USER MOD reduce.3.24.130724 H: found=0, std=0, add=882, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 880 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 14 TYR OH : rot 82:sc= 0.97 USER MOD Set 1.2: A 103 SER OG : rot 37:sc= 0.823 USER MOD Set 2.1: A 38 SER OG : rot -10:sc= -0.895 USER MOD Set 2.2: A 93 ASN : amide:sc= -6.61! C(o=-7.5!,f=-13!) USER MOD Set 3.1: A 77 SER OG : rot -87:sc= 0.00249 USER MOD Set 3.2: A 78 ASN : amide:sc= -0.116 K(o=-0.11,f=-2.3!) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 10 GLN : amide:sc= -0.0142 K(o=-0.014,f=-1.1) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 19 CYS SG : rot -160:sc= 0.143 USER MOD Single : A 20 SER OG : rot 180:sc= 0.0045 USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 SER OG : rot 21:sc= 0.88 USER MOD Single : A 33 ASN : amide:sc= -0.1 K(o=-0.1,f=-2.3!) USER MOD Single : A 39 LYS NZ :NH3+ 167:sc= 0 (180deg=-0.0689) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 ASN : amide:sc= -0.0839 K(o=-0.084,f=-1.9!) USER MOD Single : A 63 GLN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 64 SER OG : rot -28:sc= -0.487 USER MOD Single : A 65 ASN : amide:sc= -2.24! C(o=-2.2!,f=-1.7!) USER MOD Single : A 68 THR OG1 : rot 180:sc= -0.0714 USER MOD Single : A 70 THR OG1 : rot -130:sc= -0.628 USER MOD Single : A 72 THR OG1 : rot 180:sc= -0.0979 USER MOD Single : A 76 TYR OH : rot -26:sc= 0.97 USER MOD Single : A 79 LYS NZ :NH3+ 159:sc= -1.99 (180deg=-3.39!) USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 86 GLN : amide:sc= -7.72! C(o=-7.7!,f=-8.1!) USER MOD Single : A 88 TYR OH : rot 180:sc= 0 USER MOD Single : A 90 TYR OH : rot 180:sc= -0.615 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 SER OG : rot 180:sc= -0.885 USER MOD Single : A 101 THR OG1 : rot 106:sc= 0.0175 USER MOD Single : A 102 GLN : amide:sc= -0.871 K(o=-0.87,f=-1.5) USER MOD Single : A 111 CYS SG : rot 180:sc= 0 USER MOD Single : A 112 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -3.521 -28.785 -1.662 1.00 0.00 N ATOM 2 CA GLY A 1 -4.407 -29.215 -0.596 1.00 0.00 C ATOM 3 C GLY A 1 -5.133 -28.056 0.057 1.00 0.00 C ATOM 4 O GLY A 1 -4.504 -27.128 0.566 1.00 0.00 O ATOM 0 H1 GLY A 1 -3.048 -29.614 -2.076 1.00 0.00 H new ATOM 0 H2 GLY A 1 -4.073 -28.298 -2.397 1.00 0.00 H new ATOM 0 H3 GLY A 1 -2.806 -28.135 -1.278 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -5.137 -29.918 -0.996 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -3.830 -29.750 0.158 1.00 0.00 H new ATOM 8 N SER A 2 -6.461 -28.107 0.040 1.00 0.00 N ATOM 9 CA SER A 2 -7.274 -27.050 0.630 1.00 0.00 C ATOM 10 C SER A 2 -7.480 -27.292 2.123 1.00 0.00 C ATOM 11 O SER A 2 -7.445 -28.431 2.588 1.00 0.00 O ATOM 12 CB SER A 2 -8.628 -26.964 -0.076 1.00 0.00 C ATOM 13 OG SER A 2 -8.467 -26.682 -1.455 1.00 0.00 O ATOM 0 H SER A 2 -6.997 -28.869 -0.376 1.00 0.00 H new ATOM 0 HA SER A 2 -6.746 -26.105 0.502 1.00 0.00 H new ATOM 0 HB2 SER A 2 -9.165 -27.904 0.046 1.00 0.00 H new ATOM 0 HB3 SER A 2 -9.235 -26.187 0.389 1.00 0.00 H new ATOM 0 HG SER A 2 -9.347 -26.634 -1.884 1.00 0.00 H new ATOM 19 N SER A 3 -7.696 -26.212 2.867 1.00 0.00 N ATOM 20 CA SER A 3 -7.905 -26.305 4.307 1.00 0.00 C ATOM 21 C SER A 3 -9.270 -25.746 4.696 1.00 0.00 C ATOM 22 O SER A 3 -10.055 -26.408 5.373 1.00 0.00 O ATOM 23 CB SER A 3 -6.801 -25.553 5.053 1.00 0.00 C ATOM 24 OG SER A 3 -6.760 -25.930 6.418 1.00 0.00 O ATOM 0 H SER A 3 -7.731 -25.262 2.496 1.00 0.00 H new ATOM 0 HA SER A 3 -7.871 -27.358 4.587 1.00 0.00 H new ATOM 0 HB2 SER A 3 -5.838 -25.759 4.587 1.00 0.00 H new ATOM 0 HB3 SER A 3 -6.971 -24.479 4.974 1.00 0.00 H new ATOM 0 HG SER A 3 -6.045 -25.437 6.872 1.00 0.00 H new ATOM 30 N GLY A 4 -9.546 -24.520 4.261 1.00 0.00 N ATOM 31 CA GLY A 4 -10.816 -23.891 4.573 1.00 0.00 C ATOM 32 C GLY A 4 -11.543 -23.407 3.333 1.00 0.00 C ATOM 33 O GLY A 4 -10.986 -23.416 2.236 1.00 0.00 O ATOM 0 H GLY A 4 -8.913 -23.952 3.698 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -11.448 -24.600 5.107 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -10.646 -23.048 5.243 1.00 0.00 H new ATOM 37 N SER A 5 -12.791 -22.986 3.508 1.00 0.00 N ATOM 38 CA SER A 5 -13.598 -22.501 2.394 1.00 0.00 C ATOM 39 C SER A 5 -13.339 -21.020 2.139 1.00 0.00 C ATOM 40 O SER A 5 -12.944 -20.627 1.042 1.00 0.00 O ATOM 41 CB SER A 5 -15.084 -22.730 2.676 1.00 0.00 C ATOM 42 OG SER A 5 -15.835 -22.744 1.474 1.00 0.00 O ATOM 0 H SER A 5 -13.266 -22.971 4.411 1.00 0.00 H new ATOM 0 HA SER A 5 -13.314 -23.060 1.502 1.00 0.00 H new ATOM 0 HB2 SER A 5 -15.216 -23.675 3.202 1.00 0.00 H new ATOM 0 HB3 SER A 5 -15.458 -21.945 3.333 1.00 0.00 H new ATOM 0 HG SER A 5 -16.781 -22.894 1.681 1.00 0.00 H new ATOM 48 N SER A 6 -13.564 -20.201 3.162 1.00 0.00 N ATOM 49 CA SER A 6 -13.359 -18.762 3.050 1.00 0.00 C ATOM 50 C SER A 6 -11.871 -18.426 3.019 1.00 0.00 C ATOM 51 O SER A 6 -11.137 -18.721 3.961 1.00 0.00 O ATOM 52 CB SER A 6 -14.034 -18.037 4.216 1.00 0.00 C ATOM 53 OG SER A 6 -15.427 -18.294 4.239 1.00 0.00 O ATOM 0 H SER A 6 -13.889 -20.510 4.078 1.00 0.00 H new ATOM 0 HA SER A 6 -13.808 -18.427 2.115 1.00 0.00 H new ATOM 0 HB2 SER A 6 -13.586 -18.359 5.156 1.00 0.00 H new ATOM 0 HB3 SER A 6 -13.860 -16.964 4.131 1.00 0.00 H new ATOM 0 HG SER A 6 -15.835 -17.821 4.994 1.00 0.00 H new ATOM 59 N GLY A 7 -11.433 -17.806 1.927 1.00 0.00 N ATOM 60 CA GLY A 7 -10.036 -17.440 1.793 1.00 0.00 C ATOM 61 C GLY A 7 -9.851 -15.981 1.425 1.00 0.00 C ATOM 62 O GLY A 7 -9.104 -15.655 0.502 1.00 0.00 O ATOM 0 H GLY A 7 -12.021 -17.551 1.133 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -9.519 -17.643 2.731 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -9.571 -18.065 1.031 1.00 0.00 H new ATOM 66 N LEU A 8 -10.535 -15.100 2.146 1.00 0.00 N ATOM 67 CA LEU A 8 -10.445 -13.667 1.890 1.00 0.00 C ATOM 68 C LEU A 8 -9.338 -13.033 2.726 1.00 0.00 C ATOM 69 O LEU A 8 -9.101 -13.408 3.874 1.00 0.00 O ATOM 70 CB LEU A 8 -11.782 -12.989 2.196 1.00 0.00 C ATOM 71 CG LEU A 8 -12.954 -13.381 1.296 1.00 0.00 C ATOM 72 CD1 LEU A 8 -14.269 -13.268 2.052 1.00 0.00 C ATOM 73 CD2 LEU A 8 -12.980 -12.514 0.045 1.00 0.00 C ATOM 0 H LEU A 8 -11.158 -15.353 2.913 1.00 0.00 H new ATOM 0 HA LEU A 8 -10.206 -13.526 0.836 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -12.052 -13.212 3.228 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -11.643 -11.910 2.129 1.00 0.00 H new ATOM 0 HG LEU A 8 -12.821 -14.419 0.992 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -15.092 -13.551 1.395 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -14.250 -13.932 2.916 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -14.409 -12.240 2.387 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -13.821 -12.807 -0.584 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -13.088 -11.467 0.330 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -12.050 -12.646 -0.508 1.00 0.00 H new ATOM 85 N PRO A 9 -8.644 -12.047 2.138 1.00 0.00 N ATOM 86 CA PRO A 9 -7.552 -11.337 2.812 1.00 0.00 C ATOM 87 C PRO A 9 -8.051 -10.445 3.943 1.00 0.00 C ATOM 88 O PRO A 9 -9.079 -9.781 3.814 1.00 0.00 O ATOM 89 CB PRO A 9 -6.937 -10.491 1.695 1.00 0.00 C ATOM 90 CG PRO A 9 -8.042 -10.295 0.715 1.00 0.00 C ATOM 91 CD PRO A 9 -8.872 -11.548 0.772 1.00 0.00 C ATOM 0 HA PRO A 9 -6.848 -12.024 3.282 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -6.572 -9.537 2.076 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -6.087 -10.997 1.237 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -8.639 -9.419 0.970 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -7.649 -10.132 -0.289 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -9.927 -11.340 0.591 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -8.557 -12.273 0.022 1.00 0.00 H new ATOM 99 N GLN A 10 -7.316 -10.435 5.051 1.00 0.00 N ATOM 100 CA GLN A 10 -7.685 -9.623 6.204 1.00 0.00 C ATOM 101 C GLN A 10 -6.570 -8.646 6.562 1.00 0.00 C ATOM 102 O GLN A 10 -5.392 -8.922 6.337 1.00 0.00 O ATOM 103 CB GLN A 10 -7.999 -10.518 7.404 1.00 0.00 C ATOM 104 CG GLN A 10 -8.696 -9.789 8.541 1.00 0.00 C ATOM 105 CD GLN A 10 -9.318 -10.737 9.548 1.00 0.00 C ATOM 106 OE1 GLN A 10 -9.194 -11.957 9.429 1.00 0.00 O ATOM 107 NE2 GLN A 10 -9.993 -10.181 10.547 1.00 0.00 N ATOM 0 H GLN A 10 -6.462 -10.980 5.174 1.00 0.00 H new ATOM 0 HA GLN A 10 -8.575 -9.050 5.943 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -8.627 -11.346 7.075 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -7.071 -10.951 7.776 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -7.978 -9.145 9.049 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -9.471 -9.141 8.131 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -10.071 -9.166 10.607 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -10.434 -10.769 11.254 1.00 0.00 H new ATOM 116 N VAL A 11 -6.951 -7.501 7.120 1.00 0.00 N ATOM 117 CA VAL A 11 -5.983 -6.482 7.509 1.00 0.00 C ATOM 118 C VAL A 11 -6.231 -6.005 8.936 1.00 0.00 C ATOM 119 O VAL A 11 -6.996 -5.069 9.164 1.00 0.00 O ATOM 120 CB VAL A 11 -6.031 -5.270 6.560 1.00 0.00 C ATOM 121 CG1 VAL A 11 -5.035 -4.208 6.999 1.00 0.00 C ATOM 122 CG2 VAL A 11 -5.763 -5.705 5.127 1.00 0.00 C ATOM 0 H VAL A 11 -7.922 -7.256 7.313 1.00 0.00 H new ATOM 0 HA VAL A 11 -4.997 -6.943 7.448 1.00 0.00 H new ATOM 0 HB VAL A 11 -7.030 -4.836 6.603 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -5.083 -3.360 6.316 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -5.278 -3.876 8.008 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -4.028 -4.626 6.987 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -5.801 -4.836 4.470 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -4.777 -6.165 5.065 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -6.519 -6.426 4.818 1.00 0.00 H new ATOM 132 N GLU A 12 -5.578 -6.657 9.894 1.00 0.00 N ATOM 133 CA GLU A 12 -5.729 -6.299 11.299 1.00 0.00 C ATOM 134 C GLU A 12 -5.144 -4.917 11.575 1.00 0.00 C ATOM 135 O GLU A 12 -5.841 -4.019 12.046 1.00 0.00 O ATOM 136 CB GLU A 12 -5.046 -7.340 12.189 1.00 0.00 C ATOM 137 CG GLU A 12 -5.670 -7.465 13.569 1.00 0.00 C ATOM 138 CD GLU A 12 -5.185 -8.689 14.320 1.00 0.00 C ATOM 139 OE1 GLU A 12 -3.976 -8.991 14.247 1.00 0.00 O ATOM 140 OE2 GLU A 12 -6.016 -9.346 14.983 1.00 0.00 O ATOM 0 H GLU A 12 -4.941 -7.435 9.722 1.00 0.00 H new ATOM 0 HA GLU A 12 -6.794 -6.276 11.529 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -5.084 -8.310 11.693 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -3.994 -7.078 12.298 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -5.440 -6.572 14.150 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -6.755 -7.510 13.470 1.00 0.00 H new ATOM 147 N ALA A 13 -3.859 -4.755 11.277 1.00 0.00 N ATOM 148 CA ALA A 13 -3.180 -3.482 11.491 1.00 0.00 C ATOM 149 C ALA A 13 -2.000 -3.323 10.538 1.00 0.00 C ATOM 150 O ALA A 13 -1.493 -4.304 9.994 1.00 0.00 O ATOM 151 CB ALA A 13 -2.715 -3.369 12.935 1.00 0.00 C ATOM 0 H ALA A 13 -3.267 -5.489 10.887 1.00 0.00 H new ATOM 0 HA ALA A 13 -3.889 -2.680 11.286 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -2.210 -2.414 13.081 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -3.576 -3.429 13.600 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -2.025 -4.182 13.160 1.00 0.00 H new ATOM 157 N TYR A 14 -1.569 -2.083 10.341 1.00 0.00 N ATOM 158 CA TYR A 14 -0.450 -1.795 9.451 1.00 0.00 C ATOM 159 C TYR A 14 0.451 -0.714 10.041 1.00 0.00 C ATOM 160 O TYR A 14 -0.023 0.222 10.685 1.00 0.00 O ATOM 161 CB TYR A 14 -0.962 -1.355 8.079 1.00 0.00 C ATOM 162 CG TYR A 14 -1.827 -0.115 8.124 1.00 0.00 C ATOM 163 CD1 TYR A 14 -1.280 1.126 8.428 1.00 0.00 C ATOM 164 CD2 TYR A 14 -3.190 -0.185 7.865 1.00 0.00 C ATOM 165 CE1 TYR A 14 -2.067 2.261 8.471 1.00 0.00 C ATOM 166 CE2 TYR A 14 -3.983 0.945 7.904 1.00 0.00 C ATOM 167 CZ TYR A 14 -3.417 2.166 8.208 1.00 0.00 C ATOM 168 OH TYR A 14 -4.204 3.293 8.250 1.00 0.00 O ATOM 0 H TYR A 14 -1.977 -1.261 10.785 1.00 0.00 H new ATOM 0 HA TYR A 14 0.135 -2.708 9.337 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -0.110 -1.170 7.425 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -1.533 -2.170 7.635 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -0.223 1.205 8.634 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -3.637 -1.139 7.629 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -1.627 3.218 8.709 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -5.041 0.873 7.698 1.00 0.00 H new ATOM 0 HH TYR A 14 -4.128 3.777 7.401 1.00 0.00 H new ATOM 178 N SER A 15 1.754 -0.850 9.815 1.00 0.00 N ATOM 179 CA SER A 15 2.723 0.112 10.325 1.00 0.00 C ATOM 180 C SER A 15 3.945 0.187 9.415 1.00 0.00 C ATOM 181 O SER A 15 4.336 -0.790 8.776 1.00 0.00 O ATOM 182 CB SER A 15 3.152 -0.267 11.744 1.00 0.00 C ATOM 183 OG SER A 15 3.555 -1.624 11.809 1.00 0.00 O ATOM 0 H SER A 15 2.163 -1.618 9.282 1.00 0.00 H new ATOM 