USER MOD reduce.3.24.130724 H: found=0, std=0, add=707, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 707 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 58 THR OG1 : rot -130:sc= 0.0311 USER MOD Set 1.2: A 60 GLN : amide:sc= 0 X(o=0.031,f=0.031) USER MOD Set 2.1: A 21 SER OG : rot 180:sc= 0.0428 USER MOD Set 2.2: A 22 MET CE :methyl -161:sc= -0.119 (180deg=-0.541) USER MOD Set 3.1: A 8 HIS :FLIP no HE2:sc= -1.99 F(o=-5,f=-4.3) USER MOD Set 3.2: A 15 GLN : amide:sc= -1.81 K(o=-4.3,f=-9.6!) USER MOD Set 3.3: A 61 GLN : amide:sc= -0.588 K(o=-4.3,f=-7.3!) USER MOD Set 3.4: A 64 GLN :FLIP amide:sc= 0.00264 F(o=-5.1,f=-4.3) USER MOD Set 3.5: A 68 GLN :FLIP amide:sc= 0.11 F(o=-5,f=-4.3) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -170:sc= 0 (180deg=-0.121) USER MOD Single : A 3 HIS : no HE2:sc= -0.506 K(o=-0.51,f=-4.1!) USER MOD Single : A 4 HIS : no HD1:sc= 0 X(o=0,f=-0.0019) USER MOD Single : A 5 HIS : no HE2:sc= -0.51 K(o=-0.51,f=-4.9!) USER MOD Single : A 6 HIS : no HD1:sc= -0.0188 X(o=-0.019,f=-0.075) USER MOD Single : A 7 HIS : no HD1:sc= -0.132 K(o=-0.13,f=-0.73) USER MOD Single : A 9 MET CE :methyl -160:sc= -0.143 (180deg=-0.702) USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 THR OG1 : rot -41:sc= 0.852 USER MOD Single : A 17 GLN : amide:sc= -0.158 K(o=-0.16,f=-16!) USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 ASN : amide:sc= -0.118 X(o=-0.12,f=-0.12) USER MOD Single : A 33 ASN : amide:sc= -0.732 X(o=-0.73,f=-0.48) USER MOD Single : A 36 GLN : amide:sc= -0.853 X(o=-0.85,f=-0.64) USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 41 MET CE :methyl 180:sc= -0.0134 (180deg=-0.0134) USER MOD Single : A 45 SER OG : rot 180:sc= 0.00229 USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 59 LYS NZ :NH3+ -162:sc= -0.0876 (180deg=-0.495) USER MOD Single : A 62 CYS SG : rot -111:sc= -4.03! USER MOD Single : A 71 THR OG1 : rot 138:sc= 0.741 USER MOD Single : A 73 MET CE :methyl -159:sc= -0.16 (180deg=-0.726) USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 81 HIS : no HE2:sc= -0.281 K(o=-0.28,f=-3.7!) USER MOD Single : A 83 ASN : amide:sc= -0.133 X(o=-0.13,f=-0.00036) USER MOD Single : A 84 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 85 HIS : no HD1:sc= -0.128 K(o=-0.13,f=-2.3!) USER MOD Single : A 86 SER OG : rot 51:sc= 0.0438 USER MOD Single : A 92 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 13.753 -8.198 0.364 1.00 73.22 N ATOM 2 CA MET A 1 12.495 -8.248 1.136 1.00 15.13 C ATOM 3 C MET A 1 11.302 -8.164 0.193 1.00 45.32 C ATOM 4 O MET A 1 10.907 -7.079 -0.236 1.00 32.32 O ATOM 5 CB MET A 1 12.446 -7.106 2.161 1.00 22.50 C ATOM 6 CG MET A 1 13.541 -7.183 3.216 1.00 70.23 C ATOM 7 SD MET A 1 13.433 -8.686 4.209 1.00 24.24 S ATOM 8 CE MET A 1 14.849 -8.487 5.292 1.00 64.32 C ATOM 0 H1 MET A 1 14.553 -8.425 0.989 1.00 73.22 H new ATOM 0 H2 MET A 1 13.712 -8.890 -0.411 1.00 73.22 H new ATOM 0 H3 MET A 1 13.881 -7.244 -0.030 1.00 73.22 H new ATOM 0 HA MET A 1 12.453 -9.194 1.675 1.00 15.13 H new ATOM 0 HB2 MET A 1 12.526 -6.154 1.636 1.00 22.50 H new ATOM 0 HB3 MET A 1 11.475 -7.116 2.656 1.00 22.50 H new ATOM 0 HG2 MET A 1 14.515 -7.142 2.729 1.00 70.23 H new ATOM 0 HG3 MET A 1 13.474 -6.313 3.869 1.00 70.23 H new ATOM 0 HE1 MET A 1 14.914 -9.341 5.966 1.00 64.32 H new ATOM 0 HE2 MET A 1 15.758 -8.426 4.694 1.00 64.32 H new ATOM 0 HE3 MET A 1 14.736 -7.573 5.875 1.00 64.32 H new ATOM 20 N ALA A 2 10.747 -9.321 -0.150 1.00 54.21 N ATOM 21 CA ALA A 2 9.596 -9.398 -1.039 1.00 14.23 C ATOM 22 C ALA A 2 8.801 -10.668 -0.767 1.00 44.12 C ATOM 23 O ALA A 2 9.038 -11.710 -1.385 1.00 53.24 O ATOM 24 CB ALA A 2 10.038 -9.339 -2.499 1.00 73.44 C ATOM 0 H ALA A 2 11.081 -10.227 0.179 1.00 54.21 H new ATOM 0 HA ALA A 2 8.952 -8.540 -0.846 1.00 14.23 H new ATOM 0 HB1 ALA A 2 9.163 -9.398 -3.147 1.00 73.44 H new ATOM 0 HB2 ALA A 2 10.563 -8.402 -2.683 1.00 73.44 H new ATOM 0 HB3 ALA A 2 10.704 -10.175 -2.712 1.00 73.44 H new ATOM 30 N HIS A 3 7.873 -10.582 0.180 1.00 41.44 N ATOM 31 CA HIS A 3 7.033 -11.720 0.537 1.00 1.43 C ATOM 32 C HIS A 3 6.133 -12.099 -0.640 1.00 4.31 C ATOM 33 O HIS A 3 5.032 -11.567 -0.794 1.00 2.31 O ATOM 34 CB HIS A 3 6.198 -11.400 1.788 1.00 5.12 C ATOM 35 CG HIS A 3 5.310 -12.527 2.234 1.00 63.14 C ATOM 36 ND1 HIS A 3 5.783 -13.790 2.523 1.00 24.54 N ATOM 37 CD2 HIS A 3 3.975 -12.571 2.456 1.00 72.24 C ATOM 38 CE1 HIS A 3 4.780 -14.559 2.900 1.00 45.21 C ATOM 39 NE2 HIS A 3 3.675 -13.844 2.868 1.00 10.03 N ATOM 0 H HIS A 3 7.683 -9.735 0.715 1.00 41.44 H new ATOM 0 HA HIS A 3 7.672 -12.572 0.768 1.00 1.43 H new ATOM 0 HB2 HIS A 3 6.871 -11.136 2.604 1.00 5.12 H new ATOM 0 HB3 HIS A 3 5.582 -10.523 1.587 1.00 5.12 H new ATOM 0 HD1 HIS A 3 6.757 -14.084 2.456 1.00 24.54 H new ATOM 0 HD2 HIS A 3 3.277 -11.756 2.332 1.00 72.24 H new ATOM 0 HE1 HIS A 3 4.853 -15.598 3.186 1.00 45.21 H new ATOM 48 N HIS A 4 6.637 -12.990 -1.488 1.00 40.34 N ATOM 49 CA HIS A 4 5.917 -13.431 -2.681 1.00 51.01 C ATOM 50 C HIS A 4 4.723 -14.296 -2.293 1.00 53.23 C ATOM 51 O HIS A 4 4.886 -15.389 -1.743 1.00 0.34 O ATOM 52 CB HIS A 4 6.859 -14.207 -3.611 1.00 50.20 C ATOM 53 CG HIS A 4 8.034 -13.399 -4.074 1.00 33.32 C ATOM 54 ND1 HIS A 4 9.337 -13.834 -3.965 1.00 30.31 N ATOM 55 CD2 HIS A 4 8.100 -12.171 -4.645 1.00 2.31 C ATOM 56 CE1 HIS A 4 10.150 -12.914 -4.443 1.00 13.25 C ATOM 57 NE2 HIS A 4 9.426 -11.897 -4.863 1.00 22.43 N ATOM 0 H HIS A 4 7.552 -13.426 -1.370 1.00 40.34 H new ATOM 0 HA HIS A 4 5.549 -12.552 -3.210 1.00 51.01 H new ATOM 0 HB2 HIS A 4 7.220 -15.095 -3.092 1.00 50.20 H new ATOM 0 HB3 HIS A 4 6.298 -14.551 -4.480 1.00 50.20 H new ATOM 0 HD2 HIS A 4 7.265 -11.529 -4.883 1.00 2.31 H new ATOM 0 HE1 HIS A 4 11.227 -12.982 -4.484 1.00 13.25 H new ATOM 0 HE2 HIS A 4 9.793 -11.043 -5.283 1.00 22.43 H new ATOM 66 N HIS A 5 3.521 -13.806 -2.580 1.00 52.40 N ATOM 67 CA HIS A 5 2.303 -14.488 -2.169 1.00 51.23 C ATOM 68 C HIS A 5 1.885 -15.555 -3.177 1.00 25.42 C ATOM 69 O HIS A 5 1.032 -15.326 -4.037 1.00 52.12 O ATOM 70 CB HIS A 5 1.151 -13.499 -1.937 1.00 11.32 C ATOM 71 CG HIS A 5 -0.135 -14.183 -1.573 1.00 24.41 C ATOM 72 ND1 HIS A 5 -0.266 -14.980 -0.459 1.00 1.43 N ATOM 73 CD2 HIS A 5 -1.330 -14.229 -2.207 1.00 64.02 C ATOM 74 CE1 HIS A 5 -1.480 -15.493 -0.427 1.00 33.02 C ATOM 75 NE2 HIS A 5 -2.150 -15.052 -1.475 1.00 22.00 N ATOM 0 H HIS A 5 3.366 -12.939 -3.095 1.00 52.40 H new ATOM 0 HA HIS A 5 2.526 -14.982 -1.223 1.00 51.23 H new ATOM 0 HB2 HIS A 5 1.427 -12.806 -1.142 1.00 11.32 H new ATOM 0 HB3 HIS A 5 1.000 -12.906 -2.839 1.00 11.32 H new ATOM 0 HD1 HIS A 5 0.463 -15.148 0.234 1.00 1.43 H new ATOM 0 HD2 HIS A 5 -1.590 -13.714 -3.120 1.00 64.02 H new ATOM 0 HE1 HIS A 5 -1.862 -16.162 0.330 1.00 33.02 H new ATOM 84 N HIS A 6 2.531 -16.704 -3.081 1.00 34.21 N ATOM 85 CA HIS A 6 2.084 -17.917 -3.762 1.00 74.21 C ATOM 86 C HIS A 6 2.242 -19.072 -2.779 1.00 71.31 C ATOM 87 O HIS A 6 2.455 -20.223 -3.152 1.00 5.52 O ATOM 88 CB HIS A 6 2.880 -18.167 -5.059 1.00 64.32 C ATOM 89 CG HIS A 6 4.301 -18.600 -4.848 1.00 13.35 C ATOM 90 ND1 HIS A 6 4.741 -19.878 -5.126 1.00 0.10 N ATOM 91 CD2 HIS A 6 5.385 -17.921 -4.404 1.00 40.24 C ATOM 92 CE1 HIS A 6 6.028 -19.965 -4.861 1.00 55.12 C ATOM 93 NE2 HIS A 6 6.442 -18.793 -4.423 1.00 52.24 N ATOM 0 H HIS A 6 3.381 -16.827 -2.530 1.00 34.21 H new ATOM 0 HA HIS A 6 1.042 -17.816 -4.066 1.00 74.21 H new ATOM 0 HB2 HIS A 6 2.365 -18.929 -5.644 1.00 64.32 H new ATOM 0 HB3 HIS A 6 2.877 -17.253 -5.653 1.00 64.32 H new ATOM 0 HD2 HIS A 6 5.412 -16.887 -4.093 1.00 40.24 H new ATOM 0 HE1 HIS A 6 6.640 -20.847 -4.982 1.00 55.12 H new ATOM 0 HE2 HIS A 6 7.397 -18.570 -4.143 1.00 52.24 H new ATOM 102 N HIS A 7 2.124 -18.718 -1.503 1.00 31.13 N ATOM 103 CA HIS A 7 2.328 -19.633 -0.390 1.00 13.43 C ATOM 104 C HIS A 7 1.061 -19.701 0.455 1.00 13.23 C ATOM 105 O HIS A 7 0.368 -18.693 0.607 1.00 24.42 O ATOM 106 CB HIS A 7 3.510 -19.139 0.462 1.00 45.10 C ATOM 107 CG HIS A 7 3.738 -19.916 1.731 1.00 22.34 C ATOM 108 ND1 HIS A 7 3.176 -19.560 2.942 1.00 12.53 N ATOM 109 CD2 HIS A 7 4.478 -21.025 1.979 1.00 21.41 C ATOM 110 CE1 HIS A 7 3.561 -20.414 3.872 1.00 22.12 C ATOM 111 NE2 HIS A 7 4.349 -21.312 3.315 1.00 52.52 N ATOM 0 H HIS A 7 1.880 -17.772 -1.211 1.00 31.13 H new ATOM 0 HA HIS A 7 2.552 -20.630 -0.768 1.00 13.43 H new ATOM 0 HB2 HIS A 7 4.417 -19.180 -0.141 1.00 45.10 H new ATOM 0 HB3 HIS A 7 3.344 -18.092 0.718 1.00 45.10 H new ATOM 0 HD2 HIS A 7 5.061 -21.580 1.259 1.00 21.41 H new ATOM 0 HE1 HIS A 7 3.278 -20.382 4.914 1.00 22.12 H new ATOM 0 HE2 HIS A 7 4.791 -22.094 3.799 1.00 52.52 H new ATOM 120 N HIS A 8 0.753 -20.892 0.973 1.00 52.21 N ATOM 121 CA HIS A 8 -0.372 -21.090 1.896 1.00 10.20 C ATOM 122 C HIS A 8 -1.720 -20.864 1.196 1.00 44.12 C ATOM 123 O HIS A 8 -2.751 -20.704 1.847 1.00 2.14 O ATOM 124 CB HIS A 8 -0.226 -20.157 3.117 1.00 2.10 C ATOM 125 CG HIS A 8 -1.278 -20.349 4.165 1.00 65.54 C ATOM 126 ND1 HIS A 8 -1.535 -21.397 4.983 1.00 13.43 N flip ATOM 127 CD2 HIS A 8 -2.224 -19.395 4.461 1.00 64.25 C flip ATOM 128 CE1 HIS A 8 -2.622 -21.063 5.748 1.00 71.44 C flip ATOM 129 NE2 HIS A 8 -3.018 -19.848 5.413 1.00 64.15 N flip ATOM 0 H HIS A 8 1.273 -21.745 0.767 1.00 52.21 H new ATOM 0 HA HIS A 8 -0.352 -22.125 2.238 1.00 10.20 H new ATOM 0 HB2 HIS A 8 0.753 -20.317 3.568 1.00 2.10 H new ATOM 0 HB3 HIS A 8 -0.254 -19.122 2.775 1.00 2.10 H new ATOM 0 HD1 HIS A 8 -1.015 -22.274 5.023 1.00 13.43 H new ATOM 0 HD2 HIS A 8 -2.304 -18.427 3.988 1.00 64.25 H new ATOM 0 HE1 HIS A 8 -3.079 -21.689 6.500 1.00 71.44 H new ATOM 138 N MET A 9 -1.710 -20.886 -0.133 1.00 12.25 N ATOM 139 CA MET A 9 -2.922 -20.633 -0.914 1.00 2.23 C ATOM 140 C MET A 9 -3.837 -21.859 -0.920 1.00 52.43 C ATOM 141 O MET A 9 -5.062 -21.727 -0.908 1.00 54.21 O ATOM 142 CB MET A 9 -2.566 -20.216 -2.352 1.00 51.52 C ATOM 143 CG MET A 9 -1.802 -21.270 -3.150 1.00 71.54 C ATOM 144 SD MET A 9 -1.360 -20.703 -4.806 1.00 31.53 S ATOM 145 CE MET A 9 -2.984 -20.397 -5.505 1.00 44.51 C ATOM 0 H MET A 9 -0.879 -21.076 -0.693 1.00 12.25 H new ATOM 0 HA MET A 9 -3.461 -19.812 -0.441 1.00 2.23 H new ATOM 0 HB2 MET A 9 -3.486 -19.973 -2.884 1.00 51.52 H new ATOM 0 HB3 MET A 9 -1.969 -19.305 -2.315 1.00 51.52 H new ATOM 0 HG2 MET A 9 -0.896 -21.543 -2.610 1.00 71.54 H new ATOM 0 HG3 MET A 9 -2.410 -22.171 -3.229 1.00 71.54 H new ATOM 0 HE1 MET A 9 -2.916 -20.389 -6.593 1.00 44.51 H new ATOM 0 HE2 MET A 9 -3.670 -21.183 -5.190 1.00 44.51 H new ATOM 0 HE3 MET A 9 -3.354 -19.432 -5.158 1.00 44.51 H new ATOM 155 N GLY A 10 -3.229 -23.043 -0.924 1.00 33.52 N ATOM 156 CA GLY A 10 -3.984 -24.287 -0.926 1.00 73.32 C ATOM 157 C GLY A 10 -4.987 -24.355 -2.063 1.00 21.22 C ATOM 158 O GLY A 10 -4.650 -24.071 -3.217 1.00 31.32 O ATOM 0 H GLY A 10 -2.216 -23.164 -0.926 1.00 33.52 H new ATOM 0 HA2 GLY A 10 -3.294 -25.127 -1.004 1.00 73.32 H new ATOM 0 HA3 GLY A 10 -4.508 -24.392 0.024 1.00 73.32 H new ATOM 162 N THR A 11 -6.219 -24.740 -1.738 1.00 23.20 N ATOM 163 CA THR A 11 -7.308 -24.775 -2.708 1.00 64.11 C ATOM 164 C THR A 11 -8.644 -24.494 -2.016 1.00 2.14 C ATOM 165 O THR A 11 -9.338 -23.533 -2.354 1.00 24.42 O ATOM 166 CB THR A 11 -7.384 -26.138 -3.438 1.00 61.21 C ATOM 167 OG1 THR A 11 -6.136 -26.423 -4.092 1.00 21.55 O ATOM 168 CG2 THR A 11 -8.513 -26.148 -4.468 1.00 2.40 C ATOM 0 H THR A 11 -6.489 -25.035 -0.799 1.00 23.20 H new ATOM 0 HA THR A 11 -7.106 -24.002 -3.450 1.00 64.11 H new ATOM 0 HB THR A 11 -7.587 -26.906 -2.691 1.00 61.21 H new ATOM 0 HG1 THR A 11 -6.196 -27.288 -4.549 1.00 21.55 H new ATOM 0 HG21 THR A 11 -8.543 -27.117 -4.965 1.00 2.40 H new ATOM 0 HG22 THR A 11 -9.464 -25.968 -3.967 1.00 2.40 H new ATOM 0 HG23 THR A 11 -8.338 -25.366 -5.207 1.00 2.40 H new ATOM 176 N LEU A 12 -8.994 -25.331 -1.043 1.00 10.11 N ATOM 177 CA LEU A 12 -10.241 -25.179 -0.302 1.00 62.34 C ATOM 178 C LEU A 12 -10.030 -25.609 1.158 1.00 50.51 C ATOM 179 O LEU A 12 -9.244 -24.982 1.875 1.00 4.12 O ATOM 180 CB LEU A 12 -11.364 -25.989 -0.983 1.00 73.43 C ATOM 181 CG LEU A 12 -12.785 -25.737 -0.446 1.00 43.20 C ATOM 182 CD1 LEU A 12 -13.199 -24.280 -0.651 1.00 34.05 C ATOM 183 CD2 LEU A 12 -13.791 -26.686 -1.102 1.00 2.42 C ATOM 0 H LEU A 12 -8.427 -26.126 -0.749 1.00 10.11 H new ATOM 0 HA LEU A 12 -10.546 -24.132 -0.303 1.00 62.34 H new ATOM 0 HB2 LEU A 12 -11.353 -25.766 -2.050 1.00 73.43 H new ATOM 0 HB3 LEU A 12 -11.138 -27.050 -0.877 1.00 73.43 H new ATOM 0 HG LEU A 12 -12.779 -25.936 0.626 1.00 43.20 H new ATOM 0 HD11 LEU A 12 -14.206 -24.130 -0.263 1.00 34.05 H new ATOM 0 HD12 LEU A 12 -12.505 -23.627 -0.122 1.00 34.05 H new ATOM 0 HD13 LEU A 12 -13.181 -24.043 -1.715 1.00 34.05 H new ATOM 0 HD21 LEU A 12 -14.788 -26.489 -0.707 1.00 2.42 H new ATOM 0 HD22 LEU A 12 -13.790 -26.528 -2.180 1.00 2.42 H new ATOM 0 HD23 LEU A 12 -13.512 -27.717 -0.886 1.00 2.42 H new ATOM 195 N GLU A 13 -10.679 -26.696 1.584 1.00 11.24 N ATOM 196 CA GLU A 13 -10.599 -27.158 2.968 1.00 2.42 C ATOM 197 C GLU A 13 -9.502 -28.215 3.102 1.00 25.54 C ATOM 198 O GLU A 13 -9.436 -29.148 2.300 1.00 43.43 O ATOM 199 CB GLU A 13 -11.960 -27.725 3.403 1.00 52.23 C ATOM 200 CG GLU A 13 -13.104 -26.705 3.353 1.00 2.02 C ATOM 201 CD GLU A 13 -14.476 -27.360 3.409 1.00 23.10 C ATOM 202 OE1 GLU A 13 -14.756 -28.093 4.377 1.00 31.04 O ATOM 203 OE2 GLU A 13 -15.277 -27.163 2.467 1.00 20.54 O ATOM 0 H GLU A 13 -11.268 -27.274 0.985 1.00 11.24 H new ATOM 0 HA GLU A 13 -10.348 -26.320 3.618 1.00 2.42 H new ATOM 0 HB2 GLU A 13 -12.212 -28.570 2.762 1.00 52.23 H new ATOM 0 HB3 GLU A 13 -11.874 -28.110 4.419 1.00 52.23 H new ATOM 0 HG2 GLU A 13 -13.003 -26.010 4.187 1.00 2.02 H new ATOM 0 HG3 GLU A 13 -13.023 -26.118 2.438 1.00 2.02 H new ATOM 210 N ALA A 14 -8.641 -28.048 4.107 1.00 34.40 N ATOM 211 CA ALA A 14 -7.487 -28.929 4.329 1.00 21.23 C ATOM 212 C ALA A 14 -6.590 -28.390 5.446 1.00 55.24 C ATOM 213 O ALA A 14 -5.566 -28.991 5.775 1.00 61.00 O ATOM 214 CB ALA A 14 -6.664 -29.092 3.050 1.00 34.11 C ATOM 0 H ALA A 14 -8.722 -27.297 4.793 1.00 34.40 H new ATOM 0 HA ALA A 14 -7.877 -29.903 4.626 1.00 21.23 H new ATOM 0 HB1 ALA A 14 -5.816 -29.749 3.244 1.00 34.11 H new ATOM 0 HB2 ALA A 14 -7.288 -29.526 2.269 1.00 34.11 H new ATOM 0 HB3 ALA A 14 -6.300 -28.117 2.725 1.00 34.11 H new ATOM 220 N GLN A 15 -6.985 -27.264 6.037 1.00 62.31 N ATOM 221 CA GLN A 15 -6.161 -26.569 7.023 1.00 61.21 C ATOM 222 C GLN A 15 -7.021 -26.069 8.183 1.00 41.33 C ATOM 223 O GLN A 15 -7.795 -25.119 8.025 1.00 55.20 O ATOM 224 CB GLN A 15 -5.432 -25.384 6.372 1.00 32.53 C ATOM 225 CG GLN A 15 -4.435 -25.781 5.284 1.00 2.10 C ATOM 226 CD GLN A 15 -3.758 -24.580 4.644 1.00 32.43 C ATOM 227 OE1 GLN A 15 -3.604 -23.531 5.273 1.00 73.03 O ATOM 228 NE2 GLN A 15 -3.334 -24.725 3.396 1.00 54.22 N ATOM 0 H GLN A 15 -7.879 -26.811 5.848 1.00 62.31 H new ATOM 0 HA GLN A 15 -5.423 -27.274 7.407 1.00 61.21 H new ATOM 0 HB2 GLN A 15 -6.172 -24.709 5.942 1.00 32.53 H new ATOM 0 HB3 GLN A 15 -4.905 -24.827 7.146 1.00 32.53 H new ATOM 0 HG2 GLN A 15 -3.676 -26.435 5.713 1.00 2.10 H new ATOM 0 HG3 GLN A 15 -4.952 -26.355 4.515 1.00 2.10 H new ATOM 0 HE21 GLN A 15 -3.479 -25.608 2.907 1.00 54.22 H new ATOM 0 HE22 GLN A 15 -2.862 -23.953 2.925 1.00 54.22 H new ATOM 237 N THR A 16 -6.874 -26.718 9.336 1.00 54.24 N ATOM 238 CA THR A 16 -7.611 -26.359 10.548 1.00 21.43 C ATOM 239 C THR A 16 -6.691 -26.477 11.765 1.00 75.24 C ATOM 240 O THR A 16 -7.144 -26.616 12.907 1.00 55.04 O ATOM 241 CB THR A 16 -8.857 -27.262 10.729 1.00 2.14 C ATOM 242 OG1 THR A 16 -9.615 -26.847 11.876 1.00 30.03 O ATOM 243 CG2 THR A 16 -8.467 -28.730 10.879 1.00 42.53 C ATOM 0 H THR A 16 -6.241 -27.508 9.458 1.00 54.24 H new ATOM 0 HA THR A 16 -7.953 -25.329 10.453 1.00 21.43 H new ATOM 0 HB THR A 16 -9.468 -27.159 9.832 1.00 2.14 H new ATOM 0 HG1 THR A 16 -9.003 -26.616 12.606 1.00 30.03 H new ATOM 0 HG21 THR A 16 -9.366 -29.334 11.004 1.00 42.53 H new ATOM 0 HG22 THR A 16 -7.931 -29.057 9.988 1.00 42.53 H new ATOM 0 HG23 THR A 16 -7.826 -28.849 11.752 1.00 42.53 H new ATOM 251 N GLN A 17 -5.391 -26.399 11.501 1.00 13.34 N ATOM 252 CA GLN A 17 -4.373 -26.508 12.542 1.00 34.33 C ATOM 253 C GLN A 17 -4.468 -25.329 13.512 1.00 53.31 C ATOM 254 O GLN A 17 -4.022 -24.218 13.209 1.00 40.31 O ATOM 255 CB GLN A 17 -2.963 -26.587 11.927 1.00 1.43 C ATOM 256 CG GLN A 17 -2.645 -27.911 11.221 1.00 44.23 C ATOM 257 CD GLN A 17 -3.198 -28.026 9.803 1.00 62.21 C ATOM 258 OE1 GLN A 17 -4.228 -27.447 9.461 1.00 74.11 O ATOM 259 NE2 GLN A 17 -2.509 -28.782 8.964 1.00 32.34 N ATOM 0 H GLN A 17 -5.014 -26.259 10.564 1.00 13.34 H new ATOM 0 HA GLN A 17 -4.554 -27.429 13.096 1.00 34.33 H new ATOM 0 HB2 GLN A 17 -2.847 -25.773 11.212 1.00 1.43 H new ATOM 0 HB3 GLN A 17 -2.228 -26.426 12.715 1.00 1.43 H new ATOM 0 HG2 GLN A 17 -1.563 -28.038 11.186 1.00 44.23 H new ATOM 0 HG3 GLN A 17 -3.043 -28.731 11.819 1.00 44.23 H new ATOM 0 HE21 GLN A 17 -1.659 -29.249 9.279 1.00 32.34 H new ATOM 0 HE22 GLN A 17 -2.828 -28.898 8.002 1.00 32.34 H new ATOM 268 N GLY A 18 -5.064 -25.581 14.672 1.00 74.42 N ATOM 269 CA GLY A 18 -5.267 -24.544 15.670 1.00 12.00 C ATOM 270 C GLY A 18 -6.706 -24.527 16.153 1.00 35.14 C ATOM 271 O GLY A 18 -7.462 -23.608 15.830 1.00 43.04 O ATOM 0 H GLY A 18 -5.415 -26.499 14.943 1.00 74.42 H new ATOM 0 HA2 GLY A 18 -4.598 -24.711 16.514 1.00 12.00 H new ATOM 0 HA3 GLY A 18 -5.010 -23.573 15.248 1.00 12.00 H new ATOM 275 N PRO A 19 -7.116 -25.547 16.930 1.00 2.43 N ATOM 276 CA PRO A 19 -8.507 -25.704 17.369 1.00 73.41 C ATOM 277 C PRO A 19 -8.905 -24.701 18.452 1.00 73.01 C ATOM 278 O PRO A 19 -8.055 -24.164 19.172 1.00 12.24 O ATOM 279 CB PRO A 19 -8.539 -27.138 17.912 1.00 61.45 C ATOM 280 CG PRO A 19 -7.151 -27.382 18.394 1.00 2.54 C ATOM 281 CD PRO A 19 -6.247 -26.625 17.455 1.00 51.13 C ATOM 0 HA PRO A 19 -9.214 -25.522 16.560 1.00 73.41 H new ATOM 0 HB2 PRO A 19 -9.264 -27.241 18.719 1.00 61.45 H new ATOM 0 HB3 PRO A 19 -8.822 -27.850 17.137 1.00 61.45 H new ATOM 0 HG2 PRO A 19 -7.027 -27.035 19.420 1.00 2.54 H new ATOM 0 HG3 PRO A 19 -6.917 -28.447 18.388 1.00 2.54 H new ATOM 0 HD2 PRO A 19 -5.377 -26.222 17.974 1.00 51.13 H new ATOM 0 HD3 PRO A 19 -5.874 -27.264 16.655 1.00 51.13 H new ATOM 289 N GLY A 20 -10.208 -24.461 18.558 1.00 44.34 N ATOM 290 CA GLY A 20 -10.743 -23.563 19.566 1.00 15.12 C ATOM 291 C GLY A 20 -11.768 -24.260 20.435 1.00 30.50 C ATOM 292 O GLY A 20 -12.853 -24.607 19.966 1.00 30.22 O ATOM 0 H GLY A 20 -10.914 -24.880 17.953 1.00 44.34 H new ATOM 0 HA2 GLY A 20 -9.931 -23.186 20.188 1.00 15.12 H new ATOM 0 HA3 GLY A 20 -11.200 -22.700 19.082 1.00 15.12 H new ATOM 296 N SER A 21 -11.424 -24.474 21.700 1.00 5.35 N ATOM 297 CA SER A 21 -12.290 -25.188 22.635 1.00 13.22 C ATOM 298 C SER A 21 -13.526 -24.359 22.999 1.00 35.21 C ATOM 299 O SER A 21 -14.451 -24.856 23.647 1.00 61.22 O ATOM 300 CB SER A 21 -11.486 -25.553 23.888 1.00 65.31 C ATOM 301 OG SER A 21 -10.662 -24.470 24.288 1.00 31.31 O ATOM 0 H SER A 21 -10.542 -24.160 22.106 1.00 5.35 H new ATOM 0 HA SER A 21 -12.648 -26.100 22.157 1.00 13.22 H new ATOM 0 HB2 SER A 21 -12.166 -25.818 24.698 1.00 65.31 H new ATOM 0 HB3 SER A 21 -10.871 -26.430 23.689 1.00 65.31 H new ATOM 0 HG SER A 21 -10.158 -24.721 25.090 1.00 31.31 H new ATOM 307 N MET A 22 -13.534 -23.096 22.579 1.00 40.34 N ATOM 308 CA MET A 22 -14.648 -22.188 22.852 1.00 11.43 C ATOM 309 C MET A 22 -15.536 -22.033 21.625 1.00 25.31 C ATOM 310 O MET A 22 -16.428 -21.181 21.584 1.00 73.35 O ATOM 311 CB MET A 22 -14.121 -20.819 23.300 1.00 14.10 C ATOM 312 CG MET A 22 -13.203 -20.136 22.287 1.00 73.13 C ATOM 313 SD MET A 22 -11.653 -21.028 22.013 1.00 12.04 S ATOM 314 CE MET A 22 -10.899 -20.932 23.640 1.00 34.42 C ATOM 0 H MET A 22 -12.775 -22.674 22.044 1.00 40.34 H new ATOM 0 HA MET A 22 -15.247 -22.617 23.656 1.00 11.43 H new ATOM 0 HB2 MET A 22 -14.969 -20.165 23.503 1.00 14.10 H new ATOM 0 HB3 MET A 22 -13.580 -20.940 24.239 1.00 14.10 H new ATOM 0 HG2 MET A 22 -13.730 -20.037 21.338 1.00 73.13 H new ATOM 0 HG3 MET A 22 -12.978 -19.127 22.633 1.00 73.13 H new ATOM 0 HE1 MET A 22 -9.829 -21.125 23.557 1.00 34.42 H new ATOM 0 HE2 MET A 22 -11.057 -19.937 24.056 1.00 34.42 H new ATOM 0 HE3 MET A 22 -11.352 -21.676 24.295 1.00 34.42 H new ATOM 324 N ASP A 23 -15.290 -22.878 20.639 1.00 74.42 N ATOM 325 CA ASP A 23 -16.040 -22.864 19.381 1.00 12.13 C ATOM 326 C ASP A 23 -16.744 -24.200 19.163 1.00 74.30 C ATOM 327 O ASP A 23 -16.129 -25.177 18.723 1.00 71.42 O ATOM 328 CB ASP A 23 -15.116 -22.567 18.191 1.00 21.15 C ATOM 329 CG ASP A 23 -14.553 -21.154 18.212 1.00 3.10 C ATOM 330 OD1 ASP A 23 -13.640 -20.884 19.023 1.00 33.13 O ATOM 331 OD2 ASP A 23 -15.000 -20.308 17.407 1.00 40.20 O ATOM 0 H ASP A 23 -14.566 -23.596 20.681 1.00 74.42 H new ATOM 0 HA ASP A 23 -16.786 -22.073 19.448 1.00 12.13 H new ATOM 0 HB2 ASP A 23 -14.292 -23.280 18.192 1.00 21.15 H new ATOM 0 HB3 ASP A 23 -15.668 -22.718 17.263 1.00 21.15 H new ATOM 336 N ASP A 24 -18.023 -24.241 19.516 1.00 42.31 N ATOM 337 CA ASP A 24 -18.863 -25.415 19.283 1.00 42.05 C ATOM 338 C ASP A 24 -19.584 -25.270 17.946 1.00 40.34 C ATOM 339 O ASP A 24 -19.870 -26.252 17.258 1.00 21.12 O ATOM 340 CB ASP A 24 -19.870 -25.579 20.431 1.00 70.42 C ATOM 341 CG ASP A 24 -20.820 -26.748 20.227 1.00 43.13 C ATOM 342 OD1 ASP A 24 -20.339 -27.892 20.076 1.00 14.53 O ATOM 343 OD2 ASP A 24 -22.054 -26.527 20.223 1.00 1.13 O ATOM 0 H ASP A 24 -18.508 -23.467 19.970 1.00 42.31 