USER MOD reduce.3.24.130724 H: found=0, std=0, add=831, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 831 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 16 THR OG1 : rot -141:sc= 0.966 USER MOD Set 1.2: A 111 ASN :FLIP amide:sc= 1 F(o=1.2,f=2) USER MOD Set 2.1: A 7 HIS : no HD1:sc=-0.000202 X(o=-0.083,f=-0.14) USER MOD Set 2.2: A 9 MET CE :methyl -163:sc= -0.0825 (180deg=-0.548) USER MOD Single : A 1 MET CE :methyl -156:sc= -0.299 (180deg=-1.04) USER MOD Single : A 1 MET N :NH3+ -173:sc= 0 (180deg=-0.065) USER MOD Single : A 3 HIS : no HD1:sc=-0.000294 X(o=-0.00029,f=0) USER MOD Single : A 4 HIS : no HD1:sc= -0.273 X(o=-0.27,f=0) USER MOD Single : A 5 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 6 HIS : no HD1:sc= 0 X(o=0,f=-0.015) USER MOD Single : A 8 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 11 THR OG1 : rot 180:sc=0.000154 USER MOD Single : A 15 GLN : amide:sc= -1.55! C(o=-1.5!,f=-3!) USER MOD Single : A 17 GLN : amide:sc= -0.0898 K(o=-0.09,f=-0.74) USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 40 THR OG1 : rot 51:sc= 0.172 USER MOD Single : A 42 THR OG1 : rot -99:sc= 0.835 USER MOD Single : A 45 GLN : amide:sc= -2.34! C(o=-2.3!,f=-7.2!) USER MOD Single : A 47 GLN : amide:sc= -1.03 K(o=-1,f=-7.2!) USER MOD Single : A 52 LYS NZ :NH3+ -164:sc= 1.61 (180deg=0.186) USER MOD Single : A 54 THR OG1 : rot -145:sc= 1.55 USER MOD Single : A 58 SER OG : rot 180:sc= -0.0152 USER MOD Single : A 59 SER OG : rot -84:sc= 0.0196 USER MOD Single : A 61 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 68 LYS NZ :NH3+ 179:sc= 1.22 (180deg=1.16) USER MOD Single : A 73 LYS NZ :NH3+ 179:sc= 0.211 (180deg=0.187) USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 LYS NZ :NH3+ -176:sc= 0.327 (180deg=0.251) USER MOD Single : A 84 THR OG1 : rot 180:sc= -0.182 USER MOD Single : A 86 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 93 SER OG : rot 82:sc= 1.24 USER MOD Single : A 107 SER OG : rot 180:sc= 0 USER MOD Single : A 108 THR OG1 : rot 47:sc= 0.61 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 1.548 -2.099 0.310 1.00 42.33 N ATOM 2 CA MET A 1 2.438 -1.062 -0.262 1.00 64.05 C ATOM 3 C MET A 1 2.426 -1.131 -1.785 1.00 13.42 C ATOM 4 O MET A 1 2.555 -2.217 -2.358 1.00 71.30 O ATOM 5 CB MET A 1 3.875 -1.232 0.251 1.00 34.21 C ATOM 6 CG MET A 1 4.038 -0.996 1.746 1.00 22.10 C ATOM 7 SD MET A 1 5.738 -1.241 2.293 1.00 51.33 S ATOM 8 CE MET A 1 6.007 -2.947 1.805 1.00 62.53 C ATOM 0 H1 MET A 1 1.474 -1.964 1.339 1.00 42.33 H new ATOM 0 H2 MET A 1 0.604 -2.021 -0.118 1.00 42.33 H new ATOM 0 H3 MET A 1 1.941 -3.041 0.112 1.00 42.33 H new ATOM 0 HA MET A 1 2.065 -0.088 0.055 1.00 64.05 H new ATOM 0 HB2 MET A 1 4.216 -2.240 0.015 1.00 34.21 H new ATOM 0 HB3 MET A 1 4.525 -0.542 -0.287 1.00 34.21 H new ATOM 0 HG2 MET A 1 3.723 0.019 1.988 1.00 22.10 H new ATOM 0 HG3 MET A 1 3.381 -1.673 2.293 1.00 22.10 H new ATOM 0 HE1 MET A 1 6.797 -3.380 2.418 1.00 62.53 H new ATOM 0 HE2 MET A 1 5.087 -3.515 1.945 1.00 62.53 H new ATOM 0 HE3 MET A 1 6.300 -2.983 0.756 1.00 62.53 H new ATOM 20 N ALA A 2 2.262 0.030 -2.425 1.00 15.35 N ATOM 21 CA ALA A 2 2.284 0.157 -3.888 1.00 62.22 C ATOM 22 C ALA A 2 0.975 -0.329 -4.517 1.00 54.21 C ATOM 23 O ALA A 2 0.400 0.350 -5.366 1.00 13.45 O ATOM 24 CB ALA A 2 3.484 -0.574 -4.493 1.00 15.21 C ATOM 0 H ALA A 2 2.109 0.915 -1.941 1.00 15.35 H new ATOM 0 HA ALA A 2 2.387 1.218 -4.117 1.00 62.22 H new ATOM 0 HB1 ALA A 2 3.471 -0.460 -5.577 1.00 15.21 H new ATOM 0 HB2 ALA A 2 4.406 -0.151 -4.095 1.00 15.21 H new ATOM 0 HB3 ALA A 2 3.431 -1.633 -4.239 1.00 15.21 H new ATOM 30 N HIS A 3 0.512 -1.505 -4.096 1.00 62.30 N ATOM 31 CA HIS A 3 -0.739 -2.075 -4.595 1.00 61.24 C ATOM 32 C HIS A 3 -1.915 -1.128 -4.345 1.00 75.23 C ATOM 33 O HIS A 3 -2.276 -0.862 -3.195 1.00 31.12 O ATOM 34 CB HIS A 3 -1.004 -3.438 -3.930 1.00 53.45 C ATOM 35 CG HIS A 3 -2.376 -3.999 -4.197 1.00 10.41 C ATOM 36 ND1 HIS A 3 -2.677 -4.778 -5.296 1.00 44.13 N ATOM 37 CD2 HIS A 3 -3.530 -3.892 -3.493 1.00 54.24 C ATOM 38 CE1 HIS A 3 -3.953 -5.118 -5.256 1.00 44.22 C ATOM 39 NE2 HIS A 3 -4.489 -4.597 -4.172 1.00 52.33 N ATOM 0 H HIS A 3 0.988 -2.085 -3.406 1.00 62.30 H new ATOM 0 HA HIS A 3 -0.641 -2.217 -5.671 1.00 61.24 H new ATOM 0 HB2 HIS A 3 -0.258 -4.151 -4.280 1.00 53.45 H new ATOM 0 HB3 HIS A 3 -0.868 -3.337 -2.853 1.00 53.45 H new ATOM 0 HD2 HIS A 3 -3.668 -3.351 -2.568 1.00 54.24 H new ATOM 0 HE1 HIS A 3 -4.469 -5.721 -5.988 1.00 44.22 H new ATOM 0 HE2 HIS A 3 -5.462 -4.701 -3.884 1.00 52.33 H new ATOM 48 N HIS A 4 -2.497 -0.620 -5.424 1.00 45.44 N ATOM 49 CA HIS A 4 -3.686 0.223 -5.343 1.00 14.04 C ATOM 50 C HIS A 4 -4.925 -0.641 -5.554 1.00 24.20 C ATOM 51 O HIS A 4 -4.823 -1.867 -5.646 1.00 32.41 O ATOM 52 CB HIS A 4 -3.639 1.336 -6.405 1.00 31.14 C ATOM 53 CG HIS A 4 -2.387 2.164 -6.374 1.00 25.40 C ATOM 54 ND1 HIS A 4 -2.213 3.247 -5.539 1.00 41.35 N ATOM 55 CD2 HIS A 4 -1.244 2.066 -7.097 1.00 61.12 C ATOM 56 CE1 HIS A 4 -1.021 3.775 -5.749 1.00 25.52 C ATOM 57 NE2 HIS A 4 -0.413 3.078 -6.690 1.00 63.11 N ATOM 0 H HIS A 4 -2.162 -0.778 -6.374 1.00 45.44 H new ATOM 0 HA HIS A 4 -3.722 0.691 -4.359 1.00 14.04 H new ATOM 0 HB2 HIS A 4 -3.739 0.885 -7.392 1.00 31.14 H new ATOM 0 HB3 HIS A 4 -4.498 1.992 -6.266 1.00 31.14 H new ATOM 0 HD2 HIS A 4 -1.028 1.327 -7.854 1.00 61.12 H new ATOM 0 HE1 HIS A 4 -0.612 4.633 -5.237 1.00 25.52 H new ATOM 0 HE2 HIS A 4 0.522 3.262 -7.055 1.00 63.11 H new ATOM 66 N HIS A 5 -6.090 -0.011 -5.633 1.00 43.15 N ATOM 67 CA HIS A 5 -7.325 -0.727 -5.928 1.00 52.04 C ATOM 68 C HIS A 5 -8.276 0.155 -6.725 1.00 31.33 C ATOM 69 O HIS A 5 -8.891 1.076 -6.182 1.00 