B 2 5.732 7.316 3.354 1.00 2.19 H new ATOM 0 HB VAL B 2 5.628 6.737 6.300 1.00 2.29 H new ATOM 0 HG11 VAL B 2 7.475 5.210 5.722 1.00 2.65 H new ATOM 0 HG12 VAL B 2 6.024 4.908 4.737 1.00 2.65 H new ATOM 0 HG13 VAL B 2 7.408 5.781 4.038 1.00 2.65 H new ATOM 0 HG21 VAL B 2 7.971 7.454 6.565 1.00 2.60 H new ATOM 0 HG22 VAL B 2 7.936 8.147 4.926 1.00 2.60 H new ATOM 0 HG23 VAL B 2 6.891 8.820 6.200 1.00 2.60 H new ATOM 1297 N ASP B 3 3.375 6.474 3.341 1.00 2.10 N ATOM 1298 CA ASP B 3 2.060 5.849 3.322 1.00 2.09 C ATOM 1299 C ASP B 3 2.191 4.430 2.810 1.00 1.88 C ATOM 1300 O ASP B 3 3.002 4.167 1.932 1.00 1.83 O ATOM 1301 CB ASP B 3 1.100 6.650 2.443 1.00 2.18 C ATOM 1302 CG ASP B 3 -0.300 6.063 2.417 1.00 2.18 C ATOM 1303 OD1 ASP B 3 -1.034 6.228 3.409 1.00 2.50 O ATOM 1304 OD2 ASP B 3 -0.667 5.431 1.403 1.00 2.25 O ATOM 0 H ASP B 3 3.824 6.536 2.427 1.00 2.10 H new ATOM 0 HA ASP B 3 1.654 5.831 4.333 1.00 2.09 H new ATOM 0 HB2 ASP B 3 1.052 7.677 2.806 1.00 2.18 H new ATOM 0 HB3 ASP B 3 1.492 6.689 1.427 1.00 2.18 H new ATOM 1309 N VAL B 4 1.408 3.516 3.362 1.00 1.82 N ATOM 1310 CA VAL B 4 1.478 2.125 2.961 1.00 1.66 C ATOM 1311 C VAL B 4 0.439 1.816 1.900 1.00 1.67 C ATOM 1312 O VAL B 4 -0.756 1.747 2.192 1.00 1.80 O ATOM 1313 CB VAL B 4 1.263 1.165 4.153 1.00 1.71 C ATOM 1314 CG1 VAL B 4 2.200 -0.025 4.064 1.00 2.13 C ATOM 1315 CG2 VAL B 4 1.441 1.871 5.481 1.00 2.04 C ATOM 0 H VAL B 4 0.719 3.715 4.087 1.00 1.82 H new ATOM 0 HA VAL B 4 2.480 1.970 2.561 1.00 1.66 H new ATOM 0 HB VAL B 4 0.234 0.809 4.098 1.00 1.71 H new ATOM 0 HG11 VAL B 4 2.030 -0.686 4.914 1.00 2.13 H new ATOM 0 HG12 VAL B 4 2.011 -0.568 3.138 1.00 2.13 H new ATOM 0 HG13 VAL B 4 3.233 0.323 4.076 1.00 2.13 H new ATOM 0 HG21 VAL B 4 1.282 1.163 6.294 1.00 2.04 H new ATOM 0 HG22 VAL B 4 2.451 2.276 5.545 1.00 2.04 H new ATOM 0 HG23 VAL B 4 0.719 2.683 5.561 1.00 2.04 H new ATOM 1325 N ILE B 5 0.894 1.647 0.670 1.00 1.55 N ATOM 1326 CA ILE B 5 -0.004 1.325 -0.428 1.00 1.57 C ATOM 1327 C ILE B 5 -0.533 -0.097 -0.253 1.00 1.50 C ATOM 1328 O ILE B 5 0.240 -1.055 -0.258 1.00 1.31 O ATOM 1329 CB ILE B 5 0.695 1.447 -1.804 1.00 1.47 C ATOM 1330 CG1 ILE B 5 1.545 2.723 -1.871 1.00 1.55 C ATOM 1331 CG2 ILE B 5 -0.336 1.436 -2.925 1.00 1.58 C ATOM 1332 CD1 ILE B 5 2.325 2.879 -3.164 1.00 1.61 C ATOM 0 H ILE B 5 1.876 1.727 0.406 1.00 1.55 H new ATOM 0 HA ILE B 5 -0.825 2.042 -0.406 1.00 1.57 H new ATOM 0 HB ILE B 5 1.356 0.589 -1.930 1.00 1.47 H