0 HA SER A 15 2.247 1.092 10.347 1.00 0.00 H new ATOM 0 HB2 SER A 15 3.973 0.375 12.063 1.00 0.00 H new ATOM 0 HB3 SER A 15 2.326 -0.096 12.435 1.00 0.00 H new ATOM 0 HG SER A 15 3.826 -1.841 12.725 1.00 0.00 H new ATOM 189 N PRO A 16 4.565 1.375 9.355 1.00 0.00 N ATOM 190 CA PRO A 16 4.109 2.545 10.111 1.00 0.00 C ATOM 191 C PRO A 16 2.789 3.097 9.585 1.00 0.00 C ATOM 192 O PRO A 16 2.541 3.095 8.379 1.00 0.00 O ATOM 193 CB PRO A 16 5.235 3.562 9.904 1.00 0.00 C ATOM 194 CG PRO A 16 5.871 3.165 8.616 1.00 0.00 C ATOM 195 CD PRO A 16 5.759 1.667 8.543 1.00 0.00 C ATOM 0 HA PRO A 16 3.919 2.305 11.157 1.00 0.00 H new ATOM 0 HB2 PRO A 16 4.846 4.579 9.857 1.00 0.00 H new ATOM 0 HB3 PRO A 16 5.951 3.532 10.725 1.00 0.00 H new ATOM 0 HG2 PRO A 16 5.368 3.636 7.771 1.00 0.00 H new ATOM 0 HG3 PRO A 16 6.914 3.480 8.582 1.00 0.00 H new ATOM 0 HD2 PRO A 16 5.641 1.322 7.516 1.00 0.00 H new ATOM 0 HD3 PRO A 16 6.647 1.177 8.943 1.00 0.00 H new ATOM 203 N SER A 17 1.945 3.570 10.496 1.00 0.00 N ATOM 204 CA SER A 17 0.648 4.122 10.124 1.00 0.00 C ATOM 205 C SER A 17 0.777 5.042 8.913 1.00 0.00 C ATOM 206 O SER A 17 -0.122 5.112 8.075 1.00 0.00 O ATOM 207 CB SER A 17 0.040 4.889 11.299 1.00 0.00 C ATOM 208 OG SER A 17 -1.208 5.460 10.945 1.00 0.00 O ATOM 0 H SER A 17 2.136 3.582 11.498 1.00 0.00 H new ATOM 0 HA SER A 17 -0.010 3.294 9.861 1.00 0.00 H new ATOM 0 HB2 SER A 17 -0.092 4.217 12.147 1.00 0.00 H new ATOM 0 HB3 SER A 17 0.725 5.674 11.618 1.00 0.00 H new ATOM 0 HG SER A 17 -1.576 5.943 11.714 1.00 0.00 H new ATOM 214 N ALA A 18 1.901 5.746 8.830 1.00 0.00 N ATOM 215 CA ALA A 18 2.149 6.660 7.722 1.00 0.00 C ATOM 216 C ALA A 18 3.621 6.650 7.322 1.00 0.00 C ATOM 217 O ALA A 18 4.459 6.074 8.016 1.00 0.00 O ATOM 218 CB ALA A 18 1.710 8.069 8.092 1.00 0.00 C ATOM 0 H ALA A 18 2.654 5.701 9.517 1.00 0.00 H new ATOM 0 HA ALA A 18 1.564 6.322 6.866 1.00 0.00 H new ATOM 0 HB1 ALA A 18 1.901 8.741 7.255 1.00 0.00 H new ATOM 0 HB2 ALA A 18 0.645 8.070 8.322 1.00 0.00 H new ATOM 0 HB3 ALA A 18 2.270 8.407 8.964 1.00 0.00 H new ATOM 224 N CYS A 19 3.927 7.290 6.199 1.00 0.00 N ATOM 225 CA CYS A 19 5.299 7.354 5.705 1.00 0.00 C ATOM 226 C CYS A 19 5.531 8.633 4.909 1.00 0.00 C ATOM 227 O CYS A 19 4.610 9.423 4.702 1.00 0.00 O ATOM 228 CB CYS A 19 5.606 6.134 4.835 1.00 0.00 C ATOM 229 SG CYS A 19 7.341 5.624 4.867 1.00 0.00 S ATOM 0 H CYS A 19 3.245 7.772 5.613 1.00 0.00 H new ATOM 0 HA CYS A 19 5.969 7.357 6.564 1.00 0.00 H new ATOM 0 HB2 CYS A 19 4.987 5.300 5.166 1.00 0.00 H new ATOM 0 HB3 CYS A 19 5.322 6.354 3.806 1.00 0.00 H new ATOM 0 HG CYS A 19 7.597 4.891 3.824 1.00 0.00 H new ATOM 235 N SER A 20 6.769 8.832 4.466 1.00 0.00 N ATOM 236 CA SER A 20 7.124 10.019 3.697 1.00 0.00 C ATOM 237 C SER A 20 7.014 9.749 2.200 1.00 0.00 C ATOM 238 O SER A 20 7.306 8.648 1.733 1.00 0.00 O ATOM 239 CB SER A 20 8.544 10.471 4.043 1.00 0.00 C ATOM 240 OG SER A 20 9.454 9.386 3.977 1.00 0.00 O ATOM 0 H SER A 20 7.542 8.187 4.627 1.00 0.00 H new ATOM 0 HA SER A 20 6.424 10.813 3.957 1.00 0.00 H new ATOM 0 HB2 SER A 20 8.858 11.255 3.354 1.00 0.00 H new ATOM 0 HB3 SER A 20 8.558 10.902 5.044 1.00 0.00 H new ATOM 0 HG SER A 20 10.355 9.701 4.201 1.00 0.00 H new ATOM 246 N VAL A 21 6.592 10.763 1.451 1.00 0.00 N ATOM 247 CA VAL A 21 6.444 10.637 0.006 1.00 0.00 C ATOM 248 C VAL A 21 7.593 9.837 -0.596 1.00 0.00 C ATOM 249 O VAL A 21 7.446 9.216 -1.648 1.00 0.00 O ATOM 250 CB VAL A 21 6.382 12.017 -0.674 1.00 0.00 C ATOM 251 CG1 VAL A 21 4.978 12.596 -0.582 1.00 0.00 C ATOM 252 CG2 VAL A 21 7.399 12.963 -0.053 1.00 0.00 C ATOM 0 H VAL A 21 6.347 11.681 1.821 1.00 0.00 H new ATOM 0 HA VAL A 21 5.506 10.110 -0.172 1.00 0.00 H new ATOM 0 HB VAL A 21 6.630 11.894 -1.728 1.00 0.00 H new ATOM 0 HG11 VAL A 21 4.954 13.571 -1.068 1.00 0.00 H new ATOM 0 HG12 VAL A 21 4.275 11.926 -1.077 1.00 0.00 H new ATOM 0 HG13 VAL A 21 4.698 12.706 0.466 1.00 0.00 H new ATOM 0 HG21 VAL A 21 7.341 13.934 -0.546 1.00 0.00 H new ATOM 0 HG22 VAL A 21 7.184 13.082 1.009 1.00 0.00 H new ATOM 0 HG23 VAL A 21 8.401 12.552 -0.177 1.00 0.00 H new ATOM 262 N ARG A 22 8.738 9.856 0.079 1.00 0.00 N ATOM 263 CA ARG A 22 9.914 9.132 -0.389 1.00 0.00 C ATOM 264 C ARG A 22 9.638 7.633 -0.456 1.00 0.00 C ATOM 265 O ARG A 22 9.966 6.975 -1.443 1.00 0.00 O ATOM 266 CB ARG A 22 11.105 9.402 0.531 1.00 0.00 C ATOM 267 CG ARG A 22 11.935 10.606 0.116 1.00 0.00 C ATOM 268 CD ARG A 22 13.276 10.632 0.832 1.00 0.00 C ATOM 269 NE ARG A 22 13.983 11.894 0.626 1.00 0.00 N ATOM 270 CZ ARG A 22 15.152 12.182 1.187 1.00 0.00 C ATOM 271 NH1 ARG A 22 15.742 11.302 1.984 1.00 0.00 N ATOM 272 NH2 ARG A 22 15.732 13.351 0.951 1.00 0.00 N ATOM 0 H ARG A 22 8.876 10.365 0.952 1.00 0.00 H new ATOM 0 HA ARG A 22 10.152 9.485 -1.392 1.00 0.00 H new ATOM 0 HB2 ARG A 22 10.741 9.555 1.547 1.00 0.00 H new ATOM 0 HB3 ARG A 22 11.745 8.520 0.551 1.00 0.00 H new ATOM 0 HG2 ARG A 22 12.097 10.583 -0.962 1.00 0.00 H new ATOM 0 HG3 ARG A 22 11.386 11.521 0.337 1.00 0.00 H new ATOM 0 HD2 ARG A 22 13.120 10.474 1.899 1.00 0.00 H new ATOM 0 HD3 ARG A 22 13.894 9.808 0.475 1.00 0.00 H new ATOM 0 HE ARG A 22 13.555 12.592 0.018 1.00 0.00 H new ATOM 0 HH11 ARG A 22 15.298 10.402 2.167 1.00 0.00 H new ATOM 0 HH12 ARG A 22 16.640 11.525 2.414 1.00 0.00 H new ATOM 0 HH21 ARG A 22 15.280 14.030 0.338 1.00 0.00 H new ATOM 0 HH22 ARG A 22 16.630 13.571 1.382 1.00 0.00 H new ATOM 286 N GLY A 23 9.034 7.099 0.601 1.00 0.00 N ATOM 287 CA GLY A 23 8.726 5.682 0.643 1.00 0.00 C ATOM 288 C GLY A 23 9.958 4.827 0.863 1.00 0.00 C ATOM 289 O GLY A 23 10.644 4.962 1.875 1.00 0.00 O ATOM 0 H GLY A 23 8.752 7.623 1.429 1.00 0.00 H new ATOM 0 HA2 GLY A 23 8.009 5.493 1.442 1.00 0.00 H new ATOM 0 HA3 GLY A 23 8.247 5.390 -0.291 1.00 0.00 H new ATOM 293 N GLY A 24 10.239 3.941 -0.088 1.00 0.00 N ATOM 294 CA GLY A 24 11.396 3.072 0.026 1.00 0.00 C ATOM 295 C GLY A 24 11.679 2.669 1.460 1.00 0.00 C ATOM 296 O GLY A 24 12.836 2.571 1.866 1.00 0.00 O ATOM 0 H GLY A 24 9.686 3.810 -0.935 1.00 0.00 H new ATOM 0 HA2 GLY A 24 11.235 2.177 -0.575 1.00 0.00 H new ATOM 0 HA3 GLY A 24 12.269 3.579 -0.385 1.00 0.00 H new ATOM 300 N GLU A 25 10.619 2.436 2.228 1.00 0.00 N ATOM 301 CA GLU A 25 10.760 2.044 3.625 1.00 0.00 C ATOM 302 C GLU A 25 10.117 0.683 3.876 1.00 0.00 C ATOM 303 O GLU A 25 9.433 0.140 3.010 1.00 0.00 O ATOM 304 CB GLU A 25 10.127 3.096 4.539 1.00 0.00 C ATOM 305 CG GLU A 25 10.999 4.322 4.751 1.00 0.00 C ATOM 306 CD GLU A 25 11.968 4.156 5.905 1.00 0.00 C ATOM 307 OE1 GLU A 25 11.575 4.442 7.056 1.00 0.00 O ATOM 308 OE2 GLU A 25 13.120 3.742 5.659 1.00 0.00 O ATOM 0 H GLU A 25 9.654 2.512 1.906 1.00 0.00 H new ATOM 0 HA GLU A 25 11.824 1.971 3.850 1.00 0.00 H new ATOM 0 HB2 GLU A 25 9.173 3.408 4.114 1.00 0.00 H new ATOM 0 HB3 GLU A 25 9.911 2.642 5.506 1.00 0.00 H new ATOM 0 HG2 GLU A 25 11.558 4.528 3.838 1.00 0.00 H new ATOM 0 HG3 GLU A 25 10.363 5.188 4.937 1.00 0.00 H new ATOM 315 N GLU A 26 10.344 0.139 5.068 1.00 0.00 N ATOM 316 CA GLU A 26 9.789 -1.159 5.432 1.00 0.00 C ATOM 317 C GLU A 26 8.336 -1.023 5.879 1.00 0.00 C ATOM 318 O GLU A 26 8.010 -0.186 6.722 1.00 0.00 O ATOM 319 CB GLU A 26 10.619 -1.799 6.546 1.00 0.00 C ATOM 320 CG GLU A 26 9.929 -2.972 7.222 1.00 0.00 C ATOM 321 CD GLU A 26 9.030 -2.541 8.365 1.00 0.00 C ATOM 322 OE1 GLU A 26 7.856 -2.205 8.102 1.00 0.00 O ATOM 323 OE2 GLU A 26 9.501 -2.540 9.521 1.00 0.00 O ATOM 0 H GLU A 26 10.908 0.577 5.797 1.00 0.00 H new ATOM 0 HA GLU A 26 9.822 -1.800 4.551 1.00 0.00 H new ATOM 0 HB2 GLU A 26 11.569 -2.137 6.132 1.00 0.00 H new ATOM 0 HB3 GLU A 26 10.850 -1.043 7.296 1.00 0.00 H new ATOM 0 HG2 GLU A 26 9.338 -3.515 6.485 1.00 0.00 H new ATOM 0 HG3 GLU A 26 10.682 -3.664 7.598 1.00 0.00 H new ATOM 330 N LEU A 27 7.468 -1.851 5.309 1.00 0.00 N ATOM 331 CA LEU A 27 6.049 -1.823 5.648 1.00 0.00 C ATOM 332 C LEU A 27 5.530 -3.229 5.933 1.00 0.00 C ATOM 333 O LEU A 27 5.378 -4.043 5.022 1.00 0.00 O ATOM 334 CB LEU A 27 5.245 -1.192 4.510 1.00 0.00 C ATOM 335 CG LEU A 27 3.731 -1.121 4.717 1.00 0.00 C ATOM 336 CD1 LEU A 27 3.391 -0.147 5.834 1.00 0.00 C ATOM 337 CD2 LEU A 27 3.035 -0.719 3.425 1.00 0.00 C ATOM 0 H LEU A 27 7.721 -2.550 4.610 1.00 0.00 H new ATOM 0 HA LEU A 27 5.927 -1.221 6.548 1.00 0.00 H new ATOM 0 HB2 LEU A 27 5.617 -0.181 4.346 1.00 0.00 H new ATOM 0 HB3 LEU A 27 5.441 -1.755 3.598 1.00 0.00 H new ATOM 0 HG LEU A 27 3.375 -2.110 5.005 1.00 0.00 H new ATOM 0 HD11 LEU A 27 2.310 -0.109 5.967 1.00 0.00 H new ATOM 0 HD12 LEU A 27 3.860 -0.478 6.761 1.00 0.00 H new ATOM 0 HD13 LEU A 27 3.760 0.846 5.576 1.00 0.00 H new ATOM 0 HD21 LEU A 27 1.959 -0.673 3.591 1.00 0.00 H new ATOM 0 HD22 LEU A 27 3.395 0.259 3.107 1.00 0.00 H new ATOM 0 HD23 LEU A 27 3.252 -1.455 2.651 1.00 0.00 H new ATOM 349 N VAL A 28 5.259 -3.507 7.205 1.00 0.00 N ATOM 350 CA VAL A 28 4.754 -4.813 7.610 1.00 0.00 C ATOM 351 C VAL A 28 3.251 -4.767 7.863 1.00 0.00 C ATOM 352 O VAL A 28 2.798 -4.259 8.890 1.00 0.00 O ATOM 353 CB VAL A 28 5.462 -5.319 8.881 1.00 0.00 C ATOM 354 CG1 VAL A 28 4.815 -6.603 9.378 1.00 0.00 C ATOM 355 CG2 VAL A 28 6.945 -5.528 8.617 1.00 0.00 C ATOM 0 H VAL A 28 5.381 -2.845 7.972 1.00 0.00 H new ATOM 0 HA VAL A 28 4.961 -5.500 6.790 1.00 0.00 H new ATOM 0 HB VAL A 28 5.357 -4.563 9.659 1.00 0.00 H new ATOM 0 HG11 VAL A 28 5.329 -6.945 10.276 1.00 0.00 H new ATOM 0 HG12 VAL A 28 3.766 -6.416 9.609 1.00 0.00 H new ATOM 0 HG13 VAL A 28 4.886 -7.369 8.606 1.00 0.00 H new ATOM 0 HG21 VAL A 28 7.429 -5.886 9.526 1.00 0.00 H new ATOM 0 HG22 VAL A 28 7.073 -6.264 7.824 1.00 0.00 H new ATOM 0 HG23 VAL A 28 7.397 -4.584 8.312 1.00 0.00 H new ATOM 365 N LEU A 29 2.481 -5.302 6.921 1.00 0.00 N ATOM 366 CA LEU A 29 1.028 -5.322 7.042 1.00 0.00 C ATOM 367 C LEU A 29 0.567 -6.514 7.876 1.00 0.00 C ATOM 368 O LEU A 29 0.761 -7.667 7.491 1.00 0.00 O ATOM 369 CB LEU A 29 0.382 -5.375 5.656 1.00 0.00 C ATOM 370 CG LEU A 29 0.652 -4.178 4.744 1.00 0.00 C ATOM 371 CD1 LEU A 29 0.307 -4.518 3.302 1.00 0.00 C ATOM 372 CD2 LEU A 29 -0.136 -2.963 5.211 1.00 0.00 C ATOM 0 H LEU A 29 2.839 -5.727 6.066 1.00 0.00 H new ATOM 0 HA LEU A 29 0.718 -4.407 7.547 1.00 0.00 H new ATOM 0 HB2 LEU A 29 0.727 -6.277 5.150 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -0.696 -5.474 5.783 1.00 0.00 H new ATOM 0 HG LEU A 29 1.714 -3.938 4.795 1.00 0.00 H new ATOM 0 HD11 LEU A 29 0.505 -3.654 2.667 1.00 0.00 H new ATOM 0 HD12 LEU A 29 0.916 -5.359 2.971 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -0.748 -4.784 3.233 1.00 0.00 H new ATOM 0 HD21 LEU A 29 0.069 -2.121 4.550 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -1.202 -3.190 5.190 1.00 0.00 H new ATOM 0 HD23 LEU A 29 0.160 -2.706 6.228 1.00 0.00 H new ATOM 384 N THR A 30 -0.045 -6.227 9.020 1.00 0.00 N ATOM 385 CA THR A 30 -0.535 -7.274 9.908 1.00 0.00 C ATOM 386 C THR A 30 -1.945 -7.705 9.525 1.00 0.00 C ATOM 387 O THR A 30 -2.792 -6.874 9.199 1.00 0.00 O ATOM 388 CB THR A 30 -0.533 -6.811 11.377 1.00 0.00 C ATOM 389 OG1 THR A 30 0.782 -6.388 11.756 1.00 0.00 O ATOM 390 CG2 THR A 30 -0.997 -7.929 12.298 1.00 0.00 C ATOM 0 H THR A 30 -0.213 -5.278 9.354 1.00 0.00 H new ATOM 0 HA THR A 30 0.142 -8.121 9.801 1.00 0.00 H new ATOM 0 HB THR A 30 -1.225 -5.974 11.472 1.00 0.00 H new ATOM 0 HG1 THR A 30 0.774 -6.094 12.691 1.00 0.00 H new ATOM 0 HG21 THR A 30 -0.987 -7.578 13.330 1.00 0.00 H new ATOM 0 HG22 THR A 30 -2.009 -8.228 12.026 1.00 0.00 H new ATOM 0 HG23 THR A 30 -0.328 -8.783 12.199 1.00 0.00 H new ATOM 398 N GLY A 31 -2.192 -9.011 9.566 1.00 0.00 N ATOM 399 CA GLY A 31 -3.503 -9.530 9.221 1.00 0.00 C ATOM 400 C GLY A 31 -3.534 -11.045 9.179 1.00 0.00 C ATOM 401 O GLY A 31 -2.895 -11.709 9.995 1.00 0.00 O ATOM 0 H GLY A 31 -1.508 -9.719 9.832 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -4.234 -9.175 9.948 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -3.802 -9.136 8.250 1.00 0.00 H new ATOM 405 N SER A 32 -4.281 -11.593 8.226 1.00 0.00 N ATOM 406 CA SER A 32 -4.398 -13.040 8.083 1.00 0.00 C ATOM 407 C SER A 32 -4.863 -13.412 6.679 1.00 0.00 C ATOM 408 O SER A 32 -5.323 -12.560 5.920 1.00 0.00 O ATOM 409 CB SER A 32 -5.373 -13.598 9.121 1.00 0.00 C ATOM 410 OG SER A 32 -4.742 -13.762 10.379 1.00 0.00 O ATOM 0 H SER A 32 -4.814 -11.057 7.541 1.00 0.00 H new ATOM 0 HA SER A 32 -3.413 -13.478 8.247 1.00 0.00 H new ATOM 0 HB2 SER A 32 -6.224 -12.925 9.223 1.00 0.00 H new ATOM 0 HB3 SER A 32 -5.763 -14.557 8.779 1.00 0.00 H new ATOM 0 HG SER A 32 -3.941 -13.199 10.419 1.00 0.00 H new ATOM 416 N ASN A 33 -4.739 -14.691 6.341 1.00 0.00 N ATOM 417 CA ASN A 33 -5.146 -15.178 5.028 1.00 0.00 C ATOM 418 C ASN A 33 -4.330 -14.511 3.924 1.00 0.00 C ATOM 419 O ASN A 33 -4.878 -14.065 2.915 1.00 0.00 O ATOM 420 CB ASN A 33 -6.637 -14.917 4.804 1.00 0.00 C ATOM 421 CG ASN A 33 -7.514 -15.777 5.692 1.00 0.00 C ATOM 422 OD1 ASN A 33 -7.239 -15.945 6.880 1.00 0.00 O ATOM 423 ND2 ASN A 