44.54 O ATOM 70 CB HIS A 5 -8.015 -1.205 -4.642 1.00 13.13 C ATOM 71 CG HIS A 5 -9.306 -1.932 -4.899 1.00 51.14 C ATOM 72 ND1 HIS A 5 -10.543 -1.343 -4.753 1.00 45.22 N ATOM 73 CD2 HIS A 5 -9.546 -3.204 -5.307 1.00 75.11 C ATOM 74 CE1 HIS A 5 -11.485 -2.217 -5.057 1.00 22.22 C ATOM 75 NE2 HIS A 5 -10.906 -3.351 -5.398 1.00 71.23 N ATOM 0 H HIS A 5 -6.206 0.993 -5.497 1.00 43.15 H new ATOM 0 HA HIS A 5 -7.064 -1.602 -6.523 1.00 52.04 H new ATOM 0 HB2 HIS A 5 -7.338 -1.862 -4.096 1.00 13.13 H new ATOM 0 HB3 HIS A 5 -8.211 -0.345 -4.001 1.00 13.13 H new ATOM 0 HD2 HIS A 5 -8.804 -3.959 -5.520 1.00 75.11 H new ATOM 0 HE1 HIS A 5 -12.549 -2.034 -5.031 1.00 22.22 H new ATOM 0 HE2 HIS A 5 -11.392 -4.201 -5.684 1.00 71.23 H new ATOM 84 N HIS A 6 -8.369 -0.115 -8.023 1.00 45.44 N ATOM 85 CA HIS A 6 -9.361 0.535 -8.868 1.00 65.41 C ATOM 86 C HIS A 6 -10.748 0.069 -8.445 1.00 61.41 C ATOM 87 O HIS A 6 -10.998 -1.135 -8.327 1.00 42.22 O ATOM 88 CB HIS A 6 -9.116 0.226 -10.355 1.00 63.14 C ATOM 89 CG HIS A 6 -7.860 0.838 -10.899 1.00 1.11 C ATOM 90 ND1 HIS A 6 -6.919 0.129 -11.615 1.00 42.22 N ATOM 91 CD2 HIS A 6 -7.398 2.108 -10.832 1.00 65.43 C ATOM 92 CE1 HIS A 6 -5.935 0.935 -11.964 1.00 42.01 C ATOM 93 NE2 HIS A 6 -6.200 2.142 -11.501 1.00 73.25 N ATOM 0 H HIS A 6 -7.769 -0.780 -8.511 1.00 45.44 H new ATOM 0 HA HIS A 6 -9.281 1.615 -8.745 1.00 65.41 H new ATOM 0 HB2 HIS A 6 -9.071 -0.855 -10.490 1.00 63.14 H new ATOM 0 HB3 HIS A 6 -9.966 0.584 -10.936 1.00 63.14 H new ATOM 0 HD2 HIS A 6 -7.882 2.940 -10.343 1.00 65.43 H new ATOM 0 HE1 HIS A 6 -5.061 0.655 -12.532 1.00 42.01 H new ATOM 0 HE2 HIS A 6 -5.611 2.966 -11.621 1.00 73.25 H new ATOM 102 N HIS A 7 -11.633 1.022 -8.191 1.00 41.25 N ATOM 103 CA HIS A 7 -12.966 0.717 -7.682 1.00 71.21 C ATOM 104 C HIS A 7 -13.831 0.087 -8.773 1.00 1.31 C ATOM 105 O HIS A 7 -13.440 0.040 -9.944 1.00 43.01 O ATOM 106 CB HIS A 7 -13.634 1.983 -7.125 1.00 4.24 C ATOM 107 CG HIS A 7 -13.966 3.020 -8.160 1.00 51.54 C ATOM 108 ND1 HIS A 7 -13.105 4.039 -8.508 1.00 41.15 N ATOM 109 CD2 HIS A 7 -15.079 3.198 -8.914 1.00 64.14 C ATOM 110 CE1 HIS A 7 -13.674 4.801 -9.424 1.00 54.14 C ATOM 111 NE2 HIS A 7 -14.872 4.312 -9.688 1.00 55.45 N ATOM 0 H HIS A 7 -11.453 2.016 -8.329 1.00 41.25 H new ATOM 0 HA HIS A 7 -12.865 -0.003 -6.870 1.00 71.21 H new ATOM 0 HB2 HIS A 7 -14.550 1.697 -6.608 1.00 4.24 H new ATOM 0 HB3 HIS A 7 -12.974 2.429 -6.381 1.00 4.24 H new ATOM 0 HD2 HIS A 7 -15.964 2.578 -8.907 1.00 64.14 H new ATOM 0 HE1 HIS A 7 -13.234 5.676 -9.880 1.00 54.14 H new ATOM 0 HE2 HIS A 7 -15.536 4.700 -10.359 1.00 55.45 H new ATOM 120 N HIS A 8 -15.006 -0.397 -8.382 1.00 21.43 N ATOM 121 CA HIS A 8 -15.923 -1.040 -9.317 1.00 5.40 C ATOM 122 C HIS A 8 -16.410 -0.058 -10.382 1.00 12.40 C ATOM 123 O HIS A 8 -17.351 0.707 -10.157 1.00 22.00 O ATOM 124 CB HIS A 8 -17.120 -1.646 -8.571 1.00 32.05 C ATOM 125 CG HIS A 8 -18.187 -2.181 -9.483 1.00 21.35 C ATOM 126 ND1 HIS A 8 -17.982 -3.233 -10.350 1.00 12.31 N ATOM 127 CD2 HIS A 8 -19.467 -1.784 -9.680 1.00 33.13 C ATOM 128 CE1 HIS A 8 -19.084 -3.454 -11.040 1.00 71.32 C ATOM 129 NE2 HIS A 8 -19.998 -2.590 -10.652 1.00 14.55 N ATOM 0 H HIS A 8 -15.346 -0.356 -7.421 1.00 21.43 H new ATOM 0 HA HIS A 8 -15.377 -1.840 -9.817 1.00 5.40 H new ATOM 0 HB2 HIS A 8 -16.767 -2.451 -7.927 1.00 32.05 H new ATOM 0 HB3 HIS A 8 -17.556 -0.886 -7.922 1.00 32.05 H new ATOM 0 HD2 HIS A 8 -19.975 -0.981 -9.166 1.00 33.13 H new ATOM 0 HE1 HIS A 8 -19.214 -4.215 -11.795 1.00 71.32 H new ATOM 0 HE2 HIS A 8 -20.949 -2.530 -11.016 1.00 14.55 H new ATOM 138 N MET A 9 -15.736 -0.062 -11.525 1.00 14.33 N ATOM 139 CA MET A 9 -16.171 0.699 -12.692 1.00 10.20 C ATOM 140 C MET A 9 -16.321 -0.247 -13.878 1.00 4.43 C ATOM 141 O MET A 9 -15.360 -0.516 -14.602 1.00 62.05 O ATOM 142 CB MET A 9 -15.181 1.826 -13.022 1.00 34.12 C ATOM 143 CG MET A 9 -15.592 2.673 -14.225 1.00 74.25 C ATOM 144 SD MET A 9 -14.401 3.972 -14.616 1.00 10.14 S ATOM 145 CE MET A 9 -14.430 4.942 -13.111 1.00 71.55 C ATOM 0 H MET A 9 -14.876 -0.590 -11.670 1.00 14.33 H new ATOM 0 HA MET A 9 -17.132 1.164 -12.472 1.00 10.20 H new ATOM 0 HB2 MET A 9 -15.078 2.474 -12.151 1.00 34.12 H new ATOM 0 HB3 MET A 9 -14.200 1.391 -13.213 1.00 34.12 H new ATOM 0 HG2 MET A 9 -15.713 2.026 -15.094 1.00 74.25 H new ATOM 0 HG3 MET A 9 -16.563 3.126 -14.028 1.00 74.25 H new ATOM 0 HE1 MET A 9 -13.993 5.922 -13.301 1.00 71.55 H new ATOM 0 HE2 MET A 9 -15.460 5.063 -12.776 1.00 71.55 H new ATOM 0 HE3 MET A 9 -13.855 4.432 -12.338 1.00 71.55 H new ATOM 155 N GLY A 10 -17.526 -0.778 -14.045 1.00 32.43 N ATOM 156 CA GLY A 10 -17.780 -1.741 -15.098 1.00 33.53 C ATOM 157 C GLY A 10 -19.231 -2.176 -15.131 1.00 23.23 C ATOM 158 O GLY A 10 -19.637 -3.065 -14.378 1.00 62.21 O ATOM 0 H GLY A 10 -18.336 -0.557 -13.466 1.00 32.43 H new ATOM 0 HA2 GLY A 10 -17.510 -1.306 -16.060 1.00 33.53 H new ATOM 0 HA3 GLY A 10 -17.143 -2.614 -14.953 1.00 33.53 H new ATOM 162 N THR A 11 -20.013 -1.537 -15.991 1.00 34.53 N ATOM 163 CA THR A 11 -21.428 -1.861 -16.157 1.00 13.23 C ATOM 164 C THR A 11 -21.643 -2.727 -17.401 1.00 32.22 C ATOM 165 O THR A 11 -22.777 -2.966 -17.823 1.00 32.32 O ATOM 166 CB THR A 11 -22.259 -0.564 -16.284 1.00 72.22 C ATOM 167 OG1 THR A 11 -21.705 0.260 -17.320 1.00 34.23 O ATOM 168 CG2 THR A 11 -22.277 0.217 -14.975 1.00 74.25 C ATOM 0 H THR A 11 -19.687 -0.781 -16.593 1.00 34.53 H new ATOM 0 HA THR A 11 -21.754 -2.418 -15.279 1.00 13.23 H new ATOM 0 HB THR A 11 -23.284 -0.842 -16.530 1.00 72.22 H new ATOM 0 HG1 THR A 11 -22.233 1.082 -17.402 1.00 34.23 H new ATOM 0 HG21 THR A 11 -22.870 1.123 -15.100 1.00 74.25 H new ATOM 0 HG22 THR A 11 -22.716 -0.399 -14.190 1.00 74.25 H new ATOM 0 HG23 THR A 11 -21.258 0.486 -14.698 1.00 74.25 H new ATOM 176 N LEU A 12 -20.544 -3.206 -17.973 1.00 71.50 N ATOM 177 CA LEU A 12 -20.581 -3.943 -19.231 1.00 51.12 C ATOM 178 C LEU A 12 -20.813 -5.432 -18.979 1.00 2.41 C ATOM 179 O LEU A 12 -19.861 -6.218 -18.917 1.00 51.53 O ATOM 180 CB LEU A 12 -19.276 -3.740 -20.031 1.00 41.54 C ATOM 181 CG LEU A 12 -18.971 -2.295 -20.489 1.00 1.12 C ATOM 182 CD1 LEU A 12 -18.635 -1.385 -19.304 1.00 2.03 C ATOM 183 CD2 LEU A 12 -17.836 -2.284 -21.513 1.00 4.44 C ATOM 0 H LEU A 12 -19.609 -3.096 -17.581 1.00 71.50 H new ATOM 0 HA LEU A 12 -21.411 -3.553 -19.820 1.00 51.12 H new ATOM 0 HB2 LEU A 12 -18.443 -4.088 -19.421 1.00 41.54 H new ATOM 0 HB3 LEU A 12 -19.313 -4.378 -20.914 1.00 41.54 H new ATOM 0 HG LEU A 12 -19.872 -1.902 -20.961 1.00 1.12 H new ATOM 0 HD11 LEU A 12 -18.427 -0.378 -19.666 1.00 2.03 H new ATOM 0 HD12 LEU A 12 -19.480 -1.356 -18.617 1.00 2.03 H new ATOM 0 HD13 LEU A 12 -17.758 -1.772 -18.785 1.00 2.03 H new ATOM 0 HD21 LEU A 12 -17.636 -1.258 -21.823 1.00 4.44 H new ATOM 0 HD22 LEU A 12 -16.938 -2.709 -21.065 1.00 4.44 H new ATOM 0 HD23 LEU A 12 -18.124 -2.876 -22.382 1.00 4.44 H new ATOM 195 N GLU A 13 -22.074 -5.809 -18.802 1.00 71.43 N ATOM 196 CA GLU A 13 -22.438 -7.213 -18.646 1.00 21.04 C ATOM 197 C GLU A 13 -22.304 -7.927 -19.989 1.00 44.32 C ATOM 198 O GLU A 13 -23.158 -7.779 -20.867 1.00 71.34 O ATOM 199 CB GLU A 13 -23.868 -7.346 -18.102 1.00 3.43 C ATOM 200 CG GLU A 13 -24.035 -6.819 -16.682 1.00 72.42 C ATOM 201 CD GLU A 13 -23.135 -7.535 -15.687 1.00 50.02 C ATOM 202 OE1 GLU A 13 -23.411 -8.711 -15.368 1.00 62.43 O ATOM 203 OE2 GLU A 13 -22.148 -6.929 -15.219 1.00 21.45 O ATOM 0 H GLU A 13 -22.862 -5.162 -18.763 1.00 71.43 H new ATOM 0 HA GLU A 13 -21.763 -7.677 -17.927 1.00 21.04 H new ATOM 0 HB2 GLU A 13 -24.550 -6.809 -18.762 1.00 3.43 H new ATOM 0 HB3 GLU A 13 -24.161 -8.396 -18.127 1.00 3.43 H new ATOM 0 HG2 GLU A 13 -23.813 -5.752 -16.665 1.00 72.42 H new ATOM 0 HG3 GLU A 13 -25.075 -6.934 -16.375 1.00 72.42 H new ATOM 210 N ALA A 14 -21.218 -8.679 -20.146 1.00 72.45 N ATOM 211 CA ALA A 14 -20.905 -9.338 -21.411 1.00 22.35 C ATOM 212 C ALA A 14 -21.864 -10.491 -21.697 1.00 63.12 C ATOM 213 O ALA A 14 -22.378 -11.137 -20.777 1.00 72.22 O ATOM 214 CB ALA A 14 -19.463 -9.835 -21.408 1.00 2.03 C ATOM 0 H ALA A 14 -20.535 -8.848 -19.407 1.00 72.45 H new ATOM 0 HA ALA A 14 -21.025 -8.602 -22.206 1.00 22.35 H new ATOM 0 HB1 ALA A 14 -19.245 -10.324 -22.357 1.00 2.03 H new ATOM 0 HB2 ALA A 14 -18.787 -8.991 -21.271 1.00 2.03 H new ATOM 0 HB3 ALA A 14 -19.325 -10.546 -20.594 1.00 2.03 H new ATOM 220 N GLN A 15 -22.089 -10.743 -22.981 1.00 2.04 N ATOM 221 CA GLN A 15 -22.977 -11.813 -23.427 1.00 24.44 C ATOM 222 C GLN A 15 -22.164 -13.071 -23.735 1.00 22.42 C ATOM 223 O GLN A 15 -20.935 -13.061 -23.640 1.00 65.33 O ATOM 224 CB GLN A 15 -23.776 -11.376 -24.673 1.00 35.54 C ATOM 225 CG GLN A 15 -22.950 -11.253 -25.957 1.00 1.34 C ATOM 226 CD GLN A 15 -21.881 -10.170 -25.895 1.00 30.44 C ATOM 227 OE1 GLN A 15 -20.744 -10.424 -25.494 1.00 73.05 O ATOM 228 NE2 GLN A 15 -22.238 -8.956 -26.276 1.00 13.14 N ATOM 0 H GLN A 15 -21.663 -10.214 -23.742 1.00 2.04 H new ATOM 0 HA GLN A 15 -23.684 -12.033 -22.627 1.00 24.44 H new ATOM 0 HB2 GLN A 15 -24.579 -12.093 -24.842 1.00 35.54 H new ATOM 0 HB3 GLN A 15 -24.246 -10.414 -24.467 1.00 35.54 H new ATOM 0 HG2 GLN A 15 -22.473 -12.211 -26.165 1.00 1.34 H new ATOM 0 HG3 GLN A 15 -23.620 -11.043 -26.791 1.00 1.34 H new ATOM 0 HE21 GLN A 15 -23.189 -8.783 -26.602 1.00 13.14 H new ATOM 0 HE22 GLN A 15 -21.563 -8.192 -26.244 1.00 13.14 H new ATOM 237 N THR A 16 -22.852 -14.146 -24.106 1.00 51.14 N ATOM 238 CA THR A 16 -22.198 -15.400 -24.464 1.00 52.51 C ATOM 239 C THR A 16 -22.814 -15.967 -25.741 1.00 40.13 C ATOM 240 O THR A 16 -23.833 -15.461 -26.220 1.00 51.13 O ATOM 241 CB THR A 16 -22.304 -16.440 -23.322 1.00 11.31 C ATOM 242 OG1 THR A 16 -21.580 -17.630 -23.671 1.00 65.40 O ATOM 243 CG2 THR A 16 -23.761 -16.791 -23.024 1.00 41.52 C ATOM 0 H THR A 16 -23.870 -14.173 -24.167 1.00 51.14 H new ATOM 0 HA THR A 16 -21.142 -15.189 -24.632 1.00 52.51 H new ATOM 0 HB THR A 16 -21.869 -15.999 -22.425 1.00 11.31 H new ATOM 0 HG1 THR A 16 -22.078 -18.417 -23.367 1.00 65.40 H new ATOM 0 HG21 THR A 16 -23.801 -17.523 -22.218 1.00 41.52 H new ATOM 0 HG22 THR A 16 -24.298 -15.891 -22.724 1.00 41.52 H new ATOM 0 HG23 THR A 16 -24.225 -17.209 -23.917 1.00 41.52 H new ATOM 251 N GLN A 17 -22.196 -17.015 -26.283 1.00 32.42 N ATOM 252 CA GLN A 17 -22.652 -17.616 -27.532 1.00 51.23 C ATOM 253 C GLN A 17 -21.952 -18.956 -27.765 1.00 30.41 C ATOM 254 O GLN A 17 -22.597 -20.004 -27.830 1.00 31.24 O ATOM 255 CB GLN A 17 -22.378 -16.669 -28.716 1.00 54.23 C ATOM 256 CG GLN A 17 -23.042 -17.095 -30.024 1.00 74.01 C ATOM 257 CD GLN A 17 -24.559 -16.987 -29.981 1.00 13.51 C ATOM 258 OE1 GLN A 17 -25.118 -16.131 -29.290 1.00 30.33 O ATOM 259 NE2 GLN A 17 -25.236 -17.848 -30.723 1.00 74.31 N ATOM 0 H GLN A 17 -21.377 -17.465 -25.875 1.00 32.42 H new ATOM 0 HA GLN A 17 -23.726 -17.787 -27.459 1.00 51.23 H new ATOM 0 HB2 GLN A 17 -22.724 -15.669 -28.455 1.00 54.23 H new ATOM 0 HB3 GLN A 17 -21.301 -16.603 -28.873 1.00 54.23 H new ATOM 0 HG2 GLN A 17 -22.662 -16.476 -30.837 1.00 74.01 H new ATOM 0 HG3 GLN A 17 -22.762 -18.124 -30.249 1.00 74.01 H new ATOM 0 HE21 GLN A 17 -24.738 -18.542 -31.281 1.00 74.31 H new ATOM 0 HE22 GLN A 17 -26.255 -17.818 -30.737 1.00 74.31 H new ATOM 268 N GLY A 18 -20.626 -18.913 -27.874 1.00 45.01 N ATOM 269 CA GLY A 18 -19.863 -20.111 -28.180 1.00 32.05 C ATOM 270 C GLY A 18 -20.166 -20.612 -29.581 1.00 22.41 C ATOM 271 O GLY A 18 -20.396 -19.802 -30.482 1.00 30.02 O ATOM 0 H GLY A 18 -20.066 -18.069 -27.756 1.00 45.01 H new ATOM 0 HA2 GLY A 18 -18.798 -19.900 -28.089 1.00 32.05 H new ATOM 0 HA3 GLY A 18 -20.097 -20.890 -27.454 1.00 32.05 H new ATOM 275 N PRO A 19 -20.184 -21.939 -29.806 1.00 55.32 N ATOM 276 CA PRO A 19 -20.547 -22.512 -31.112 1.00 11.14 C ATOM 277 C PRO A 19 -22.013 -22.235 -31.466 1.00 0.34 C ATOM 278 O PRO A 19 -22.419 -22.353 -32.626 1.00 64.54 O ATOM 279 CB PRO A 19 -20.306 -24.019 -30.923 1.00 61.35 C ATOM 280 CG PRO A 19 -20.404 -24.231 -29.448 1.00 20.44 C ATOM 281 CD PRO A 19 -19.840 -22.984 -28.823 1.00 71.31 C ATOM 0 HA PRO A 19 -19.968 -22.082 -31.929 1.00 11.14 H new ATOM 0 HB2 PRO A 19 -21.048 -24.610 -31.459 1.00 61.35 H new ATOM 0 HB3 PRO A 19 -19.328 -24.315 -31.303 1.00 61.35 H new ATOM 0 HG2 PRO A 19 -21.438 -24.390 -29.142 1.00 20.44 H new ATOM 0 HG3 PRO A 19 -19.842 -25.113 -29.140 1.00 20.44 H new ATOM 0 HD2 PRO A 19 -20.285 -22.784 -27.848 1.00 71.31 H new ATOM 0 HD3 PRO A 19 -18.763 -23.059 -28.673 1.00 71.31 H new ATOM 289 N GLY A 20 -22.794 -21.858 -30.454 1.00 10.05 N ATOM 290 CA GLY A 20 -24.210 -21.592 -30.638 1.00 74.10 C ATOM 291 C GLY A 20 -24.966 -21.690 -29.331 1.00 65.13 C ATOM 292 O GLY A 20 -25.303 -20.675 -28.718 1.00 74.44 O ATOM 0 H GLY A 20 -22.463 -21.731 -29.497 1.00 10.05 H new ATOM 0 HA2 GLY A 20 -24.342 -20.597 -31.063 1.00 74.10 H new ATOM 0 HA3 GLY A 20 -24.625 -22.302 -31.354 1.00 74.10 H new ATOM 296 N SER A 21 -25.228 -22.917 -28.903 1.00 30.53 N ATOM 297 CA SER A 21 -25.854 -23.182 -27.615 1.00 4.43 C ATOM 298 C SER A 21 -25.092 -24.309 -26.906 1.00 25.13 C ATOM 299 O SER A 21 -25.437 -25.484 -27.040 1.00 5.22 O ATOM 300 CB SER A 21 -27.329 -23.557 -27.813 1.00 44.22 C ATOM 301 OG SER A 21 -27.998 -22.594 -28.619 1.00 33.34 O ATOM 0 H SER A 21 -25.012 -23.757 -29.439 1.00 30.53 H new ATOM 0 HA SER A 21 -25.815 -22.286 -26.995 1.00 4.43 H new ATOM 0 HB2 SER A 21 -27.398 -24.539 -28.281 1.00 44.22 H new ATOM 0 HB3 SER A 21 -27.822 -23.630 -26.844 1.00 44.22 H new ATOM 0 HG SER A 21 -28.936 -22.856 -28.732 1.00 33.34 H new ATOM 307 N PRO A 22 -24.018 -23.962 -26.172 1.00 74.53 N ATOM 308 CA PRO A 22 -23.133 -24.953 -25.548 1.00 53.05 C ATOM 309 C PRO A 22 -23.806 -25.733 -24.413 1.00 14.45 C ATOM 310 O PRO A 22 -23.938 -25.242 -23.287 1.00 2.32 O ATOM 311 CB PRO A 22 -21.957 -24.113 -25.026 1.00 32.50 C ATOM 312 CG PRO A 22 -22.513 -22.739 -24.849 1.00 73.23 C ATOM 313 CD PRO A 22 -23.585 -22.577 -25.895 1.00 50.00 C ATOM 0 HA PRO A 22 -22.834 -25.725 -26.257 1.00 53.05 H new ATOM 0 HB2 PRO A 22 -21.576 -24.509 -24.085 1.00 32.50 H new ATOM 0 HB3 PRO A 22 -21.126 -24.115 -25.732 1.00 32.50 H new ATOM 0 HG2 PRO A 22 -22.925 -22.613 -23.848 1.00 73.23 H new ATOM 0 HG3 PRO A 22 -21.734 -21.986 -24.971 1.00 73.23 H new ATOM 0 HD2 PRO A 22 -24.410 -21.965 -25.531 1.00 50.00 H new ATOM 0 HD3 PRO A 22 -23.199 -22.091 -26.791 1.00 50.00 H new ATOM 321 N GLU A 23 -24.263 -26.939 -24.736 1.00 31.13 N ATOM 322 CA GLU A 23 -24.812 -27.859 -23.748 1.00 2.43 C ATOM 323 C GLU A 23 -24.494 -29.300 -24.145 1.00 50.22 C ATOM 324 O GLU A 23 -24.252 -29.588 -25.320 1.00 63.33 O ATOM 325 CB GLU A 23 -26.328 -27.666 -23.591 1.00 32.34 C ATOM 326 CG GLU A 23 -26.947 -28.582 -22.539 1.00 31.05 C ATOM 327 CD GLU A 23 -28.433 -28.347 -22.336 1.00 11.01 C ATOM 328 OE1 GLU A 23 -29.209 -28.598 -23.281 1.00 31.24 O ATOM 329 OE2 GLU A 23 -28.829 -27.935 -21.224 1.00 72.13 O ATOM 0 H GLU A 23 -24.263 -27.305 -25.688 1.00 31.13 H new ATOM 0 HA GLU A 23 -24.349 -27.645 -22.785 1.00 2.43 H new ATOM 0 HB2 GLU A 23 -26.529 -26.629 -23.323 1.00 32.34 H new ATOM 0 HB3 GLU A 23 -26.812 -27.847 -24.551 1.00 32.34 H new ATOM 0 HG2 GLU A 23 -26.787 -29.620 -22.832 1.00 31.05 H new ATOM 0 HG3 GLU A 23 -26.430 -28.435 -21.591 1.00 31.05 H new ATOM 336 N GLY A 24 -24.471 -30.193 -23.158 1.00 33.14 N ATOM 337 CA GLY A 24 -24.212 -31.599 -23.419 1.00 73.02 C ATOM 338 C GLY A 24 -22.763 -31.857 -23.774 1.00 74.44 C ATOM 339 O GLY A 24 -22.430 -32.890 -24.357 1.00 72.20 O ATOM 0 H GLY A 24 -24.628 -29.965 -22.176 1.00 33.14 H new ATOM 0 HA2 GLY A 24 -24.479 -32.185 -22.540 1.00 73.02 H new ATOM 0 HA3 GLY A 24 -24.850 -31.939 -24.235 1.00 73.02 H new ATOM 343 N VAL A 25 -21.901 -30.910 -23.422 1.00 72.40 N ATOM 344 CA VAL A 25 -20.474 -31.023 -23.694 1.00 22.33 C ATOM 345 C VAL A 25 -19.814 -31.967 -22.687 1.00 61.30 C ATOM 346 O VAL A 25 -20.149 -31.948 -21.500 1.00 30.12 O ATOM 347 CB VAL A 25 -19.774 -29.638 -23.647 1.00 54.23 C ATOM 348 CG1 VAL A 25 -20.336 -28.713 -24.726 1.00 44.42 C ATOM 349 CG2 VAL A 25 -19.907 -29.005 -22.262 1.00 24.31 C ATOM 0 H VAL A 25 -22.169 -30.050 -22.944 1.00 72.40 H new ATOM 0 HA VAL A 25 -20.362 -31.428 -24.700 1.00 22.33 H new ATOM 0 HB VAL A 25 -18.713 -29.787 -23.846 1.00 54.23 H new ATOM 0 HG11 VAL A 25 -19.832 -27.748 -24.676 1.00 44.42 H new ATOM 0 HG12 VAL A 25 -20.172 -29.157 -25.708 1.00 44.42 H new ATOM 0 HG13 VAL A 25 -21.405 -28.573 -24.565 1.00 44.42 H new ATOM 0 HG21 VAL A 25 -19.408 -28.036 -22.256 1.00 24.31 H new ATOM 0 HG22 VAL A 25 -20.962 -28.872 -22.023 1.00 24.31 H new ATOM 0 HG23 VAL A 25 -19.446 -29.655 -21.519 1.00 24.31 H new ATOM 359 N PRO A 26 -18.901 -32.836 -23.147 1.00 53.20 N ATOM 360 CA PRO A 26 -18.127 -33.707 -22.264 1.00 53.23 C ATOM 361 C PRO A 26 -16.987 -32.932 -21.600 1.00 63.22 C ATOM 362 O PRO A 26 -16.468 -31.985 -22.192 1.00 4.41 O ATOM 363 CB PRO A 26 -17.568 -34.792 -23.212 1.00 71.45 C ATOM 364 CG PRO A 26 -18.154 -34.504 -24.563 1.00 61.30 C ATOM 365 CD PRO A 26 -18.545 -33.052 -24.554 1.00 20.30 C ATOM 0 HA