new ATOM 0 HG12 ILE B 5 0.894 3.588 -1.745 1.00 1.55 H new ATOM 0 HG13 ILE B 5 2.244 2.726 -1.035 1.00 1.55 H new ATOM 0 HG21 ILE B 5 0.171 1.523 -3.886 1.00 1.58 H new ATOM 0 HG22 ILE B 5 -0.898 0.502 -2.894 1.00 1.58 H new ATOM 0 HG23 ILE B 5 -1.020 2.275 -2.799 1.00 1.58 H new ATOM 0 HD11 ILE B 5 2.900 3.805 -3.133 1.00 1.61 H new ATOM 0 HD12 ILE B 5 3.004 2.034 -3.284 1.00 1.61 H new ATOM 0 HD13 ILE B 5 1.633 2.910 -4.005 1.00 1.61 H new ATOM 1344 N ASP B 6 -1.842 -0.227 -0.058 1.00 1.74 N ATOM 1345 CA ASP B 6 -2.458 -1.539 0.125 1.00 1.77 C ATOM 1346 C ASP B 6 -2.489 -2.307 -1.175 1.00 1.63 C ATOM 1347 O ASP B 6 -3.287 -1.997 -2.064 1.00 1.75 O ATOM 1348 CB ASP B 6 -3.896 -1.423 0.622 1.00 2.16 C ATOM 1349 CG ASP B 6 -4.020 -0.754 1.973 1.00 2.37 C ATOM 1350 OD1 ASP B 6 -3.804 -1.433 2.998 1.00 2.53 O ATOM 1351 OD2 ASP B 6 -4.359 0.447 2.018 1.00 2.43 O ATOM 0 H ASP B 6 -2.495 0.556 -0.023 1.00 1.74 H new ATOM 0 HA ASP B 6 -1.851 -2.061 0.865 1.00 1.77 H new ATOM 0 HB2 ASP B 6 -4.479 -0.860 -0.107 1.00 2.16 H new ATOM 0 HB3 ASP B 6 -4.333 -2.420 0.679 1.00 2.16 H new ATOM 1356 N LEU B 7 -1.632 -3.301 -1.293 1.00 1.42 N ATOM 1357 CA LEU B 7 -1.606 -4.122 -2.486 1.00 1.32 C ATOM 1358 C LEU B 7 -1.883 -5.570 -2.117 1.00 1.37 C ATOM 1359 O LEU B 7 -1.757 -6.469 -2.946 1.00 1.42 O ATOM 1360 CB LEU B 7 -0.264 -4.028 -3.221 1.00 1.13 C ATOM 1361 CG LEU B 7 0.109 -2.658 -3.790 1.00 1.41 C ATOM 1362 CD1 LEU B 7 1.160 -2.820 -4.869 1.00 1.77 C ATOM 1363 CD2 LEU B 7 -1.100 -1.930 -4.351 1.00 1.70 C ATOM 0 H LEU B 7 -0.948 -3.559 -0.582 1.00 1.42 H new ATOM 0 HA LEU B 7 -2.379 -3.750 -3.158 1.00 1.32 H new ATOM 0 HB2 LEU B 7 0.523 -4.338 -2.534 1.00 1.13 H new ATOM 0 HB3 LEU B 7 -0.273 -4.747 -4.040 1.00 1.13 H new ATOM 0 HG LEU B 7 0.507 -2.056 -2.973 1.00 1.41 H new ATOM 0 HD11 LEU B 7 1.422 -1.841 -5.271 1.00 1.77 H new ATOM 0 HD12 LEU B 7 2.048 -3.288 -4.444 1.00 1.77 H new ATOM 0 HD13 LEU B 7 0.767 -3.447 -5.669 1.00 1.77 H new ATOM 0 HD21 LEU B 7 -0.791 -0.962 -4.745 1.00 1.70 H new ATOM 0 HD22 LEU B 7 -1.543 -2.523 -5.151 1.00 1.70 H new ATOM 0 HD23 LEU B 7 -1.835 -1.782 -3.560 1.00 1.70 H new ATOM 1375 N THR B 8 -2.233 -5.788 -0.855 1.00 1.52 N ATOM 1376 CA THR B 8 -2.536 -7.115 -0.361 1.00 1.66 C ATOM 1377 C THR B 8 -3.782 -7.680 -1.037 1.00 1.76 C ATOM 1378 O THR B 8 -4.900 -7.282 -0.719 1.00 2.31 O ATOM 1379 CB THR B 8 -2.743 -7.081 1.163 1.00 2.06 C ATOM 1380 OG1 THR B 8 -3.773 -6.139 1.491 1.00 3.00 