33 -8.578 -16.328 5.118 1.00 0.00 N ATOM 0 H ASN A 33 -4.360 -15.409 6.958 1.00 0.00 H new ATOM 0 HA ASN A 33 -4.963 -16.252 4.993 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -6.852 -13.866 4.995 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -6.884 -15.108 3.760 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -9.205 -16.917 5.666 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -8.768 -16.162 4.130 1.00 0.00 H new ATOM 430 N PHE A 34 -3.018 -14.448 4.122 1.00 0.00 N ATOM 431 CA PHE A 34 -2.126 -13.835 3.144 1.00 0.00 C ATOM 432 C PHE A 34 -1.427 -14.900 2.305 1.00 0.00 C ATOM 433 O PHE A 34 -1.186 -16.015 2.770 1.00 0.00 O ATOM 434 CB PHE A 34 -1.086 -12.961 3.848 1.00 0.00 C ATOM 435 CG PHE A 34 -1.655 -11.688 4.409 1.00 0.00 C ATOM 436 CD1 PHE A 34 -2.506 -10.901 3.651 1.00 0.00 C ATOM 437 CD2 PHE A 34 -1.337 -11.280 5.695 1.00 0.00 C ATOM 438 CE1 PHE A 34 -3.030 -9.729 4.164 1.00 0.00 C ATOM 439 CE2 PHE A 34 -1.859 -10.110 6.213 1.00 0.00 C ATOM 440 CZ PHE A 34 -2.706 -9.333 5.447 1.00 0.00 C ATOM 0 H PHE A 34 -2.548 -14.814 4.950 1.00 0.00 H new ATOM 0 HA PHE A 34 -2.726 -13.211 2.482 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -0.629 -13.533 4.656 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -0.292 -12.715 3.143 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -2.763 -11.206 2.648 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -0.674 -11.883 6.298 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -3.692 -9.124 3.562 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -1.605 -9.803 7.217 1.00 0.00 H new ATOM 0 HZ PHE A 34 -3.114 -8.418 5.850 1.00 0.00 H new ATOM 450 N LEU A 35 -1.103 -14.549 1.065 1.00 0.00 N ATOM 451 CA LEU A 35 -0.431 -15.474 0.159 1.00 0.00 C ATOM 452 C LEU A 35 0.891 -14.892 -0.332 1.00 0.00 C ATOM 453 O LEU A 35 1.073 -13.677 -0.405 1.00 0.00 O ATOM 454 CB LEU A 35 -1.333 -15.796 -1.034 1.00 0.00 C ATOM 455 CG LEU A 35 -2.587 -16.615 -0.725 1.00 0.00 C ATOM 456 CD1 LEU A 35 -3.702 -16.274 -1.702 1.00 0.00 C ATOM 457 CD2 LEU A 35 -2.276 -18.104 -0.766 1.00 0.00 C ATOM 0 H LEU A 35 -1.295 -13.631 0.664 1.00 0.00 H new ATOM 0 HA LEU A 35 -0.221 -16.392 0.707 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -1.641 -14.858 -1.495 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -0.743 -16.337 -1.774 1.00 0.00 H new ATOM 0 HG LEU A 35 -2.923 -16.362 0.281 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -4.586 -16.867 -1.466 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -3.944 -15.214 -1.623 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -3.376 -16.497 -2.718 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -3.180 -18.671 -0.544 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -1.914 -18.373 -1.758 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -1.511 -18.336 -0.025 1.00 0.00 H new ATOM 469 N PRO A 36 1.835 -15.779 -0.679 1.00 0.00 N ATOM 470 CA PRO A 36 3.156 -15.376 -1.172 1.00 0.00 C ATOM 471 C PRO A 36 3.091 -14.753 -2.562 1.00 0.00 C ATOM 472 O PRO A 36 3.973 -13.988 -2.952 1.00 0.00 O ATOM 473 CB PRO A 36 3.936 -16.693 -1.212 1.00 0.00 C ATOM 474 CG PRO A 36 2.894 -17.746 -1.360 1.00 0.00 C ATOM 475 CD PRO A 36 1.687 -17.242 -0.618 1.00 0.00 C ATOM 0 HA PRO A 36 3.612 -14.613 -0.540 1.00 0.00 H new ATOM 0 HB2 PRO A 36 4.639 -16.712 -2.045 1.00 0.00 H new ATOM 0 HB3 PRO A 36 4.517 -16.837 -0.301 1.00 0.00 H new ATOM 0 HG2 PRO A 36 2.662 -17.920 -2.411 1.00 0.00 H new ATOM 0 HG3 PRO A 36 3.237 -18.695 -0.948 1.00 0.00 H new ATOM 0 HD2 PRO A 36 0.760 -17.572 -1.087 1.00 0.00 H new ATOM 0 HD3 PRO A 36 1.669 -17.601 0.411 1.00 0.00 H new ATOM 483 N ASP A 37 2.041 -15.086 -3.306 1.00 0.00 N ATOM 484 CA ASP A 37 1.860 -14.557 -4.653 1.00 0.00 C ATOM 485 C ASP A 37 1.109 -13.230 -4.620 1.00 0.00 C ATOM 486 O ASP A 37 1.334 -12.357 -5.457 1.00 0.00 O ATOM 487 CB ASP A 37 1.104 -15.564 -5.521 1.00 0.00 C ATOM 488 CG ASP A 37 1.045 -15.143 -6.977 1.00 0.00 C ATOM 489 OD1 ASP A 37 0.986 -13.924 -7.239 1.00 0.00 O ATOM 490 OD2 ASP A 37 1.057 -16.034 -7.853 1.00 0.00 O ATOM 0 H ASP A 37 1.303 -15.719 -2.999 1.00 0.00 H new ATOM 0 HA ASP A 37 2.846 -14.384 -5.085 1.00 0.00 H new ATOM 0 HB2 ASP A 37 1.587 -16.538 -5.447 1.00 0.00 H new ATOM 0 HB3 ASP A 37 0.090 -15.681 -5.138 1.00 0.00 H new ATOM 495 N SER A 38 0.215 -13.086 -3.647 1.00 0.00 N ATOM 496 CA SER A 38 -0.574 -11.867 -3.507 1.00 0.00 C ATOM 497 C SER A 38 0.279 -10.634 -3.787 1.00 0.00 C ATOM 498 O SER A 38 1.508 -10.689 -3.740 1.00 0.00 O ATOM 499 CB SER A 38 -1.171 -11.780 -2.102 1.00 0.00 C ATOM 500 OG SER A 38 -2.221 -12.717 -1.934 1.00 0.00 O ATOM 0 H SER A 38 0.019 -13.798 -2.944 1.00 0.00 H new ATOM 0 HA SER A 38 -1.383 -11.901 -4.236 1.00 0.00 H new ATOM 0 HB2 SER A 38 -0.393 -11.964 -1.361 1.00 0.00 H new ATOM 0 HB3 SER A 38 -1.547 -10.772 -1.925 1.00 0.00 H new ATOM 0 HG SER A 38 -2.450 -13.111 -2.802 1.00 0.00 H new ATOM 506 N LYS A 39 -0.382 -9.519 -4.080 1.00 0.00 N ATOM 507 CA LYS A 39 0.312 -8.270 -4.367 1.00 0.00 C ATOM 508 C LYS A 39 -0.369 -7.096 -3.670 1.00 0.00 C ATOM 509 O LYS A 39 -1.493 -7.217 -3.183 1.00 0.00 O ATOM 510 CB LYS A 39 0.357 -8.023 -5.877 1.00 0.00 C ATOM 511 CG LYS A 39 1.160 -9.062 -6.640 1.00 0.00 C ATOM 512 CD LYS A 39 1.505 -8.584 -8.040 1.00 0.00 C ATOM 513 CE LYS A 39 2.830 -7.838 -8.063 1.00 0.00 C ATOM 514 NZ LYS A 39 3.990 -8.764 -7.936 1.00 0.00 N ATOM 0 H LYS A 39 -1.399 -9.455 -4.125 1.00 0.00 H new ATOM 0 HA LYS A 39 1.330 -8.354 -3.988 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -0.662 -8.007 -6.264 1.00 0.00 H new ATOM 0 HB3 LYS A 39 0.784 -7.038 -6.063 1.00 0.00 H new ATOM 0 HG2 LYS A 39 2.077 -9.286 -6.095 1.00 0.00 H new ATOM 0 HG3 LYS A 39 0.591 -9.990 -6.701 1.00 0.00 H new ATOM 0 HD2 LYS A 39 1.555 -9.438 -8.715 1.00 0.00 H new ATOM 0 HD3 LYS A 39 0.713 -7.932 -8.409 1.00 0.00 H new ATOM 0 HE2 LYS A 39 2.914 -7.276 -8.993 1.00 0.00 H new ATOM 0 HE3 LYS A 39 2.853 -7.113 -7.249 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 4.866 -8.257 -8.174 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 4.048 -9.116 -6.959 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 3.867 -9.566 -8.586 1.00 0.00 H new ATOM 528 N VAL A 40 0.320 -5.960 -3.626 1.00 0.00 N ATOM 529 CA VAL A 40 -0.219 -4.764 -2.990 1.00 0.00 C ATOM 530 C VAL A 40 -0.041 -3.540 -3.881 1.00 0.00 C ATOM 531 O VAL A 40 1.081 -3.093 -4.123 1.00 0.00 O ATOM 532 CB VAL A 40 0.454 -4.498 -1.631 1.00 0.00 C ATOM 533 CG1 VAL A 40 -0.103 -3.233 -0.996 1.00 0.00 C ATOM 534 CG2 VAL A 40 0.275 -5.692 -0.705 1.00 0.00 C ATOM 0 H VAL A 40 1.252 -5.843 -4.023 1.00 0.00 H new ATOM 0 HA VAL A 40 -1.282 -4.943 -2.831 1.00 0.00 H new ATOM 0 HB VAL A 40 1.521 -4.352 -1.797 1.00 0.00 H new ATOM 0 HG11 VAL A 40 0.385 -3.062 -0.036 1.00 0.00 H new ATOM 0 HG12 VAL A 40 0.082 -2.384 -1.654 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -1.176 -3.345 -0.842 1.00 0.00 H new ATOM 0 HG21 VAL A 40 0.757 -5.487 0.251 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -0.788 -5.872 -0.544 1.00 0.00 H new ATOM 0 HG23 VAL A 40 0.728 -6.574 -1.157 1.00 0.00 H new ATOM 544 N VAL A 41 -1.154 -3.000 -4.367 1.00 0.00 N ATOM 545 CA VAL A 41 -1.122 -1.826 -5.231 1.00 0.00 C ATOM 546 C VAL A 41 -1.795 -0.633 -4.562 1.00 0.00 C ATOM 547 O VAL A 41 -2.691 -0.797 -3.733 1.00 0.00 O ATOM 548 CB VAL A 41 -1.812 -2.102 -6.580 1.00 0.00 C ATOM 549 CG1 VAL A 41 -1.291 -3.394 -7.191 1.00 0.00 C ATOM 550 CG2 VAL A 41 -3.322 -2.156 -6.404 1.00 0.00 C ATOM 0 H VAL A 41 -2.090 -3.357 -4.177 1.00 0.00 H new ATOM 0 HA VAL A 41 -0.072 -1.594 -5.410 1.00 0.00 H new ATOM 0 HB VAL A 41 -1.578 -1.285 -7.263 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -1.790 -3.573 -8.144 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -0.216 -3.312 -7.354 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -1.493 -4.224 -6.514 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -3.794 -2.352 -7.367 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -3.579 -2.952 -5.706 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -3.677 -1.202 -6.013 1.00 0.00 H new ATOM 560 N PHE A 42 -1.360 0.568 -4.929 1.00 0.00 N ATOM 561 CA PHE A 42 -1.921 1.789 -4.364 1.00 0.00 C ATOM 562 C PHE A 42 -2.872 2.459 -5.352 1.00 0.00 C ATOM 563 O PHE A 42 -2.963 2.055 -6.512 1.00 0.00 O ATOM 564 CB PHE A 42 -0.802 2.759 -3.980 1.00 0.00 C ATOM 565 CG PHE A 42 -0.031 2.333 -2.763 1.00 0.00 C ATOM 566 CD1 PHE A 42 0.733 1.177 -2.780 1.00 0.00 C ATOM 567 CD2 PHE A 42 -0.070 3.088 -1.602 1.00 0.00 C ATOM 568 CE1 PHE A 42 1.443 0.782 -1.662 1.00 0.00 C ATOM 569 CE2 PHE A 42 0.638 2.699 -0.480 1.00 0.00 C ATOM 570 CZ PHE A 42 1.396 1.545 -0.511 1.00 0.00 C ATOM 0 H PHE A 42 -0.621 0.721 -5.615 1.00 0.00 H new ATOM 0 HA PHE A 42 -2.484 1.521 -3.470 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -0.114 2.858 -4.820 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -1.232 3.745 -3.801 1.00 0.00 H new ATOM 0 HD1 PHE A 42 0.774 0.578 -3.678 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -0.661 3.992 -1.573 1.00 0.00 H new ATOM 0 HE1 PHE A 42 2.034 -0.122 -1.688 1.00 0.00 H new ATOM 0 HE2 PHE A 42 0.598 3.296 0.419 1.00 0.00 H new ATOM 0 HZ PHE A 42 1.951 1.239 0.363 1.00 0.00 H new ATOM 580 N ILE A 43 -3.577 3.483 -4.884 1.00 0.00 N ATOM 581 CA ILE A 43 -4.520 4.208 -5.726 1.00 0.00 C ATOM 582 C ILE A 43 -4.568 5.686 -5.352 1.00 0.00 C ATOM 583 O ILE A 43 -4.183 6.068 -4.247 1.00 0.00 O ATOM 584 CB ILE A 43 -5.939 3.618 -5.620 1.00 0.00 C ATOM 585 CG1 ILE A 43 -6.416 3.637 -4.167 1.00 0.00 C ATOM 586 CG2 ILE A 43 -5.965 2.201 -6.173 1.00 0.00 C ATOM 587 CD1 ILE A 43 -7.916 3.505 -4.021 1.00 0.00 C ATOM 0 H ILE A 43 -3.513 3.829 -3.927 1.00 0.00 H new ATOM 0 HA ILE A 43 -4.168 4.106 -6.753 1.00 0.00 H new ATOM 0 HB ILE A 43 -6.617 4.232 -6.213 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -5.933 2.824 -3.624 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -6.094 4.568 -3.700 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -6.974 1.797 -6.091 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -5.663 2.213 -7.220 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -5.277 1.576 -5.604 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -8.182 3.526 -2.964 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -8.406 4.332 -4.535 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -8.243 2.561 -4.458 1.00 0.00 H new ATOM 599 N GLU A 44 -5.043 6.511 -6.280 1.00 0.00 N ATOM 600 CA GLU A 44 -5.141 7.947 -6.046 1.00 0.00 C ATOM 601 C GLU A 44 -6.414 8.513 -6.668 1.00 0.00 C ATOM 602 O GLU A 44 -6.775 8.167 -7.793 1.00 0.00 O ATOM 603 CB GLU A 44 -3.917 8.664 -6.619 1.00 0.00 C ATOM 604 CG GLU A 44 -4.070 10.175 -6.679 1.00 0.00 C ATOM 605 CD GLU A 44 -3.051 10.828 -7.592 1.00 0.00 C ATOM 606 OE1 GLU A 44 -1.881 10.962 -7.176 1.00 0.00 O ATOM 607 OE2 GLU A 44 -3.423 11.206 -8.723 1.00 0.00 O ATOM 0 H GLU A 44 -5.366 6.210 -7.200 1.00 0.00 H new ATOM 0 HA GLU A 44 -5.179 8.113 -4.969 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -3.046 8.419 -6.012 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -3.722 8.287 -7.623 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -5.074 10.421 -7.026 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -3.969 10.587 -5.675 1.00 0.00 H new ATOM 614 N ARG A 45 -7.090 9.386 -5.927 1.00 0.00 N ATOM 615 CA ARG A 45 -8.323 9.999 -6.405 1.00 0.00 C ATOM 616 C ARG A 45 -8.052 11.383 -6.987 1.00 0.00 C ATOM 617 O ARG A 45 -7.420 12.224 -6.348 1.00 0.00 O ATOM 618 CB ARG A 45 -9.340 10.103 -5.267 1.00 0.00 C ATOM 619 CG ARG A 45 -9.918 8.763 -4.842 1.00 0.00 C ATOM 620 CD ARG A 45 -10.317 8.768 -3.374 1.00 0.00 C ATOM 621 NE ARG A 45 -11.243 7.686 -3.055 1.00 0.00 N ATOM 622 CZ ARG A 45 -12.556 7.762 -3.243 1.00 0.00 C ATOM 623 NH1 ARG A 45 -13.093 8.864 -3.747 1.00 0.00 N ATOM 624 NH2 ARG A 45 -13.333 6.734 -2.928 1.00 0.00 N ATOM 0 H ARG A 45 -6.804 9.684 -4.994 1.00 0.00 H new ATOM 0 HA ARG A 45 -8.732 9.366 -7.193 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -8.863 10.573 -4.407 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -10.154 10.758 -5.577 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -10.788 8.530 -5.456 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -9.184 7.977 -5.018 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -9.424 8.675 -2.755 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -10.778 9.724 -3.127 1.00 0.00 H new ATOM 0 HE ARG A 45 -10.861 6.824 -2.666 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -12.498 9.656 -3.991 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -14.101 8.920 -3.891 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -12.923 5.884 -2.541 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -14.341 6.793 -3.073 1.00 0.00 H new ATOM 638 N GLY A 46 -8.535 11.613 -8.204 1.00 0.00 N ATOM 639 CA GLY A 46 -8.334 12.896 -8.852 1.00 0.00 C ATOM 640 C GLY A 46 -9.497 13.843 -8.636 1.00 0.00 C ATOM 641 O GLY A 46 -10.570 13.449 -8.179 1.00 0.00 O ATOM 0 H GLY A 46 -9.062 10.934 -8.753 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -7.421 13.353 -8.470 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -8.190 12.741 -9.921 1.00 0.00 H new ATOM 645 N PRO A 47 -9.289 15.126 -8.967 1.00 0.00 N ATOM 646 CA PRO A 47 -10.318 16.160 -8.814 1.00 0.00 C ATOM 647 C PRO A 47 -11.465 15.987 -9.804 1.00 0.00 C ATOM 648 O PRO A 47 -12.446 16.730 -9.768 1.00 0.00 O ATOM 649 CB PRO A 47 -9.560 17.459 -9.095 1.00 0.00 C ATOM 650 CG PRO A 47 -8.418 17.052 -9.961 1.00 0.00 C ATOM 651 CD PRO A 47 -8.035 15.667 -9.518 1.00 0.00 C ATOM 0 HA PRO A 47 -10.785 16.128 -7.830 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -10.197 18.188 -9.596 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -9.211 17.922 -8.172 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -8.704 17.060 -11.013 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -7.581 17.742 -9.853 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -7.669 15.066 -10.350 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -7.244 15.689 -8.769 1.00 0.00 H new ATOM 659 N ASP A 48 -11.335 15.003 -10.687 1.00 0.00 N ATOM 660 CA ASP A 48 -12.362 14.733 -11.687 1.00 0.00 C ATOM 661 C ASP A 48 -13.431 13.799 -11.128 1.00 0.00 C ATOM 662 O ASP A 48 -14.617 13.951 -11.419 1.00 0.00 O ATOM 663 CB ASP A 48 -11.735 14.119 -12.939 1.00 0.00 C ATOM 664 CG ASP A 48 -12.770 13.515 -13.868 1.00 0.00 C ATOM 665 OD1 ASP A 48 -13.502 14.287 -14.524 1.00 0.00 O ATOM 666 OD2 ASP A 48 -12.848 12.271 -13.940 1.00 0.00 O ATOM 0 H ASP A 48 -10.529 14.379 -10.731 1.00 0.00 H new ATOM 0 HA ASP A 48 -12.834 15.679 -11.953 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -11.174 14.885 -13.474 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -11.022 13.349 -12.644 1.00 0.00 H new ATOM 671 N GLY A 49 -13.003 12.830 -10.324 1.00 0.00 N ATOM 672 CA GLY A 49 -13.935 11.885 -9.738 1.00 0.00 C ATOM 673 C GLY A 49 -13.460 10.451 -9.859 1.00 0.00 C ATOM 674 O GLY A 49 -13.831 9.596 -9.055 1.00 0.00 O ATOM 0 H GLY A 49 -12.027 12.683 -10.068 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -14.081 12.129 -8.686 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -14.905 11.986 -10.226 1.00 0.00 H new ATOM 678 N LYS A 50 -12.638 10.185 -10.869 1.00 0.00 N ATOM 679 CA LYS A 50 -12.110 8.844 -11.094 1.00 0.00 C ATOM 680 C LYS A 50 -10.661 8.745 -10.630 1.00 0.00 C ATOM 681 O LYS A 50 -9.882 9.686 -10.785 1.00 0.00 O ATOM 682 CB LYS A 50 -12.209 8.478 -12.576 1.00 0.00 C ATOM 683 CG LYS A 50 -13.631 8.480 -13.111 1.00 0.00 C ATOM 684 CD LYS A 50 -13.743 7.687 -14.402 1.00 0.00 C ATOM 685 CE LYS A 50 -15.116 7.846 -15.036 1.00 0.00 C ATOM 686 NZ LYS A 50 -16.117 6.925 -14.429 1.00 0.00 N ATOM 0 H LYS A 50 -12.323 10.881 -11.545 1.00 0.00 H new ATOM 0 HA LYS A 50 -12.707 8.142 -10.512 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -11.611 9.181 -13.156 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -11.775 7.490 -12.727 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -14.302 8.057 -12.364 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -13.954 9.507 -13.284 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -12.977 8.020 -15.102 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -13.554 6.633 -14.200 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -15.453 8.876 -14.920 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -15.046 7.652 -16.106 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -17.040 7.064 -14.888 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -15.809 5.941 -14.562 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -16.202 7.126 -13.412 1.00 0.00 H new ATOM 700 N LEU A 51 -10.304 7.598 -10.061 1.00 0.00 N ATOM 701 CA LEU A 51 -8.947 7.375 -9.575 1.00 0.00 C ATOM 702 C LEU A 51 -8.142 6.547 -10.572 1.00 0.00 C ATOM 703 O LEU A 51 -8.651 5.589 -11.151 1.00 0.00 O ATOM 704 CB LEU A 51 -8.979 6.670 -8.218 1.00 0.00 C ATOM 705 CG LEU A 51 -9.916 5.466 -8.109 1.00 0.00 C ATOM 706 CD1 LEU A 51 -9.440 4.337 -9.009 1.00 0.00 C ATOM 707 CD2 LEU A 51 -10.014 4.996 -6.665 1.00 0.00 C ATOM 0 H LEU A 51 -10.936 6.809 -9.925 1.00 0.00 H new ATOM 0 HA LEU A 51 -8.464 8.345 -9.462 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -7.968 6.341 -7.978 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -9.266 7.398 -7.459 1.00 0.00 H new ATOM 0 HG LEU A 51 -10.909 5.771 -8.438 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -10.119 3.489 -8.918 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -9.423 4.679 -10.044 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -8.437 4.032 -8.711 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -10.685 4.139 -6.606 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -9.025 4.708 -6.308 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -10.403 5.804 -6.045 1.00 0.00 H new ATOM 719 N GLN A 52 -6.881 6.923 -10.764 1.00 0.00 N ATOM 720 CA GLN A 52 -6.006 6.214 -11.689 1.00 0.00 C ATOM 721 C GLN A 52 -4.545 6.352 -11.271 1.00 0.00 C ATOM 722 O GLN A 52 -3.936 7.407 -11.449 1.00 0.00 O ATOM 723 CB GLN A 52 -6.193 6.746 -13.111 1.00 0.00 C ATOM 724 CG GLN A 52 -6.086 8.259 -13.214 1.00 0.00 C ATOM 725 CD GLN A 52 -6.530 8.785 -14.565 1.00 0.00 C ATOM 726 OE1 GLN A 52 -6.001 8.388 -15.603 1.00 0.00 O ATOM 727 NE2 GLN A 52 -7.507 9.684 -14.558 1.00 0.00 N ATOM 0 H GLN A 52 -6.444 7.714 -10.291 1.00 0.00 H new ATOM 0 HA GLN A 52 -6.274 5.158 -11.665 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -5.445 6.292 -13.761 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -7.169 6.433 -13.482 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -6.693 8.716 -12.433 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -5.054 8.560 -13.033 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -7.917 9.985 -13.674 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -7.848 10.074 -15.437 1.00 0.00 H new ATOM 736 N TRP A 53 -3.991 5.282 -10.714 1.00 0.00 N ATOM 737 CA TRP A 53 -2.602 5.284 -10.269 1.00 0.00 C ATOM 738 C TRP A 53 -2.013 3.878 -10.317 1.00 0.00 C ATOM 739 O TRP A 53 -2.512 2.965 -9.660 1.00 0.00 O ATOM 740 CB TRP A 53 -2.500 5.845 -8.850 1.00 0.00 C ATOM 741 CG TRP A 53 -1.100 6.198 -8.450 1.00 0.00 C ATOM 742 CD1 TRP A 53 -0.077 6.559 -9.280 1.00 0.00 C ATOM 743 CD2 TRP A 53 -0.568 6.222 -7.121 1.00 0.00 C ATOM 744 NE1 TRP A 53 1.059 6.806 -8.547 1.00 0.00 N ATOM 745 CE2 TRP A 53 0.783 6.607 -7.220 1.00 0.00 C ATOM 746 CE3 TRP A 53 -1.103 5.958 -5.857 1.00 0.00 C ATOM 747 CZ2 TRP A 53 1.605 6.732 -6.102 1.00 0.00 C ATOM 748 CZ3 TRP A 53 -0.286 6.083 -4.749 1.00 0.00 C ATOM 749 CH2 TRP A 53 1.055 6.467 -4.877 1.00 0.00 C ATOM 0 H TRP A 53 -4.482 4.401 -10.559 1.00 0.00 H new ATOM 0 HA TRP A 53 -2.031 5.920 -10.945 1.00 0.00 H new ATOM 0 HB2 TRP A 53 -3.127 6.733 -8.772 1.00 0.00 H new ATOM 0 HB3 TRP A 53 -2.897 5.112 -8.148 1.00 0.00 H new ATOM 0 HD1 TRP A 53 -0.150 6.639 -10.355 1.00 0.00 H new ATOM 0 HE1 TRP A 53 1.961 7.091 -8.929 1.00 0.00 H new ATOM 0 HE3 TRP A 53 -2.136 5.662 -5.748 1.00 0.00 H new ATOM 0 HZ2 TRP A 53 2.639 7.027 -6.199 1.00 0.00 H new ATOM 0 HZ3 TRP A 53 -0.689 5.881 -3.767 1.00 0.00 H new ATOM 0 HH2 TRP A 53 1.667 6.556 -3.992 1.00 0.00 H new ATOM 760 N GLU A 54 -0.950 3.713 -11.098 1.00 0.00 N ATOM 761 CA GLU A 54 -0.295 2.417 -11.230 1.00 0.00 C ATOM 762 C GLU A 54 1.116 2.459 -10.650 1.00 0.00 C ATOM 763 O GLU A 54 2.035 2.999 -11.265 1.00 0.00 O ATOM 764 CB GLU A 54 -0.241 1.996 -12.700 1.00 0.00 C ATOM 765 CG GLU A 54 0.348 0.612 -12.915 1.00 0.00 C ATOM 766 CD GLU A 54 0.554 0.287 -14.382 1.00 0.00 C ATOM 767 OE1 GLU A 54 1.383 0.962 -15.028 1.00 0.00 O ATOM 768 OE2 GLU A 54 -0.113 -0.641 -14.884 1.00 0.00 O ATOM 0 H GLU A 54 -0.525 4.459 -11.648 1.00 0.00 H new ATOM 0 HA GLU A 54 -0.878 1.685 -10.671 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -1.249 2.021 -13.114 1.00 0.00 H new ATOM 0 HB3 GLU A 54 0.350 2.724 -13.256 1.00 0.00 H new ATOM 0 HG2 GLU A 54 1.303 0.543 -12.394 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -0.312 -0.133 -12.471 1.00 0.00 H new ATOM 775 N GLU A 55 1.278 1.885 -9.462 1.00 0.00 N ATOM 776 CA GLU A 55 2.576 1.859 -8.798 1.00 0.00 C ATOM 777 C GLU A 55 2.770 0.552 -8.033 1.00 0.00 C ATOM 778 O GLU A 55 2.106 0.306 -7.027 1.00 0.00 O ATOM 779 CB GLU A 55 2.709 3.046 -7.842 1.00 0.00 C ATOM 780 CG GLU A 55 3.106 4.341 -8.531 1.00 0.00 C ATOM 781 CD GLU A 55 3.870 5.279 -7.616 1.00 0.00 C ATOM 782 OE1 GLU A 55 4.422 4.799 -6.604 1.00 0.00 O ATOM 783 OE2 GLU A 55 3.915 6.491 -7.912 1.00 0.00 O ATOM 0 H GLU A 55 0.528 1.432 -8.940 1.00 0.00 H new ATOM 0 HA GLU A 55 3.348 1.930 -9.564 1.00 0.00 H new ATOM 0 HB2 GLU A 55 1.760 3.195 -7.327 1.00 0.00 H new ATOM 0 HB3 GLU A 55 3.451 2.807 -7.081 1.00 0.00 H new ATOM 0 HG2 GLU A 55 3.719 4.111 -9.403 1.00 0.00 H new ATOM 0 HG3 GLU A 55 2.210 4.844 -8.895 1.00 0.00 H new ATOM 790 N GLU A 56 3.684 -0.282 -8.520 1.00 0.00 N ATOM 791 CA GLU A 56 3.963 -1.563 -7.884 1.00 0.00 C ATOM 792 C GLU A 56 4.914 -1.389 -6.703 1.00 0.00 C ATOM 793 O GLU A 56 5.847 -0.587 -6.757 1.00 0.00 O ATOM 794 CB GLU A 56 4.564 -2.541 -8.896 1.00 0.00 C ATOM 795 CG GLU A 56 4.461 -3.996 -8.473 1.00 0.00 C ATOM 796 CD GLU A 56 5.476 -4.880 -9.170 1.00 0.00 C ATOM 797 OE1 GLU A 56 5.377 -5.039 -10.405 1.00 0.00 O ATOM 798 OE2 GLU A 56 6.371 -5.413 -8.481 1.00 0.00 O ATOM 0 H GLU A 56 4.243 -0.093 -9.352 1.00 0.00 H new ATOM 0 HA GLU A 56 3.021 -1.968 -7.514 1.00 0.00 H new ATOM 0 HB2 GLU A 56 4.060 -2.414 -9.854 1.00 0.00 H new ATOM 0 HB3 GLU A 56 5.613 -2.290 -9.051 1.00 0.00 H new ATOM 0 HG2 GLU A 56 4.602 -4.068 -7.395 1.00 0.00 H new ATOM 0 HG3 GLU A 56 3.457 -4.363 -8.688 1.00 0.00 H new ATOM 805 N ALA A 57 4.671 -2.145 -5.638 1.00 0.00 N ATOM 806 CA ALA A 57 5.506 -2.075 -4.445 1.00 0.00 C ATOM 807 C ALA A 57 6.337 -3.343 -4.282 1.00 0.00 C ATOM 808 O ALA A 57 5.841 -4.453 -4.476 1.00 0.00 O ATOM 809 CB ALA A 57 4.645 -1.845 -3.211 1.00 0.00 C ATOM 0 H ALA A 57 3.903 -2.813 -5.577 1.00 0.00 H new ATOM 0 HA ALA A 57 6.191 -1.235 -4.560 1.00 0.00 H new ATOM 0 HB1 ALA A 57 5.281 -1.795 -2.328 1.00 0.00 H new ATOM 0 HB2 ALA A 57 4.098 -0.908 -3.318 1.00 0.00 H new ATOM 0 HB3 ALA A 57 3.938 -2.667 -3.102 1.00 0.00 H new ATOM 815 N THR A 58 7.606 -3.171 -3.925 1.00 0.00 N ATOM 816 CA THR A 58 8.508 -4.301 -3.738 1.00 0.00 C ATOM 817 C THR A 58 7.989 -5.246 -2.660 1.00 0.00 C ATOM 818 O THR A 58 8.212 -5.027 -1.469 1.00 0.00 O ATOM 819 CB THR A 58 9.924 -3.832 -3.356 1.00 0.00 C ATOM 820 OG1 THR A 58 10.356 -2.799 -4.249 1.00 0.00 O ATOM 821 CG2 THR A 58 10.908 -4.992 -3.400 1.00 0.00 C ATOM 0 H THR A 58 8.033 -2.259 -3.759 1.00 0.00 H new ATOM 0 HA THR A 58 8.553 -4.830 -4.690 1.00 0.00 H new ATOM 0 HB THR A 58 9.892 -3.442 -2.339 1.00 0.00 H new ATOM 0 HG1 THR A 58 11.257 -2.505 -3.998 1.00 0.00 H new ATOM 0 HG21 THR A 58 11.902 -4.637 -3.127 1.00 0.00 H new ATOM 0 HG22 THR A 58 10.592 -5.764 -2.698 1.00 0.00 H new ATOM 0 HG23 THR A 58 10.936 -5.408 -4.407 1.00 0.00 H new ATOM 829 N VAL A 59 7.296 -6.298 -3.085 1.00 0.00 N ATOM 830 CA VAL A 59 6.747 -7.277 -2.155 1.00 0.00 C ATOM 831 C VAL A 59 7.768 -8.363 -1.834 1.00 0.00 C ATOM 832 O VAL A 59 8.284 -9.029 -2.731 1.00 0.00 O ATOM 833 CB VAL A 59 5.475 -7.936 -2.721 1.00 0.00 C ATOM 834 CG1 VAL A 59 4.952 -8.996 -1.764 1.00 0.00 C ATOM 835 CG2 VAL A 59 4.410 -6.886 -3.000 1.00 0.00 C ATOM 0 H VAL A 59 7.102 -6.494 -4.067 1.00 0.00 H new ATOM 0 HA VAL A 59 6.494 -6.739 -1.242 1.00 0.00 H new ATOM 0 HB VAL A 59 5.728 -8.423 -3.663 1.00 0.00 H new ATOM 0 HG11 VAL A 59 4.053 -9.451 -2.181 1.00 0.00 H new ATOM 0 HG12 VAL A 59 5.713 -9.763 -1.619 1.00 0.00 H new ATOM 0 HG13 VAL A 59 4.715 -8.535 -0.805 1.00 0.00 H new ATOM 0 HG21 VAL A 59 3.518 -7.369 -3.399 1.00 0.00 H new ATOM 0 HG22 VAL A 59 4.158 -6.368 -2.074 1.00 0.00 H new ATOM 0 HG23 VAL A 59 4.789 -6.167 -3.726 1.00 0.00 H new ATOM 845 N ASN A 60 8.056 -8.535 -0.548 1.00 0.00 N ATOM 846 CA ASN A 60 9.016 -9.540 -0.107 1.00 0.00 C ATOM 847 C ASN A 60 8.302 -10.783 0.415 1.00 0.00 C ATOM 848 O ASN A 60 7.597 -10.728 1.423 1.00 0.00 O ATOM 849 CB ASN A 60 9.925 -8.965 0.981 1.00 0.00 C ATOM 850 CG ASN A 60 11.273 -9.658 1.035 1.00 0.00 C ATOM 851 OD1 ASN A 60 11.553 -10.557 0.242 1.00 0.00 O ATOM 852 ND2 ASN A 60 12.115 -9.241 1.973 1.00 0.00 N ATOM 0 H ASN A 60 7.638 -7.991 0.207 1.00 0.00 H new ATOM 0 HA ASN A 60 9.624 -9.826 -0.965 1.00 0.00 H new ATOM 0 HB2 ASN A 60 10.074 -7.900 0.801 1.00 0.00 H new ATOM 0 HB3 ASN A 60 9.432 -9.059 1.949 1.00 0.00 H new ATOM 0 HD21 ASN A 60 13.037 -9.669 2.058 1.00 0.00 H new ATOM 0 HD22 ASN A 60 11.840 -8.492 2.609 1.00 0.00 H new ATOM 859 N ARG A 61 8.490 -11.902 -0.277 1.00 0.00 N ATOM 860 CA ARG A 61 7.863 -13.158 0.117 1.00 0.00 C ATOM 861 