PRO A 26 -18.725 -34.122 -21.452 1.00 53.23 H new ATOM 0 HB2 PRO A 26 -16.479 -34.758 -23.244 1.00 71.45 H new ATOM 0 HB3 PRO A 26 -17.846 -35.789 -22.871 1.00 71.45 H new ATOM 0 HG2 PRO A 26 -17.430 -34.706 -25.352 1.00 61.30 H new ATOM 0 HG3 PRO A 26 -19.019 -35.138 -24.754 1.00 61.30 H new ATOM 0 HD2 PRO A 26 -17.725 -32.407 -24.870 1.00 20.30 H new ATOM 0 HD3 PRO A 26 -19.383 -32.852 -25.221 1.00 20.30 H new ATOM 373 N PRO A 27 -16.580 -33.315 -20.369 1.00 22.12 N ATOM 374 CA PRO A 27 -15.459 -32.667 -19.673 1.00 12.14 C ATOM 375 C PRO A 27 -14.141 -32.870 -20.427 1.00 32.44 C ATOM 376 O PRO A 27 -13.305 -33.696 -20.049 1.00 51.44 O ATOM 377 CB PRO A 27 -15.432 -33.356 -18.296 1.00 2.02 C ATOM 378 CG PRO A 27 -16.132 -34.656 -18.507 1.00 33.14 C ATOM 379 CD PRO A 27 -17.177 -34.395 -19.561 1.00 24.33 C ATOM 0 HA PRO A 27 -15.581 -31.587 -19.597 1.00 12.14 H new ATOM 0 HB2 PRO A 27 -14.410 -33.509 -17.950 1.00 2.02 H new ATOM 0 HB3 PRO A 27 -15.937 -32.753 -17.542 1.00 2.02 H new ATOM 0 HG2 PRO A 27 -15.434 -35.428 -18.832 1.00 33.14 H new ATOM 0 HG3 PRO A 27 -16.589 -35.008 -17.582 1.00 33.14 H new ATOM 0 HD2 PRO A 27 -17.375 -35.284 -20.160 1.00 24.33 H new ATOM 0 HD3 PRO A 27 -18.126 -34.090 -19.120 1.00 24.33 H new ATOM 387 N THR A 28 -13.986 -32.125 -21.515 1.00 45.53 N ATOM 388 CA THR A 28 -12.821 -32.224 -22.381 1.00 23.35 C ATOM 389 C THR A 28 -12.065 -30.897 -22.374 1.00 32.41 C ATOM 390 O THR A 28 -12.641 -29.850 -22.665 1.00 52.34 O ATOM 391 CB THR A 28 -13.249 -32.584 -23.825 1.00 42.45 C ATOM 392 OG1 THR A 28 -14.113 -33.732 -23.796 1.00 3.44 O ATOM 393 CG2 THR A 28 -12.038 -32.870 -24.711 1.00 14.13 C ATOM 0 H THR A 28 -14.669 -31.432 -21.821 1.00 45.53 H new ATOM 0 HA THR A 28 -12.169 -33.014 -22.008 1.00 23.35 H new ATOM 0 HB THR A 28 -13.779 -31.730 -24.247 1.00 42.45 H new ATOM 0 HG1 THR A 28 -14.386 -33.959 -24.709 1.00 3.44 H new ATOM 0 HG21 THR A 28 -12.374 -33.119 -25.717 1.00 14.13 H new ATOM 0 HG22 THR A 28 -11.399 -31.988 -24.750 1.00 14.13 H new ATOM 0 HG23 THR A 28 -11.475 -33.707 -24.299 1.00 14.13 H new ATOM 401 N ASP A 29 -10.782 -30.951 -22.036 1.00 43.22 N ATOM 402 CA ASP A 29 -9.969 -29.745 -21.856 1.00 33.15 C ATOM 403 C ASP A 29 -9.997 -28.844 -23.095 1.00 10.15 C ATOM 404 O ASP A 29 -10.013 -27.614 -22.984 1.00 40.43 O ATOM 405 CB ASP A 29 -8.521 -30.133 -21.528 1.00 41.45 C ATOM 406 CG ASP A 29 -7.658 -28.929 -21.177 1.00 41.33 C ATOM 407 OD1 ASP A 29 -7.713 -28.476 -20.013 1.00 53.41 O ATOM 408 OD2 ASP A 29 -6.922 -28.431 -22.057 1.00 72.33 O ATOM 0 H ASP A 29 -10.275 -31.822 -21.879 1.00 43.22 H new ATOM 0 HA ASP A 29 -10.397 -29.182 -21.027 1.00 33.15 H new ATOM 0 HB2 ASP A 29 -8.517 -30.834 -20.694 1.00 41.45 H new ATOM 0 HB3 ASP A 29 -8.085 -30.651 -22.382 1.00 41.45 H new ATOM 413 N ARG A 30 -10.013 -29.457 -24.275 1.00 41.34 N ATOM 414 CA ARG A 30 -9.936 -28.707 -25.527 1.00 50.12 C ATOM 415 C ARG A 30 -11.324 -28.379 -26.085 1.00 1.41 C ATOM 416 O ARG A 30 -11.848 -29.091 -26.946 1.00 73.43 O ATOM 417 CB ARG A 30 -9.109 -29.481 -26.563 1.00 54.12 C ATOM 418 CG ARG A 30 -7.671 -29.739 -26.121 1.00 21.54 C ATOM 419 CD ARG A 30 -6.895 -30.533 -27.162 1.00 40.24 C ATOM 420 NE ARG A 30 -7.515 -31.831 -27.440 1.00 70.52 N ATOM 421 CZ ARG A 30 -7.162 -32.625 -28.454 1.00 52.34 C ATOM 422 NH1 ARG A 30 -6.190 -32.258 -29.281 1.00 32.25 N ATOM 423 NH2 ARG A 30 -7.782 -33.785 -28.641 1.00 22.53 N ATOM 0 H ARG A 30 -10.078 -30.468 -24.392 1.00 41.34 H new ATOM 0 HA ARG A 30 -9.441 -27.760 -25.312 1.00 50.12 H new ATOM 0 HB2 ARG A 30 -9.596 -30.435 -26.766 1.00 54.12 H new ATOM 0 HB3 ARG A 30 -9.099 -28.923 -27.499 1.00 54.12 H new ATOM 0 HG2 ARG A 30 -7.170 -28.788 -25.941 1.00 21.54 H new ATOM 0 HG3 ARG A 30 -7.673 -30.282 -25.176 1.00 21.54 H new ATOM 0 HD2 ARG A 30 -6.833 -29.956 -28.085 1.00 40.24 H new ATOM 0 HD3 ARG A 30 -5.874 -30.687 -26.813 1.00 40.24 H new ATOM 0 HE ARG A 30 -8.262 -32.147 -26.821 1.00 70.52 H new ATOM 0 HH11 ARG A 30 -5.711 -31.368 -29.142 1.00 32.25 H new ATOM 0 HH12 ARG A 30 -5.922 -32.866 -30.055 1.00 32.25 H new ATOM 0 HH21 ARG A 30 -8.530 -34.071 -28.009 1.00 22.53 H new ATOM 0 HH22 ARG A 30 -7.510 -34.389 -29.416 1.00 22.53 H new ATOM 437 N PHE A 31 -11.922 -27.309 -25.567 1.00 5.02 N ATOM 438 CA PHE A 31 -13.150 -26.753 -26.135 1.00 30.21 C ATOM 439 C PHE A 31 -12.786 -25.681 -27.169 1.00 11.12 C ATOM 440 O PHE A 31 -11.682 -25.131 -27.129 1.00 60.42 O ATOM 441 CB PHE A 31 -14.042 -26.138 -25.041 1.00 54.15 C ATOM 442 CG PHE A 31 -14.562 -27.121 -24.020 1.00 41.22 C ATOM 443 CD1 PHE A 31 -15.422 -28.144 -24.395 1.00 24.24 C ATOM 444 CD2 PHE A 31 -14.209 -27.006 -22.680 1.00 64.33 C ATOM 445 CE1 PHE A 31 -15.917 -29.031 -23.458 1.00 62.10 C ATOM 446 CE2 PHE A 31 -14.701 -27.893 -21.740 1.00 34.10 C ATOM 447 CZ PHE A 31 -15.556 -28.906 -22.130 1.00 23.03 C ATOM 0 H PHE A 31 -11.575 -26.806 -24.750 1.00 5.02 H new ATOM 0 HA PHE A 31 -13.708 -27.559 -26.611 1.00 30.21 H new ATOM 0 HB2 PHE A 31 -13.476 -25.364 -24.523 1.00 54.15 H new ATOM 0 HB3 PHE A 31 -14.891 -25.648 -25.517 1.00 54.15 H new ATOM 0 HD1 PHE A 31 -15.708 -28.248 -25.431 1.00 24.24 H new ATOM 0 HD2 PHE A 31 -13.543 -26.215 -22.370 1.00 64.33 H new ATOM 0 HE1 PHE A 31 -16.586 -29.822 -23.764 1.00 62.10 H new ATOM 0 HE2 PHE A 31 -14.417 -27.794 -20.703 1.00 34.10 H new ATOM 0 HZ PHE A 31 -15.942 -29.600 -21.397 1.00 23.03 H new ATOM 457 N PRO A 32 -13.706 -25.354 -28.103 1.00 23.40 N ATOM 458 CA PRO A 32 -13.452 -24.339 -29.140 1.00 61.21 C ATOM 459 C PRO A 32 -13.091 -22.975 -28.543 1.00 12.12 C ATOM 460 O PRO A 32 -12.452 -22.146 -29.192 1.00 45.31 O ATOM 461 CB PRO A 32 -14.787 -24.246 -29.903 