O ATOM 1381 CG2 THR B 8 -1.458 -6.677 1.860 1.00 2.55 C ATOM 0 H THR B 8 -2.313 -5.052 -0.154 1.00 1.52 H new ATOM 0 HA THR B 8 -1.691 -7.762 -0.596 1.00 1.66 H new ATOM 0 HB THR B 8 -3.034 -8.077 1.497 1.00 2.06 H new ATOM 0 HG1 THR B 8 -4.504 -6.214 0.842 1.00 3.00 H new ATOM 0 HG21 THR B 8 -1.619 -6.657 2.938 1.00 2.55 H new ATOM 0 HG22 THR B 8 -0.674 -7.397 1.624 1.00 2.55 H new ATOM 0 HG23 THR B 8 -1.156 -5.686 1.520 1.00 2.55 H new ATOM 1389 N ILE B 9 -3.580 -8.573 -1.994 1.00 1.81 N ATOM 1390 CA ILE B 9 -4.686 -9.193 -2.711 1.00 2.17 C ATOM 1391 C ILE B 9 -4.516 -10.708 -2.712 1.00 2.44 C ATOM 1392 O ILE B 9 -3.463 -11.216 -3.100 1.00 3.08 O ATOM 1393 CB ILE B 9 -4.770 -8.697 -4.172 1.00 2.73 C ATOM 1394 CG1 ILE B 9 -4.723 -7.168 -4.227 1.00 3.02 C ATOM 1395 CG2 ILE B 9 -6.039 -9.215 -4.837 1.00 3.38 C ATOM 1396 CD1 ILE B 9 -4.424 -6.618 -5.604 1.00 3.74 C ATOM 0 H ILE B 9 -2.657 -8.886 -2.294 1.00 1.81 H new ATOM 0 HA ILE B 9 -5.607 -8.914 -2.199 1.00 2.17 H new ATOM 0 HB ILE B 9 -3.909 -9.086 -4.716 1.00 2.73 H new ATOM 0 HG12 ILE B 9 -5.680 -6.771 -3.887 1.00 3.02 H new ATOM 0 HG13 ILE B 9 -3.964 -6.811 -3.530 1.00 3.02 H new ATOM 0 HG21 ILE B 9 -6.083 -8.857 -5.865 1.00 3.38 H new ATOM 0 HG22 ILE B 9 -6.033 -10.305 -4.832 1.00 3.38 H new ATOM 0 HG23 ILE B 9 -6.910 -8.854 -4.290 1.00 3.38 H new ATOM 0 HD11 ILE B 9 -4.407 -5.529 -5.565 1.00 3.74 H new ATOM 0 HD12 ILE B 9 -3.454 -6.984 -5.939 1.00 3.74 H new ATOM 0 HD13 ILE B 9 -5.196 -6.944 -6.301 1.00 3.74 H new ATOM 1408 N GLU B 10 -5.537 -11.426 -2.271 1.00 2.62 N ATOM 1409 CA GLU B 10 -5.466 -12.879 -2.232 1.00 3.41 C ATOM 1410 C GLU B 10 -5.998 -13.486 -3.526 1.00 3.70 C ATOM 1411 O GLU B 10 -5.438 -14.457 -4.040 1.00 4.27 O ATOM 1412 CB GLU B 10 -6.231 -13.427 -1.026 1.00 4.14 C ATOM 1413 CG GLU B 10 -5.418 -13.412 0.259 1.00 4.97 C ATOM 1414 CD GLU B 10 -6.098 -14.141 1.398 1.00 5.74 C ATOM 1415 OE1 GLU B 10 -6.598 -15.265 1.176 1.00 6.22 O ATOM 1416 OE2 GLU B 10 -6.150 -13.595 2.519 1.00 6.12 O ATOM 0 H GLU B 10 -6.417 -11.032 -1.938 1.00 2.62 H new ATOM 0 HA GLU B 10 -4.418 -13.162 -2.131 1.00 3.41 H new ATOM 0 HB2 GLU B 10 -7.137 -12.839 -0.881 1.00 4.14 H new ATOM 0 HB3 GLU B 10 -6.545 -14.449 -1.237 1.00 4.14 H new ATOM 0 HG2 GLU B 10 -4.446 -13.868 0.072 1.00 4.97 H new ATOM 0 HG3 GLU B 10 -5.235 -12.379 0.554 1.00 4.97 H new ATOM 1423 N SER B 11 -7.065 -12.908 -4.058 1.00 3.75 N ATOM 1424 CA SER B 11 -7.656 -13.406 -5.292 1.00 