C ARG A 61 8.561 -13.755 1.335 1.00 0.00 C ATOM 862 O ARG A 61 7.910 -14.203 2.280 1.00 0.00 O ATOM 863 CB ARG A 61 7.897 -14.155 -1.043 1.00 0.00 C ATOM 864 CG ARG A 61 6.681 -14.073 -1.952 1.00 0.00 C ATOM 865 CD ARG A 61 6.807 -12.931 -2.948 1.00 0.00 C ATOM 866 NE ARG A 61 7.733 -13.249 -4.032 1.00 0.00 N ATOM 867 CZ ARG A 61 8.312 -12.330 -4.797 1.00 0.00 C ATOM 868 NH1 ARG A 61 8.062 -11.044 -4.598 1.00 0.00 N ATOM 869 NH2 ARG A 61 9.144 -12.698 -5.763 1.00 0.00 N ATOM 0 H ARG A 61 9.071 -11.964 -1.113 1.00 0.00 H new ATOM 0 HA ARG A 61 6.825 -12.951 0.379 1.00 0.00 H new ATOM 0 HB2 ARG A 61 8.795 -13.980 -1.635 1.00 0.00 H new ATOM 0 HB3 ARG A 61 7.972 -15.165 -0.641 1.00 0.00 H new ATOM 0 HG2 ARG A 61 6.562 -15.014 -2.489 1.00 0.00 H new ATOM 0 HG3 ARG A 61 5.783 -13.934 -1.349 1.00 0.00 H new ATOM 0 HD2 ARG A 61 5.826 -12.704 -3.365 1.00 0.00 H new ATOM 0 HD3 ARG A 61 7.149 -12.035 -2.430 1.00 0.00 H new ATOM 0 HE ARG A 61 7.947 -14.230 -4.211 1.00 0.00 H new ATOM 0 HH11 ARG A 61 7.424 -10.757 -3.856 1.00 0.00 H new ATOM 0 HH12 ARG A 61 8.508 -10.341 -5.187 1.00 0.00 H new ATOM 0 HH21 ARG A 61 9.339 -13.687 -5.919 1.00 0.00 H new ATOM 0 HH22 ARG A 61 9.588 -11.992 -6.350 1.00 0.00 H new ATOM 883 N LEU A 62 9.889 -13.760 1.306 1.00 0.00 N ATOM 884 CA LEU A 62 10.677 -14.303 2.408 1.00 0.00 C ATOM 885 C LEU A 62 10.238 -13.702 3.739 1.00 0.00 C ATOM 886 O LEU A 62 10.099 -14.411 4.735 1.00 0.00 O ATOM 887 CB LEU A 62 12.165 -14.032 2.179 1.00 0.00 C ATOM 888 CG LEU A 62 12.902 -15.039 1.296 1.00 0.00 C ATOM 889 CD1 LEU A 62 14.179 -14.427 0.741 1.00 0.00 C ATOM 890 CD2 LEU A 62 13.213 -16.307 2.077 1.00 0.00 C ATOM 0 H LEU A 62 10.443 -13.394 0.532 1.00 0.00 H new ATOM 0 HA LEU A 62 10.512 -15.380 2.444 1.00 0.00 H new ATOM 0 HB2 LEU A 62 12.269 -13.043 1.733 1.00 0.00 H new ATOM 0 HB3 LEU A 62 12.661 -13.998 3.149 1.00 0.00 H new ATOM 0 HG LEU A 62 12.254 -15.301 0.459 1.00 0.00 H new ATOM 0 HD11 LEU A 62 14.691 -15.158 0.115 1.00 0.00 H new ATOM 0 HD12 LEU A 62 13.932 -13.548 0.145 1.00 0.00 H new ATOM 0 HD13 LEU A 62 14.831 -14.136 1.565 1.00 0.00 H new ATOM 0 HD21 LEU A 62 13.738 -17.012 1.432 1.00 0.00 H new ATOM 0 HD22 LEU A 62 13.841 -16.062 2.933 1.00 0.00 H new ATOM 0 HD23 LEU A 62 12.283 -16.757 2.426 1.00 0.00 H new ATOM 902 N GLN A 63 10.018 -12.391 3.747 1.00 0.00 N ATOM 903 CA GLN A 63 9.593 -11.695 4.956 1.00 0.00 C ATOM 904 C GLN A 63 8.105 -11.909 5.212 1.00 0.00 C ATOM 905 O GLN A 63 7.690 -12.168 6.342 1.00 0.00 O ATOM 906 CB GLN A 63 9.893 -10.200 4.842 1.00 0.00 C ATOM 907 CG GLN A 63 11.282 -9.819 5.330 1.00 0.00 C ATOM 908 CD GLN A 63 11.319 -9.531 6.818 1.00 0.00 C ATOM 909 OE1 GLN A 63 10.727 -10.257 7.617 1.00 0.00 O ATOM 910 NE2 GLN A 63 12.016 -8.467 7.198 1.00 0.00 N ATOM 0 H GLN A 63 10.127 -11.790 2.930 1.00 0.00 H new ATOM 0 HA GLN A 63 10.151 -12.107 5.797 1.00 0.00 H new ATOM 0 HB2 GLN A 63 9.786 -9.895 3.801 1.00 0.00 H new ATOM 0 HB3 GLN A 63 9.151 -9.644 5.415 1.00 0.00 H new ATOM 0 HG2 GLN A 63 11.977 -10.627 5.103 1.00 0.00 H new ATOM 0 HG3 GLN A 63 11.626 -8.940 4.785 1.00 0.00 H new ATOM 0 HE21 GLN A 63 12.491 -7.893 6.501 1.00 0.00 H new ATOM 0 HE22 GLN A 63 12.076 -8.223 8.187 1.00 0.00 H new ATOM 919 N SER A 64 7.306 -11.799 4.155 1.00 0.00 N ATOM 920 CA SER A 64 5.863 -11.976 4.267 1.00 0.00 C ATOM 921 C SER A 64 5.523 -13.393 4.720 1.00 0.00 C ATOM 922 O SER A 64 6.163 -14.359 4.307 1.00 0.00 O ATOM 923 CB SER A 64 5.187 -11.681 2.926 1.00 0.00 C ATOM 924 OG SER A 64 5.312 -12.780 2.039 1.00 0.00 O ATOM 0 H SER A 64 7.633 -11.588 3.212 1.00 0.00 H new ATOM 0 HA SER A 64 5.492 -11.275 5.015 1.00 0.00 H new ATOM 0 HB2 SER A 64 4.132 -11.459 3.088 1.00 0.00 H new ATOM 0 HB3 SER A 64 5.634 -10.794 2.477 1.00 0.00 H new ATOM 0 HG SER A 64 6.127 -13.281 2.251 1.00 0.00 H new ATOM 930 N ASN A 65 4.510 -13.507 5.573 1.00 0.00 N ATOM 931 CA ASN A 65 4.084 -14.804 6.084 1.00 0.00 C ATOM 932 C ASN A 65 2.582 -14.997 5.896 1.00 0.00 C ATOM 933 O ASN A 65 1.877 -14.080 5.474 1.00 0.00 O ATOM 934 CB ASN A 65 4.444 -14.936 7.565 1.00 0.00 C ATOM 935 CG ASN A 65 4.273 -16.353 8.078 1.00 0.00 C ATOM 936 OD1 ASN A 65 5.017 -17.257 7.698 1.00 0.00 O ATOM 937 ND2 ASN A 65 3.288 -16.552 8.947 1.00 0.00 N ATOM 0 H ASN A 65 3.969 -12.717 5.925 1.00 0.00 H new ATOM 0 HA ASN A 65 4.605 -15.577 5.520 1.00 0.00 H new ATOM 0 HB2 ASN A 65 5.477 -14.621 7.715 1.00 0.00 H new ATOM 0 HB3 ASN A 65 3.817 -14.263 8.150 1.00 0.00 H new ATOM 0 HD21 ASN A 65 3.124 -17.484 9.327 1.00 0.00 H new ATOM 0 HD22 ASN A 65 2.696 -15.773 9.234 1.00 0.00 H new ATOM 944 N GLU A 66 2.100 -16.195 6.212 1.00 0.00 N ATOM 945 CA GLU A 66 0.682 -16.507 6.077 1.00 0.00 C ATOM 946 C GLU A 66 -0.178 -15.420 6.717 1.00 0.00 C ATOM 947 O GLU A 66 -1.342 -15.243 6.360 1.00 0.00 O ATOM 948 CB GLU A 66 0.372 -17.861 6.718 1.00 0.00 C ATOM 949 CG GLU A 66 -1.028 -18.371 6.417 1.00 0.00 C ATOM 950 CD GLU A 66 -1.555 -19.298 7.495 1.00 0.00 C ATOM 951 OE1 GLU A 66 -1.656 -18.859 8.659 1.00 0.00 O ATOM 952 OE2 GLU A 66 -1.867 -20.464 7.173 1.00 0.00 O ATOM 0 H GLU A 66 2.670 -16.965 6.563 1.00 0.00 H new ATOM 0 HA GLU A 66 0.446 -16.554 5.014 1.00 0.00 H new ATOM 0 HB2 GLU A 66 1.099 -18.594 6.369 1.00 0.00 H new ATOM 0 HB3 GLU A 66 0.495 -17.779 7.798 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -1.704 -17.523 6.310 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -1.022 -18.897 5.462 1.00 0.00 H new ATOM 959 N VAL A 67 0.405 -14.696 7.667 1.00 0.00 N ATOM 960 CA VAL A 67 -0.305 -13.627 8.358 1.00 0.00 C ATOM 961 C VAL A 67 0.534 -12.355 8.413 1.00 0.00 C ATOM 962 O VAL A 67 0.432 -11.571 9.357 1.00 0.00 O ATOM 963 CB VAL A 67 -0.685 -14.040 9.792 1.00 0.00 C ATOM 964 CG1 VAL A 67 -1.650 -15.216 9.771 1.00 0.00 C ATOM 965 CG2 VAL A 67 0.561 -14.377 10.597 1.00 0.00 C ATOM 0 H VAL A 67 1.368 -14.831 7.976 1.00 0.00 H new ATOM 0 HA VAL A 67 -1.215 -13.434 7.790 1.00 0.00 H new ATOM 0 HB VAL A 67 -1.185 -13.199 10.273 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -1.907 -15.494 10.793 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -2.555 -14.934 9.233 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -1.180 -16.063 9.272 1.00 0.00 H new ATOM 0 HG21 VAL A 67 0.274 -14.667 11.608 1.00 0.00 H new ATOM 0 HG22 VAL A 67 1.090 -15.202 10.120 1.00 0.00 H new ATOM 0 HG23 VAL A 67 1.213 -13.504 10.641 1.00 0.00 H new ATOM 975 N THR A 68 1.364 -12.156 7.394 1.00 0.00 N ATOM 976 CA THR A 68 2.222 -10.980 7.326 1.00 0.00 C ATOM 977 C THR A 68 2.586 -10.648 5.883 1.00 0.00 C ATOM 978 O THR A 68 2.858 -11.540 5.079 1.00 0.00 O ATOM 979 CB THR A 68 3.516 -11.181 8.136 1.00 0.00 C ATOM 980 OG1 THR A 68 3.200 -11.443 9.508 1.00 0.00 O ATOM 981 CG2 THR A 68 4.410 -9.953 8.043 1.00 0.00 C ATOM 0 H THR A 68 1.460 -12.794 6.604 1.00 0.00 H new ATOM 0 HA THR A 68 1.658 -10.152 7.756 1.00 0.00 H new ATOM 0 HB THR A 68 4.051 -12.033 7.717 1.00 0.00 H new ATOM 0 HG1 THR A 68 4.028 -11.571 10.016 1.00 0.00 H new ATOM 0 HG21 THR A 68 5.318 -10.119 8.623 1.00 0.00 H new ATOM 0 HG22 THR A 68 4.673 -9.773 7.001 1.00 0.00 H new ATOM 0 HG23 THR A 68 3.880 -9.086 8.438 1.00 0.00 H new ATOM 989 N LEU A 69 2.591 -9.359 5.561 1.00 0.00 N ATOM 990 CA LEU A 69 2.922 -8.908 4.214 1.00 0.00 C ATOM 991 C LEU A 69 3.934 -7.767 4.255 1.00 0.00 C ATOM 992 O LEU A 69 3.585 -6.623 4.548 1.00 0.00 O ATOM 993 CB LEU A 69 1.658 -8.457 3.480 1.00 0.00 C ATOM 994 CG LEU A 69 0.918 -9.539 2.693 1.00 0.00 C ATOM 995 CD1 LEU A 69 -0.385 -8.992 2.130 1.00 0.00 C ATOM 996 CD2 LEU A 69 1.797 -10.082 1.575 1.00 0.00 C ATOM 0 H LEU A 69 2.370 -8.608 6.214 1.00 0.00 H new ATOM 0 HA LEU A 69 3.367 -9.745 3.677 1.00 0.00 H new ATOM 0 HB2 LEU A 69 0.970 -8.032 4.211 1.00 0.00 H new ATOM 0 HB3 LEU A 69 1.928 -7.656 2.792 1.00 0.00 H new ATOM 0 HG LEU A 69 0.682 -10.358 3.373 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -0.898 -9.776 1.573 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -1.021 -8.652 2.948 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -0.171 -8.155 1.465 1.00 0.00 H new ATOM 0 HD21 LEU A 69 1.254 -10.851 1.026 1.00 0.00 H new ATOM 0 HD22 LEU A 69 2.064 -9.272 0.896 1.00 0.00 H new ATOM 0 HD23 LEU A 69 2.703 -10.512 2.001 1.00 0.00 H new ATOM 1008 N THR A 70 5.190 -8.086 3.958 1.00 0.00 N ATOM 1009 CA THR A 70 6.253 -7.089 3.960 1.00 0.00 C ATOM 1010 C THR A 70 6.497 -6.543 2.557 1.00 0.00 C ATOM 1011 O THR A 70 6.789 -7.298 1.629 1.00 0.00 O ATOM 1012 CB THR A 70 7.569 -7.671 4.509 1.00 0.00 C ATOM 1013 OG1 THR A 70 7.341 -8.278 5.785 1.00 0.00 O ATOM 1014 CG2 THR A 70 8.628 -6.586 4.639 1.00 0.00 C ATOM 0 H THR A 70 5.496 -9.028 3.713 1.00 0.00 H new ATOM 0 HA THR A 70 5.925 -6.278 4.610 1.00 0.00 H new ATOM 0 HB THR A 70 7.928 -8.424 3.808 1.00 0.00 H new ATOM 0 HG1 THR A 70 8.004 -7.949 6.427 1.00 0.00 H new ATOM 0 HG21 THR A 70 9.548 -7.021 5.029 1.00 0.00 H new ATOM 0 HG22 THR A 70 8.820 -6.146 3.660 1.00 0.00 H new ATOM 0 HG23 THR A 70 8.275 -5.813 5.321 1.00 0.00 H new ATOM 1022 N LEU A 71 6.377 -5.228 2.410 1.00 0.00 N ATOM 1023 CA LEU A 71 6.587 -4.581 1.119 1.00 0.00 C ATOM 1024 C LEU A 71 7.261 -3.224 1.294 1.00 0.00 C ATOM 1025 O LEU A 71 7.208 -2.625 2.368 1.00 0.00 O ATOM 1026 CB LEU A 71 5.253 -4.410 0.390 1.00 0.00 C ATOM 1027 CG LEU A 71 4.216 -3.527 1.085 1.00 0.00 C ATOM 1028 CD1 LEU A 71 3.223 -2.974 0.075 1.00 0.00 C ATOM 1029 CD2 LEU A 71 3.494 -4.307 2.174 1.00 0.00 C ATOM 0 H LEU A 71 6.136 -4.589 3.168 1.00 0.00 H new ATOM 0 HA LEU A 71 7.241 -5.217 0.523 1.00 0.00 H new ATOM 0 HB2 LEU A 71 5.452 -3.993 -0.597 1.00 0.00 H new ATOM 0 HB3 LEU A 71 4.816 -5.397 0.237 1.00 0.00 H new ATOM 0 HG LEU A 71 4.735 -2.689 1.550 1.00 0.00 H new ATOM 0 HD11 LEU A 71 2.493 -2.348 0.588 1.00 0.00 H new ATOM 0 HD12 LEU A 71 3.753 -2.378 -0.668 1.00 0.00 H new ATOM 0 HD13 LEU A 71 2.710 -3.799 -0.420 1.00 0.00 H new ATOM 0 HD21 LEU A 71 2.760 -3.662 2.657 1.00 0.00 H new ATOM 0 HD22 LEU A 71 2.988 -5.165 1.732 1.00 0.00 H new ATOM 0 HD23 LEU A 71 4.216 -4.653 2.914 1.00 0.00 H new ATOM 1041 N THR A 72 7.895 -2.743 0.229 1.00 0.00 N ATOM 1042 CA THR A 72 8.579 -1.456 0.263 1.00 0.00 C ATOM 1043 C THR A 72 7.681 -0.342 -0.261 1.00 0.00 C ATOM 1044 O THR A 72 7.417 -0.256 -1.460 1.00 0.00 O ATOM 1045 CB THR A 72 9.876 -1.488 -0.567 1.00 0.00 C ATOM 1046 OG1 THR A 72 10.685 -2.601 -0.169 1.00 0.00 O ATOM 1047 CG2 THR A 72 10.661 -0.196 -0.393 1.00 0.00 C ATOM 0 H THR A 72 7.949 -3.226 -0.668 1.00 0.00 H new ATOM 0 HA THR A 72 8.828 -1.258 1.305 1.00 0.00 H new ATOM 0 HB THR A 72 9.607 -1.593 -1.618 1.00 0.00 H new ATOM 0 HG1 THR A 72 11.507 -2.615 -0.703 1.00 0.00 H new ATOM 0 HG21 THR A 72 11.573 -0.241 -0.988 1.00 0.00 H new ATOM 0 HG22 THR A 72 10.053 0.646 -0.724 1.00 0.00 H new ATOM 0 HG23 THR A 72 10.920 -0.066 0.658 1.00 0.00 H new ATOM 1055 N VAL A 73 7.214 0.511 0.645 1.00 0.00 N ATOM 1056 CA VAL A 73 6.346 1.622 0.274 1.00 0.00 C ATOM 1057 C VAL A 73 6.906 2.379 -0.925 1.00 0.00 C ATOM 1058 O VAL A 73 8.032 2.878 -0.906 1.00 0.00 O ATOM 1059 CB VAL A 73 6.160 2.605 1.445 1.00 0.00 C ATOM 1060 CG1 VAL A 73 5.278 3.772 1.028 1.00 0.00 C ATOM 1061 CG2 VAL A 73 5.573 1.888 2.652 1.00 0.00 C ATOM 0 H VAL A 73 7.422 0.454 1.642 1.00 0.00 H new ATOM 0 HA VAL A 73 5.379 1.194 0.012 1.00 0.00 H new ATOM 0 HB VAL A 73 7.137 3.001 1.724 1.00 0.00 H new ATOM 0 HG11 VAL A 73 5.158 4.456 1.868 1.00 0.00 H new ATOM 0 HG12 VAL A 73 5.742 4.299 0.195 1.00 0.00 H new ATOM 0 HG13 VAL A 73 4.301 3.398 0.722 1.00 0.00 H new ATOM 0 HG21 VAL A 73 5.448 2.597 3.471 1.00 0.00 H new ATOM 0 HG22 VAL A 73 4.604 1.464 2.388 1.00 0.00 H new ATOM 0 HG23 VAL A 73 6.246 1.089 2.963 1.00 0.00 H new ATOM 1071 N PRO A 74 6.102 2.469 -1.996 1.00 0.00 N ATOM 1072 CA PRO A 74 6.496 3.165 -3.224 1.00 0.00 C ATOM 1073 C PRO A 74 6.575 4.676 -3.035 1.00 0.00 C ATOM 1074 O PRO A 74 6.151 5.205 -2.008 1.00 0.00 O ATOM 1075 CB PRO A 74 5.378 2.808 -4.208 1.00 0.00 C ATOM 1076 CG PRO A 74 4.198 2.510 -3.348 1.00 0.00 C ATOM 1077 CD PRO A 74 4.748 1.899 -2.088 1.00 0.00 C ATOM 0 HA PRO A 74 7.490 2.868 -3.559 1.00 0.00 H new ATOM 0 HB2 PRO A 74 5.173 3.633 -4.890 1.00 0.00 H new ATOM 0 HB3 PRO A 74 5.649 1.948 -4.820 1.00 0.00 H new ATOM 0 HG2 PRO A 74 3.636 3.418 -3.128 1.00 0.00 H new ATOM 0 HG3 PRO A 74 3.514 1.824 -3.848 1.00 0.00 H new ATOM 0 HD2 PRO A 74 4.143 2.157 -1.219 1.00 0.00 H new ATOM 0 HD3 PRO A 74 4.773 0.811 -2.147 1.00 0.00 H new ATOM 1085 N GLU A 75 7.121 5.365 -4.032 1.00 0.00 N ATOM 1086 CA GLU A 75 7.256 6.816 -3.973 1.00 0.00 C ATOM 1087 C GLU A 75 6.089 7.500 -4.678 1.00 0.00 C ATOM 1088 O GLU A 75 5.879 7.316 -5.877 1.00 0.00 O ATOM 1089 CB GLU A 75 8.577 7.254 -4.609 1.00 0.00 C ATOM 1090 CG GLU A 75 8.561 8.684 -5.123 1.00 0.00 C ATOM 1091 CD GLU A 75 9.941 9.313 -5.142 1.00 0.00 C ATOM 1092 OE1 GLU A 75 10.613 9.298 -4.090 1.00 0.00 O ATOM 1093 OE2 GLU A 75 10.348 9.820 -6.208 1.00 0.00 O ATOM 