1.00 34.33 C ATOM 462 CG PRO A 32 -15.520 -25.508 -29.590 1.00 12.11 C ATOM 463 CD PRO A 32 -15.054 -25.949 -28.227 1.00 51.11 C ATOM 0 HA PRO A 32 -12.606 -24.614 -29.770 1.00 61.21 H new ATOM 0 HB2 PRO A 32 -15.358 -23.373 -29.588 1.00 34.33 H new ATOM 0 HB3 PRO A 32 -14.619 -24.147 -30.975 1.00 34.33 H new ATOM 0 HG2 PRO A 32 -16.597 -25.342 -29.596 1.00 12.11 H new ATOM 0 HG3 PRO A 32 -15.311 -26.273 -30.337 1.00 12.11 H new ATOM 0 HD2 PRO A 32 -15.722 -25.593 -27.442 1.00 51.11 H new ATOM 0 HD3 PRO A 32 -15.020 -27.036 -28.149 1.00 51.11 H new ATOM 471 N LEU A 33 -13.489 -22.768 -27.289 1.00 21.14 N ATOM 472 CA LEU A 33 -13.371 -21.466 -26.626 1.00 43.40 C ATOM 473 C LEU A 33 -12.012 -21.259 -25.997 1.00 31.24 C ATOM 474 O LEU A 33 -11.705 -20.213 -25.426 1.00 3.30 O ATOM 475 CB LEU A 33 -14.457 -21.345 -25.569 1.00 65.01 C ATOM 476 CG LEU A 33 -15.905 -21.413 -26.089 1.00 10.43 C ATOM 477 CD1 LEU A 33 -16.906 -21.377 -24.935 1.00 12.42 C ATOM 478 CD2 LEU A 33 -16.179 -20.278 -27.071 1.00 72.02 C ATOM 0 H LEU A 33 -13.901 -23.494 -26.704 1.00 21.14 H new ATOM 0 HA LEU A 33 -13.491 -20.693 -27.385 1.00 43.40 H new ATOM 0 HB2 LEU A 33 -14.316 -22.140 -24.837 1.00 65.01 H new ATOM 0 HB3 LEU A 33 -14.323 -20.400 -25.043 1.00 65.01 H new ATOM 0 HG LEU A 33 -16.028 -22.361 -26.613 1.00 10.43 H new ATOM 0 HD11 LEU A 33 -17.920 -21.426 -25.331 1.00 12.42 H new ATOM 0 HD12 LEU A 33 -16.732 -22.228 -24.276 1.00 12.42 H new ATOM 0 HD13 LEU A 33 -16.781 -20.451 -24.373 1.00 12.42 H new ATOM 0 HD21 LEU A 33 -17.207 -20.345 -27.426 1.00 72.02 H new ATOM 0 HD22 LEU A 33 -16.029 -19.321 -26.572 1.00 72.02 H new ATOM 0 HD23 LEU A 33 -15.497 -20.357 -27.918 1.00 72.02 H new ATOM 490 N LEU A 34 -11.220 -22.265 -26.141 1.00 14.54 N ATOM 491 CA LEU A 34 -9.855 -22.290 -25.608 1.00 1.15 C ATOM 492 C LEU A 34 -8.858 -21.740 -26.627 1.00 23.24 C ATOM 493 O LEU A 34 -7.656 -22.002 -26.547 1.00 75.43 O ATOM 494 CB LEU A 34 -9.470 -23.716 -25.174 1.00 54.33 C ATOM 495 CG LEU A 34 -10.012 -24.147 -23.796 1.00 63.34 C ATOM 496 CD1 LEU A 34 -9.413 -23.278 -22.693 1.00 52.15 C ATOM 497 CD2 LEU A 34 -11.539 -24.073 -23.758 1.00 55.35 C ATOM 0 H LEU A 34 -11.483 -23.117 -26.636 1.00 14.54 H new ATOM 0 HA LEU A 34 -9.821 -21.646 -24.730 1.00 1.15 H new ATOM 0 HB2 LEU A 34 -9.831 -24.418 -25.925 1.00 54.33 H new ATOM 0 HB3 LEU A 34 -8.383 -23.794 -25.161 1.00 54.33 H new ATOM 0 HG LEU A 34 -9.718 -25.183 -23.627 1.00 63.34 H new ATOM 0 HD11 LEU A 34 -9.805 -23.595 -21.727 1.00 52.15 H new ATOM 0 HD12 LEU A 34 -8.328 -23.383 -22.696 1.00 52.15 H new ATOM 0 HD13 LEU A 34 -9.677 -22.235 -22.868 1.00 52.15 H new ATOM 0 HD21 LEU A 34 -11.894 -24.382 -22.775 1.00 55.35 H new ATOM 0 HD22 LEU A 34 -11.859 -23.049 -23.954 1.00 55.35 H new ATOM 0 HD23 LEU A 34 -11.954 -24.734 -24.518 1.00 55.35 H new ATOM 509 N ALA A 35 -9.368 -20.962 -27.578 1.00 40.20 N ATOM 510 CA ALA A 35 -8.530 -20.283 -28.562 1.00 32.23 C ATOM 511 C ALA A 35 -8.225 -18.859 -28.105 1.00 54.11 C ATOM 512 O ALA A 35 -7.671 -18.055 -28.856 1.00 20.41 O ATOM 513 CB ALA A 35 -9.216 -20.277 -29.924 1.00 0.34 C ATOM 0 H ALA A 35 -10.367 -20.785 -27.688 1.00 40.20 H new ATOM 0 HA ALA A 35 -7.587 -20.823 -28.654 1.00 32.23 H new ATOM 0 HB1 ALA A 35 -8.581 -19.768 -30.649 1.00 0.34 H new ATOM 0 HB2 ALA A 35 -9.388 -21.303 -30.249 1.00 0.34 H new ATOM 0 HB3 ALA A 35 -10.170 -19.756 -29.848 1.00 0.34 H new ATOM 519 N LEU A 36 -8.602 -18.558 -26.862 1.00 11.44 N ATOM 520 CA LEU A 36 -8.408 -17.231 -26.280 1.00 70.21 C ATOM 521 C LEU A 36 -7.496 -17.316 -25.057 1.00 54.41 C ATOM 522 O LEU A 36 -7.859 -17.923 -24.048 1.00 32.22 O ATOM 523 CB LEU A 36 -9.753 -16.598 -25.868 1.00 21.24 C ATOM 524 CG LEU A 36 -10.756 -16.320 -27.005 1.00 12.54 C ATOM 525 CD1 LEU A 36 -11.395 -17.611 -27.521 1.00 32.02 C ATOM 526 CD2 LEU A 36 -11.831 -15.340 -26.540 1.00 4.31 C ATOM 0 H LEU A 36 -9.049 -19.225 -26.233 1.00 11.44 H new ATOM 0 HA LEU A 36 -7.945 -16.603 -27.041 1.00 70.21 H new ATOM 0 HB2 LEU A 36 -10.232 -17.256 -25.143 1.00 21.24 H new ATOM 0 HB3 LEU A 36 -9.546 -15.658 -25.357 1.00 21.24 H new ATOM 0 HG LEU A 36 -10.204 -15.872 -27.831 1.00 12.54 H new ATOM 0 HD11 LEU A 36 -12.096 -17.375 -28.322 1.00 32.02 H new ATOM 0 HD12 LEU A 36 -10.619 -18.274 -27.902 1.00 32.02 H new ATOM 0 HD13 LEU A 36 -11.926 -18.105 -26.707 1.00 32.02 H new ATOM 0 HD21 LEU A 36 -12.531 -15.154 -27.355 1.00 4.31 H new ATOM 0 HD22 LEU A 36 -12.367 -15.764 -25.691 1.00 4.31 H new ATOM 0 HD23 LEU A 36 -11.364 -14.401 -26.242 1.00 4.31 H new ATOM 538 N LEU A 37 -6.314 -16.714 -25.152 1.00 13.52 N ATOM 539 CA LEU A 37 -5.367 -16.668 -24.037 1.00 21.25 C ATOM 540 C LEU A 37 -5.054 -15.214 -23.696 1.00 14.11 C ATOM 541 O LEU A 37 -4.318 -14.547 -24.425 1.00 53.31 O ATOM 542 CB LEU A 37 -4.065 -17.424 -24.375 1.00 71.04 C ATOM 543 CG LEU A 37 -4.209 -18.940 -24.627 1.00 45.01 C ATOM 544 CD1 LEU A 37 -4.799 -19.226 -26.007 1.00 73.25 C ATOM 545 CD2 LEU A 37 -2.864 -19.645 -24.460 1.00 10.31 C ATOM 0 H LEU A 37 -5.985 -16.247 -25.997 1.00 13.52 H new ATOM 0 HA LEU A 37 -5.823 -17.158 -23.177 1.00 21.25 H new ATOM 0 HB2 LEU A 37 -3.624 -16.969 -25.262 1.00 71.04 H new ATOM 0 HB3 LEU A 37 -3.360 -17.277 -23.557 1.00 71.04 H new ATOM 0 HG LEU A 37 -4.902 -19.333 -23.883 1.00 45.01 H new ATOM 0 HD11 LEU A 37 -4.886 -20.303 -26.149 1.00 73.25 H new ATOM 0 HD12 LEU A 37 -5.786 -18.769 -26.083 1.00 73.25 H new ATOM 0 HD13 LEU A 37 -4.147 -18.810 -26.775 1.00 73.25 H new ATOM 0 HD21 LEU A 37 -2.988 -20.713 -24.642 1.00 10.31 H new ATOM 0 HD22 LEU A 37 -2.148 -19.236 -25.173 1.00 10.31 H new ATOM 0 HD23 LEU A 37 -2.495 -19.490 -23.446 1.00 10.31 H