H new ATOM 0 HA ASP A 24 -18.238 -26.308 19.248 1.00 42.05 H new ATOM 0 HB2 ASP A 24 -19.327 -25.718 21.366 1.00 70.42 H new ATOM 0 HB3 ASP A 24 -20.449 -24.661 20.533 1.00 70.42 H new ATOM 348 N GLU A 25 -19.869 -24.024 17.590 1.00 43.24 N ATOM 349 CA GLU A 25 -20.416 -23.682 16.283 1.00 32.13 C ATOM 350 C GLU A 25 -19.285 -23.179 15.393 1.00 71.11 C ATOM 351 O GLU A 25 -18.736 -22.104 15.645 1.00 11.21 O ATOM 352 CB GLU A 25 -21.481 -22.587 16.429 1.00 24.04 C ATOM 353 CG GLU A 25 -22.656 -22.968 17.326 1.00 41.52 C ATOM 354 CD GLU A 25 -23.657 -23.897 16.653 1.00 11.45 C ATOM 355 OE1 GLU A 25 -23.429 -25.127 16.648 1.00 40.34 O ATOM 356 OE2 GLU A 25 -24.690 -23.398 16.151 1.00 25.03 O ATOM 0 H GLU A 25 -19.727 -23.220 18.201 1.00 43.24 H new ATOM 0 HA GLU A 25 -20.877 -24.564 15.838 1.00 32.13 H new ATOM 0 HB2 GLU A 25 -21.010 -21.689 16.829 1.00 24.04 H new ATOM 0 HB3 GLU A 25 -21.862 -22.333 15.440 1.00 24.04 H new ATOM 0 HG2 GLU A 25 -22.274 -23.449 18.227 1.00 41.52 H new ATOM 0 HG3 GLU A 25 -23.170 -22.061 17.643 1.00 41.52 H new ATOM 363 N LEU A 26 -18.922 -23.950 14.372 1.00 21.21 N ATOM 364 CA LEU A 26 -17.804 -23.574 13.512 1.00 15.43 C ATOM 365 C LEU A 26 -18.151 -22.374 12.639 1.00 11.11 C ATOM 366 O LEU A 26 -19.300 -21.928 12.573 1.00 33.23 O ATOM 367 CB LEU A 26 -17.342 -24.739 12.613 1.00 3.44 C ATOM 368 CG LEU A 26 -16.647 -25.925 13.322 1.00 42.43 C ATOM 369 CD1 LEU A 26 -16.137 -25.542 14.712 1.00 63.11 C ATOM 370 CD2 LEU A 26 -17.573 -27.132 13.383 1.00 21.13 C ATOM 0 H LEU A 26 -19.378 -24.827 14.122 1.00 21.21 H new ATOM 0 HA LEU A 26 -16.985 -23.308 14.180 1.00 15.43 H new ATOM 0 HB2 LEU A 26 -18.211 -25.123 12.079 1.00 3.44 H new ATOM 0 HB3 LEU A 26 -16.658 -24.341 11.864 1.00 3.44 H new ATOM 0 HG LEU A 26 -15.773 -26.196 12.730 1.00 42.43 H new ATOM 0 HD11 LEU A 26 -15.656 -26.404 15.174 1.00 63.11 H new ATOM 0 HD12 LEU A 26 -15.417 -24.729 14.624 1.00 63.11 H new ATOM 0 HD13 LEU A 26 -16.974 -25.219 15.331 1.00 63.11 H new ATOM 0 HD21 LEU A 26 -17.065 -27.955 13.885 1.00 21.13 H new ATOM 0 HD22 LEU A 26 -18.475 -26.871 13.936 1.00 21.13 H new ATOM 0 HD23 LEU A 26 -17.842 -27.435 12.371 1.00 21.13 H new ATOM 382 N TYR A 27 -17.132 -21.869 11.972 1.00 5.01 N ATOM 383 CA TYR A 27 -17.264 -20.776 11.035 1.00 1.23 C ATOM 384 C TYR A 27 -16.774 -21.250 9.680 1.00 21.45 C ATOM 385 O TYR A 27 -15.883 -22.107 9.602 1.00 35.30 O ATOM 386 CB TYR A 27 -16.434 -19.561 11.482 1.00 52.12 C ATOM 387 CG TYR A 27 -17.049 -18.718 12.588 1.00 2.32 C ATOM 388 CD1 TYR A 27 -17.203 -19.210 13.882 1.00 64.22 C ATOM 389 CD2 TYR A 27 -17.443 -17.406 12.337 1.00 22.21 C ATOM 390 CE1 TYR A 27 -17.732 -18.420 14.886 1.00 54.23 C ATOM 391 CE2 TYR A 27 -17.977 -16.617 13.335 1.00 1.01 C ATOM 392 CZ TYR A 27 -18.117 -17.126 14.607 1.00 13.21 C ATOM 393 OH TYR A 27 -18.633 -16.333 15.608 1.00 30.44 O ATOM 0 H TYR A 27 -16.177 -22.213 12.069 1.00 5.01 H new ATOM 0 HA TYR A 27 -18.309 -20.471 10.985 1.00 1.23 H new ATOM 0 HB2 TYR A 27 -15.459 -19.913 11.817 1.00 52.12 H new ATOM 0 HB3 TYR A 27 -16.262 -18.922 10.616 1.00 52.12 H new ATOM 0 HD1 TYR A 27 -16.905 -20.224 14.104 1.00 64.22 H new ATOM 0 HD2 TYR A 27 -17.328 -16.999 11.343 1.00 22.21 H new ATOM 0 HE1 TYR A 27 -17.843 -18.815 15.885 1.00 54.23 H new ATOM 0 HE2 TYR A 27 -18.284 -15.604 13.120 1.00 1.01 H new ATOM 0 HH TYR A 27 -18.853 -15.450 15.245 1.00 30.44 H new ATOM 403 N PHE A 28 -17.363 -20.707 8.632 1.00 71.32 N ATOM 404 CA PHE A 28 -16.935 -20.972 7.269 1.00 10.14 C ATOM 405 C PHE A 28 -16.567 -19.655 6.609 1.00 42.44 C ATOM 406 O PHE A 28 -16.991 -18.590 7.068 1.00 44.14 O ATOM 407 CB PHE A 28 -18.056 -21.671 6.468 1.00 40.34 C ATOM 408 CG PHE A 28 -17.670 -23.032 5.950 1.00 41.12 C ATOM 409 CD1 PHE A 28 -16.434 -23.235 5.362 1.00 65.42 C ATOM 410 CD2 PHE A 28 -18.538 -24.109 6.052 1.00 74.33 C ATOM 411 CE1 PHE A 28 -16.074 -24.476 4.888 1.00 62.14 C ATOM 412 CE2 PHE A 28 -18.174 -25.356 5.578 1.00 21.32 C ATOM 413 CZ PHE A 28 -16.944 -25.536 4.997 1.00 60.33 C ATOM 0 H PHE A 28 -18.155 -20.067 8.701 1.00 71.32 H new ATOM 0 HA PHE A 28 -16.071 -21.636 7.286 1.00 10.14 H new ATOM 0 HB2 PHE A 28 -18.937 -21.770 7.102 1.00 40.34 H new ATOM 0 HB3 PHE A 28 -18.338 -21.038 5.627 1.00 40.34 H new ATOM 0 HD1 PHE A 28 -15.743 -22.409 5.274 1.00 65.42 H new ATOM 0 HD2 PHE A 28 -19.508 -23.972 6.506 1.00 74.33 H new ATOM 0 HE1 PHE A 28 -15.106 -24.618 4.430 1.00 62.14 H new ATOM 0 HE2 PHE A 28 -18.857 -26.188 5.665 1.00 21.32 H new ATOM 0 HZ PHE A 28 -16.659 -26.509 4.626 1.00 60.33 H new ATOM 423 N VAL A 29 -15.781 -19.714 5.547 1.00 31.31 N ATOM 424 CA VAL A 29 -15.500 -18.526 4.767 1.00 3.35 C ATOM 425 C VAL A 29 -16.609 -18.389 3.738 1.00 63.31 C ATOM 426 O VAL A 29 -17.052 -19.388 3.191 1.00 22.10 O ATOM 427 CB VAL A 29 -14.118 -18.626 4.078 1.00 23.40 C ATOM 428 CG1 VAL A 29 -13.841 -17.412 3.203 1.00 63.55 C ATOM 429 CG2 VAL A 29 -13.018 -18.811 5.119 1.00 71.30 C ATOM 0 H VAL A 29 -15.331 -20.565 5.209 1.00 31.31 H new ATOM 0 HA VAL A 29 -15.466 -17.648 5.412 1.00 3.35 H new ATOM 0 HB VAL A 29 -14.130 -19.500 3.426 1.00 23.40 H new ATOM 0 HG11 VAL A 29 -12.862 -17.516 2.735 1.00 63.55 H new ATOM 0 HG12 VAL A 29 -14.606 -17.338 2.430 1.00 63.55 H new ATOM 0 HG13 VAL A 29 -13.856 -16.511 3.816 1.00 63.55 H new ATOM 0 HG21 VAL A 29 -12.052 -18.880 4.619 1.00 71.30 H new ATOM 0 HG22 VAL A 29 -13.015 -17.960 5.800 1.00 71.30 H new ATOM 0 HG23 VAL A 29 -13.201 -19.726 5.683 1.00 71.30 H new ATOM 439 N VAL A 30 -17.103 -17.187 3.506 1.00 64.44 N ATOM 440 CA VAL A 30 -18.211 -17.001 2.578 1.00 74.31 C ATOM 441 C VAL A 30 -18.001 -15.780 1.709 1.00 41.10 C ATOM 442 O VAL A 30 -17.198 -14.890 2.035 1.00 44.12 O ATOM 443 CB VAL A 30 -19.570 -16.874 3.310 1.00 20.14 C ATOM 444 CG1 VAL A 30 -19.873 -18.136 4.114 1.00 2.32 C ATOM 445 CG2 VAL A 30 -19.594 -15.632 4.198 1.00 64.13 C ATOM 0 H VAL A 30 -16.761 -16.330 3.941 1.00 64.44 H new ATOM 0 HA VAL A 30 -18.236 -17.892 1.951 1.00 74.31 H new ATOM 0 HB VAL A 30 -20.353 -16.762 2.560 1.00 20.14 H new ATOM 0 HG11 VAL A 30 -20.832 -18.024 4.619 1.00 2.32 H new ATOM 0 HG12 VAL A 30 -19.915 -18.994 3.443 1.00 2.32 H new ATOM 0 HG13 VAL A 30 -19.089 -18.293 4.855 1.00 2.32 H new ATOM 0 HG21 VAL A 30 -20.558 -15.564 4.702 1.00 64.13 H new ATOM 0 HG22 VAL A 30 -18.800 -15.701 4.942 1.00 64.13 H new ATOM 0 HG23 VAL A 30 -19.441 -14.744 3.585 1.00 64.13 H new ATOM 455 N ARG A 31 -18.722 -15.759 0.596 1.00 74.21 N ATOM 456 CA ARG A 31 -18.708 -14.614 -0.316 1.00 61.34 C ATOM 457 C ARG A 31 -19.824 -14.745 -1.343 1.00 65.32 C ATOM 458 O ARG A 31 -20.461 -15.794 -1.433 1.00 35.24 O ATOM 459 CB ARG A 31 -17.352 -14.524 -1.034 1.00 41.42 C ATOM 460 CG ARG A 31 -17.034 -15.745 -1.887 1.00 24.13 C ATOM 461 CD ARG A 31 -15.689 -15.625 -2.592 1.00 34.43 C ATOM 462 NE ARG A 31 -15.403 -16.803 -3.409 1.00 52.03 N ATOM 463 CZ ARG A 31 -14.258 -17.021 -4.055 1.00 70.33 C ATOM 464 NH1 ARG A 31 -13.262 -16.134 -4.006 1.00 13.04 N ATOM 465 NH2 ARG A 31 -14.114 -18.133 -4.759 1.00 53.34 N ATOM 0 H ARG A 31 -19.328 -16.524 0.299 1.00 74.21 H new ATOM 0 HA ARG A 31 -18.865 -13.706 0.266 1.00 61.34 H new ATOM 0 HB2 ARG A 31 -17.343 -13.636 -1.667 1.00 41.42 H new ATOM 0 HB3 ARG A 31 -16.565 -14.394 -0.292 1.00 41.42 H new ATOM 0 HG2 ARG A 31 -17.033 -16.635 -1.257 1.00 24.13 H new ATOM 0 HG3 ARG A 31 -17.820 -15.881 -2.630 1.00 24.13 H new ATOM 0 HD2 ARG A 31 -15.686 -14.735 -3.222 1.00 34.43 H new ATOM 0 HD3 ARG A 31 -14.900 -15.495 -1.852 1.00 34.43 H new ATOM 0 HE ARG A 31 -16.134 -17.510 -3.491 1.00 52.03 H new ATOM 0 HH11 ARG A 31 -13.371 -15.274 -3.468 1.00 13.04 H new ATOM 0 HH12 ARG A 31 -12.392 -16.316 -4.506 1.00 13.04 H new ATOM 0 HH21 ARG A 31 -14.875 -18.811 -4.802 1.00 53.34 H new ATOM 0 HH22 ARG A 31 -13.242 -18.311 -5.258 1.00 53.34 H new ATOM 479 N ASN A 32 -20.075 -13.678 -2.095 1.00 2.23 N ATOM 480 CA ASN A 32 -20.970 -13.760 -3.246 1.00 31.43 C ATOM 481 C ASN A 32 -20.616 -12.679 -4.259 1.00 1.13 C ATOM 482 O ASN A 32 -20.335 -11.547 -3.879 1.00 32.34 O ATOM 483 CB ASN A 32 -22.432 -13.582 -2.793 1.00 44.45 C ATOM 484 CG ASN A 32 -22.795 -12.131 -2.492 1.00 22.14 C ATOM 485 OD1 ASN A 32 -23.371 -11.434 -3.330 1.00 21.30 O ATOM 486 ND2 ASN A 32 -22.427 -11.651 -1.313 1.00 21.21 N ATOM 0 H ASN A 32 -19.676 -12.754 -1.931 1.00 2.23 H new ATOM 0 HA ASN A 32 -20.855 -14.740 -3.710 1.00 31.43 H new ATOM 0 HB2 ASN A 32 -23.095 -13.962 -3.570 1.00 44.45 H new ATOM 0 HB3 ASN A 32 -22.606 -14.186 -1.902 1.00 44.45 H new ATOM 0 HD21 ASN A 32 -22.619 -10.678 -1.076 1.00 21.21 H new ATOM 0 HD22 ASN A 32 -21.952 -12.255 -0.642 1.00 21.21 H new ATOM 493 N ASN A 33 -20.662 -13.042 -5.545 1.00 42.50 N ATOM 494 CA ASN A 33 -20.486 -12.108 -6.678 1.00 1.24 C ATOM 495 C ASN A 33 -19.302 -11.117 -6.507 1.00 14.24 C ATOM 496 O ASN A 33 -19.095 -10.239 -7.345 1.00 32.20 O ATOM 497 CB ASN A 33 -21.812 -11.353 -6.905 1.00 73.12 C ATOM 498 CG ASN A 33 -21.785 -10.392 -8.089 1.00 2.33 C ATOM 499 OD1 ASN A 33 -21.985 -10.793 -9.236 1.00 42.53 O ATOM 500 ND2 ASN A 33 -21.575 -9.114 -7.812 1.00 65.15 N ATOM 0 H ASN A 33 -20.824 -14.005 -5.839 1.00 42.50 H new ATOM 0 HA ASN A 33 -20.226 -12.703 -7.553 1.00 1.24 H new ATOM 0 HB2 ASN A 33 -22.610 -12.080 -7.058 1.00 73.12 H new ATOM 0 HB3 ASN A 33 -22.059 -10.794 -6.002 1.00 73.12 H new ATOM 0 HD21 ASN A 33 -21.575 -8.423 -8.562 1.00 65.15 H new ATOM 0 HD22 ASN A 33 -21.413 -8.821 -6.849 1.00 65.15 H new ATOM 507 N GLU A 34 -18.501 -11.277 -5.453 1.00 12.12 N ATOM 508 CA GLU A 34 -17.479 -10.287 -5.095 1.00 15.25 C ATOM 509 C GLU A 34 -16.061 -10.826 -5.292 1.00 55.43 C ATOM 510 O GLU A 34 -15.144 -10.079 -5.624 1.00 11.43 O ATOM 511 CB GLU A 34 -17.680 -9.871 -3.630 1.00 31.40 C ATOM 512 CG GLU A 34 -17.499 -11.022 -2.643 1.00 45.21 C ATOM 513 CD GLU A 34 -17.896 -10.657 -1.223 1.00 55.45 C ATOM 514 OE1 GLU A 34 -17.186 -9.846 -0.596 1.00 70.25 O ATOM 515 OE2 GLU A 34 -18.925 -11.178 -0.737 1.00 52.32 O ATOM 0 H GLU A 34 -18.539 -12.084 -4.830 1.00 12.12 H new ATOM 0 HA GLU A 34 -17.592 -9.427 -5.755 1.00 15.25 H new ATOM 0 HB2 GLU A 34 -16.974 -9.078 -3.385 1.00 31.40 H new ATOM 0 HB3 GLU A 34 -18.681 -9.455 -3.512 1.00 31.40 H new ATOM 0 HG2 GLU A 34 -18.095 -11.873 -2.973 1.00 45.21 H new ATOM 0 HG3 GLU A 34 -16.456 -11.340 -2.652 1.00 45.21 H new ATOM 522 N GLY A 35 -15.893 -12.128 -5.084 1.00 13.30 N ATOM 523 CA GLY A 35 -14.576 -12.745 -5.140 1.00 3.53 C ATOM 524 C GLY A 35 -13.774 -12.552 -3.855 1.00 21.20 C ATOM 525 O GLY A 35 -12.878 -13.348 -3.557 1.00 11.05 O ATOM 0 H GLY A 35 -16.654 -12.775 -4.875 1.00 13.30 H new ATOM 0 HA2 GLY A 35 -14.688 -13.811 -5.336 1.00 3.53 H new ATOM 0 HA3 GLY A 35 -14.019 -12.324 -5.977 1.00 3.53 H