0 H GLU A 75 7.477 4.942 -4.889 1.00 0.00 H new ATOM 0 HA GLU A 75 7.250 7.113 -2.924 1.00 0.00 H new ATOM 0 HB2 GLU A 75 9.376 7.150 -3.875 1.00 0.00 H new ATOM 0 HB3 GLU A 75 8.813 6.583 -5.435 1.00 0.00 H new ATOM 0 HG2 GLU A 75 8.145 8.699 -6.130 1.00 0.00 H new ATOM 0 HG3 GLU A 75 7.901 9.284 -4.496 1.00 0.00 H new ATOM 1100 N TYR A 76 5.331 8.290 -3.925 1.00 0.00 N ATOM 1101 CA TYR A 76 4.183 8.999 -4.475 1.00 0.00 C ATOM 1102 C TYR A 76 4.574 9.782 -5.725 1.00 0.00 C ATOM 1103 O TYR A 76 5.706 10.249 -5.850 1.00 0.00 O ATOM 1104 CB TYR A 76 3.593 9.948 -3.430 1.00 0.00 C ATOM 1105 CG TYR A 76 2.347 10.665 -3.897 1.00 0.00 C ATOM 1106 CD1 TYR A 76 1.310 9.971 -4.509 1.00 0.00 C ATOM 1107 CD2 TYR A 76 2.207 12.037 -3.728 1.00 0.00 C ATOM 1108 CE1 TYR A 76 0.170 10.622 -4.938 1.00 0.00 C ATOM 1109 CE2 TYR A 76 1.070 12.696 -4.153 1.00 0.00 C ATOM 1110 CZ TYR A 76 0.054 11.985 -4.758 1.00 0.00 C ATOM 1111 OH TYR A 76 -1.079 12.638 -5.184 1.00 0.00 O ATOM 0 H TYR A 76 5.492 8.455 -2.931 1.00 0.00 H new ATOM 0 HA TYR A 76 3.431 8.260 -4.751 1.00 0.00 H new ATOM 0 HB2 TYR A 76 3.360 9.382 -2.528 1.00 0.00 H new ATOM 0 HB3 TYR A 76 4.346 10.687 -3.156 1.00 0.00 H new ATOM 0 HD1 TYR A 76 1.397 8.904 -4.652 1.00 0.00 H new ATOM 0 HD2 TYR A 76 3.001 12.598 -3.256 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -0.626 10.067 -5.412 1.00 0.00 H new ATOM 0 HE2 TYR A 76 0.977 13.763 -4.012 1.00 0.00 H new ATOM 0 HH TYR A 76 -1.487 12.138 -5.921 1.00 0.00 H new ATOM 1121 N SER A 77 3.628 9.921 -6.648 1.00 0.00 N ATOM 1122 CA SER A 77 3.873 10.644 -7.891 1.00 0.00 C ATOM 1123 C SER A 77 4.429 12.036 -7.609 1.00 0.00 C ATOM 1124 O SER A 77 5.511 12.390 -8.074 1.00 0.00 O ATOM 1125 CB SER A 77 2.582 10.754 -8.705 1.00 0.00 C ATOM 1126 OG SER A 77 2.764 11.581 -9.841 1.00 0.00 O ATOM 0 H SER A 77 2.685 9.543 -6.559 1.00 0.00 H new ATOM 0 HA SER A 77 4.611 10.086 -8.467 1.00 0.00 H new ATOM 0 HB2 SER A 77 2.262 9.761 -9.022 1.00 0.00 H new ATOM 0 HB3 SER A 77 1.787 11.160 -8.079 1.00 0.00 H new ATOM 0 HG SER A 77 2.604 12.516 -9.594 1.00 0.00 H new ATOM 1132 N ASN A 78 3.679 12.822 -6.842 1.00 0.00 N ATOM 1133 CA ASN A 78 4.096 14.177 -6.498 1.00 0.00 C ATOM 1134 C ASN A 78 5.022 14.169 -5.285 1.00 0.00 C ATOM 1135 O ASN A 78 4.647 13.708 -4.206 1.00 0.00 O ATOM 1136 CB ASN A 78 2.874 15.052 -6.214 1.00 0.00 C ATOM 1137 CG ASN A 78 1.996 15.232 -7.438 1.00 0.00 C ATOM 1138 OD1 ASN A 78 2.173 14.552 -8.448 1.00 0.00 O ATOM 1139 ND2 ASN A 78 1.042 16.153 -7.351 1.00 0.00 N ATOM 0 H ASN A 78 2.780 12.544 -6.447 1.00 0.00 H new ATOM 0 HA ASN A 78 4.641 14.590 -7.347 1.00 0.00 H new ATOM 0 HB2 ASN A 78 2.288 14.604 -5.412 1.00 0.00 H new ATOM 0 HB3 ASN A 78 3.204 16.029 -5.860 1.00 0.00 H new ATOM 0 HD21 ASN A 78 0.420 16.319 -8.142 1.00 0.00 H new ATOM 0 HD22 ASN A 78 0.932 16.694 -6.493 1.00 0.00 H new ATOM 1146 N LYS A 79 6.233 14.682 -5.469 1.00 0.00 N ATOM 1147 CA LYS A 79 7.213 14.737 -4.391 1.00 0.00 C ATOM 1148 C LYS A 79 7.430 16.173 -3.925 1.00 0.00 C ATOM 1149 O LYS A 79 7.702 16.420 -2.750 1.00 0.00 O ATOM 1150 CB LYS A 79 8.542 14.133 -4.851 1.00 0.00 C ATOM 1151 CG LYS A 79 8.584 12.617 -4.766 1.00 0.00 C ATOM 1152 CD LYS A 79 9.099 12.149 -3.416 1.00 0.00 C ATOM 1153 CE LYS A 79 10.595 12.388 -3.277 1.00 0.00 C ATOM 1154 NZ LYS A 79 10.990 12.627 -1.861 1.00 0.00 N ATOM 0 H LYS A 79 6.560 15.066 -6.356 1.00 0.00 H new ATOM 0 HA LYS A 79 6.827 14.156 -3.553 1.00 0.00 H new ATOM 0 HB2 LYS A 79 8.732 14.436 -5.881 1.00 0.00 H new ATOM 0 HB3 LYS A 79 9.348 14.545 -4.244 1.00 0.00 H new ATOM 0 HG2 LYS A 79 7.585 12.214 -4.935 1.00 0.00 H new ATOM 0 HG3 LYS A 79 9.224 12.225 -5.557 1.00 0.00 H new ATOM 0 HD2 LYS A 79 8.570 12.675 -2.621 1.00 0.00 H new ATOM 0 HD3 LYS A 79 8.886 11.087 -3.292 1.00 0.00 H new ATOM 0 HE2 LYS A 79 11.138 11.526 -3.665 1.00 0.00 H new ATOM 0 HE3 LYS A 79 10.884 13.246 -3.884 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 12.005 12.434 -1.747 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 10.795 13.617 -1.609 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 10.445 11.997 -1.238 1.00 0.00 H new ATOM 1168 N ARG A 80 7.306 17.117 -4.853 1.00 0.00 N ATOM 1169 CA ARG A 80 7.488 18.528 -4.536 1.00 0.00 C ATOM 1170 C ARG A 80 6.202 19.130 -3.976 1.00 0.00 C ATOM 1171 O ARG A 80 5.715 20.148 -4.468 1.00 0.00 O ATOM 1172 CB ARG A 80 7.924 19.300 -5.783 1.00 0.00 C ATOM 1173 CG ARG A 80 6.945 19.192 -6.940 1.00 0.00 C ATOM 1174 CD ARG A 80 7.421 19.983 -8.149 1.00 0.00 C ATOM 1175 NE ARG A 80 6.582 19.749 -9.321 1.00 0.00 N ATOM 1176 CZ ARG A 80 6.685 18.675 -10.096 1.00 0.00 C ATOM 1177 NH1 ARG A 80 7.586 17.741 -9.825 1.00 0.00 N ATOM 1178 NH2 ARG A 80 5.885 18.534 -11.145 1.00 0.00 N ATOM 0 H ARG A 80 7.080 16.930 -5.830 1.00 0.00 H new ATOM 0 HA ARG A 80 8.266 18.607 -3.777 1.00 0.00 H new ATOM 0 HB2 ARG A 80 8.052 20.351 -5.523 1.00 0.00 H new ATOM 0 HB3 ARG A 80 8.897 18.931 -6.106 1.00 0.00 H new ATOM 0 HG2 ARG A 80 6.820 18.145 -7.215 1.00 0.00 H new ATOM 0 HG3 ARG A 80 5.967 19.558 -6.626 1.00 0.00 H new ATOM 0 HD2 ARG A 80 7.421 21.046 -7.909 1.00 0.00 H new ATOM 0 HD3 ARG A 80 8.450 19.708 -8.379 1.00 0.00 H new ATOM 0 HE ARG A 80 5.878 20.448 -9.558 1.00 0.00 H new ATOM 0 HH11 ARG A 80 8.203 17.846 -9.019 1.00 0.00 H new ATOM 0 HH12 ARG A 80 7.662 16.918 -10.422 1.00 0.00 H new ATOM 0 HH21 ARG A 80 5.191 19.250 -11.357 1.00 0.00 H new ATOM 0 HH22 ARG A 80 5.964 17.709 -11.740 1.00 0.00 H new ATOM 1192 N VAL A 81 5.657 18.493 -2.945 1.00 0.00 N ATOM 1193 CA VAL A 81 4.428 18.965 -2.318 1.00 0.00 C ATOM 1194 C VAL A 81 4.678 19.396 -0.877 1.00 0.00 C ATOM 1195 O VAL A 81 5.324 18.684 -0.108 1.00 0.00 O ATOM 1196 CB VAL A 81 3.336 17.879 -2.335 1.00 0.00 C ATOM 1197 CG1 VAL A 81 2.882 17.601 -3.760 1.00 0.00 C ATOM 1198 CG2 VAL A 81 3.839 16.607 -1.670 1.00 0.00 C ATOM 0 H VAL A 81 6.047 17.649 -2.526 1.00 0.00 H new ATOM 0 HA VAL A 81 4.086 19.823 -2.897 1.00 0.00 H new ATOM 0 HB VAL A 81 2.478 18.242 -1.770 1.00 0.00 H new ATOM 0 HG11 VAL A 81 2.110 16.831 -3.752 1.00 0.00 H new ATOM 0 HG12 VAL A 81 2.479 18.514 -4.198 1.00 0.00 H new ATOM 0 HG13 VAL A 81 3.731 17.258 -4.352 1.00 0.00 H new ATOM 0 HG21 VAL A 81 3.054 15.851 -1.691 1.00 0.00 H new ATOM 0 HG22 VAL A 81 4.713 16.238 -2.206 1.00 0.00 H new ATOM 0 HG23 VAL A 81 4.110 16.820 -0.636 1.00 0.00 H new ATOM 1208 N SER A 82 4.161 20.566 -0.517 1.00 0.00 N ATOM 1209 CA SER A 82 4.330 21.095 0.831 1.00 0.00 C ATOM 1210 C SER A 82 3.364 20.424 1.803 1.00 0.00 C ATOM 1211 O SER A 82 3.606 20.386 3.009 1.00 0.00 O ATOM 1212 CB SER A 82 4.111 22.609 0.840 1.00 0.00 C ATOM 1213 OG SER A 82 4.031 23.105 2.164 1.00 0.00 O ATOM 0 H SER A 82 3.621 21.166 -1.141 1.00 0.00 H new ATOM 0 HA SER A 82 5.349 20.881 1.153 1.00 0.00 H new ATOM 0 HB2 SER A 82 4.929 23.101 0.313 1.00 0.00 H new ATOM 0 HB3 SER A 82 3.194 22.850 0.302 1.00 0.00 H new ATOM 0 HG SER A 82 3.892 24.075 2.142 1.00 0.00 H new ATOM 1219 N ARG A 83 2.268 19.896 1.268 1.00 0.00 N ATOM 1220 CA ARG A 83 1.263 19.228 2.086 1.00 0.00 C ATOM 1221 C ARG A 83 1.229 17.731 1.790 1.00 0.00 C ATOM 1222 O ARG A 83 1.539 17.284 0.686 1.00 0.00 O ATOM 1223 CB ARG A 83 -0.117 19.839 1.838 1.00 0.00 C ATOM 1224 CG ARG A 83 -0.185 21.329 2.133 1.00 0.00 C ATOM 1225 CD ARG A 83 -1.615 21.842 2.080 1.00 0.00 C ATOM 1226 NE ARG A 83 -1.993 22.270 0.736 1.00 0.00 N ATOM 1227 CZ ARG A 83 -2.998 23.102 0.485 1.00 0.00 C ATOM 1228 NH1 ARG A 83 -3.721 23.593 1.481 1.00 0.00 N ATOM 1229 NH2 ARG A 83 -3.281 23.444 -0.766 1.00 0.00 N ATOM 0 H ARG A 83 2.053 19.918 0.271 1.00 0.00 H new ATOM 0 HA ARG A 83 1.531 19.368 3.133 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -0.399 19.670 0.799 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -0.851 19.321 2.456 1.00 0.00 H new ATOM 0 HG2 ARG A 83 0.237 21.526 3.119 1.00 0.00 H new ATOM 0 HG3 ARG A 83 0.425 21.872 1.411 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -2.294 21.058 2.415 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -1.726 22.677 2.771 1.00 0.00 H new ATOM 0 HE ARG A 83 -1.456 21.911 -0.053 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -3.507 23.332 2.444 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -4.492 24.232 1.285 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -2.727 23.068 -1.535 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -4.053 24.083 -0.958 1.00 0.00 H new ATOM 1243 N PRO A 84 0.843 16.937 2.800 1.00 0.00 N ATOM 1244 CA PRO A 84 0.759 15.479 2.673 1.00 0.00 C ATOM 1245 C PRO A 84 -0.383 15.042 1.762 1.00 0.00 C ATOM 1246 O PRO A 84 -1.325 15.798 1.524 1.00 0.00 O ATOM 1247 CB PRO A 84 0.508 15.011 4.108 1.00 0.00 C ATOM 1248 CG PRO A 84 -0.137 16.175 4.778 1.00 0.00 C ATOM 1249 CD PRO A 84 0.459 17.401 4.144 1.00 0.00 C ATOM 0 HA PRO A 84 1.658 15.056 2.224 1.00 0.00 H new ATOM 0 HB2 PRO A 84 -0.138 14.133 4.131 1.00 0.00 H new ATOM 0 HB3 PRO A 84 1.439 14.735 4.603 1.00 0.00 H new ATOM 0 HG2 PRO A 84 -1.218 16.153 4.643 1.00 0.00 H new ATOM 0 HG3 PRO A 84 0.051 16.160 5.852 1.00 0.00 H new ATOM 0 HD2 PRO A 84 -0.260 18.219 4.097 1.00 0.00 H new ATOM 0 HD3 PRO A 84 1.320 17.765 4.705 1.00 0.00 H new ATOM 1257 N VAL A 85 -0.294 13.816 1.255 1.00 0.00 N ATOM 1258 CA VAL A 85 -1.321 13.277 0.372 1.00 0.00 C ATOM 1259 C VAL A 85 -1.925 12.000 0.946 1.00 0.00 C ATOM 1260 O VAL A 85 -1.204 11.065 1.296 1.00 0.00 O ATOM 1261 CB VAL A 85 -0.757 12.981 -1.030 1.00 0.00 C ATOM 1262 CG1 VAL A 85 -1.846 12.431 -1.939 1.00 0.00 C ATOM 1263 CG2 VAL A 85 -0.134 14.233 -1.628 1.00 0.00 C ATOM 0 H VAL A 85 0.479 13.177 1.441 1.00 0.00 H new ATOM 0 HA VAL A 85 -2.098 14.037 0.289 1.00 0.00 H new ATOM 0 HB VAL A 85 0.022 12.224 -0.937 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -1.429 12.228 -2.925 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -2.242 11.508 -1.515 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -2.649 13.163 -2.029 1.00 0.00 H new ATOM 0 HG21 VAL A 85 0.260 14.006 -2.619 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -0.891 15.013 -1.708 1.00 0.00 H new ATOM 0 HG23 VAL A 85 0.676 14.578 -0.986 1.00 0.00 H new ATOM 1273 N GLN A 86 -3.250 11.968 1.039 1.00 0.00 N ATOM 1274 CA GLN A 86 -3.950 10.804 1.570 1.00 0.00 C ATOM 1275 C GLN A 86 -4.334 9.842 0.451 1.00 0.00 C ATOM 1276 O GLN A 86 -5.211 10.135 -0.361 1.00 0.00 O ATOM 1277 CB GLN A 86 -5.201 11.241 2.335 1.00 0.00 C ATOM 1278 CG GLN A 86 -5.939 10.090 3.000 1.00 0.00 C ATOM 1279 CD GLN A 86 -6.392 9.037 2.009 1.00 0.00 C ATOM 1280 OE1 GLN A 86 -7.147 9.326 1.080 1.00 0.00 O ATOM 1281 NE2 GLN A 86 -5.934 7.806 2.202 1.00 0.00 N ATOM 0 H GLN A 86 -3.860 12.734 0.754 1.00 0.00 H new ATOM 0 HA GLN A 86 -3.277 10.287 2.253 1.00 0.00 H new ATOM 0 HB2 GLN A 86 -4.916 11.968 3.096 1.00 0.00 H new ATOM 0 HB3 GLN A 86 -5.879 11.748 1.648 1.00 0.00 H new ATOM 0 HG2 GLN A 86 -5.289 9.628 3.743 1.00 0.00 H new ATOM 0 HG3 GLN A 86 -6.807 10.479 3.533 1.00 0.00 H new ATOM 0 HE21 GLN A 86 -5.310 7.611 2.985 1.00 0.00 H new ATOM 0 HE22 GLN A 86 -6.206 7.055 1.567 1.00 0.00 H new ATOM 1290 N VAL A 87 -3.671 8.690 0.414 1.00 0.00 N ATOM 1291 CA VAL A 87 -3.943 7.684 -0.605 1.00 0.00 C ATOM 1292 C VAL A 87 -4.406 6.375 0.025 1.00 0.00 C ATOM 1293 O VAL A 87 -4.266 6.171 1.231 1.00 0.00 O ATOM 1294 CB VAL A 87 -2.699 7.411 -1.471 1.00 0.00 C ATOM 1295 CG1 VAL A 87 -2.297 8.663 -2.237 1.00 0.00 C ATOM 1296 CG2 VAL A 87 -1.549 6.912 -0.610 1.00 0.00 C ATOM 0 H VAL A 87 -2.942 8.431 1.078 1.00 0.00 H new ATOM 0 HA VAL A 87 -4.737 8.081 -1.237 1.00 0.00 H new ATOM 0 HB VAL A 87 -2.945 6.634 -2.194 1.00 0.00 H new ATOM 0 HG11 VAL A 87 -1.416 8.451 -2.843 1.00 0.00 H new ATOM 0 HG12 VAL A 87 -3.117 8.973 -2.884 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -2.069 9.463 -1.533 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -0.679 6.724 -1.239 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -1.301 7.665 0.138 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -1.842 5.988 -0.111 1.00 0.00 H new ATOM 1306 N TYR A 88 -4.958 5.491 -0.798 1.00 0.00 N ATOM 1307 CA TYR A 88 -5.444 4.202 -0.322 1.00 0.00 C ATOM 1308 C TYR A 88 -4.793 3.056 -1.090 1.00 0.00 C ATOM 1309 O TYR A 88 -4.284 3.244 -2.196 1.00 0.00 O ATOM 1310 CB TYR A 88 -6.965 4.124 -0.460 1.00 0.00 C ATOM 1311 CG TYR A 88 -7.711 4.850 0.636 1.00 0.00 C ATOM 1312 CD1 TYR A 88 -7.992 6.206 0.532 1.00 0.00 C ATOM 1313 CD2 TYR A 88 -8.136 4.179 1.777 1.00 0.00 C ATOM 1314 CE1 TYR A 88 -8.673 6.874 1.532 1.00 0.00 C ATOM 1315 CE2 TYR A 88 -8.818 4.838 2.781 1.00 0.00 C ATOM 1316 CZ TYR A 88 -9.084 6.186 2.654 1.00 0.00 C ATOM 1317 OH TYR A 88 -9.763 6.847 3.651 1.00 0.00 O ATOM 0 H TYR A 88 -5.080 5.644 -1.799 1.00 0.00 H new ATOM 0 HA TYR A 88 -5.176 4.108 0.730 1.00 0.00 H new ATOM 0 HB2 TYR A 88 -7.256 4.542 -1.424 1.00 0.00 H new ATOM 0 HB3 TYR A 88 -7.268 3.077 -0.462 1.00 0.00 H new ATOM 0 HD1 TYR A 88 -7.673 6.748 -0.346 1.00 0.00 H new ATOM 0 HD2 TYR A 88 -7.929 3.124 1.880 1.00 0.00 H new ATOM 0 HE1 TYR A 88 -8.882 7.929 1.435 1.00 0.00 H new ATOM 0 HE2 TYR A 88 -9.141 4.301 3.661 1.00 0.00 H new ATOM 0 HH TYR A 88 -9.981 6.218 4.370 1.00 0.00 H new ATOM 1327 N PHE A 89 -4.813 1.867 -0.497 1.00 0.00 N ATOM 1328 CA PHE A 89 -4.224 0.689 -1.124 1.00 0.00 C ATOM 1329 C PHE A 89 -4.962 -0.578 -0.701 1.00 0.00 C ATOM 1330 O PHE A 89 -5.507 -0.654 0.401 1.00 0.00 O ATOM 1331 CB PHE A 89 -2.743 0.576 -0.757 1.00 0.00 C ATOM 1332 CG PHE A 89 -2.490 0.586 0.723 1.00 0.00 C ATOM 1333 CD1 PHE A 89 -2.877 -0.484 1.513 1.00 0.00 C ATOM 1334 CD2 PHE A 89 -1.864 1.666 1.325 1.00 0.00 C ATOM 1335 CE1 PHE A 89 -2.645 -0.477 2.876 1.00 0.00 C ATOM 1336 CE2 PHE A 89 -1.629 1.678 2.688 1.00 0.00 C ATOM 1337 CZ PHE A 89 -2.020 0.605 3.463 1.00 0.00 C ATOM 0 H PHE A 89 -5.231 1.693 0.417 1.00 0.00 H new ATOM 0 HA PHE A 89 -4.316 0.799 -2.205 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -2.341 -0.345 -1.180 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -2.199 1.402 -1.216 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -3.366 -1.333 1.059 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -1.556 2.508 0.723 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -2.952 -1.317 3.481 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -1.140 2.526 3.145 1.00 0.00 H new ATOM 0 HZ PHE A 89 -1.837 0.612 4.527 1.00 0.00 H new ATOM 1347 N TYR A 90 -4.977 -1.569 -1.585 1.00 0.00 N ATOM 1348 CA TYR A 90 -5.650 -2.832 -1.306 1.00 0.00 C ATOM 1349 C TYR A 90 -4.731 -4.015 -1.595 1.00 0.00 C ATOM 1350 O TYR A 90 -3.655 -3.854 -2.171 1.00 0.00 O ATOM 1351 CB TYR A 90 -6.927 -2.948 -2.141 1.00 0.00 C ATOM 1352 CG TYR A 90 -6.680 -2.922 -3.632 1.00 0.00 C ATOM 1353 CD1 TYR A 90 -6.415 -1.729 -4.292 1.00 0.00 C ATOM 1354 CD2 TYR A 90 -6.710 -4.092 -4.382 1.00 0.00 C ATOM 1355 CE1 TYR A 90 -6.189 -1.700 -5.655 1.00 0.00 C ATOM 1356 CE2 TYR A 90 -6.485 -4.073 -5.745 1.00 0.00 C ATOM 1357 CZ TYR A 90 -6.225 -2.875 -6.376 1.00 0.00 C ATOM 1358 OH TYR A 90 -5.999 -2.851 -7.734 1.00 0.00 O ATOM 0 H TYR A 90 -4.531 -1.522 -2.501 1.00 0.00 H new ATOM 0 HA TYR A 90 -5.912 -2.849 -0.248 1.00 0.00 H new ATOM 0 HB2 TYR A 90 -7.437 -3.876 -1.882 1.00 0.00 H new ATOM 0 HB3 TYR A 90 -7.598 -2.131 -1.878 1.00 0.00 H new ATOM 0 HD1 TYR A 90 -6.385 -0.807 -3.730 1.00 0.00 H new ATOM 0 HD2 TYR A 90 -6.913 -5.032 -3.891 1.00 0.00 H new ATOM 0 HE1 TYR A 90 -5.985 -0.763 -6.152 1.00 0.00 H new ATOM 0 HE2 TYR A 90 -6.513 -4.991 -6.313 1.00 0.00 H new ATOM 0 HH TYR A 90 -6.059 -3.761 -8.092 1.00 0.00 H new ATOM 1368 N VAL A 91 -5.164 -5.205 -1.190 1.00 0.00 N ATOM 1369 CA VAL A 91 -4.382 -6.416 -1.406 1.00 0.00 C ATOM 1370 C VAL A 91 -5.130 -7.402 -2.296 1.00 0.00 C ATOM 1371 O VAL A 91 -6.338 -7.590 -2.153 1.00 0.00 O ATOM 1372 CB VAL A 91 -4.037 -7.106 -0.073 1.00 0.00 C ATOM 1373 CG1 VAL A 91 -3.344 -8.437 -0.324 1.00 0.00 C ATOM 1374 CG2 VAL A 91 -3.170 -6.199 0.787 1.00 0.00 C ATOM 0 H VAL A 91 -6.052 -5.356 -0.711 1.00 0.00 H new ATOM 0 HA VAL A 91 -3.459 -6.113 -1.900 1.00 0.00 H new ATOM 0 HB VAL A 91 -4.964 -7.302 0.465 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -3.108 -8.910 0.629 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -4.003 -9.088 -0.898 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -2.424 -8.268 -0.883 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -2.936 -6.702 1.725 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -2.245 -5.970 0.257 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -3.707 -5.274 0.996 1.00 0.00 H new ATOM 1384 N SER A 92 -4.404 -8.029 -3.216 1.00 0.00 N ATOM 1385 CA SER A 92 -5.000 -8.994 -4.133 1.00 0.00 C ATOM 1386 C SER A 92 -4.743 -10.422 -3.662 1.00 0.00 C ATOM 1387 O SER A 92 -3.600 -10.875 -3.613 1.00 0.00 O ATOM 1388 CB SER A 92 -4.439 -8.802 -5.544 1.00 0.00 C ATOM 1389 OG SER A 92 -4.743 -9.913 -6.369 1.00 0.00 O ATOM 0 H SER A 92 -3.402 -7.886 -3.346 1.00 0.00 H new ATOM 0 HA SER A 92 -6.077 -8.824 -4.151 1.00 0.00 H new ATOM 0 HB2 SER A 92 -4.854 -7.895 -5.983 1.00 0.00 H new ATOM 0 HB3 SER A 92 -3.359 -8.667 -5.494 1.00 0.00 H new ATOM 0 HG SER A 92 -4.375 -9.765 -7.265 1.00 0.00 H new ATOM 1395 N ASN A 93 -5.816 -11.126 -3.315 1.00 0.00 N ATOM 1396 CA ASN A 93 -5.708 -12.503 -2.847 1.00 0.00 C ATOM 1397 C ASN A 93 -6.641 -13.419 -3.632 1.00 0.00 C ATOM 1398 O ASN A 93 -7.851 -13.431 -3.407 1.00 0.00 O ATOM 1399 CB ASN A 93 -6.034 -12.582 -1.354 1.00 0.00 C ATOM 1400 CG ASN A 93 -4.883 -12.114 -0.485 1.00 0.00 C ATOM 1401 OD1 ASN A 93 -4.185 -11.157 -0.822 1.00 0.00 O ATOM 1402 ND2 ASN A 93 -4.678 -12.789 0.640 1.00 0.00 N ATOM 0 H ASN A 93 -6.770 -10.766 -3.349 1.00 0.00 H new ATOM 0 HA ASN A 93 -4.683 -12.836 -3.007 1.00 0.00 H new ATOM 0 HB2 ASN A 93 -6.914 -11.974 -1.145 1.00 0.00 H new ATOM 0 HB3 ASN A 93 -6.287 -13.610 -1.094 1.00 0.00 H new ATOM 0 HD21 ASN A 93 -3.917 -12.521 1.264 1.00 0.00 H new ATOM 0 HD22 ASN A 93 -5.281 -13.576 0.880 1.00 0.00 H new ATOM 1409 N GLY A 94 -6.070 -14.187 -4.555 1.00 0.00 N ATOM 1410 CA GLY A 94 -6.864 -15.097 -5.359 1.00 0.00 C ATOM 1411 C GLY A 94 -7.038 -14.610 -6.784 1.00 0.00 C ATOM 1412 O GLY A 94 -6.059 -14.321 -7.472 1.00 0.00 O ATOM 0 H GLY A 94 -5.071 -14.195 -4.760 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -6.388 -16.078 -5.369 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -7.844 -15.223 -4.899 1.00 0.00 H new ATOM 1416 N ARG A 95 -8.287 -14.520 -7.229 1.00 0.00 N ATOM 1417 CA ARG A 95 -8.586 -14.068 -8.582 1.00 0.00 C ATOM 1418 C ARG A 95 -9.636 -12.961 -8.567 1.00 0.00 C ATOM 1419 O ARG A 95 -9.514 -11.966 -9.281 1.00 0.00 O ATOM 1420 CB ARG A 95 -9.075 -15.238 -9.438 1.00 0.00 C ATOM 1421 CG ARG A 95 -10.347 -15.886 -8.913 1.00 0.00 C ATOM 1422 CD ARG A 95 -10.723 -17.114 -9.727 1.00 0.00 C ATOM 1423 NE ARG A 95 -12.059 -17.601 -9.397 1.00 0.00 N ATOM 1424 CZ ARG A 95 -12.490 -18.822 -9.693 1.00 0.00 C ATOM 1425 NH1 ARG A 95 -11.694 -19.676 -10.321 1.00 0.00 N ATOM 1426 NH2 ARG A 95 -13.720 -19.192 -9.359 1.00 0.00 N ATOM 0 H ARG A 95 -9.109 -14.754 -6.672 1.00 0.00 H new ATOM 0 HA ARG A 95 -7.669 -13.669 -9.015 1.00 0.00 H new ATOM 0 HB2 ARG A 95 -9.249 -14.886 -10.455 1.00 0.00 H new ATOM 0 HB3 ARG A 95 -8.289 -15.991 -9.492 1.00 0.00 H new ATOM 0 HG2 ARG A 95 -10.209 -16.168 -7.869 1.00 0.00 H new ATOM 0 HG3 ARG A 95 -11.163 -15.164 -8.943 1.00 0.00 H new ATOM 0 HD2 ARG A 95 -10.677 -16.873 -10.789 1.00 0.00 H new ATOM 0 HD3 ARG A 95 -9.994 -17.905 -9.548 1.00 0.00 H new ATOM 0 HE ARG A 95 -12.696 -16.969 -8.913 1.00 0.00 H new ATOM 0 HH11 ARG A 95 -10.747 -19.396 -10.578 1.00 0.00 H new ATOM 0 HH12 ARG A 95 -12.028 -20.613 -10.547 1.00 0.00 H new ATOM 0 HH21 ARG A 95 -14.335 -18.538 -8.875 1.00 0.00 H new ATOM 0 HH22 ARG A 95 -14.050 -20.130 -9.587 1.00 0.00 H new ATOM 1440 N ARG A 96 -10.667 -13.142 -7.748 1.00 0.00 N ATOM 1441 CA ARG A 96 -11.739 -12.160 -7.640 1.00 0.00 C ATOM 1442 C ARG A 96 -11.786 -11.558 -6.239 1.00 0.00 C ATOM 1443 O ARG A 96 -12.198 -10.412 -6.057 1.00 0.00 O ATOM 1444 CB ARG A 96 -13.085 -12.805 -7.976 1.00 0.00 C ATOM 1445 CG ARG A 96 -13.399 -12.821 -9.463 1.00 0.00 C ATOM 1446 CD ARG A 96 -13.680 -11.422 -9.988 1.00 0.00 C ATOM 1447 NE ARG A 96 -14.238 -11.446 -11.338 1.00 0.00 N ATOM 1448 CZ ARG A 96 -14.143 -10.431 -12.190 1.00 0.00 C ATOM 1449 NH1 ARG A 96 -13.516 -9.318 -11.834 1.00 0.00 N ATOM 1450 NH2 ARG A 96 -14.676 -10.528 -13.401 1.00 0.00 N ATOM 0 H ARG A 96 -10.782 -13.960 -7.149 1.00 0.00 H new ATOM 0 HA ARG A 96 -11.539 -11.360 -8.353 1.00 0.00 H new ATOM 0 HB2 ARG A 96 -13.091 -13.828 -7.601 1.00 0.00 H new ATOM 0 HB3 ARG A 96 -13.876 -12.269 -7.452 1.00 0.00 H new ATOM 0 HG2 ARG A 96 -12.560 -13.254 -10.008 1.00 0.00 H new ATOM 0 HG3 ARG A 96 -14.263 -13.460 -9.647 1.00 0.00 H new ATOM 0 HD2 ARG A 96 -14.375 -10.916 -9.318 1.00 0.00 H new ATOM 0 HD3 ARG A 96 -12.757 -10.842 -9.987 1.00 0.00 H new ATOM 0 HE ARG A 96 -14.727 -12.288 -11.643 1.00 0.00 H new ATOM 0 HH11 ARG A 96 -13.105 -9.239 -10.904 1.00 0.00 H new ATOM 0 HH12 ARG A 96 -13.445 -8.541 -12.490 1.00 0.00 H new ATOM 0 HH21 ARG A 96 -15.159 -11.382 -13.679 1.00 0.00 H new ATOM 0 HH22 ARG A 96 -14.603 -9.748 -14.054 1.00 0.00 H new ATOM 1464 N LYS A 97 -11.363 -12.339 -5.251 1.00 0.00 N ATOM 1465 CA LYS A 97 -11.356 -11.885 -3.865 1.00 0.00 C ATOM 1466 C LYS A 97 -10.385 -10.723 -3.679 1.00 0.00 C ATOM 1467 O LYS A 97 -9.211 -10.820 -4.035 1.00 0.00 O ATOM 1468 CB LYS A 97 -10.976 -13.036 -2.931 1.00 0.00 C ATOM 1469 CG LYS A 97 -12.035 -14.121 -2.841 1.00 0.00 C ATOM 1470 CD LYS A 97 -11.827 -15.192 -3.899 1.00 0.00 C ATOM 1471 CE LYS A 97 -12.411 -16.527 -3.462 1.00 0.00 C ATOM 1472 NZ LYS A 97 -12.672 -17.424 -4.622 1.00 0.00 N ATOM 0 H LYS A 97 -11.020 -13.290 -5.384 1.00 0.00 H new ATOM 0 HA LYS A 97 -12.360 -11.541 -3.616 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -10.042 -13.479 -3.276 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -10.790 -12.637 -1.934 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -12.008 -14.576 -1.851 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -13.023 -13.677 -2.961 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -12.293 -14.878 -4.833 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -10.761 -15.307 -4.097 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -11.723 -17.016 -2.772 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -13.340 -16.357 -2.918 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -13.069 -18.323 -4.283 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -13.348 -16.968 -5.268 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -11.781 -17.608 -5.126 1.00 0.00 H new ATOM 1486 N ARG A 98 -10.883 -9.626 -3.118 1.00 0.00 N ATOM 1487 CA ARG A 98 -10.059 -8.446 -2.884 1.00 0.00 C ATOM 1488 C ARG A 98 -10.085 -8.048 -1.411 1.00 0.00 C ATOM 1489 O ARG A 98 -10.950 -8.489 -0.654 1.00 0.00 O ATOM 1490 CB ARG A 98 -10.545 -7.280 -3.747 1.00 0.00 C ATOM 1491 CG ARG A 98 -9.428 -6.360 -4.211 1.00 0.00 C ATOM 1492 CD ARG A 98 -9.924 -4.935 -4.404 1.00 0.00 C ATOM 1493 NE ARG A 98 -10.413 -4.705 -5.761 1.00 0.00 N ATOM 1494 CZ ARG A 98 -10.898 -3.541 -6.180 1.00 0.00 C ATOM 1495 NH1 ARG A 98 -10.958 -2.508 -5.352 1.00 0.00 N ATOM 1496 NH2 ARG A 98 -11.324 -3.410 -7.429 1.00 0.00 N ATOM 0 H ARG A 98 -11.853 -9.530 -2.817 1.00 0.00 H new ATOM 0 HA ARG A 98 -9.033 -8.690 -3.158 1.00 0.00 H new ATOM 0 HB2 ARG A 98 -11.064 -7.676 -4.620 1.00 0.00 H new ATOM 0 HB3 ARG A 98 -11.272 -6.698 -3.181 1.00 0.00 H new ATOM 0 HG2 ARG A 98 -8.620 -6.369 -3.479 1.00 0.00 H new ATOM 0 HG3 ARG A 98 -9.014 -6.732 -5.148 1.00 0.00 H new ATOM 0 HD2 ARG A 98 -10.723 -4.729 -3.691 1.00 0.00 H new ATOM 0 HD3 ARG A 98 -9.115 -4.237 -4.187 1.00 0.00 H new ATOM 0 HE ARG A 98 -10.380 -5.480 -6.423 1.00 0.00 H new ATOM 0 HH11 ARG A 98 -10.631 -2.605 -4.391 1.00 0.00 H new ATOM 0 HH12 ARG A 98 -11.331 -1.616 -5.676 1.00 0.00 H new ATOM 0 HH21 ARG A 98 -11.280 -4.203 -8.069 1.00 0.00 H new ATOM 0 HH22 ARG A 98 -11.696 -2.516 -7.750 1.00 0.00 H new ATOM 1510 N SER A 99 -9.130 -7.214 -1.012 1.00 0.00 N ATOM 1511 CA SER A 99 -9.041 -6.760 0.371 1.00 0.00 C ATOM 1512 C SER A 99 -9.518 -5.317 0.501 1.00 0.00 C ATOM 1513 O SER A 99 -9.459 -4.529 -0.443 1.00 0.00 O ATOM 1514 CB SER A 99 -7.602 -6.880 0.877 1.00 0.00 C ATOM 1515 OG SER A 99 -7.318 -5.888 1.848 1.00 0.00 O ATOM 0 H SER A 99 -8.407 -6.839 -1.626 1.00 0.00 H new ATOM 0 HA SER A 99 -9.687 -7.394 0.978 1.00 0.00 H new ATOM 0 HB2 SER A 99 -7.446 -7.869 1.307 1.00 0.00 H new ATOM 0 HB3 SER A 99 -6.910 -6.783 0.041 1.00 0.00 H new ATOM 0 HG SER A 99 -6.393 -5.987 2.156 1.00 0.00 H new ATOM 1521 N PRO A 100 -10.005 -4.962 1.700 1.00 0.00 N ATOM 1522 CA PRO A 100 -10.502 -3.612 1.984 1.00 0.00 C ATOM 1523 C PRO A 100 -9.383 -2.578 2.022 1.00 0.00 C ATOM 1524 O PRO A 100 -8.378 -2.760 2.711 1.00 0.00 O ATOM 1525 CB PRO A 100 -11.146 -3.755 3.365 1.00 0.00 C ATOM 1526 CG PRO A 100 -10.443 -4.909 3.993 1.00 0.00 C ATOM 1527 CD PRO A 100 -10.106 -5.850 2.870 1.00 0.00 C ATOM 0 HA PRO A 100 -11.187 -3.259 1.213 1.00 0.00 H new ATOM 0 HB2 PRO A 100 -11.022 -2.847 3.955 1.00 0.00 H new ATOM 0 HB3 PRO A 100 -12.217 -3.940 3.285 1.00 0.00 H new ATOM 0 HG2 PRO A 100 -9.542 -4.582 4.511 1.00 0.00 H new ATOM 0 HG3 PRO A 100 -11.077 -5.396 4.733 1.00 0.00 H new ATOM 0 HD2 PRO A 100 -9.171 -6.378 3.055 1.00 0.00 H new ATOM 0 HD3 PRO A 100 -10.878 -6.607 2.735 1.00 0.00 H new ATOM 1535 N THR A 101 -9.562 -1.491 1.278 1.00 0.00 N ATOM 1536 CA THR A 101 -8.567 -0.427 1.227 1.00 0.00 C ATOM 1537 C THR A 101 -8.266 0.112 2.621 1.00 0.00 C ATOM 1538 O THR A 101 -9.067 -0.042 3.542 1.00 0.00 O ATOM 1539 CB THR A 101 -9.032 0.735 0.329 1.00 0.00 C ATOM 1540 OG1 THR A 101 -10.180 1.369 0.904 1.00 0.00 O ATOM 1541 CG2 THR A 101 -9.368 0.237 -1.069 1.00 0.00 C ATOM 