4.38 C ATOM 1425 C SER B 11 -8.128 -12.261 -6.188 1.00 4.06 C ATOM 1426 O SER B 11 -7.690 -12.143 -7.334 1.00 3.95 O ATOM 1427 CB SER B 11 -8.820 -14.347 -4.972 1.00 5.27 C ATOM 1428 OG SER B 11 -9.213 -14.229 -3.613 1.00 5.71 O ATOM 0 H SER B 11 -7.538 -12.098 -3.657 1.00 3.75 H new ATOM 0 HA SER B 11 -6.889 -13.957 -5.836 1.00 4.38 H new ATOM 0 HB2 SER B 11 -9.666 -14.117 -5.620 1.00 5.27 H new ATOM 0 HB3 SER B 11 -8.528 -15.376 -5.181 1.00 5.27 H new ATOM 0 HG SER B 11 -9.615 -13.348 -3.464 1.00 5.71 H new ATOM 1434 N SER B 12 -9.008 -11.413 -5.663 1.00 4.44 N ATOM 1435 CA SER B 12 -9.531 -10.294 -6.436 1.00 4.71 C ATOM 1436 C SER B 12 -10.257 -9.289 -5.543 1.00 4.51 C ATOM 1437 O SER B 12 -9.660 -8.329 -5.053 1.00 4.87 O ATOM 1438 CB SER B 12 -10.481 -10.813 -7.522 1.00 5.75 C ATOM 1439 OG SER B 12 -11.312 -11.850 -7.016 1.00 6.23 O ATOM 0 H SER B 12 -9.371 -11.479 -4.712 1.00 4.44 H new ATOM 0 HA SER B 12 -8.689 -9.781 -6.901 1.00 4.71 H new ATOM 0 HB2 SER B 12 -11.099 -9.995 -7.892 1.00 5.75 H new ATOM 0 HB3 SER B 12 -9.904 -11.185 -8.369 1.00 5.75 H new ATOM 0 HG SER B 12 -11.911 -12.165 -7.725 1.00 6.23 H new ATOM 1445 N SER B 13 -11.539 -9.536 -5.314 1.00 4.36 N ATOM 1446 CA SER B 13 -12.367 -8.655 -4.503 1.00 4.58 C ATOM 1447 C SER B 13 -12.420 -9.126 -3.050 1.00 4.15 C ATOM 1448 O SER B 13 -13.500 -9.267 -2.470 1.00 4.69 O ATOM 1449 CB SER B 13 -13.775 -8.599 -5.095 1.00 5.38 C ATOM 1450 OG SER B 13 -13.730 -8.650 -6.513 1.00 5.90 O ATOM 0 H SER B 13 -12.032 -10.349 -5.683 1.00 4.36 H new ATOM 0 HA SER B 13 -11.927 -7.658 -4.510 1.00 4.58 H new ATOM 0 HB2 SER B 13 -14.367 -9.432 -4.716 1.00 5.38 H new ATOM 0 HB3 SER B 13 -14.272 -7.683 -4.775 1.00 5.38 H new ATOM 0 HG SER B 13 -14.642 -8.615 -6.871 1.00 5.90 H new ATOM 1456 N ASP B 14 -11.257 -9.373 -2.472 1.00 3.66 N ATOM 1457 CA ASP B 14 -11.167 -9.819 -1.085 1.00 3.77 C ATOM 1458 C ASP B 14 -10.653 -8.686 -0.206 1.00 3.52 C ATOM 1459 O ASP B 14 -11.428 -8.034 0.492 1.00 3.73 O ATOM 1460 CB ASP B 14 -10.266 -11.058 -0.954 1.00 4.22 C ATOM 1461 CG ASP B 14 -9.117 -11.069 -1.945 1.00 5.09 C ATOM 1462 OD1 ASP B 14 -8.075 -10.450 -1.653 1.00 5.48 O ATOM 1463 OD2 ASP B 14 -9.250 -11.692 -3.018 1.00 5.62 O ATOM 0 H ASP B 14 -10.357 -9.273 -2.941 1.00 3.66 H new ATOM 0 HA ASP B 14 -12.166 -10.101 -0.751 1.00 3.77 H new ATOM 0 HB2 ASP B 14 -9.865 -11.102 0.058 1.00 4.22 H new ATOM 0 HB3 ASP B 14 -10.869 -11.955 -1.097 1.00 4.22 H new TER 1468 ASP B 14