new ATOM 529 N GLN A 36 -14.122 -11.521 -3.080 1.00 72.42 N ATOM 530 CA GLN A 36 -13.482 -11.242 -1.789 1.00 74.31 C ATOM 531 C GLN A 36 -13.874 -12.301 -0.761 1.00 21.04 C ATOM 532 O GLN A 36 -14.701 -13.167 -1.046 1.00 51.11 O ATOM 533 CB GLN A 36 -13.863 -9.842 -1.278 1.00 41.20 C ATOM 534 CG GLN A 36 -13.123 -8.695 -1.966 1.00 14.33 C ATOM 535 CD GLN A 36 -13.295 -8.689 -3.476 1.00 24.11 C ATOM 536 OE1 GLN A 36 -12.497 -9.277 -4.207 1.00 61.54 O ATOM 537 NE2 GLN A 36 -14.335 -8.027 -3.951 1.00 51.11 N ATOM 0 H GLN A 36 -14.855 -10.856 -3.328 1.00 72.42 H new ATOM 0 HA GLN A 36 -12.402 -11.272 -1.933 1.00 74.31 H new ATOM 0 HB2 GLN A 36 -14.935 -9.699 -1.413 1.00 41.20 H new ATOM 0 HB3 GLN A 36 -13.667 -9.794 -0.207 1.00 41.20 H new ATOM 0 HG2 GLN A 36 -13.480 -7.747 -1.563 1.00 14.33 H new ATOM 0 HG3 GLN A 36 -12.061 -8.762 -1.728 1.00 14.33 H new ATOM 0 HE21 GLN A 36 -14.973 -7.553 -3.312 1.00 51.11 H new ATOM 0 HE22 GLN A 36 -14.500 -7.990 -4.957 1.00 51.11 H new ATOM 546 N TYR A 37 -13.270 -12.244 0.425 1.00 44.03 N ATOM 547 CA TYR A 37 -13.509 -13.257 1.450 1.00 31.33 C ATOM 548 C TYR A 37 -14.031 -12.663 2.747 1.00 72.14 C ATOM 549 O TYR A 37 -13.499 -11.671 3.252 1.00 73.10 O ATOM 550 CB TYR A 37 -12.228 -14.055 1.728 1.00 65.43 C ATOM 551 CG TYR A 37 -11.952 -15.093 0.671 1.00 23.52 C ATOM 552 CD1 TYR A 37 -12.953 -15.977 0.314 1.00 60.30 C ATOM 553 CD2 TYR A 37 -10.722 -15.186 0.027 1.00 24.31 C ATOM 554 CE1 TYR A 37 -12.744 -16.938 -0.656 1.00 72.34 C ATOM 555 CE2 TYR A 37 -10.503 -16.144 -0.947 1.00 24.44 C ATOM 556 CZ TYR A 37 -11.517 -17.017 -1.285 1.00 11.32 C ATOM 557 OH TYR A 37 -11.305 -17.969 -2.258 1.00 0.35 O ATOM 0 H TYR A 37 -12.615 -11.511 0.698 1.00 44.03 H new ATOM 0 HA TYR A 37 -14.279 -13.921 1.058 1.00 31.33 H new ATOM 0 HB2 TYR A 37 -11.383 -13.369 1.788 1.00 65.43 H new ATOM 0 HB3 TYR A 37 -12.312 -14.543 2.699 1.00 65.43 H new ATOM 0 HD1 TYR A 37 -13.915 -15.915 0.802 1.00 60.30 H new ATOM 0 HD2 TYR A 37 -9.929 -14.502 0.291 1.00 24.31 H new ATOM 0 HE1 TYR A 37 -13.535 -17.624 -0.921 1.00 72.34 H new ATOM 0 HE2 TYR A 37 -9.544 -16.208 -1.440 1.00 24.44 H new ATOM 0 HH TYR A 37 -10.390 -17.889 -2.600 1.00 0.35 H new ATOM 567 N SER A 38 -15.078 -13.285 3.277 1.00 71.15 N ATOM 568 CA SER A 38 -15.554 -12.996 4.615 1.00 73.51 C ATOM 569 C SER A 38 -15.793 -14.302 5.370 1.00 12.10 C ATOM 570 O SER A 38 -15.537 -15.377 4.833 1.00 11.10 O ATOM 571 CB SER A 38 -16.830 -12.146 4.568 1.00 52.44 C ATOM 572 OG SER A 38 -16.579 -10.880 3.982 1.00 71.45 O ATOM 0 H SER A 38 -15.616 -14.001 2.789 1.00 71.15 H new ATOM 0 HA SER A 38 -14.795 -12.420 5.144 1.00 73.51 H new ATOM 0 HB2 SER A 38 -17.598 -12.668 3.997 1.00 52.44 H new ATOM 0 HB3 SER A 38 -17.219 -12.012 5.577 1.00 52.44 H new ATOM 0 HG SER A 38 -17.408 -10.358 3.962 1.00 71.45 H new ATOM 578 N VAL A 39 -16.251 -14.217 6.618 1.00 63.03 N ATOM 579 CA VAL A 39 -16.569 -15.413 7.397 1.00 5.30 C ATOM 580 C VAL A 39 -18.021 -15.388 7.865 1.00 14.12 C ATOM 581 O VAL A 39 -18.647 -14.327 7.941 1.00 3.12 O ATOM 582 CB VAL A 39 -15.620 -15.603 8.611 1.00 35.10 C ATOM 583 CG1 VAL A 39 -14.194 -15.891 8.135 1.00 34.34 C ATOM 584 CG2 VAL A 39 -15.653 -14.388 9.538 1.00 24.42 C ATOM 0 H VAL A 39 -16.410 -13.337 7.110 1.00 63.03 H new ATOM 0 HA VAL A 39 -16.422 -16.264 6.732 1.00 5.30 H new ATOM 0 HB VAL A 39 -15.972 -16.461 9.184 1.00 35.10 H new ATOM 0 HG11 VAL A 39 -13.542 -16.022 8.998 1.00 34.34 H new ATOM 0 HG12 VAL A 39 -14.188 -16.801 7.534 1.00 34.34 H new ATOM 0 HG13 VAL A 39 -13.836 -15.056 7.533 1.00 34.34 H new ATOM 0 HG21 VAL A 39 -14.978 -14.553 10.378 1.00 24.42 H new ATOM 0 HG22 VAL A 39 -15.338 -13.502 8.987 1.00 24.42 H new ATOM 0 HG23 VAL A 39 -16.667 -14.242 9.911 1.00 24.42 H new ATOM 594 N TRP A 40 -18.538 -16.568 8.173 1.00 31.10 N ATOM 595 CA TRP A 40 -19.944 -16.757 8.504 1.00 74.31 C ATOM 596 C TRP A 40 -20.082 -17.877 9.528 1.00 25.31 C ATOM 597 O TRP A 40 -19.415 -18.907 9.425 1.00 1.51 O ATOM 598 CB TRP A 40 -20.705 -17.082 7.212 1.00 25.04 C ATOM 599 CG TRP A 40 -22.104 -17.598 7.383 1.00 64.03 C ATOM 600 CD1 TRP A 40 -23.231 -16.872 7.645 1.00 73.50 C ATOM 601 CD2 TRP A 40 -22.524 -18.958 7.251 1.00 63.34 C ATOM 602 NE1 TRP A 40 -24.326 -17.705 7.694 1.00 4.55 N ATOM 603 CE2 TRP A 40 -23.914 -18.989 7.454 1.00 73.33 C ATOM 604 CE3 TRP A 40 -21.856 -20.155 6.983 1.00 72.11 C ATOM 605 CZ2 TRP A 40 -24.648 -20.167 7.393 1.00 64.30 C ATOM 606 CZ3 TRP A 40 -22.586 -21.327 6.924 1.00 51.14 C ATOM 607 CH2 TRP A 40 -23.970 -21.325 7.126 1.00 71.21 C ATOM 0 H TRP A 40 -17.990 -17.428 8.201 1.00 31.10 H new ATOM 0 HA TRP A 40 -20.363 -15.852 8.944 1.00 74.31 H new ATOM 0 HB2 TRP A 40 -20.744 -16.181 6.601 1.00 25.04 H new ATOM 0 HB3 TRP A 40 -20.132 -17.822 6.653 1.00 25.04 H new ATOM 0 HD1 TRP A 40 -23.259 -15.802 7.792 1.00 73.50 H new ATOM 0 HE1 TRP A 40 -25.286 -17.414 7.879 1.00 4.55 H new ATOM 0 HE3 TRP A 40 -20.788 -20.165 6.825 1.00 72.11 H new ATOM 0 HZ2 TRP A 40 -25.716 -20.169 7.551 1.00 64.30 H new ATOM 0 HZ3 TRP A 40 -22.080 -22.259 6.719 1.00 51.14 H new ATOM 0 HH2 TRP A 40 -24.514 -22.256 7.070 1.00 71.21 H new ATOM 618 N MET A 41 -20.934 -17.660 10.523 1.00 15.53 N ATOM 619 CA MET A 41 -21.117 -18.618 11.610 1.00 1.22 C ATOM 620 C MET A 41 -22.096 -19.714 11.191 1.00 72.33 C ATOM 621 O MET A 41 -23.242 -19.426 10.841 1.00 71.32 O ATOM 622 CB MET A 41 -21.630 -17.891 12.861 1.00 42.31 C ATOM 623 CG MET A 41 -21.727 -18.770 14.101 1.00 31.15 C ATOM 624 SD MET A 41 -22.306 -17.852 15.543 1.00 32.11 S ATOM 625 CE MET A 41 -22.088 -19.069 16.840 1.00 73.30 C ATOM 0 H MET A 41 -21.513 -16.824 10.601 1.00 15.53 H new ATOM 0 HA MET A 41 -20.158 -19.083 11.840 1.00 1.22 H new ATOM 0 HB2 MET A 41 -20.969 -17.052 13.076 1.00 42.31 H new ATOM 0 HB3 MET A 41 -22.614 -17.475 12.647 1.00 42.31 H new ATOM 0 HG2 MET A 41 -22.406 -19.600 13.904 1.00 31.15 H new ATOM 0 HG3 MET A 41 -20.749 -19.202 14.316 1.00 31.15 H new ATOM 0 HE1 MET A 41 -22.404 -18.646 17.793 1.00 73.30 H new ATOM 0 HE2 MET A 41 -22.689 -19.950 16.617 1.00 73.30 H new ATOM 0 HE3 MET A 41 -21.037 -19.353 16.900 1.00 73.30 H new ATOM 635 N ASP A 42 -21.638 -20.963 11.227 1.00 51.30 N ATOM 636 CA ASP A 42 -22.469 -22.103 10.847 1.00 11.42 C ATOM 637 C ASP A 42 -23.562 -22.331 11.892 1.00 34.45 C ATOM 638 O ASP A 42 -23.500 -21.783 12.995 1.00 34.15 O ATOM 639 CB ASP A 42 -21.608 -23.368 10.665 1.00 70.44 C ATOM 640 CG ASP A 42 -22.425 -24.582 10.235 1.00 62.11 C ATOM 641 OD1 ASP A 42 -23.237 -24.459 9.293 1.00 14.52 O ATOM 642 OD2 ASP A 42 -22.263 -25.666 10.833 1.00 62.33 O ATOM 0 H ASP A 42 -20.692 -21.212 11.517 1.00 51.30 H new ATOM 0 HA ASP A 42 -22.947 -21.884 9.892 1.00 11.42 H new ATOM 0 HB2 ASP A 42 -20.836 -23.173 9.920 1.00 70.44 H new ATOM 0 HB3 ASP A 42 -21.098 -23.592 11.602 1.00 70.44 H new ATOM 647 N GLY A 43 -24.562 -23.129 11.535 1.00 43.50 N ATOM 648 CA GLY A 43 -25.719 -23.336 12.392 1.00 3.14 C ATOM 649 C GLY A 43 -26.954 -22.691 11.798 1.00 31.24 C ATOM 650 O GLY A 43 -28.061 -22.829 12.318 1.00 3.04 O ATOM 0 H GLY A 43 -24.593 -23.644 10.655 1.00 43.50 H new ATOM 0 HA2 GLY A 43 -25.891 -24.404 12.526 1.00 3.14 H new ATOM 0 HA3 GLY A 43 -25.525 -22.918 13.380 1.00 3.14 H new ATOM 654 N ARG A 44 -26.744 -21.988 10.692 1.00 4.12 N ATOM 655 CA ARG A 44 -27.810 -21.314 9.957 1.00 32.44 C ATOM 656 C ARG A 44 -27.701 -21.646 8.470 1.00 64.22 C ATOM 657 O ARG A 44 -26.736 -22.288 8.043 1.00 52.23 O ATOM 658 CB ARG A 44 -27.730 -19.789 10.181 1.00 0.23 C ATOM 659 CG ARG A 44 -26.305 -19.254 10.307 1.00 25.34 C ATOM 660 CD ARG A 44 -26.270 -17.736 10.444 1.00 30.41 C ATOM 661 NE ARG A 44 -27.094 -17.262 11.556 1.00 65.32 N ATOM 662 CZ ARG A 44 -27.128 -15.996 11.986 1.00 41.11 C ATOM 663 NH1 ARG A 44 -26.303 -15.087 11.477 1.00 33.33 N ATOM 664 NH2 ARG A 44 -27.977 -15.646 12.942 1.00 23.54 N ATOM 0 H ARG A 44 -25.821 -21.868 10.275 1.00 4.12 H new ATOM 0 HA ARG A 44 -28.775 -21.663 10.324 1.00 32.44 H new ATOM 0 HB2 ARG A 44 -28.225 -19.284 9.352 1.00 0.23 H new ATOM 0 HB3 ARG A 44 -28.284 -19.535 11.085 1.00 0.23 H new ATOM 0 HG2 ARG A 44 -25.824 -19.707 11.174 1.00 25.34 H new ATOM 0 HG3 ARG A 44 -25.728 -19.552 9.431 1.00 25.34 H new ATOM 0 HD2 ARG A 44 -25.241 -17.410 10.592 1.00 30.41 H new ATOM 0 HD3 ARG A 44 -26.618 -17.281 9.517 1.00 30.41 H new ATOM 0 HE ARG A 44 -27.682 -17.943 12.036 1.00 65.32 H new ATOM 0 HH11 ARG A 44 -25.636 -15.352 10.752 1.00 33.33 H new ATOM 0 HH12 ARG A 44 -26.336 -14.124 11.811 1.00 33.33 H new ATOM 0 HH21 ARG A 44 -28.603 -16.342 13.348 1.00 23.54 H new ATOM 0 HH22 ARG A 44 -28.005 -14.681 13.271 1.00 23.54 H new ATOM 678 N SER A 45 -28.693 -21.229 7.693 1.00 20.53 N ATOM 679 CA SER A 45 -28.674 -21.395 6.243 1.00 5.15 C ATOM 680 C SER A 45 -28.297 -20.080 5.573 1.00 72.32 C ATOM 681 O SER A 45 -28.661 -19.002 6.050 1.00 4.10 O ATOM 682 CB SER A 45 -30.040 -21.896 5.754 1.00 43.33 C ATOM 683 OG SER A 45 -31.100 -21.181 6.371 1.00 24.12 O ATOM 0 H SER A 45 -29.531 -20.768 8.047 1.00 20.53 H new ATOM 0 HA SER A 45 -27.924 -22.139 5.974 1.00 5.15 H new ATOM 0 HB2 SER A 45 -30.105 -21.785 4.672 1.00 43.33 H new ATOM 0 HB3 SER A 45 -30.140 -22.959 5.972 1.00 43.33 H new ATOM 0 HG SER A 45 -31.958 -21.519 6.040 1.00 24.12 H new ATOM 689 N LEU A 46 -27.544 -20.169 4.485 1.00 30.11 N ATOM 690 CA LEU A 46 -27.061 -18.983 3.796 1.00 41.30 C ATOM 691 C LEU A 46 -28.055 -18.504 2.740 1.00 52.25 C ATOM 692 O LEU A 46 -28.577 -19.302 1.960 1.00 65.25 O ATOM 693 CB LEU A 46 -25.697 -19.248 3.145 1.00 31.30 C ATOM 694 CG LEU A 46 -24.477 -18.814 3.969 1.00 40.51 C ATOM 695 CD1 LEU A 46 -23.184 -19.183 3.254 1.00 14.34 C ATOM 696 CD2 LEU A 46 -24.520 -17.312 4.254 1.00 11.43 C ATOM 0 H LEU A 46 -27.255 -21.051 4.062 1.00 30.11 H new ATOM 0 HA LEU A 46 -26.951 -18.197 4.544 1.00 41.30 H new ATOM 0 HB2 LEU A 46 -25.613 -20.315 2.939 1.00 31.30 H new ATOM 0 HB3 LEU A 46 -25.666 -18.734 2.184 1.00 31.30 H new ATOM 0 HG LEU A 46 -24.507 -19.344 4.921 1.00 40.51 H new ATOM 0 HD11 LEU A 46 -22.332 -18.866 3.856 1.00 14.34 H new ATOM 0 HD12 LEU A 46 -23.144 -20.263 3.109 1.00 14.34 H new ATOM 0 HD13 LEU A 46 -23.149 -18.685 2.285 1.00 14.34 H new ATOM 0 HD21 LEU A 46 -23.646 -17.028 4.839 1.00 11.43 H new ATOM 0 HD22 LEU A 46 -24.521 -16.763 3.312 1.00 11.43 H new ATOM 0 HD23 LEU A 46 -25.424 -17.074 4.814 1.00 11.43 H new ATOM 708 N PRO A 47 -28.331 -17.187 2.731 1.00 40.22 N ATOM 709 CA PRO A 47 -29.121 -16.539 1.684 1.00 35.22 C ATOM 710 C PRO A 47 -28.690 -16.971 0.276 1.00 3.22 C ATOM 711 O PRO A 47 -27.490 -16.964 -0.058 1.00 43.43 O ATOM 712 CB PRO A 47 -28.833 -15.047 1.895 1.00 55.23 C ATOM 713 CG PRO A 47 -28.494 -14.915 3.344 1.00 33.22 C ATOM 714 CD PRO A 47 -27.912 -16.239 3.779 1.00 72.34 C ATOM 0 HA PRO A 47 -30.177 -16.799 1.751 1.00 35.22 H new ATOM 0 HB2 PRO A 47 -28.009 -14.712 1.266 1.00 55.23 H new ATOM 0 HB3 PRO A 47 -29.699 -14.438 1.636 1.00 55.23 H new ATOM 0 HG2 PRO A 47 -27.779 -14.108 3.502 1.00 33.22 H new ATOM 0 HG3 PRO A 47 -29.382 -14.672 3.928 1.00 33.22 H new ATOM 0 HD2 PRO A 47 -26.826 -16.189 3.858 1.00 72.34 H new ATOM 0 HD3 PRO A 47 -28.289 -16.536 4.757 1.00 72.34 H new ATOM 722 N ALA A 48 -29.672 -17.354 -0.537 1.00 24.10 N ATOM 723 CA ALA A 48 -29.427 -17.762 -1.913 1.00 45.31 C ATOM 724 C ALA A 48 -28.574 -16.722 -2.635 1.00 10.30 C ATOM 725 O ALA A 48 -28.913 -15.535 -2.655 1.00 50.42 O ATOM 726 CB ALA A 48 -30.748 -17.969 -2.643 1.00 71.43 C ATOM 0 H ALA A 48 -30.653 -17.389 -0.260 1.00 24.10 H new ATOM 0 HA ALA A 48 -28.882 -18.706 -1.905 1.00 45.31 H new ATOM 0 HB1 ALA A 48 -30.552 -18.274 -3.671 1.00 71.43 H new ATOM 0 HB2 ALA A 48 -31.325 -18.744 -2.138 1.00 71.43 H new ATOM 0 HB3 ALA A 48 -31.314 -17.037 -2.643 1.00 71.43 H new ATOM 732 N GLY A 49 -27.477 -17.168 -3.224 1.00 61.20 N ATOM 733 CA GLY A 49 -26.549 -16.262 -3.868 1.00 60.31 C ATOM 734 C GLY A 49 -25.197 -16.257 -3.190 1.00 71.01 C ATOM 735 O GLY A 49 -24.185 -15.950 -3.821 1.00 13.20 O ATOM 0 H GLY A 49 -27.210 -18.151 -3.268 1.00 61.20 H new ATOM 0 HA2 GLY A 49 -26.429 -16.548 -4.913 1.00 60.31 H new ATOM 0 HA3 GLY A 49 -26.962 -15.253 -3.859 1.00 60.31 H new ATOM 739 N TRP A 50 -25.169 -16.600 -1.900 1.00 52.24 N ATOM 740 CA TRP A 50 -23.903 -16.693 -1.170 1.00 31.12 C ATOM 741 C TRP A 50 -23.250 -18.054 -1.390 1.00 32.34 C ATOM 742 O TRP A 50 -23.919 -19.020 -1.769 1.00 34.24 O ATOM 743 CB TRP A 50 -24.124 -16.444 0.327 1.00 51.44 C ATOM 744 CG TRP A 50 -24.442 -15.013 0.649 1.00 52.31 C ATOM 745 CD1 TRP A 50 -25.644 -14.388 0.494 1.00 43.21 C ATOM 746 CD2 TRP A 50 -23.543 -14.027 1.172 1.00 52.50 C ATOM 747 NE1 TRP A 50 -25.549 -13.078 0.893 1.00 1.04 N ATOM 748 CE2 TRP A 50 -24.272 -12.831 1.313 1.00 0.44 C ATOM 749 CE3 TRP A 50 -22.193 -14.040 1.539 1.00 71.24 C ATOM 750 CZ2 TRP A 50 -23.698 -11.662 1.803 1.00 41.50 C ATOM 751 CZ3 TRP A 50 -21.625 -12.878 2.026 1.00 43.03 C ATOM 752 CH2 TRP A 50 -22.377 -11.702 2.156 1.00 53.43 C ATOM 0 H TRP A 50 -25.997 -16.815 -1.345 1.00 52.24 H new ATOM 0 HA TRP A 50 -23.233 -15.924 -1.555 1.00 31.12 H new ATOM 0 HB2 TRP A 50 -24.938 -17.078 0.678 1.00 51.44 H new ATOM 0 HB3 TRP A 50 -23.230 -16.742 0.874 1.00 51.44 H new ATOM 0 HD1 TRP A 50 -26.540 -14.855 0.113 1.00 43.21 H new ATOM 0 HE1 TRP A 50 -26.309 -12.398 0.878 1.00 1.04 H new ATOM 0 HE3 TRP A 50 -21.606 -14.941 1.444 1.00 71.24 H new ATOM 0 HZ2 TRP A 50 -24.275 -10.755 1.901 1.00 41.50 H new ATOM 0 HZ3 TRP A 50 -20.583 -12.876 2.311 1.00 43.03 H new ATOM 0 HH2 TRP A 50 -21.905 -10.811 2.542 1.00 53.43 H new ATOM 763 N GLU A 51 -21.940 -18.122 -1.170 1.00 31.52 N ATOM 764 CA GLU A 51 -21.198 -19.373 -1.285 1.00 65.54 C ATOM 765 C GLU A 51 -20.249 -19.528 -0.103 1.00 44.41 C ATOM 766 O GLU A 51 -19.805 -18.523 0.492 1.00 23.22 O ATOM 767 CB GLU A 51 -20.395 -19.431 -2.592 1.00 21.21 C ATOM 768 CG GLU A 51 -19.219 -18.465 -2.619 1.00 31.04 C ATOM 769 CD GLU A 51 -18.382 -18.560 -3.882 1.00 61.44 C ATOM 770 OE1 GLU A 51 -18.857 -18.129 -4.951 1.00 2.31 O ATOM 771 OE2 GLU A 51 -17.237 -19.051 -3.810 1.00 74.23 O ATOM 0 H GLU A 51 -21.367 -17.319 -0.909 1.00 31.52 H new ATOM 0 HA GLU A 51 -21.922 -20.188 -1.289 1.00 65.54 H new ATOM 0 HB2 GLU A 51 -20.026 -20.446 -2.739 1.00 21.21 H new ATOM 0 HB3 GLU A 51 -21.058 -19.209 -3.428 1.00 21.21 H new ATOM 0 HG2 GLU A 51 -19.594 -17.447 -2.518 1.00 31.04 H new ATOM 0 HG3 GLU A 51 -18.582 -18.657 -1.756 1.00 31.04 H new ATOM 778 N THR A 52 -19.937 -20.788 0.198 1.00 32.54 N ATOM 779 CA THR A 52 -19.057 -21.159 1.301 1.00 63.35 C ATOM 780 C THR A 52 -17.711 -21.641 0.764 1.00 21.15 C ATOM 781 O THR A 52 -17.631 -22.166 -0.347 1.00 10.23 O ATOM 782 CB THR A 52 -19.687 -22.272 2.168 1.00 43.32 C ATOM 783 OG1 THR A 52 -20.139 -23.348 1.327 1.00 14.24 O ATOM 784 CG2 THR A 52 -20.855 -21.741 2.995 1.00 41.04 C ATOM 0 H THR A 52 -20.294 -21.588 -0.325 1.00 32.54 H new ATOM 0 HA THR A 52 -18.910 -20.274 1.920 1.00 63.35 H new ATOM 0 HB THR A 52 -18.923 -22.636 2.855 1.00 43.32 H new ATOM 0 HG1 THR A 52 -20.536 -24.052 1.881 1.00 14.24 H new ATOM 0 HG21 THR A 52 -21.275 -22.550 3.593 1.00 41.04 H new ATOM 0 HG22 THR A 52 -20.503 -20.947 3.654 1.00 41.04 H new ATOM 0 HG23 THR A 52 -21.622 -21.346 2.329 1.00 41.04 H new ATOM 792 N VAL A 53 -16.674 -21.485 1.576 1.00 23.41 N ATOM 793 CA VAL A 53 -15.294 -21.750 1.184 1.00 22.34 C ATOM 794 C VAL A 53 -14.395 -21.772 2.418 1.00 44.25 C ATOM 795 O VAL A 53 -14.845 -21.504 3.544 1.00 74.21 O ATOM 796 CB VAL A 53 -14.740 -20.678 0.188 1.00 51.30 C ATOM 797 CG1 VAL A 53 -15.042 -21.048 -1.264 1.00 62.24 C ATOM 798 CG2 VAL A 53 -15.300 -19.292 0.509 1.00 31.43 C ATOM 0 H VAL A 53 -16.768 -21.166 2.540 1.00 23.41 H new ATOM 0 HA VAL A 53 -15.290 -22.718 0.684 1.00 22.34 H new ATOM 0 HB VAL A 53 -13.657 -20.654 0.310 1.00 51.30 H new ATOM 0 HG11 VAL A 53 -14.642 -20.280 -1.926 1.00 62.24 H new ATOM 0 HG12 VAL A 53 -14.579 -22.007 -1.499 1.00 62.24 H new ATOM 0 HG13 VAL A 53 -16.120 -21.122 -1.404 1.00 62.24 H new ATOM 0 HG21 VAL A 53 -14.899 -18.565 -0.198 1.00 31.43 H new ATOM 0 HG22 VAL A 53 -16.387 -19.312 0.432 1.00 31.43 H new ATOM 0 HG23 VAL A 53 -15.013 -19.009 1.522 1.00 31.43 H new ATOM 808 N GLY A 54 -13.126 -22.089 2.199 1.00 3.04 N ATOM 809 CA GLY A 54 -12.146 -22.036 3.262 1.00 22.23 C ATOM 810 C GLY A 54 -12.084 -23.310 4.077 1.00 33.01 C ATOM 811 O GLY A 54 -11.650 -24.336 3.583 1.00 72.20 O ATOM 0 H GLY A 54 -12.757 -22.384 1.295 1.00 3.04 H new ATOM 0 HA2 GLY A 54 -11.164 -21.838 2.833 1.00 22.23 H new ATOM 0 HA3 GLY A 54 -12.380 -21.201 3.922 1.00 22.23 H new ATOM 815 N GLU A 55 -12.442 -23.195 5.344 1.00 4.43 N ATOM 816 CA GLU A 55 -12.440 -24.295 6.301 1.00 31.03 C ATOM 817 C GLU A 55 -13.578 -24.077 7.296 1.00 24.14 C ATOM 818 O GLU A 55 -13.775 -22.941 7.735 1.00 23.13 O ATOM 819 CB GLU A 55 -11.108 -24.323 7.062 1.00 24.22 C ATOM 820 CG GLU A 55 -10.908 -25.553 7.935 1.00 31.31 C ATOM 821 CD GLU A 55 -10.661 -26.806 7.119 1.00 15.13 C ATOM 822 OE1 GLU A 55 -9.722 -26.794 6.294 1.00 72.41 O ATOM 823 OE2 GLU A 55 -11.387 -27.804 7.303 1.00 54.04 O ATOM 0 H GLU A 55 -12.751 -22.311 5.749 1.00 4.43 H new ATOM 0 HA GLU A 55 -12.571 -25.240 5.773 1.00 31.03 H new ATOM 0 HB2 GLU A 55 -10.291 -24.267 6.342 1.00 24.22 H new ATOM 0 HB3 GLU A 55 -11.043 -23.433 7.688 1.00 24.22 H new ATOM 0 HG2 GLU A 55 -10.064 -25.387 8.605 1.00 31.31 H new ATOM 0 HG3 GLU A 55 -11.788 -25.698 8.561 1.00 31.31 H new ATOM 830 N PRO A 56 -14.355 -25.105 7.665 1.00 15.13 N ATOM 831 CA PRO A 56 -15.243 -24.998 8.805 1.00 1.52 C ATOM 832 C PRO A 56 -14.487 -25.282 10.089 1.00 72.40 C ATOM 833 O PRO A 56 -14.113 -26.425 10.376 1.00 53.12 O ATOM 834 CB PRO A 56 -16.305 -26.043 8.540 1.00 31.21 C ATOM 835 CG PRO A 56 -15.615 -27.098 7.730 1.00 3.01 C ATOM 836 CD PRO A 56 -14.470 -26.419 7.004 1.00 64.45 C ATOM 0 HA PRO A 56 -15.671 -24.003 8.926 1.00 1.52 H new ATOM 0 HB2 PRO A 56 -16.697 -26.453 9.471 1.00 31.21 H new ATOM 0 HB3 PRO A 56 -17.150 -25.619 7.998 1.00 31.21 H new ATOM 0 HG2 PRO A 56 -15.245 -27.897 8.372 1.00 3.01 H new ATOM 0 HG3 PRO A 56 -16.306 -27.553 7.021 1.00 3.01 H new ATOM 0 HD2 PRO A 56 -13.547 -26.992 7.092 1.00 64.45 H new ATOM 0 HD3 PRO A 56 -14.680 -26.313 5.940 1.00 64.45 H new ATOM 844 N ALA A 57 -14.252 -24.235 10.848 1.00 33.55 N ATOM 845 CA ALA A 57 -13.402 -24.337 12.030 1.00 55.44 C ATOM 846 C ALA A 57 -13.664 -23.194 12.997 1.00 31.23 C ATOM 847 O ALA A 57 -14.577 -22.396 12.797 1.00 52.10 O ATOM 848 CB ALA A 57 -11.930 -24.366 11.618 1.00 52.45 C ATOM 0 H ALA A 57 -14.632 -23.304 10.676 1.00 33.55 H new ATOM 0 HA ALA A 57 -13.643 -25.268 12.544 1.00 55.44 H new ATOM 0 HB1 ALA A 57 -11.305 -24.442 12.508 1.00 52.45 H new ATOM 0 HB2 ALA A 57 -11.750 -25.226 10.973 1.00 52.45 H new ATOM 0 HB3 ALA A 57 -11.685 -23.451 11.079 1.00 52.45 H new ATOM 854 N THR A 58 -12.870 -23.151 14.057 1.00 61.34 N ATOM 855 CA THR A 58 -12.938 -22.077 15.039 1.00 41.54 C ATOM 856 C THR A 58 -12.763 -20.710 14.379 1.00 53.23 C ATOM 857 O THR A 58 -12.083 -20.580 13.352 1.00 72.34 O ATOM 858 CB THR A 58 -11.858 -22.259 16.143 1.00 32.00 C ATOM 859 OG1 THR A 58 -11.696 -21.051 16.908 1.00 12.31 O ATOM 860 CG2 THR A 58 -10.511 -22.652 15.547 1.00 4.31 C ATOM 0 H THR A 58 -12.162 -23.857 14.261 1.00 61.34 H new ATOM 0 HA THR A 58 -13.926 -22.124 15.496 1.00 41.54 H new ATOM 0 HB THR A 58 -12.204 -23.060 16.796 1.00 32.00 H new ATOM 0 HG1 THR A 58 -10.744 -20.823 16.962 1.00 12.31 H new ATOM 0 HG21 THR A 58 -9.780 -22.771 16.347 1.00 4.31 H new ATOM 0 HG22 THR A 58 -10.613 -23.593 15.006 1.00 4.31 H new ATOM 0 HG23 THR A 58 -10.176 -21.874 14.861 1.00 4.31 H new ATOM 868 N LYS A 59 -13.372 -19.699 14.997 1.00 20.01 N ATOM 869 CA LYS A 59 -13.246 -18.311 14.567 1.00 44.32 C ATOM 870 C LYS A 59 -11.784 -17.976 14.283 1.00 75.31 C ATOM 871 O LYS A 59 -11.461 -17.318 13.294 1.00 55.41 O ATOM 872 CB LYS A 59 -13.793 -17.388 15.668 1.00 22.43 C ATOM 873 CG LYS A 59 -13.626 -15.895 15.400 1.00 75.31 C ATOM 874 CD LYS A 59 -14.416 -15.435 14.181 1.00 22.03 C ATOM 875 CE LYS A 59 -14.397 -13.914 14.041 1.00 60.14 C ATOM 876 NZ LYS A 59 -14.978 -13.237 15.234 1.00 44.44 N ATOM 0 H LYS A 59 -13.970 -19.823 15.814 1.00 20.01 H new ATOM 0 HA LYS A 59 -13.818 -18.165 13.651 1.00 44.32 H new ATOM 0 HB2 LYS A 59 -14.853 -17.601 15.806 1.00 22.43 H new ATOM 0 HB3 LYS A 59 -13.294 -17.631 16.606 1.00 22.43 H new ATOM 0 HG2 LYS A 59 -13.952 -15.332 16.275 1.00 75.31 H new ATOM 0 HG3 LYS A 59 -12.570 -15.671 15.252 1.00 75.31 H new ATOM 0 HD2 LYS A 59 -13.998 -15.889 13.283 1.00 22.03 H new ATOM 0 HD3 LYS A 59 -15.446 -15.781 14.263 1.00 22.03 H new ATOM 0 HE2 LYS A 59 -13.371 -13.576 13.896 1.00 60.14 H new ATOM 0 HE3 LYS A 59 -14.957 -13.625 13.151 1.00 60.14 H new ATOM 0 HZ1 LYS A 59 -15.228 -12.258 14.990 1.00 44.44 H new ATOM 0 HZ2 LYS A 59 -15.831 -13.746 15.541 1.00 44.44 H new ATOM 0 HZ3 LYS A 59 -14.281 -13.234 16.005 1.00 44.44 H new ATOM 890 N GLN A 60 -10.910 -18.477 15.154 1.00 12.52 N ATOM 891 CA GLN A 60 -9.473 -18.227 15.062 1.00 60.11 C ATOM 892 C GLN A 60 -8.901 -18.735 13.736 1.00 73.42 C ATOM 893 O GLN A 60 -8.087 -18.062 13.107 1.00 12.21 O ATOM 894 CB GLN A 60 -8.743 -18.895 16.236 1.00 71.20 C ATOM 895 CG GLN A 60 -9.231 -18.443 17.610 1.00 21.32 C ATOM 896 CD GLN A 60 -8.481 -19.115 18.747 1.00 4.32 C ATOM 897 OE1 GLN A 60 -7.462 -18.612 19.217 1.00 72.30 O ATOM 898 NE2 GLN A 60 -8.981 -20.256 19.194 1.00 42.31 N ATOM 0 H GLN A 60 -11.178 -19.067 15.942 1.00 12.52 H new ATOM 0 HA GLN A 60 -9.319 -17.149 15.106 1.00 60.11 H new ATOM 0 HB2 GLN A 60 -8.862 -19.976 16.157 1.00 71.20 H new ATOM 0 HB3 GLN A 60 -7.677 -18.685 16.154 1.00 71.20 H new ATOM 0 HG2 GLN A 60 -9.118 -17.362 17.694 1.00 21.32 H new ATOM 0 HG3 GLN A 60 -10.295 -18.660 17.703 1.00 21.32 H new ATOM 0 HE21 GLN A 60 -9.829 -20.640 18.776 1.00 42.31 H new ATOM 0 HE22 GLN A 60 -8.518 -20.752 19.956 1.00 42.31 H new ATOM 907 N GLN A 61 -9.332 -19.923 13.317 1.00 11.51 N ATOM 908 CA GLN A 61 -8.854 -20.519 12.069 1.00 25.23 C ATOM 909 C GLN A 61 -9.428 -19.784 10.867 1.00 25.12 C ATOM 910 O GLN A 61 -8.701 -19.422 9.941 1.00 72.45 O ATOM 911 CB GLN A 61 -9.235 -22.005 11.986 1.00 32.13 C ATOM 912 CG GLN A 61 -8.303 -22.942 12.743 1.00 4.10 C ATOM 913 CD GLN A 61 -6.866 -22.853 12.256 1.00 71.32 C ATOM 914 OE1 GLN A 61 -6.486 -23.502 11.285 1.00 3.32 O ATOM 915 NE2 GLN A 61 -6.047 -22.077 12.945 1.00 15.31 N ATOM 0 H GLN A 61 -10.011 -20.492 13.822 1.00 11.51 H new ATOM 0 HA GLN A 61 -7.768 -20.431 12.059 1.00 25.23 H new ATOM 0 HB2 GLN A 61 -10.246 -22.129 12.373 1.00 32.13 H new ATOM 0 HB3 GLN A 61 -9.256 -22.303 10.938 1.00 32.13 H new ATOM 0 HG2 GLN A 61 -8.338 -22.703 13.806 1.00 4.10 H new ATOM 0 HG3 GLN A 61 -8.657 -23.967 12.634 1.00 4.10 H new ATOM 0 HE21 GLN A 61 -6.396 -21.551 13.747 1.00 15.31 H new ATOM 0 HE22 GLN A 61 -5.066 -22.004 12.675 1.00 15.31 H new ATOM 924 N CYS A 62 -10.735 -19.563 10.897 1.00 12.43 N ATOM 925 CA CYS A 62 -11.440 -18.966 9.772 1.00 63.15 C ATOM 926 C CYS A 62 -10.904 -17.569 9.449 1.00 45.14 C ATOM 927 O CYS A 62 -10.645 -17.260 8.284 1.00 24.33 O ATOM 928 CB CYS A 62 -12.942 -18.935 10.062 1.00 43.44 C ATOM 929 SG CYS A 62 -13.620 -20.564 10.462 1.00 5.43 S ATOM 0 H CYS A 62 -11.331 -19.790 11.693 1.00 12.43 H new ATOM 0 HA CYS A 62 -11.267 -19.581 8.889 1.00 63.15 H new ATOM 0 HB2 CYS A 62 -13.132 -18.255 10.892 1.00 43.44 H new ATOM 0 HB3 CYS A 62 -13.465 -18.533 9.195 1.00 43.44 H new ATOM 0 HG CYS A 62 -14.407 -20.954 9.504 1.00 5.43 H new ATOM 935 N LEU A 63 -10.725 -16.727 10.474 1.00 32.10 N ATOM 936 CA LEU A 63 -10.201 -15.378 10.252 1.00 54.21 C ATOM 937 C LEU A 63 -8.741 -15.441 9.804 1.00 45.12 C ATOM 938 O LEU A 63 -8.334 -14.724 8.893 1.00 0.30 O ATOM 939 CB LEU A 63 -10.383 -14.476 11.502 1.00 51.43 C ATOM 940 CG LEU A 63 -9.649 -14.898 12.799 1.00 12.23 C ATOM 941 CD1 LEU A 63 -8.191 -14.436 12.800 1.00 32.23 C ATOM 942 CD2 LEU A 63 -10.380 -14.354 14.027 1.00 43.32 C ATOM 0 H LEU A 63 -10.931 -16.952 11.447 1.00 32.10 H new ATOM 0 HA LEU A 63 -10.780 -14.918 9.451 1.00 54.21 H new ATOM 0 HB2 LEU A 63 -10.055 -13.470 11.242 1.00 51.43 H new ATOM 0 HB3 LEU A 63 -11.449 -14.417 11.722 1.00 51.43 H new ATOM 0 HG LEU A 63 -9.651 -15.987 12.838 1.00 12.23 H new ATOM 0 HD11 LEU A 63 -7.710 -14.751 13.726 1.00 32.23 H new ATOM 0 HD12 LEU A 63 -7.669 -14.878 11.951 1.00 32.23 H new ATOM 0 HD13 LEU A 63 -8.154 -13.349 12.723 1.00 32.23 H new ATOM 0 HD21 LEU A 63 -9.851 -14.659 14.930 1.00 43.32 H new ATOM 0 HD22 LEU A 63 -10.415 -13.266 13.977 1.00 43.32 H new ATOM 0 HD23 LEU A 63 -11.396 -14.749 14.050 1.00 43.32 H new ATOM 954 N GLN A 64 -7.972 -16.331 10.428 1.00 23.35 N ATOM 955 CA GLN A 64 -6.551 -16.476 10.125 1.00 61.05 C ATOM 956 C GLN A 64 -6.345 -16.895 8.674 1.00 42.03 C ATOM 957 O GLN A 64 -5.469 -16.383 7.980 1.00 43.03 O ATOM 958 CB GLN A 64 -5.914 -17.513 11.064 1.00 61.12 C ATOM 959 CG GLN A 64 -4.441 -17.794 10.774 1.00 33.54 C ATOM 960 CD GLN A 64 -3.802 -18.763 11.759 1.00 74.01 C ATOM 961 OE1 GLN A 64 -4.583 -19.698 12.284 1.00 25.14 O flip ATOM 962 NE2 GLN A 64 -2.607 -18.682 12.043 1.00 60.21 N flip ATOM 0 H GLN A 64 -8.312 -16.966 11.150 1.00 23.35 H new ATOM 0 HA GLN A 64 -6.070 -15.510 10.277 1.00 61.05 H new ATOM 0 HB2 GLN A 64 -6.011 -17.164 12.092 1.00 61.12 H new ATOM 0 HB3 GLN A 64 -6.472 -18.446 10.990 1.00 61.12 H new ATOM 0 HG2 GLN A 64 -4.348 -18.199 9.766 1.00 33.54 H new ATOM 0 HG3 GLN A 64 -3.890 -16.854 10.792 1.00 33.54 H new ATOM 0 HE21 GLN A 64 -2.031 -17.952 11.623 1.00 60.21 H new ATOM 0 HE22 GLN A 64 -2.192 -19.345 12.698 1.00 60.21 H new ATOM 971 N ARG A 65 -7.183 -17.810 8.210 1.00 40.34 N ATOM 972 CA ARG A 65 -7.017 -18.405 6.911 1.00 13.52 C ATOM 973 C ARG A 65 -7.177 -17.366 5.803 1.00 14.24 C ATOM 974 O ARG A 65 -6.350 -17.294 4.897 1.00 44.41 O ATOM 975 CB ARG A 65 -8.037 -19.524 6.772 1.00 2.22 C ATOM 976 CG ARG A 65 -8.172 -20.065 5.371 1.00 23.32 C ATOM 977 CD ARG A 65 -9.338 -21.026 5.282 1.00 54.45 C ATOM 978 NE ARG A 65 -8.962 -22.411 5.581 1.00 65.22 N ATOM 979 CZ ARG A 65 -8.696 -23.329 4.648 1.00 14.34 C ATOM 980 NH1 ARG A 65 -8.600 -22.978 3.369 1.00 74.43 N ATOM 981 NH2 ARG A 65 -8.504 -24.596 4.996 1.00 73.25 N ATOM 0 H ARG A 65 -7.991 -18.154 8.728 1.00 40.34 H new ATOM 0 HA ARG A 65 -6.010 -18.810 6.814 1.00 13.52 H new ATOM 0 HB2 ARG A 65 -7.759 -20.340 7.439 1.00 2.22 H new ATOM 0 HB3 ARG A 65 -9.009 -19.158 7.104 1.00 2.22 H new ATOM 0 HG2 ARG A 65 -8.317 -19.243 4.670 1.00 23.32 H new ATOM 0 HG3 ARG A 65 -7.252 -20.573 5.081 1.00 23.32 H new ATOM 0 HD2 ARG A 65 -10.117 -20.709 5.975 1.00 54.45 H new ATOM 0 HD3 ARG A 65 -9.765 -20.979 4.280 1.00 54.45 H new ATOM 0 HE ARG A 65 -8.900 -22.690 6.560 1.00 65.22 H new ATOM 0 HH11 ARG A 65 -8.730 -22.004 3.096 1.00 74.43 H new ATOM 0 HH12 ARG A 65 -8.397 -23.683 2.661 1.00 74.43 H new ATOM 0 HH21 ARG A 65 -8.560 -24.869 5.977 1.00 73.25 H new ATOM 0 HH22 ARG A 65 -8.301 -25.296 4.282 1.00 73.25 H new ATOM 995 N ILE A 66 -8.230 -16.557 5.888 1.00 5.32 N ATOM 996 CA ILE A 66 -8.500 -15.550 4.864 1.00 74.32 C ATOM 997 C ILE A 66 -7.464 -14.434 4.910 1.00 34.13 C ATOM 998 O ILE A 66 -7.037 -13.927 3.866 1.00 70.50 O ATOM 999 CB ILE A 66 -9.923 -14.948 4.992 1.00 74.43 C ATOM 1000 CG1 ILE A 66 -10.158 -14.365 6.395 1.00 1.20 C ATOM 1001 CG2 ILE A 66 -10.976 -16.003 4.669 1.00 14.24 C ATOM 1002 CD1 ILE A 66 -11.456 -13.592 6.521 1.00 42.21 C ATOM 0 H ILE A 66 -8.907 -16.578 6.651 1.00 5.32 H new ATOM 0 HA ILE A 66 -8.437 -16.060 3.903 1.00 74.32 H new ATOM 0 HB ILE A 66 -10.010 -14.133 4.273 1.00 74.43 H new ATOM 0 HG12 ILE A 66 -10.156 -15.177 7.122 1.00 1.20 H new ATOM 0 HG13 ILE A 66 -9.327 -13.707 6.650 1.00 1.20 H new ATOM 0 HG21 ILE A 66 -11.970 -15.566 4.763 1.00 14.24 H new ATOM 0 HG22 ILE A 66 -10.832 -16.361 3.649 1.00 14.24 H new ATOM 0 HG23 ILE A 66 -10.880 -16.838 5.363 1.00 14.24 H new ATOM 0 HD11 ILE A 66 -11.555 -13.210 7.537 1.00 42.21 H new ATOM 0 HD12 ILE A 66 -11.453 -12.758 5.819 1.00 42.21 H new ATOM 0 HD13 ILE A 66 -12.295 -14.251 6.298 1.00 42.21 H new ATOM 1014 N GLU A 67 -7.045 -14.064 6.117 1.00 53.30 N ATOM 1015 CA GLU A 67 -6.035 -13.032 6.288 1.00 71.01 C ATOM 1016 C GLU A 67 -4.720 -13.471 5.652 1.00 51.43 C ATOM 1017 O GLU A 67 -4.138 -12.740 4.856 1.00 55.34 O ATOM 1018 CB GLU A 67 -5.841 -12.704 7.774 1.00 61.10 C ATOM 1019 CG GLU A 67 -7.043 -12.010 8.412 1.00 14.42 C ATOM 1020 CD GLU A 67 -7.265 -10.601 7.883 1.00 33.42 C ATOM 1021 OE1 GLU A 67 -7.827 -10.453 6.777 1.00 43.23 O ATOM 1022 OE2 GLU A 67 -6.861 -9.634 8.565 1.00 24.22 O ATOM 0 H GLU A 67 -7.391 -14.465 6.989 1.00 53.30 H new ATOM 0 HA GLU A 67 -6.375 -12.126 5.786 1.00 71.01 H new ATOM 0 HB2 GLU A 67 -5.635 -13.627 8.317 1.00 61.10 H new ATOM 0 HB3 GLU A 67 -4.964 -12.067 7.885 1.00 61.10 H new ATOM 0 HG2 GLU A 67 -7.938 -12.605 8.231 1.00 14.42 H new ATOM 0 HG3 GLU A 67 -6.901 -11.969 9.492 1.00 14.42 H new ATOM 1029 N GLN A 68 -4.284 -14.689 5.961 1.00 2.11 N ATOM 1030 CA GLN A 68 -3.039 -15.227 5.406 1.00 35.25 C ATOM 1031 C GLN A 68 -3.200 -15.602 3.924 1.00 3.20 C ATOM 1032 O GLN A 68 -2.332 -16.257 3.340 1.00 2.44 O ATOM 1033 CB GLN A 68 -2.579 -16.450 6.208 1.00 75.11 C ATOM 1034 CG GLN A 68 -2.447 -16.191 7.704 1.00 72.43 C ATOM 1035 CD GLN A 68 -1.943 -17.400 8.472 1.00 64.25 C ATOM 1036 OE1 GLN A 68 -1.351 -17.160 9.631 1.00 23.20 O flip ATOM 1037 NE2 GLN A 68 -2.115 -18.544 8.043 1.00 13.54 N flip ATOM 0 H GLN A 68 -4.772 -15.324 6.592 1.00 2.11 H new ATOM 0 HA GLN A 68 -2.282 -14.446 5.478 1.00 35.25 H new ATOM 0 HB2 GLN A 68 -3.287 -17.263 6.051 1.00 75.11 H new ATOM 0 HB3 GLN A 68 -1.617 -16.786 5.821 1.00 75.11 H new ATOM 0 HG2 GLN A 68 -1.765 -15.356 7.864 1.00 72.43 H new ATOM 0 HG3 GLN A 68 -3.417 -15.892 8.103 1.00 72.43 H new ATOM 0 HE21 GLN A 68 -2.576 -18.688 7.144 1.00 13.54 H new ATOM 0 HE22 GLN A 68 -1.796 -19.346 8.587 1.00 13.54 H new ATOM 1046 N LEU A 69 -4.337 -15.227 3.338 1.00 70.13 N ATOM 1047 CA LEU A 69 -4.552 -15.340 1.893 1.00 22.31 C ATOM 1048 C LEU A 69 -4.425 -13.972 1.221 1.00 33.43 C ATOM 1049 O LEU A 69 -3.514 -13.738 0.430 1.00 63.24 O ATOM 1050 CB LEU A 69 -5.924 -15.957 1.575 1.00 23.42 C ATOM 1051 CG LEU A 69 -6.066 -17.454 1.901 1.00 43.12 C ATOM 1052 CD1 LEU A 69 -7.481 -17.943 1.597 1.00 35.21 C ATOM 1053 CD2 LEU A 69 -5.030 -18.276 1.133 1.00 42.22 C ATOM 0 H LEU A 69 -5.131 -14.839 3.847 1.00 70.13 H new ATOM 0 HA LEU A 69 -3.782 -16.003 1.498 1.00 22.31 H new ATOM 0 HB2 LEU A 69 -6.687 -15.408 2.127 1.00 23.42 H new ATOM 0 HB3 LEU A 69 -6.132 -15.812 0.515 1.00 23.42 H new ATOM 0 HG LEU A 69 -5.883 -17.589 2.967 1.00 43.12 H new ATOM 0 HD11 LEU A 69 -7.558 -19.004 1.835 1.00 35.21 H new ATOM 0 HD12 LEU A 69 -8.197 -17.383 2.199 1.00 35.21 H new ATOM 0 HD13 LEU A 69 -7.699 -17.792 0.540 1.00 35.21 H new ATOM 0 HD21 LEU A 69 -5.148 -19.331 1.378 1.00 42.22 H new ATOM 0 HD22 LEU A 69 -5.174 -18.134 0.062 1.00 42.22 H new ATOM 0 HD23 LEU A 69 -4.028 -17.949 1.411 1.00 42.22 H new ATOM 1065 N TRP A 70 -5.351 -13.072 1.535 1.00 4.00 N ATOM 1066 CA TRP A 70 -5.401 -11.752 0.899 1.00 33.32 C ATOM 1067 C TRP A 70 -4.473 -10.767 1.615 1.00 14.11 C ATOM 1068 O TRP A 70 -3.672 -10.067 0.990 1.00 5.44 O ATOM 1069 CB TRP A 70 -6.851 -11.240 0.898 1.00 44.12 C ATOM 1070 CG TRP A 70 -7.064 -9.985 0.101 1.00 4.32 C ATOM 1071 CD1 TRP A 70 -6.898 -9.830 -1.247 1.00 43.22 C ATOM 1072 CD2 TRP A 70 -7.502 -8.716 0.599 1.00 25.42 C ATOM 1073 NE1 TRP A 70 -7.198 -8.542 -1.615 1.00 41.21 N ATOM 1074 CE2 TRP A 70 -7.571 -7.838 -0.499 1.00 11.33 C ATOM 1075 CE3 TRP A 70 -7.841 -8.237 1.867 1.00 42.41 C ATOM 1076 CZ2 TRP A 70 -7.965 -6.508 -0.366 1.00 23.42 C ATOM 1077 CZ3 TRP A 70 -8.232 -6.919 1.999 1.00 45.11 C ATOM 1078 CH2 TRP A 70 -8.291 -6.067 0.888 1.00 22.44 C ATOM 0 H TRP A 70 -6.082 -13.230 2.229 1.00 4.00 H new ATOM 0 HA TRP A 70 -5.055 -11.839 -0.131 1.00 33.32 H new ATOM 0 HB2 TRP A 70 -7.499 -12.022 0.503 1.00 44.12 H new ATOM 0 HB3 TRP A 70 -7.161 -11.059 1.927 1.00 44.12 H new ATOM 0 HD1 TRP A 70 -6.577 -10.608 -1.924 1.00 43.22 H new ATOM 0 HE1 TRP A 70 -7.151 -8.170 -2.563 1.00 41.21 H new ATOM 0 HE3 TRP A 70 -7.798 -8.886 2.729 1.00 42.41 H new ATOM 0 HZ2 TRP A 70 -8.011 -5.850 -1.221 1.00 23.42 H new ATOM 0 HZ3 TRP A 70 -8.497 -6.539 2.975 1.00 45.11 H new ATOM 0 HH2 TRP A 70 -8.600 -5.041 1.024 1.00 22.44 H new ATOM 1089 N THR A 71 -4.591 -10.738 2.935 1.00 54.12 N ATOM 1090 CA THR A 71 -3.812 -9.855 3.794 1.00 14.01 C ATOM 1091 C THR A 71 -2.375 -10.371 3.971 1.00 15.51 C ATOM 1092 O THR A 71 -1.521 -9.672 4.519 1.00 20.13 O ATOM 1093 CB THR A 71 -4.501 -9.698 5.169 1.00 13.44 C ATOM 1094 OG1 THR A 71 -5.891 -9.390 4.980 1.00 21.02 O ATOM 1095 CG2 THR A 71 -3.852 -8.594 5.995 1.00 55.35 C ATOM 0 H THR A 71 -5.240 -11.336 3.447 1.00 54.12 H new ATOM 0 HA THR A 71 -3.759 -8.879 3.312 1.00 14.01 H new ATOM 0 HB THR A 71 -4.393 -10.639 5.708 1.00 13.44 H new ATOM 0 HG1 THR A 71 -6.430 -9.906 5.616 1.00 21.02 H new ATOM 0 HG21 THR A 71 -4.361 -8.511 6.955 1.00 55.35 H new ATOM 0 HG22 THR A 71 -2.802 -8.833 6.161 1.00 55.35 H new ATOM 0 HG23 THR A 71 -3.928 -7.647 5.461 1.00 55.35 H new ATOM 1103 N ASP A 72 -2.142 -11.612 3.521 1.00 23.54 N ATOM 1104 CA ASP A 72 -0.863 -12.330 3.692 1.00 73.31 C ATOM 1105 C ASP A 72 0.364 -11.439 3.465 1.00 64.32 C ATOM 1106 O ASP A 72 1.454 -11.736 3.960 1.00 42.51 O ATOM 1107 CB ASP A 72 -0.806 -13.522 2.728 1.00 14.44 C ATOM 1108 CG ASP A 72 0.532 -14.256 2.739 1.00 72.24 C ATOM 1109 OD1 ASP A 72 0.896 -14.843 3.777 1.00 33.45 O ATOM 1110 OD2 ASP A 72 1.225 -14.265 1.698 1.00 35.04 O ATOM 0 H ASP A 72 -2.844 -12.156 3.020 1.00 23.54 H new ATOM 0 HA ASP A 72 -0.830 -12.667 4.728 1.00 73.31 H new ATOM 0 HB2 ASP A 72 -1.598 -14.225 2.986 1.00 14.44 H new ATOM 0 HB3 ASP A 72 -1.009 -13.170 1.717 1.00 14.44 H new ATOM 1115 N MET A 73 0.189 -10.357 2.709 1.00 3.33 N ATOM 1116 CA MET A 73 1.257 -9.384 2.491 1.00 42.30 C ATOM 1117 C MET A 73 1.595 -8.649 3.792 1.00 21.21 C ATOM 1118 O MET A 73 1.258 -7.477 3.964 1.00 61.04 O ATOM 1119 CB MET A 73 0.861 -8.380 1.395 1.00 75.02 C ATOM 1120 CG MET A 73 0.731 -9.002 0.013 1.00 60.21 C ATOM 1121 SD MET A 73 2.297 -9.650 -0.607 1.00 34.12 S ATOM 1122 CE MET A 73 3.296 -8.161 -0.661 1.00 71.41 C ATOM 0 H MET A 73 -0.686 -10.132 2.236 1.00 3.33 H new ATOM 0 HA MET A 73 2.145 -9.923 2.160 1.00 42.30 H new ATOM 0 HB2 MET A 73 -0.088 -7.916 1.665 1.00 75.02 H new ATOM 0 HB3 MET A 73 1.606 -7.585 1.357 1.00 75.02 H new ATOM 0 HG2 MET A 73 -0.002 -9.807 0.049 1.00 60.21 H new ATOM 0 HG3 MET A 73 0.350 -8.255 -0.683 1.00 60.21 H new ATOM 0 HE1 MET A 73 4.130 -8.307 -1.348 1.00 71.41 H new ATOM 0 HE2 MET A 73 2.686 -7.326 -1.004 1.00 71.41 H new ATOM 0 HE3 MET A 73 3.681 -7.945 0.336 1.00 71.41 H new ATOM 1132 N VAL A 74 2.244 -9.361 4.708 1.00 33.41 N ATOM 1133 CA VAL A 74 2.656 -8.804 5.987 1.00 45.22 C ATOM 1134 C VAL A 74 4.007 -8.101 5.846 1.00 1.21 C ATOM 1135 O VAL A 74 4.926 -8.635 5.217 1.00 54.40 O ATOM 1136 CB VAL A 74 2.738 -9.908 7.083 1.00 10.10 C ATOM 1137 CG1 VAL A 74 3.616 -11.072 6.624 1.00 23.42 C ATOM 1138 CG2 VAL A 74 3.244 -9.343 8.416 1.00 71.12 C ATOM 0 H VAL A 74 2.498 -10.341 4.582 1.00 33.41 H new ATOM 0 HA VAL A 74 1.905 -8.077 6.295 1.00 45.22 H new ATOM 0 HB VAL A 74 1.727 -10.283 7.243 1.00 10.10 H new ATOM 0 HG11 VAL A 74 3.656 -11.829 7.408 1.00 23.42 H new ATOM 0 HG12 VAL A 74 3.196 -11.510 5.718 1.00 23.42 H new ATOM 0 HG13 VAL A 74 4.623 -10.709 6.418 1.00 23.42 H new ATOM 0 HG21 VAL A 74 3.288 -10.142 9.156 1.00 71.12 H new ATOM 0 HG22 VAL A 74 4.239 -8.921 8.278 1.00 71.12 H new ATOM 0 HG23 VAL A 74 2.565 -8.564 8.762 1.00 71.12 H new ATOM 1148 N PRO A 75 4.134 -6.882 6.402 1.00 55.42 N ATOM 1149 CA PRO A 75 5.387 -6.118 6.364 1.00 60.35 C ATOM 1150 C PRO A 75 6.502 -6.794 7.171 1.00 72.13 C ATOM 1151 O PRO A 75 6.354 -7.928 7.630 1.00 1.32 O ATOM 1152 CB PRO A 75 5.006 -4.758 6.990 1.00 71.04 C ATOM 1153 CG PRO A 75 3.510 -4.720 6.974 1.00 45.31 C ATOM 1154 CD PRO A 75 3.068 -6.149 7.103 1.00 22.00 C ATOM 0 HA PRO A 75 5.781 -6.032 5.352 1.00 60.35 H new ATOM 0 HB2 PRO A 75 5.391 -4.671 8.006 1.00 71.04 H new ATOM 0 HB3 PRO A 75 5.426 -3.931 6.418 1.00 71.04 H new ATOM 0 HG2 PRO A 75 3.125 -4.115 7.795 1.00 45.31 H new ATOM 0 HG3 PRO A 75 3.139 -4.277 6.050 1.00 45.31 H new ATOM 0 HD2 PRO A 75 2.985 -6.455 8.146 1.00 22.00 H new ATOM 0 HD3 PRO A 75 2.093 -6.314 6.644 1.00 22.00 H new ATOM 1162 N ALA A 76 7.609 -6.074 7.372 1.00 51.25 N ATOM 1163 CA ALA A 76 8.760 -6.601 8.109 1.00 24.45 C ATOM 1164 C ALA A 76 8.368 -7.026 9.526 1.00 43.13 C ATOM 1165 O ALA A 76 9.111 -7.746 10.198 1.00 43.44 O ATOM 1166 CB ALA A 76 9.870 -5.561 8.162 1.00 60.32 C ATOM 0 H ALA A 76 7.732 -5.120 7.033 1.00 51.25 H new ATOM 0 HA ALA A 76 9.121 -7.484 7.581 1.00 24.45 H new ATOM 0 HB1 ALA A 76 10.720 -5.964 8.712 1.00 60.32 H new ATOM 0 HB2 ALA A 76 10.181 -5.308 7.148 1.00 60.32 H new ATOM 0 HB3 ALA A 76 9.505 -4.665 8.664 1.00 60.32 H new ATOM 1172 N SER A 77 7.193 -6.578 9.964 1.00 71.53 N ATOM 1173 CA SER A 77 6.679 -6.879 11.293 1.00 24.45 C ATOM 1174 C SER A 77 6.566 -8.387 11.530 1.00 52.41 C ATOM 1175 O SER A 77 6.539 -8.844 12.675 1.00 1.13 O ATOM 1176 CB SER A 77 5.326 -6.193 11.481 1.00 43.23 C ATOM 1177 OG SER A 77 5.421 -4.810 11.167 1.00 75.44 O ATOM 0 H SER A 77 6.571 -5.995 9.404 1.00 71.53 H new ATOM 0 HA SER A 77 7.384 -6.496 12.031 1.00 24.45 H new ATOM 0 HB2 SER A 77 4.580 -6.666 10.843 1.00 43.23 H new ATOM 0 HB3 SER A 77 4.989 -6.316 12.510 1.00 43.23 H new ATOM 0 HG SER A 77 4.546 -4.386 11.291 1.00 75.44 H new ATOM 1183 N VAL A 78 6.518 -9.160 10.445 1.00 50.43 N ATOM 1184 CA VAL A 78 6.524 -10.616 10.550 1.00 1.34 C ATOM 1185 C VAL A 78 7.756 -11.084 11.334 1.00 72.15 C ATOM 1186 O VAL A 78 7.661 -11.955 12.197 1.00 61.33 O ATOM 1187 CB VAL A 78 6.493 -11.297 9.153 1.00 12.41 C ATOM 1188 CG1 VAL A 78 7.681 -10.865 8.294 1.00 13.13 C ATOM 1189 CG2 VAL A 78 6.442 -12.820 9.289 1.00 22.14 C ATOM 0 H VAL A 78 6.475 -8.804 9.490 1.00 50.43 H new ATOM 0 HA VAL A 78 5.620 -10.911 11.083 1.00 1.34 H new ATOM 0 HB VAL A 78 5.585 -10.970 8.647 1.00 12.41 H new ATOM 0 HG11 VAL A 78 7.628 -11.360 7.324 1.00 13.13 H new ATOM 0 HG12 VAL A 78 7.654 -9.785 8.152 1.00 13.13 H new ATOM 0 HG13 VAL A 78 8.610 -11.142 8.792 1.00 13.13 H new ATOM 0 HG21 VAL A 78 6.421 -13.273 8.298 1.00 22.14 H new ATOM 0 HG22 VAL A 78 7.324 -13.167 9.828 1.00 22.14 H new ATOM 0 HG23 VAL A 78 5.545 -13.106 9.838 1.00 22.14 H new ATOM 1199 N ARG A 79 8.903 -10.459 11.046 1.00 61.45 N ATOM 1200 CA ARG A 79 10.160 -10.770 11.728 1.00 14.22 C ATOM 1201 C ARG A 79 10.065 -10.414 13.210 1.00 51.30 C ATOM 1202 O ARG A 79 10.587 -11.128 14.066 1.00 43.03 O ATOM 1203 CB ARG A 79 11.318 -9.997 11.075 1.00 63.44 C ATOM 1204 CG ARG A 79 11.701 -10.507 9.685 1.00 63.40 C ATOM 1205 CD ARG A 79 12.466 -11.825 9.758 1.00 74.44 C ATOM 1206 NE ARG A 79 13.727 -11.681 10.493 1.00 53.13 N ATOM 1207 CZ ARG A 79 14.850 -12.351 10.215 1.00 42.11 C ATOM 1208 NH1 ARG A 79 14.879 -13.256 9.243 1.00 73.33 N ATOM 1209 NH2 ARG A 79 15.950 -12.121 10.918 1.00 64.44 N ATOM 0 H ARG A 79 8.984 -9.729 10.338 1.00 61.45 H new ATOM 0 HA ARG A 79 10.350 -11.840 11.638 1.00 14.22 H new ATOM 0 HB2 ARG A 79 11.043 -8.945 11.002 1.00 63.44 H new ATOM 0 HB3 ARG A 79 12.191 -10.054 11.725 1.00 63.44 H new ATOM 0 HG2 ARG A 79 10.800 -10.642 9.086 1.00 63.40 H new ATOM 0 HG3 ARG A 79 12.312 -9.759 9.179 1.00 63.40 H new ATOM 0 HD2 ARG A 79 11.846 -12.579 10.243 1.00 74.44 H new ATOM 0 HD3 ARG A 79 12.672 -12.183 8.749 1.00 74.44 H new ATOM 0 HE ARG A 79 13.749 -11.023 11.272 1.00 53.13 H new ATOM 0 HH11 ARG A 79 14.038 -13.447 8.698 1.00 73.33 H new ATOM 0 HH12 ARG A 79 15.742 -13.760 9.041 1.00 73.33 H new ATOM 0 HH21 ARG A 79 15.940 -11.433 11.671 1.00 64.44 H new ATOM 0 HH22 ARG A 79 16.807 -12.632 10.706 1.00 64.44 H new ATOM 1223 N GLU A 80 9.373 -9.313 13.488 1.00 45.44 N ATOM 1224 CA GLU A 80 9.206 -8.811 14.851 1.00 22.12 C ATOM 1225 C GLU A 80 8.468 -9.843 15.708 1.00 4.33 C ATOM 1226 O GLU A 80 8.788 -10.049 16.883 1.00 13.03 O ATOM 1227 CB GLU A 80 8.401 -7.499 14.817 1.00 62.53 C ATOM 1228 CG GLU A 80 8.429 -6.699 16.117 1.00 73.11 C ATOM 1229 CD GLU A 80 9.586 -5.713 16.173 1.00 33.40 C ATOM 1230 OE1 GLU A 80 10.723 -6.128 16.479 1.00 51.44 O ATOM 1231 OE2 GLU A 80 9.362 -4.512 15.892 1.00 33.42 O ATOM 0 H GLU A 80 8.913 -8.744 12.778 1.00 45.44 H new ATOM 0 HA GLU A 80 10.189 -8.629 15.286 1.00 22.12 H new ATOM 0 HB2 GLU A 80 8.787 -6.873 14.013 1.00 62.53 H new ATOM 0 HB3 GLU A 80 7.365 -7.731 14.571 1.00 62.53 H new ATOM 0 HG2 GLU A 80 7.489 -6.157 16.226 1.00 73.11 H new ATOM 0 HG3 GLU A 80 8.501 -7.386 16.960 1.00 73.11 H new ATOM 1238 N HIS A 81 7.490 -10.502 15.089 1.00 54.53 N ATOM 1239 CA HIS A 81 6.586 -11.403 15.800 1.00 0.23 C ATOM 1240 C HIS A 81 7.179 -12.804 15.958 1.00 2.25 C ATOM 1241 O HIS A 81 6.871 -13.500 16.927 1.00 34.22 O ATOM 1242 CB HIS A 81 5.243 -11.491 15.064 1.00 32.20 C ATOM 1243 CG HIS A 81 4.136 -12.060 15.899 1.00 2.42 C ATOM 1244 ND1 HIS A 81 3.186 -11.274 16.505 1.00 13.53 N ATOM 1245 CD2 HIS A 81 3.825 -13.338 16.226 1.00 0.35 C ATOM 1246 CE1 HIS A 81 2.341 -12.033 17.170 1.00 43.44 C ATOM 1247 NE2 HIS A 81 2.704 -13.295 17.018 1.00 2.53 N ATOM 0 H HIS A 81 7.303 -10.427 14.089 1.00 54.53 H new ATOM 0 HA HIS A 81 6.435 -10.991 16.798 1.00 0.23 H new ATOM 0 HB2 HIS A 81 4.957 -10.495 14.727 1.00 32.20 H new ATOM 0 HB3 HIS A 81 5.367 -12.106 14.172 1.00 32.20 H new ATOM 0 HD1 HIS A 81 3.142 -10.257 16.448 1.00 13.53 H new ATOM 0 HD2 HIS A 81 4.360 -14.225 15.920 1.00 0.35 H new ATOM 0 HE1 HIS A 81 1.495 -11.684 17.743 1.00 43.44 H new ATOM 1256 N LEU A 82 8.013 -13.220 15.000 1.00 52.02 N ATOM 1257 CA LEU A 82 8.593 -14.572 15.008 1.00 15.11 C ATOM 1258 C LEU A 82 9.253 -14.881 16.352 1.00 65.10 C ATOM 1259 O LEU A 82 9.036 -15.948 16.937 1.00 73.43 O ATOM 1260 CB LEU A 82 9.626 -14.739 13.879 1.00 12.10 C ATOM 1261 CG LEU A 82 9.067 -14.659 12.446 1.00 72.24 C ATOM 1262 CD1 LEU A 82 10.188 -14.807 11.419 1.00 41.43 C ATOM 1263 CD2 LEU A 82 7.983 -15.714 12.223 1.00 53.35 C ATOM 0 H LEU A 82 8.303 -12.644 14.210 1.00 52.02 H new ATOM 0 HA LEU A 82 7.775 -15.274 14.846 1.00 15.11 H new ATOM 0 HB2 LEU A 82 10.391 -13.971 13.995 1.00 12.10 H new ATOM 0 HB3 LEU A 82 10.120 -15.702 14.003 1.00 12.10 H new ATOM 0 HG LEU A 82 8.613 -13.677 12.315 1.00 72.24 H new ATOM 0 HD11 LEU A 82 9.771 -14.748 10.414 1.00 41.43 H new ATOM 0 HD12 LEU A 82 10.916 -14.008 11.558 1.00 41.43 H new ATOM 0 HD13 LEU A 82 10.678 -15.771 11.552 1.00 41.43 H new ATOM 0 HD21 LEU A 82 7.604 -15.637 11.204 1.00 53.35 H new ATOM 0 HD22 LEU A 82 8.404 -16.707 12.379 1.00 53.35 H new ATOM 0 HD23 LEU A 82 7.167 -15.551 12.927 1.00 53.35 H new ATOM 1275 N ASN A 83 10.049 -13.936 16.834 1.00 23.21 N ATOM 1276 CA ASN A 83 10.765 -14.084 18.094 1.00 34.30 C ATOM 1277 C ASN A 83 10.955 -12.715 18.732 1.00 64.54 C ATOM 1278 O ASN A 83 11.663 -11.867 18.180 1.00 24.35 O ATOM 1279 CB ASN A 83 12.129 -14.751 17.863 1.00 5.33 C ATOM 1280 CG ASN A 83 12.984 -14.796 19.122 1.00 13.22 C ATOM 1281 OD1 ASN A 83 12.921 -15.750 19.895 1.00 20.11 O ATOM 1282 ND2 ASN A 83 13.783 -13.760 19.337 1.00 42.20 N ATOM 0 H ASN A 83 10.216 -13.047 16.363 1.00 23.21 H new ATOM 0 HA ASN A 83 10.181 -14.718 18.761 1.00 34.30 H new ATOM 0 HB2 ASN A 83 11.975 -15.766 17.498 1.00 5.33 H new ATOM 0 HB3 ASN A 83 12.666 -14.210 17.084 1.00 5.33 H new ATOM 0 HD21 ASN A 83 14.374 -13.736 20.168 1.00 42.20 H new ATOM 0 HD22 ASN A 83 13.807 -12.987 18.671 1.00 42.20 H new ATOM 1289 N GLN A 84 10.319 -12.497 19.881 1.00 54.12 N ATOM 1290 CA GLN A 84 10.424 -11.224 20.584 1.00 32.44 C ATOM 1291 C GLN A 84 11.861 -11.009 21.060 1.00 35.52 C ATOM 1292 O GLN A 84 12.238 -11.399 22.167 1.00 62.41 O ATOM 1293 CB GLN A 84 9.435 -11.156 21.757 1.00 74.55 C ATOM 1294 CG GLN A 84 9.410 -9.801 22.457 1.00 74.02 C ATOM 1295 CD GLN A 84 8.252 -9.662 23.431 1.00 54.40 C ATOM 1296 OE1 GLN A 84 8.367 -9.991 24.611 1.00 71.43 O ATOM 1297 NE2 GLN A 84 7.122 -9.176 22.939 1.00 3.04 N ATOM 0 H GLN A 84 9.726 -13.186 20.343 1.00 54.12 H new ATOM 0 HA GLN A 84 10.163 -10.422 19.893 1.00 32.44 H new ATOM 0 HB2 GLN A 84 8.434 -11.385 21.391 1.00 74.55 H new ATOM 0 HB3 GLN A 84 9.693 -11.926 22.484 1.00 74.55 H new ATOM 0 HG2 GLN A 84 10.348 -9.657 22.992 1.00 74.02 H new ATOM 0 HG3 GLN A 84 9.346 -9.012 21.708 1.00 74.02 H new ATOM 0 HE21 GLN A 84 7.065 -8.914 21.955 1.00 3.04 H new ATOM 0 HE22 GLN A 84 6.309 -9.064 23.544 1.00 3.04 H new ATOM 1306 N HIS A 85 12.661 -10.440 20.169 1.00 50.13 N ATOM 1307 CA HIS A 85 14.065 -10.147 20.434 1.00 23.14 C ATOM 1308 C HIS A 85 14.216 -9.099 21.537 1.00 22.41 C ATOM 1309 O HIS A 85 13.244 -8.444 21.924 1.00 2.45 O ATOM 1310 CB HIS A 85 14.743 -9.653 19.150 1.00 52.30 C ATOM 1311 CG HIS A 85 14.206 -8.341 18.652 1.00 34.32 C ATOM 1312 ND1 HIS A 85 15.013 -7.282 18.304 1.00 73.50 N ATOM 1313 CD2 HIS A 85 12.933 -7.924 18.438 1.00 52.32 C ATOM 1314 CE1 HIS A 85 14.263 -6.273 17.901 1.00 52.11 C ATOM 1315 NE2 HIS A 85 12.998 -6.638 17.972 1.00 52.35 N ATOM 0 H HIS A 85 12.353 -10.167 19.236 1.00 50.13 H new ATOM 0 HA HIS A 85 14.545 -11.065 20.773 1.00 23.14 H new ATOM 0 HB2 HIS A 85 15.813 -9.553 19.330 1.00 52.30 H new ATOM 0 HB3 HIS A 85 14.619 -10.406 18.371 1.00 52.30 H new ATOM 0 HD2 HIS A 85 12.035 -8.500 18.604 1.00 52.32 H new ATOM 0 HE1 HIS A 85 14.625 -5.311 17.569 1.00 52.11 H new ATOM 0 HE2 HIS A 85 12.198 -6.057 17.721 1.00 52.35 H new ATOM 1324 N SER A 86 15.442 -8.940 22.021 1.00 2.41 N ATOM 1325 CA SER A 86 15.749 -7.954 23.047 1.00 53.33 C ATOM 1326 C SER A 86 15.481 -6.537 22.534 1.00 3.22 C ATOM 1327 O SER A 86 16.338 -5.919 21.898 1.00 51.12 O ATOM 1328 CB SER A 86 17.210 -8.111 23.500 1.00 53.13 C ATOM 1329 OG SER A 86 18.080 -8.310 22.392 1.00 2.23 O ATOM 0 H SER A 86 16.246 -9.488 21.715 1.00 2.41 H new ATOM 0 HA SER A 86 15.099 -8.123 23.906 1.00 53.33 H new ATOM 0 HB2 SER A 86 17.519 -7.223 24.052 1.00 53.13 H new ATOM 0 HB3 SER A 86 17.291 -8.956 24.184 1.00 53.13 H new ATOM 0 HG SER A 86 17.923 -7.611 21.723 1.00 2.23 H new ATOM 1335 N GLY A 87 14.272 -6.052 22.785 1.00 74.42 N ATOM 1336 CA GLY A 87 13.877 -4.733 22.339 1.00 31.33 C ATOM 1337 C GLY A 87 12.399 -4.492 22.572 1.00 32.32 C ATOM 1338 O GLY A 87 11.867 -4.898 23.610 1.00 53.13 O ATOM 0 H GLY A 87 13.550 -6.558 23.297 1.00 74.42 H new ATOM 0 HA2 GLY A 87 14.459 -3.978 22.869 1.00 31.33 H new ATOM 0 HA3 GLY A 87 14.103 -4.623 21.278 1.00 31.33 H new ATOM 1342 N PRO A 88 11.702 -3.841 21.627 1.00 70.20 N ATOM 1343 CA PRO A 88 10.267 -3.582 21.741 1.00 73.53 C ATOM 1344 C PRO A 88 9.421 -4.776 21.296 1.00 3.41 C ATOM 1345 O PRO A 88 9.921 -5.704 20.654 1.00 45.03 O ATOM 1346 CB PRO A 88 10.067 -2.393 20.801 1.00 5.34 C ATOM 1347 CG PRO A 88 11.080 -2.600 19.722 1.00 11.52 C ATOM 1348 CD PRO A 88 12.257 -3.299 20.370 1.00 42.10 C ATOM 0 HA PRO A 88 9.957 -3.394 22.769 1.00 73.53 H new ATOM 0 HB2 PRO A 88 9.055 -2.371 20.397 1.00 5.34 H new ATOM 0 HB3 PRO A 88 10.224 -1.446 21.318 1.00 5.34 H new ATOM 0 HG2 PRO A 88 10.668 -3.203 18.913 1.00 11.52 H new ATOM 0 HG3 PRO A 88 11.385 -1.648 19.287 1.00 11.52 H new ATOM 0 HD2 PRO A 88 12.651 -4.091 19.733 1.00 42.10 H new ATOM 0 HD3 PRO A 88 13.077 -2.607 20.561 1.00 42.10 H new ATOM 1356 N GLY A 89 8.142 -4.742 21.648 1.00 45.11 N ATOM 1357 CA GLY A 89 7.209 -5.777 21.237 1.00 73.43 C ATOM 1358 C GLY A 89 5.914 -5.182 20.718 1.00 22.31 C ATOM 1359 O GLY A 89 5.894 -4.016 20.310 1.00 11.13 O ATOM 0 H GLY A 89 7.728 -4.005 22.219 1.00 45.11 H new ATOM 0 HA2 GLY A 89 7.665 -6.392 20.461 1.00 73.43 H new ATOM 0 HA3 GLY A 89 6.997 -6.433 22.081 1.00 73.43 H new ATOM 1363 N ILE A 90 4.839 -5.972 20.746 1.00 5.14 N ATOM 1364 CA ILE A 90 3.527 -5.534 20.259 1.00 21.42 C ATOM 1365 C ILE A 90 3.631 -5.052 18.808 1.00 23.35 C ATOM 1366 O ILE A 90 3.788 -3.860 18.538 1.00 33.33 O ATOM 1367 CB ILE A 90 2.919 -4.420 21.156 1.00 44.04 C ATOM 1368 CG1 ILE A 90 2.905 -4.870 22.630 1.00 14.02 C ATOM 1369 CG2 ILE A 90 1.506 -4.057 20.688 1.00 43.22 C ATOM 1370 CD1 ILE A 90 2.438 -3.800 23.595 1.00 22.10 C ATOM 0 H ILE A 90 4.851 -6.927 21.104 1.00 5.14 H new ATOM 0 HA ILE A 90 2.857 -6.393 20.303 1.00 21.42 H new ATOM 0 HB ILE A 90 3.542 -3.530 21.071 1.00 44.04 H new ATOM 0 HG12 ILE A 90 2.257 -5.741 22.727 1.00 14.02 H new ATOM 0 HG13 ILE A 90 3.909 -5.187 22.912 1.00 14.02 H new ATOM 0 HG21 ILE A 90 1.100 -3.275 21.330 1.00 43.22 H new ATOM 0 HG22 ILE A 90 1.544 -3.698 19.659 1.00 43.22 H new ATOM 0 HG23 ILE A 90 0.867 -4.939 20.741 1.00 43.22 H new ATOM 0 HD11 ILE A 90 2.456 -4.194 24.611 1.00 22.10 H new ATOM 0 HD12 ILE A 90 3.099 -2.936 23.528 1.00 22.10 H new ATOM 0 HD13 ILE A 90 1.422 -3.499 23.341 1.00 22.10 H new ATOM 1382 N ASP A 91 3.571 -6.001 17.888 1.00 1.23 N ATOM 1383 CA ASP A 91 3.785 -5.739 16.468 1.00 74.51 C ATOM 1384 C ASP A 91 2.472 -5.754 15.692 1.00 2.04 C ATOM 1385 O ASP A 91 1.400 -5.992 16.257 1.00 62.54 O ATOM 1386 CB ASP A 91 4.719 -6.809 15.894 1.00 44.12 C ATOM 1387 CG ASP A 91 4.138 -8.207 16.051 1.00 15.41 C ATOM 1388 OD1 ASP A 91 4.261 -8.789 17.153 1.00 24.45 O ATOM 1389 OD2 ASP A 91 3.532 -8.723 15.092 1.00 43.31 O ATOM 0 H ASP A 91 3.372 -6.978 18.102 1.00 1.23 H new ATOM 0 HA ASP A 91 4.229 -4.748 16.368 1.00 74.51 H new ATOM 0 HB2 ASP A 91 4.899 -6.606 14.838 1.00 44.12 H new ATOM 0 HB3 ASP A 91 5.684 -6.757 16.398 1.00 44.12 H new ATOM 1394 N TYR A 92 2.571 -5.484 14.394 1.00 33.23 N ATOM 1395 CA TYR A 92 1.446 -5.609 13.476 1.00 55.10 C ATOM 1396 C TYR A 92 1.713 -6.728 12.473 1.00 54.42 C ATOM 1397 O TYR A 92 2.319 -6.515 11.421 1.00 72.11 O ATOM 1398 CB TYR A 92 1.178 -4.287 12.746 1.00 14.33 C ATOM 1399 CG TYR A 92 0.185 -4.412 11.600 1.00 5.32 C ATOM 1400 CD1 TYR A 92 -1.146 -4.735 11.836 1.00 64.52 C ATOM 1401 CD2 TYR A 92 0.589 -4.224 10.279 1.00 74.10 C ATOM 1402 CE1 TYR A 92 -2.044 -4.868 10.794 1.00 43.34 C ATOM 1403 CE2 TYR A 92 -0.305 -4.351 9.234 1.00 61.43 C ATOM 1404 CZ TYR A 92 -1.619 -4.677 9.496 1.00 34.30 C ATOM 1405 OH TYR A 92 -2.511 -4.816 8.456 1.00 4.12 O ATOM 0 H TYR A 92 3.435 -5.172 13.950 1.00 33.23 H new ATOM 0 HA TYR A 92 0.557 -5.856 14.056 1.00 55.10 H new ATOM 0 HB2 TYR A 92 0.803 -3.556 13.462 1.00 14.33 H new ATOM 0 HB3 TYR A 92 2.120 -3.899 12.358 1.00 14.33 H new ATOM 0 HD1 TYR A 92 -1.484 -4.885 12.851 1.00 64.52 H new ATOM 0 HD2 TYR A 92 1.619 -3.975 10.069 1.00 74.10 H new ATOM 0 HE1 TYR A 92 -3.075 -5.121 10.995 1.00 43.34 H new ATOM 0 HE2 TYR A 92 0.023 -4.196 8.217 1.00 61.43 H new ATOM 0 HH TYR A 92 -2.052 -4.647 7.607 1.00 4.12 H new ATOM 1415 N ALA A 93 1.285 -7.923 12.826 1.00 11.13 N ATOM 1416 CA ALA A 93 1.421 -9.084 11.957 1.00 53.10 C ATOM 1417 C ALA A 93 0.086 -9.407 11.296 1.00 2.23 C ATOM 1418 O ALA A 93 -0.942 -8.794 11.605 1.00 73.52 O ATOM 1419 CB ALA A 93 1.931 -10.288 12.748 1.00 75.12 C ATOM 0 H ALA A 93 0.834 -8.121 13.719 1.00 11.13 H new ATOM 0 HA ALA A 93 2.148 -8.852 11.179 1.00 53.10 H new ATOM 0 HB1 ALA A 93 2.027 -11.146 12.083 1.00 75.12 H new ATOM 0 HB2 ALA A 93 2.904 -10.054 13.180 1.00 75.12 H new ATOM 0 HB3 ALA A 93 1.227 -10.524 13.546 1.00 75.12 H new ATOM 1425 N VAL A 94 0.109 -10.358 10.372 1.00 65.13 N ATOM 1426 CA VAL A 94 -1.110 -10.836 9.742 1.00 73.34 C ATOM 1427 C VAL A 94 -1.815 -11.817 10.681 1.00 64.21 C ATOM 1428 O VAL A 94 -1.160 -12.600 11.374 1.00 24.50 O ATOM 1429 CB VAL A 94 -0.822 -11.495 8.364 1.00 52.51 C ATOM 1430 CG1 VAL A 94 0.084 -12.716 8.507 1.00 75.41 C ATOM 1431 CG2 VAL A 94 -2.123 -11.858 7.653 1.00 41.25 C ATOM 0 H VAL A 94 0.961 -10.813 10.043 1.00 65.13 H new ATOM 0 HA VAL A 94 -1.763 -9.983 9.556 1.00 73.34 H new ATOM 0 HB VAL A 94 -0.293 -10.765 7.752 1.00 52.51 H new ATOM 0 HG11 VAL A 94 0.265 -13.152 7.524 1.00 75.41 H new ATOM 0 HG12 VAL A 94 1.033 -12.415 8.951 1.00 75.41 H new ATOM 0 HG13 VAL A 94 -0.398 -13.454 9.148 1.00 75.41 H new ATOM 0 HG21 VAL A 94 -1.896 -12.318 6.691 1.00 41.25 H new ATOM 0 HG22 VAL A 94 -2.689 -12.560 8.266 1.00 41.25 H new ATOM 0 HG23 VAL A 94 -2.714 -10.956 7.494 1.00 41.25 H new ATOM 1441 N ARG A 95 -3.139 -11.736 10.730 1.00 64.15 N ATOM 1442 CA ARG A 95 -3.933 -12.558 11.641 1.00 53.51 C ATOM 1443 C ARG A 95 -3.882 -14.026 11.229 1.00 63.34 C ATOM 1444 O ARG A 95 -4.160 -14.313 10.050 1.00 22.32 O ATOM 1445 CB ARG A 95 -5.390 -12.063 11.691 1.00 22.34 C ATOM 1446 CG ARG A 95 -5.600 -10.828 12.566 1.00 23.40 C ATOM 1447 CD ARG A 95 -4.749 -9.643 12.119 1.00 44.34 C ATOM 1448 NE ARG A 95 -5.100 -9.179 10.772 1.00 74.54 N ATOM 1449 CZ ARG A 95 -4.458 -8.204 10.126 1.00 11.51 C ATOM 1450 NH1 ARG A 95 -3.361 -7.666 10.641 1.00 11.43 N ATOM 1451 NH2 ARG A 95 -4.905 -7.793 8.949 1.00 42.22 N ATOM 1452 OXT ARG A 95 -3.586 -14.877 12.095 1.00 0.00 O ATOM 0 H ARG A 95 -3.690 -11.106 10.147 1.00 64.15 H new ATOM 0 HA ARG A 95 -3.504 -12.467 12.639 1.00 53.51 H new ATOM 0 HB2 ARG A 95 -5.721 -11.837 10.677 1.00 22.34 H new ATOM 0 HB3 ARG A 95 -6.024 -12.869 12.061 1.00 22.34 H new ATOM 0 HG2 ARG A 95 -6.652 -10.545 12.542 1.00 23.40 H new ATOM 0 HG3 ARG A 95 -5.359 -11.074 13.600 1.00 23.40 H new ATOM 0 HD2 ARG A 95 -4.873 -8.823 12.826 1.00 44.34 H new ATOM 0 HD3 ARG A 95 -3.697 -9.926 12.140 1.00 44.34 H new ATOM 0 HE ARG A 95 -5.884 -9.630 10.300 1.00 74.54 H new ATOM 0 HH11 ARG A 95 -3.003 -7.997 11.537 1.00 11.43 H new ATOM 0 HH12 ARG A 95 -2.875 -6.921 10.141 1.00 11.43 H new ATOM 0 HH21 ARG A 95 -5.736 -8.221 8.541 1.00 42.22 H new ATOM 0 HH22 ARG A 95 -4.418 -7.048 8.450 1.00 42.22 H new TER 1466 ARG A 95