0 H THR A 101 -10.387 -1.324 0.702 1.00 0.00 H new ATOM 0 HA THR A 101 -7.661 -0.862 0.805 1.00 0.00 H new ATOM 0 HB THR A 101 -8.218 1.456 0.255 1.00 0.00 H new ATOM 0 HG1 THR A 101 -9.921 2.236 1.281 1.00 0.00 H new ATOM 0 HG21 THR A 101 -9.694 1.075 -1.685 1.00 0.00 H new ATOM 0 HG22 THR A 101 -8.484 -0.219 -1.515 1.00 0.00 H new ATOM 0 HG23 THR A 101 -10.167 -0.502 -1.010 1.00 0.00 H new ATOM 1549 N GLN A 102 -7.106 0.745 2.768 1.00 0.00 N ATOM 1550 CA GLN A 102 -6.700 1.307 4.051 1.00 0.00 C ATOM 1551 C GLN A 102 -6.393 2.795 3.920 1.00 0.00 C ATOM 1552 O GLN A 102 -5.848 3.240 2.910 1.00 0.00 O ATOM 1553 CB GLN A 102 -5.476 0.566 4.591 1.00 0.00 C ATOM 1554 CG GLN A 102 -5.730 -0.906 4.872 1.00 0.00 C ATOM 1555 CD GLN A 102 -7.053 -1.147 5.572 1.00 0.00 C ATOM 1556 OE1 GLN A 102 -7.439 -0.396 6.469 1.00 0.00 O ATOM 1557 NE2 GLN A 102 -7.756 -2.198 5.166 1.00 0.00 N ATOM 0 H GLN A 102 -6.431 0.881 2.015 1.00 0.00 H new ATOM 0 HA GLN A 102 -7.527 1.186 4.751 1.00 0.00 H new ATOM 0 HB2 GLN A 102 -4.662 0.655 3.872 1.00 0.00 H new ATOM 0 HB3 GLN A 102 -5.144 1.051 5.509 1.00 0.00 H new ATOM 0 HG2 GLN A 102 -5.714 -1.459 3.933 1.00 0.00 H new ATOM 0 HG3 GLN A 102 -4.921 -1.299 5.487 1.00 0.00 H new ATOM 0 HE21 GLN A 102 -7.398 -2.793 4.419 1.00 0.00 H new ATOM 0 HE22 GLN A 102 -8.654 -2.410 5.601 1.00 0.00 H new ATOM 1566 N SER A 103 -6.746 3.559 4.949 1.00 0.00 N ATOM 1567 CA SER A 103 -6.511 4.998 4.947 1.00 0.00 C ATOM 1568 C SER A 103 -5.042 5.310 5.217 1.00 0.00 C ATOM 1569 O SER A 103 -4.579 5.238 6.355 1.00 0.00 O ATOM 1570 CB SER A 103 -7.390 5.681 5.997 1.00 0.00 C ATOM 1571 OG SER A 103 -7.114 5.182 7.295 1.00 0.00 O ATOM 0 H SER A 103 -7.195 3.206 5.794 1.00 0.00 H new ATOM 0 HA SER A 103 -6.770 5.382 3.960 1.00 0.00 H new ATOM 0 HB2 SER A 103 -7.220 6.757 5.974 1.00 0.00 H new ATOM 0 HB3 SER A 103 -8.441 5.519 5.757 1.00 0.00 H new ATOM 0 HG SER A 103 -6.154 5.007 7.381 1.00 0.00 H new ATOM 1577 N PHE A 104 -4.314 5.655 4.160 1.00 0.00 N ATOM 1578 CA PHE A 104 -2.897 5.977 4.281 1.00 0.00 C ATOM 1579 C PHE A 104 -2.621 7.404 3.816 1.00 0.00 C ATOM 1580 O PHE A 104 -3.394 7.978 3.049 1.00 0.00 O ATOM 1581 CB PHE A 104 -2.057 4.992 3.465 1.00 0.00 C ATOM 1582 CG PHE A 104 -0.691 4.747 4.041 1.00 0.00 C ATOM 1583 CD1 PHE A 104 -0.534 3.978 5.183 1.00 0.00 C ATOM 1584 CD2 PHE A 104 0.435 5.286 3.441 1.00 0.00 C ATOM 1585 CE1 PHE A 104 0.721 3.753 5.715 1.00 0.00 C ATOM 1586 CE2 PHE A 104 1.693 5.064 3.968 1.00 0.00 C ATOM 1587 CZ PHE A 104 1.836 4.295 5.106 1.00 0.00 C ATOM 0 H PHE A 104 -4.682 5.719 3.211 1.00 0.00 H new ATOM 0 HA PHE A 104 -2.621 5.896 5.332 1.00 0.00 H new ATOM 0 HB2 PHE A 104 -2.589 4.043 3.397 1.00 0.00 H new ATOM 0 HB3 PHE A 104 -1.951 5.372 2.449 1.00 0.00 H new ATOM 0 HD1 PHE A 104 -1.402 3.550 5.662 1.00 0.00 H new ATOM 0 HD2 PHE A 104 0.328 5.887 2.550 1.00 0.00 H new ATOM 0 HE1 PHE A 104 0.830 3.154 6.607 1.00 0.00 H new ATOM 0 HE2 PHE A 104 2.563 5.491 3.491 1.00 0.00 H new ATOM 0 HZ PHE A 104 2.818 4.118 5.519 1.00 0.00 H new ATOM 1597 N ARG A 105 -1.515 7.970 4.288 1.00 0.00 N ATOM 1598 CA ARG A 105 -1.138 9.330 3.923 1.00 0.00 C ATOM 1599 C ARG A 105 0.380 9.490 3.916 1.00 0.00 C ATOM 1600 O ARG A 105 1.080 8.906 4.743 1.00 0.00 O ATOM 1601 CB ARG A 105 -1.763 10.334 4.894 1.00 0.00 C ATOM 1602 CG ARG A 105 -1.488 11.784 4.531 1.00 0.00 C ATOM 1603 CD ARG A 105 -1.916 12.727 5.645 1.00 0.00 C ATOM 1604 NE ARG A 105 -1.221 12.446 6.898 1.00 0.00 N ATOM 1605 CZ ARG A 105 -1.644 11.558 7.790 1.00 0.00 C ATOM 1606 NH1 ARG A 105 -2.754 10.868 7.568 1.00 0.00 N ATOM 1607 NH2 ARG A 105 -0.956 11.358 8.907 1.00 0.00 N ATOM 0 H ARG A 105 -0.865 7.508 4.924 1.00 0.00 H new ATOM 0 HA ARG A 105 -1.512 9.526 2.918 1.00 0.00 H new ATOM 0 HB2 ARG A 105 -2.841 10.174 4.925 1.00 0.00 H new ATOM 0 HB3 ARG A 105 -1.383 10.141 5.897 1.00 0.00 H new ATOM 0 HG2 ARG A 105 -0.425 11.915 4.330 1.00 0.00 H new ATOM 0 HG3 ARG A 105 -2.019 12.038 3.614 1.00 0.00 H new ATOM 0 HD2 ARG A 105 -1.719 13.756 5.344 1.00 0.00 H new ATOM 0 HD3 ARG A 105 -2.991 12.640 5.800 1.00 0.00 H new ATOM 0 HE ARG A 105 -0.363 12.960 7.099 1.00 0.00 H new ATOM 0 HH11 ARG A 105 -3.285 11.019 6.710 1.00 0.00 H new ATOM 0 HH12 ARG A 105 -3.077 10.186 8.255 1.00 0.00 H new ATOM 0 HH21 ARG A 105 -0.101 11.887 9.081 1.00 0.00 H new ATOM 0 HH22 ARG A 105 -1.282 10.676 9.591 1.00 0.00 H new ATOM 1621 N PHE A 106 0.881 10.284 2.976 1.00 0.00 N ATOM 1622 CA PHE A 106 2.316 10.520 2.860 1.00 0.00 C ATOM 1623 C PHE A 106 2.681 11.911 3.369 1.00 0.00 C ATOM 1624 O PHE A 106 2.102 12.912 2.945 1.00 0.00 O ATOM 1625 CB PHE A 106 2.764 10.363 1.405 1.00 0.00 C ATOM 1626 CG PHE A 106 2.450 9.015 0.823 1.00 0.00 C ATOM 1627 CD1 PHE A 106 2.790 7.856 1.504 1.00 0.00 C ATOM 1628 CD2 PHE A 106 1.817 8.905 -0.404 1.00 0.00 C ATOM 1629 CE1 PHE A 106 2.502 6.613 0.971 1.00 0.00 C ATOM 1630 CE2 PHE A 106 1.526 7.665 -0.941 1.00 0.00 C ATOM 1631 CZ PHE A 106 1.871 6.518 -0.253 1.00 0.00 C ATOM 0 H PHE A 106 0.315 10.775 2.284 1.00 0.00 H new ATOM 0 HA PHE A 106 2.831 9.781 3.473 1.00 0.00 H new ATOM 0 HB2 PHE A 106 2.283 11.132 0.800 1.00 0.00 H new ATOM 0 HB3 PHE A 106 3.839 10.535 1.344 1.00 0.00 H new ATOM 0 HD1 PHE A 106 3.285 7.925 2.461 1.00 0.00 H new ATOM 0 HD2 PHE A 106 1.548 9.799 -0.948 1.00 0.00 H new ATOM 0 HE1 PHE A 106 2.770 5.718 1.512 1.00 0.00 H new ATOM 0 HE2 PHE A 106 1.029 7.593 -1.897 1.00 0.00 H new ATOM 0 HZ PHE A 106 1.647 5.548 -0.672 1.00 0.00 H new ATOM 1641 N LEU A 107 3.645 11.966 4.282 1.00 0.00 N ATOM 1642 CA LEU A 107 4.089 13.234 4.851 1.00 0.00 C ATOM 1643 C LEU A 107 5.244 13.819 4.044 1.00 0.00 C ATOM 1644 O LEU A 107 6.128 13.104 3.572 1.00 0.00 O ATOM 1645 CB LEU A 107 4.515 13.041 6.307 1.00 0.00 C ATOM 1646 CG LEU A 107 3.580 12.198 7.174 1.00 0.00 C ATOM 1647 CD1 LEU A 107 4.325 11.642 8.378 1.00 0.00 C ATOM 1648 CD2 LEU A 107 2.380 13.021 7.620 1.00 0.00 C ATOM 0 H LEU A 107 4.134 11.147 4.644 1.00 0.00 H new ATOM 0 HA LEU A 107 3.253 13.933 4.813 1.00 0.00 H new ATOM 0 HB2 LEU A 107 5.502 12.579 6.317 1.00 0.00 H new ATOM 0 HB3 LEU A 107 4.618 14.023 6.768 1.00 0.00 H new ATOM 0 HG LEU A 107 3.219 11.360 6.577 1.00 0.00 H new ATOM 0 HD11 LEU A 107 3.643 11.045 8.984 1.00 0.00 H new ATOM 0 HD12 LEU A 107 5.151 11.017 8.038 1.00 0.00 H new ATOM 0 HD13 LEU A 107 4.715 12.465 8.976 1.00 0.00 H new ATOM 0 HD21 LEU A 107 1.725 12.405 8.236 1.00 0.00 H new ATOM 0 HD22 LEU A 107 2.722 13.879 8.199 1.00 0.00 H new ATOM 0 HD23 LEU A 107 1.832 13.370 6.744 1.00 0.00 H new ATOM 1660 N PRO A 108 5.238 15.150 3.881 1.00 0.00 N ATOM 1661 CA PRO A 108 6.280 15.861 3.134 1.00 0.00 C ATOM 1662 C PRO A 108 7.620 15.857 3.861 1.00 0.00 C ATOM 1663 O PRO A 108 7.705 16.235 5.029 1.00 0.00 O ATOM 1664 CB PRO A 108 5.732 17.286 3.030 1.00 0.00 C ATOM 1665 CG PRO A 108 4.815 17.426 4.196 1.00 0.00 C ATOM 1666 CD PRO A 108 4.215 16.064 4.415 1.00 0.00 C ATOM 0 HA PRO A 108 6.480 15.395 2.169 1.00 0.00 H new ATOM 0 HB2 PRO A 108 6.535 18.022 3.067 1.00 0.00 H new ATOM 0 HB3 PRO A 108 5.203 17.439 2.090 1.00 0.00 H new ATOM 0 HG2 PRO A 108 5.357 17.761 5.081 1.00 0.00 H new ATOM 0 HG3 PRO A 108 4.040 18.167 3.997 1.00 0.00 H new ATOM 0 HD2 PRO A 108 4.020 15.876 5.471 1.00 0.00 H new ATOM 0 HD3 PRO A 108 3.265 15.954 3.891 1.00 0.00 H new ATOM 1674 N VAL A 109 8.666 15.427 3.162 1.00 0.00 N ATOM 1675 CA VAL A 109 10.003 15.375 3.741 1.00 0.00 C ATOM 1676 C VAL A 109 10.575 16.776 3.931 1.00 0.00 C ATOM 1677 O VAL A 109 11.375 17.013 4.836 1.00 0.00 O ATOM 1678 CB VAL A 109 10.965 14.555 2.861 1.00 0.00 C ATOM 1679 CG1 VAL A 109 12.360 14.538 3.466 1.00 0.00 C ATOM 1680 CG2 VAL A 109 10.439 13.140 2.673 1.00 0.00 C ATOM 0 H VAL A 109 8.613 15.110 2.194 1.00 0.00 H new ATOM 0 HA VAL A 109 9.908 14.889 4.712 1.00 0.00 H new ATOM 0 HB VAL A 109 11.026 15.029 1.881 1.00 0.00 H new ATOM 0 HG11 VAL A 109 13.025 13.954 2.830 1.00 0.00 H new ATOM 0 HG12 VAL A 109 12.735 15.558 3.544 1.00 0.00 H new ATOM 0 HG13 VAL A 109 12.321 14.090 4.459 1.00 0.00 H new ATOM 0 HG21 VAL A 109 11.131 12.575 2.049 1.00 0.00 H new ATOM 0 HG22 VAL A 109 10.347 12.654 3.644 1.00 0.00 H new ATOM 0 HG23 VAL A 109 9.462 13.176 2.191 1.00 0.00 H new ATOM 1690 N ILE A 110 10.158 17.700 3.072 1.00 0.00 N ATOM 1691 CA ILE A 110 10.627 19.078 3.146 1.00 0.00 C ATOM 1692 C ILE A 110 10.829 19.513 4.593 1.00 0.00 C ATOM 1693 O ILE A 110 11.832 20.143 4.929 1.00 0.00 O ATOM 1694 CB ILE A 110 9.643 20.045 2.462 1.00 0.00 C ATOM 1695 CG1 ILE A 110 9.507 19.704 0.977 1.00 0.00 C ATOM 1696 CG2 ILE A 110 10.104 21.484 2.641 1.00 0.00 C ATOM 1697 CD1 ILE A 110 8.165 20.084 0.390 1.00 0.00 C ATOM 0 H ILE A 110 9.496 17.519 2.317 1.00 0.00 H new ATOM 0 HA ILE A 110 11.582 19.115 2.622 1.00 0.00 H new ATOM 0 HB ILE A 110 8.665 19.936 2.931 1.00 0.00 H new ATOM 0 HG12 ILE A 110 10.295 20.213 0.422 1.00 0.00 H new ATOM 0 HG13 ILE A 110 9.663 18.634 0.842 1.00 0.00 H new ATOM 0 HG21 ILE A 110 9.398 22.156 2.152 1.00 0.00 H new ATOM 0 HG22 ILE A 110 10.153 21.721 3.704 1.00 0.00 H new ATOM 0 HG23 ILE A 110 11.091 21.608 2.195 1.00 0.00 H new ATOM 0 HD11 ILE A 110 8.140 19.813 -0.666 1.00 0.00 H new ATOM 0 HD12 ILE A 110 7.373 19.554 0.920 1.00 0.00 H new ATOM 0 HD13 ILE A 110 8.014 21.159 0.492 1.00 0.00 H new ATOM 1709 N CYS A 111 9.869 19.172 5.446 1.00 0.00 N ATOM 1710 CA CYS A 111 9.941 19.526 6.859 1.00 0.00 C ATOM 1711 C CYS A 111 10.447 18.351 7.690 1.00 0.00 C ATOM 1712 O CYS A 111 10.109 17.198 7.424 1.00 0.00 O ATOM 1713 CB CYS A 111 8.568 19.970 7.366 1.00 0.00 C ATOM 1714 SG CYS A 111 8.616 20.888 8.923 1.00 0.00 S ATOM 0 H CYS A 111 9.032 18.651 5.184 1.00 0.00 H new ATOM 0 HA CYS A 111 10.644 20.352 6.965 1.00 0.00 H new ATOM 0 HB2 CYS A 111 8.095 20.591 6.605 1.00 0.00 H new ATOM 0 HB3 CYS A 111 7.938 19.090 7.495 1.00 0.00 H new ATOM 0 HG CYS A 111 7.408 21.221 9.268 1.00 0.00 H new ATOM 1720 N LYS A 112 11.261 18.652 8.696 1.00 0.00 N ATOM 1721 CA LYS A 112 11.816 17.622 9.566 1.00 0.00 C ATOM 1722 C LYS A 112 10.912 17.384 10.771 1.00 0.00 C ATOM 1723 O LYS A 112 10.131 18.254 11.154 1.00 0.00 O ATOM 1724 CB LYS A 112 13.216 18.022 10.036 1.00 0.00 C ATOM 1725 CG LYS A 112 14.092 16.840 10.414 1.00 0.00 C ATOM 1726 CD LYS A 112 14.734 16.208 9.190 1.00 0.00 C ATOM 1727 CE LYS A 112 15.384 14.875 9.527 1.00 0.00 C ATOM 1728 NZ LYS A 112 16.690 15.055 10.220 1.00 0.00 N ATOM 0 H LYS A 112 11.551 19.602 8.929 1.00 0.00 H new ATOM 0 HA LYS A 112 11.883 16.696 8.995 1.00 0.00 H new ATOM 0 HB2 LYS A 112 13.707 18.589 9.245 1.00 0.00 H new ATOM 0 HB3 LYS A 112 13.126 18.686 10.896 1.00 0.00 H new ATOM 0 HG2 LYS A 112 14.869 17.168 11.105 1.00 0.00 H new ATOM 0 HG3 LYS A 112 13.493 16.095 10.938 1.00 0.00 H new ATOM 0 HD2 LYS A 112 13.980 16.061 8.417 1.00 0.00 H new ATOM 0 HD3 LYS A 112 15.483 16.886 8.780 1.00 0.00 H new ATOM 0 HE2 LYS A 112 14.714 14.294 10.160 1.00 0.00 H new ATOM 0 HE3 LYS A 112 15.534 14.302 8.612 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 17.101 14.124 10.433 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 17.338 15.588 9.606 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 16.543 15.579 11.106 1.00 0.00 H new ATOM 1742 N GLU A 113 11.025 16.200 11.366 1.00 0.00 N ATOM 1743 CA GLU A 113 10.218 15.849 12.528 1.00 0.00 C ATOM 1744 C GLU A 113 10.517 16.781 13.699 1.00 0.00 C ATOM 1745 O GLU A 113 9.609 17.216 14.406 1.00 0.00 O ATOM 1746 CB GLU A 113 10.477 14.398 12.938 1.00 0.00 C ATOM 1747 CG GLU A 113 9.875 13.379 11.984 1.00 0.00 C ATOM 1748 CD GLU A 113 10.482 13.451 10.596 1.00 0.00 C ATOM 1749 OE1 GLU A 113 11.529 12.808 10.373 1.00 0.00 O ATOM 1750 OE2 GLU A 113 9.909 14.149 9.733 1.00 0.00 O ATOM 0 H GLU A 113 11.668 15.468 11.062 1.00 0.00 H new ATOM 0 HA GLU A 113 9.168 15.960 12.256 1.00 0.00 H new ATOM 0 HB2 GLU A 113 11.553 14.233 13.001 1.00 0.00 H new ATOM 0 HB3 GLU A 113 10.071 14.233 13.936 1.00 0.00 H new ATOM 0 HG2 GLU A 113 10.020 12.377 12.389 1.00 0.00 H new ATOM 0 HG3 GLU A 113 8.799 13.542 11.915 1.00 0.00 H new ATOM 1757 N GLU A 114 11.797 17.080 13.898 1.00 0.00 N ATOM 1758 CA GLU A 114 12.215 17.958 14.984 1.00 0.00 C ATOM 1759 C GLU A 114 11.534 19.320 14.877 1.00 0.00 C ATOM 1760 O GLU A 114 11.227 19.952 15.886 1.00 0.00 O ATOM 1761 CB GLU A 114 13.735 18.135 14.970 1.00 0.00 C ATOM 1762 CG GLU A 114 14.256 18.827 13.722 1.00 0.00 C ATOM 1763 CD GLU A 114 15.771 18.839 13.652 1.00 0.00 C ATOM 1764 OE1 GLU A 114 16.360 17.774 13.368 1.00 0.00 O ATOM 1765 OE2 GLU A 114 16.368 19.912 13.880 1.00 0.00 O ATOM 0 H GLU A 114 12.561 16.727 13.322 1.00 0.00 H new ATOM 0 HA GLU A 114 11.918 17.495 15.925 1.00 0.00 H new ATOM 0 HB2 GLU A 114 14.033 18.711 15.846 1.00 0.00 H new ATOM 0 HB3 GLU A 114 14.207 17.156 15.056 1.00 0.00 H new ATOM 0 HG2 GLU A 114 13.859 18.325 12.840 1.00 0.00 H new ATOM 0 HG3 GLU A 114 13.887 19.852 13.698 1.00 0.00 H new TER 1772 GLU A 114