new ATOM 557 N ARG A 38 -5.625 -14.723 -22.596 1.00 2.14 N ATOM 558 CA ARG A 38 -5.492 -13.315 -22.207 1.00 45.54 C ATOM 559 C ARG A 38 -5.322 -13.188 -20.696 1.00 2.05 C ATOM 560 O ARG A 38 -5.565 -14.144 -19.961 1.00 21.04 O ATOM 561 CB ARG A 38 -6.727 -12.510 -22.655 1.00 41.41 C ATOM 562 CG ARG A 38 -6.903 -12.419 -24.168 1.00 14.00 C ATOM 563 CD ARG A 38 -5.708 -11.745 -24.833 1.00 71.31 C ATOM 564 NE ARG A 38 -5.858 -11.674 -26.288 1.00 2.14 N ATOM 565 CZ ARG A 38 -4.859 -11.429 -27.134 1.00 52.02 C ATOM 566 NH1 ARG A 38 -3.621 -11.256 -26.677 1.00 34.34 N ATOM 567 NH2 ARG A 38 -5.096 -11.360 -28.437 1.00 41.24 N ATOM 0 H ARG A 38 -6.188 -15.281 -21.954 1.00 2.14 H new ATOM 0 HA ARG A 38 -4.606 -12.913 -22.700 1.00 45.54 H new ATOM 0 HB2 ARG A 38 -7.619 -12.965 -22.224 1.00 41.41 H new ATOM 0 HB3 ARG A 38 -6.656 -11.501 -22.248 1.00 41.41 H new ATOM 0 HG2 ARG A 38 -7.033 -13.420 -24.580 1.00 14.00 H new ATOM 0 HG3 ARG A 38 -7.810 -11.860 -24.396 1.00 14.00 H new ATOM 0 HD2 ARG A 38 -5.589 -10.739 -24.431 1.00 71.31 H new ATOM 0 HD3 ARG A 38 -4.799 -12.295 -24.589 1.00 71.31 H new ATOM 0 HE ARG A 38 -6.788 -11.822 -26.679 1.00 2.14 H new ATOM 0 HH11 ARG A 38 -3.435 -11.311 -25.676 1.00 34.34 H new ATOM 0 HH12 ARG A 38 -2.859 -11.069 -27.328 1.00 34.34 H new ATOM 0 HH21 ARG A 38 -6.043 -11.495 -28.791 1.00 41.24 H new ATOM 0 HH22 ARG A 38 -4.331 -11.172 -29.085 1.00 41.24 H new ATOM 581 N ARG A 39 -4.918 -12.000 -20.242 1.00 13.43 N ATOM 582 CA ARG A 39 -4.741 -11.733 -18.816 1.00 31.22 C ATOM 583 C ARG A 39 -6.072 -11.822 -18.082 1.00 12.54 C ATOM 584 O ARG A 39 -6.167 -12.408 -17.006 1.00 64.51 O ATOM 585 CB ARG A 39 -4.131 -10.339 -18.588 1.00 71.22 C ATOM 586 CG ARG A 39 -4.185 -9.882 -17.128 1.00 25.23 C ATOM 587 CD ARG A 39 -3.690 -8.452 -16.947 1.00 12.21 C ATOM 588 NE ARG A 39 -3.927 -7.955 -15.585 1.00 64.14 N ATOM 589 CZ ARG A 39 -3.408 -6.825 -15.094 1.00 40.21 C ATOM 590 NH1 ARG A 39 -2.586 -6.090 -15.831 1.00 72.51 N ATOM 591 NH2 ARG A 39 -3.702 -6.427 -13.862 1.00 72.23 N ATOM 0 H ARG A 39 -4.707 -11.205 -20.845 1.00 13.43 H new ATOM 0 HA ARG A 39 -4.060 -12.489 -18.423 1.00 31.22 H new ATOM 0 HB2 ARG A 39 -3.093 -10.346 -18.920 1.00 71.22 H new ATOM 0 HB3 ARG A 39 -4.659 -9.614 -19.207 1.00 71.22 H new ATOM 0 HG2 ARG A 39 -5.210 -9.957 -16.764 1.00 25.23 H new ATOM 0 HG3 ARG A 39 -3.580 -10.553 -16.518 1.00 25.23 H new ATOM 0 HD2 ARG A 39 -2.624 -8.407 -17.169 1.00 12.21 H new ATOM 0 HD3 ARG A 39 -4.192 -7.801 -17.663 1.00 12.21 H new ATOM 0 HE ARG A 39 -4.527 -8.509 -14.974 1.00 64.14 H new ATOM 0 HH11 ARG A 39 -2.347 -6.386 -16.777 1.00 72.51 H new ATOM 0 HH12 ARG A 39 -2.193 -5.229 -15.451 1.00 72.51 H new ATOM 0 HH21 ARG A 39 -4.329 -6.985 -13.282 1.00 72.23 H new ATOM 0 HH22 ARG A 39 -3.301 -5.563 -13.496 1.00 72.23 H new ATOM 605 N THR A 40 -7.095 -11.228 -18.669 1.00 21.32 N ATOM 606 CA THR A 40 -8.396 -11.145 -18.023 1.00 31.44 C ATOM 607 C THR A 40 -9.171 -12.443 -18.199 1.00 32.23 C ATOM 608 O THR A 40 -9.680 -12.737 -19.283 1.00 70.14 O ATOM 609 CB THR A 40 -9.223 -9.957 -18.551 1.00 25.32 C ATOM 610 OG1 THR A 40 -9.226 -9.950 -19.987 1.00 2.42 O ATOM 611 CG2 THR A 40 -8.674 -8.629 -18.033 1.00 5.33 C ATOM 0 H THR A 40 -7.052 -10.795 -19.592 1.00 21.32 H new ATOM 0 HA THR A 40 -8.217 -10.981 -16.960 1.00 31.44 H new ATOM 0 HB THR A 40 -10.244 -10.075 -18.188 1.00 25.32 H new ATOM 0 HG1 THR A 40 -9.484 -10.836 -20.318 1.00 2.42 H new ATOM 0 HG21 THR A 40 -9.278 -7.809 -18.422 1.00 5.33 H new ATOM 0 HG22 THR A 40 -8.710 -8.621 -16.944 1.00 5.33 H new ATOM 0 HG23 THR A 40 -7.642 -8.508 -18.363 1.00 5.33 H new ATOM 619 N LEU A 41 -9.255 -13.206 -17.120 1.00 51.33 N ATOM 620 CA LEU A 41 -9.878 -14.523 -17.140 1.00 34.14 C ATOM 621 C LEU A 41 -11.385 -14.425 -17.347 1.00 43.22 C ATOM 622 O LEU A 41 -12.143 -14.139 -16.416 1.00 22.33 O ATOM 623 CB LEU A 41 -9.558 -15.305 -15.852 1.00 61.14 C ATOM 624 CG LEU A 41 -8.284 -16.172 -15.903 1.00 40.42 C ATOM 625 CD1 LEU A 41 -7.061 -15.337 -16.272 1.00 4.32 C ATOM 626 CD2 LEU A 41 -8.070 -16.888 -14.571 1.00 50.44 C ATOM 0 H LEU A 41 -8.894 -12.931 -16.206 1.00 51.33 H new ATOM 0 HA LEU A 41 -9.459 -15.068 -17.986 1.00 34.14 H new ATOM 0 HB2 LEU A 41 -9.461 -14.595 -15.031 1.00 61.14 H new ATOM 0 HB3 LEU A 41 -10.406 -15.949 -15.618 1.00 61.14 H new ATOM 0 HG LEU A 41 -8.419 -16.923 -16.681 1.00 40.42 H new ATOM 0 HD11 LEU A 41 -6.179 -15.976 -16.300 1.00 4.32 H new ATOM 0 HD12 LEU A 41 -7.212 -14.884 -17.252 1.00 4.32 H new ATOM 0 HD13 LEU A 41 -6.918 -14.553 -15.528 1.00 4.32 H new ATOM 0 HD21 LEU A 41 -7.166 -17.495 -14.625 1.00 50.44 H new ATOM 0 HD22 LEU A 41 -7.965 -16.151 -13.775 1.00 50.44 H new ATOM 0 HD23 LEU A 41 -8.926 -17.529 -14.361 1.00 50.44 H new ATOM 638 N THR A 42 -11.802 -14.637 -18.585 1.00 31.45 N ATOM 639 CA THR A 42 -13.213 -14.773 -18.907 1.00 23.21 C ATOM 640 C THR A 42 -13.674 -16.171 -18.495 1.00 63.23 C ATOM 641 O THR A 42 -12.850 -16.976 -18.044 1.00 44.05 O ATOM 642 CB THR A 42 -13.465 -14.538 -20.414 1.00 20.41 C ATOM 643 OG1 THR A 42 -14.868 -14.638 -20.709 1.00 73.40 O ATOM 644 CG2 THR A 42 -12.680 -15.535 -21.261 1.00 34.51 C ATOM 0 H THR A 42 -11.178 -14.719 -19.388 1.00 31.45 H new ATOM 0 HA THR A 42 -13.783 -14.020 -18.362 1.00 23.21 H new ATOM 0 HB THR A 42 -13.122 -13.533 -20.660 1.00 20.41 H new ATOM 0 HG1 THR A 42 -15.062 -15.525 -21.079 1.00 73.40 H new ATOM 0 HG21 THR A 42 -12.875 -15.348 -22.317 1.00 34.51 H new ATOM 0 HG22 THR A 42 -11.614 -15.421 -21.063 1.00 34.51 H new ATOM 0 HG23 THR A 42 -12.989 -16.549 -21.009 1.00 34.51 H new ATOM 652 N GLU A 43 -14.963 -16.475 -18.662 1.00 15.15 N ATOM 653 CA GLU A 43 -15.506 -17.749 -18.186 1.00 71.31 C ATOM 654 C GLU A 43 -14.657 -18.911 -18.681 1.00 12.12 C ATOM 655 O GLU A 43 -14.191 -19.721 -17.890 1.00 32.21 O ATOM 656 CB GLU A 43 -16.950 -17.962 -18.661 1.00 43.41 C ATOM 657 CG GLU A 43 -17.926 -16.872 -18.249 1.00 4.44 C ATOM 658 CD GLU A 43 -17.922 -16.583 -16.755 1.00 44.01 C ATOM 659 OE1 GLU A 43 -17.100 -15.760 -16.300 1.00 43.34 O ATOM 660 OE2 GLU A 43 -18.757 -17.167 -16.033 1.00 20.13 O ATOM 0 H GLU A 43 -15.643 -15.865 -19.117 1.00 15.15 H new ATOM 0 HA GLU A 43 -15.492 -17.712 -17.097 1.00 71.31 H new ATOM 0 HB2 GLU A 43 -16.952 -18.039 -19.748 1.00 43.41 H new ATOM 0 HB3 GLU A 43 -17.308 -18.916 -18.273 1.00 43.41 H new ATOM 0 HG2 GLU A 43 -17.684 -15.956 -18.788 1.00 4.44 H new ATOM 0 HG3 GLU A 43 -18.932 -17.163 -18.551 1.00 4.44 H new ATOM 667 N GLU A 44 -14.384 -18.916 -19.979 1.00 24.15 N ATOM 668 CA GLU A 44 -13.749 -20.048 -20.645 1.00 42.15 C ATOM 669 C GLU A 44 -12.412 -20.359 -19.982 1.00 51.42 C ATOM 670 O GLU A 44 -12.077 -21.516 -19.704 1.00 31.32 O ATOM 671 CB GLU A 44 -13.542 -19.743 -22.143 1.00 42.11 C ATOM 672 CG GLU A 44 -14.780 -19.179 -22.857 1.00 54.42 C ATOM 673 CD GLU A 44 -14.918 -17.663 -22.742 1.00 75.51 C ATOM 674 OE1 GLU A 44 -14.363 -16.942 -23.600 1.00 0.14 O ATOM 675 OE2 GLU A 44 -15.577 -17.186 -21.795 1.00 13.55 O ATOM 0 H GLU A 44 -14.596 -18.136 -20.601 1.00 24.15 H new ATOM 0 HA GLU A 44 -14.400 -20.918 -20.555 1.00 42.15 H new ATOM 0 HB2 GLU A 44 -12.723 -19.031 -22.246 1.00 42.11 H new ATOM 0 HB3 GLU A 44 -13.233 -20.658 -22.648 1.00 42.11 H new ATOM 0 HG2 GLU A 44 -14.736 -19.452 -23.911 1.00 54.42 H new ATOM 0 HG3 GLU A 44 -15.672 -19.649 -22.443 1.00 54.42 H new ATOM 682 N GLN A 45 -11.681 -19.296 -19.689 1.00 31.04 N ATOM 683 CA GLN A 45 -10.353 -19.398 -19.112 1.00 14.15 C ATOM 684 C GLN A 45 -10.441 -19.823 -17.651 1.00 53.01 C ATOM 685 O GLN A 45 -9.578 -20.540 -17.155 1.00 14.13 O ATOM 686 CB GLN A 45 -9.635 -18.056 -19.267 1.00 51.21 C ATOM 687 CG GLN A 45 -9.596 -17.581 -20.717 1.00 30.54 C ATOM 688 CD GLN A 45 -8.980 -16.205 -20.884 1.00 41.25 C ATOM 689 OE1 GLN A 45 -9.110 -15.347 -20.019 1.00 64.40 O ATOM 690 NE2 GLN A 45 -8.318 -15.981 -22.006 1.00 1.34 N ATOM 0 H GLN A 45 -11.993 -18.338 -19.845 1.00 31.04 H new ATOM 0 HA GLN A 45 -9.778 -20.161 -19.637 1.00 14.15 H new ATOM 0 HB2 GLN A 45 -10.136 -17.306 -18.655 1.00 51.21 H new ATOM 0 HB3 GLN A 45 -8.616 -18.146 -18.890 1.00 51.21 H new ATOM 0 HG2 GLN A 45 -9.031 -18.299 -21.311 1.00 30.54 H new ATOM 0 HG3 GLN A 45 -10.611 -17.567 -21.114 1.00 30.54 H new ATOM 0 HE21 GLN A 45 -8.231 -16.721 -22.703 1.00 1.34 H new ATOM 0 HE22 GLN A 45 -7.894 -15.069 -22.175 1.00 1.34 H new ATOM 699 N VAL A 46 -11.510 -19.407 -16.974 1.00 64.44 N ATOM 700 CA VAL A 46 -11.754 -19.828 -15.596 1.00 2.55 C ATOM 701 C VAL A 46 -12.075 -21.323 -15.561 1.00 12.42 C ATOM 702 O VAL A 46 -11.553 -22.070 -14.726 1.00 73.15 O ATOM 703 CB VAL A 46 -12.916 -19.031 -14.947 1.00 31.43 C ATOM 704 CG1 VAL A 46 -13.234 -19.565 -13.552 1.00 64.04 C ATOM 705 CG2 VAL A 46 -12.587 -17.539 -14.891 1.00 15.10 C ATOM 0 H VAL A 46 -12.219 -18.781 -17.356 1.00 64.44 H new ATOM 0 HA VAL A 46 -10.849 -19.627 -15.023 1.00 2.55 H new ATOM 0 HB VAL A 46 -13.801 -19.163 -15.569 1.00 31.43 H new ATOM 0 HG11 VAL A 46 -14.052 -18.989 -13.120 1.00 64.04 H new ATOM 0 HG12 VAL A 46 -13.525 -20.613 -13.621 1.00 64.04 H new ATOM 0 HG13 VAL A 46 -12.352 -19.475 -12.918 1.00 64.04 H new ATOM 0 HG21 VAL A 46 -13.416 -17.001 -14.432 1.00 15.10 H new ATOM 0 HG22 VAL A 46 -11.684 -17.387 -14.299 1.00 15.10 H new ATOM 0 HG23 VAL A 46 -12.426 -17.164 -15.902 1.00 15.10 H new ATOM 715 N GLN A 47 -12.919 -21.754 -16.494 1.00 74.22 N ATOM 716 CA GLN A 47 -13.305 -23.156 -16.592 1.00 73.34 C ATOM 717 C GLN A 47 -12.089 -23.988 -17.000 1.00 25.01 C ATOM 718 O GLN A 47 -11.985 -25.163 -16.650 1.00 54.32 O ATOM 719 CB GLN A 47 -14.461 -23.343 -17.596 1.00 71.34 C ATOM 720 CG GLN A 47 -15.540 -22.258 -17.518 1.00 23.23 C ATOM 721 CD GLN A 47 -16.289 -22.192 -16.191 1.00 21.44 C ATOM 722 OE1 GLN A 47 -15.790 -22.615 -15.146 1.00 4.54 O ATOM 723 NE2 GLN A 47 -17.474 -21.595 -16.214 1.00 3.44 N ATOM 0 H GLN A 47 -13.349 -21.150 -17.194 1.00 74.22 H new ATOM 0 HA GLN A 47 -13.661 -23.495 -15.619 1.00 73.34 H new ATOM 0 HB2 GLN A 47 -14.051 -23.361 -18.606 1.00 71.34 H new ATOM 0 HB3 GLN A 47 -14.925 -24.314 -17.423 1.00 71.34 H new ATOM 0 HG2 GLN A 47 -15.075 -21.290 -17.705 1.00 23.23 H new ATOM 0 HG3 GLN A 47 -16.261 -22.425 -18.318 1.00 23.23 H new ATOM 0 HE21 GLN A 47 -17.858 -21.257 -17.097 1.00 3.44 H new ATOM 0 HE22 GLN A 47 -18.001 -21.474 -15.349 1.00 3.44 H new ATOM 732 N GLU A 48 -11.163 -23.367 -17.734 1.00 35.04 N ATOM 733 CA GLU A 48 -9.887 -23.996 -18.040 1.00 64.51 C ATOM 734 C GLU A 48 -9.056 -24.157 -16.766 1.00 55.04 C ATOM 735 O GLU A 48 -8.524 -25.237 -16.500 1.00 73.40 O ATOM 736 CB GLU A 48 -9.121 -23.183 -19.099 1.00 43.20 C ATOM 737 CG GLU A 48 -7.613 -23.153 -18.880 1.00 42.23 C ATOM 738 CD GLU A 48 -6.830 -22.730 -20.110 1.00 41.42 C ATOM 739 OE1 GLU A 48 -6.865 -21.536 -20.465 1.00 52.21 O ATOM 740 OE2 GLU A 48 -6.177 -23.603 -20.729 1.00 51.14 O ATOM 0 H GLU A 48 -11.277 -22.432 -18.124 1.00 35.04 H new ATOM 0 HA GLU A 48 -10.077 -24.987 -18.452 1.00 64.51 H new ATOM 0 HB2 GLU A 48 -9.327 -23.602 -20.084 1.00 43.20 H new ATOM 0 HB3 GLU A 48 -9.499 -22.161 -19.102 1.00 43.20 H new ATOM 0 HG2 GLU A 48 -7.386 -22.469 -18.062 1.00 42.23 H new ATOM 0 HG3 GLU A 48 -7.279 -24.143 -18.570 1.00 42.23 H new ATOM 747 N VAL A 49 -8.953 -23.084 -15.979 1.00 34.21 N ATOM 748 CA VAL A 49 -8.212 -23.122 -14.717 1.00 32.22 C ATOM 749 C VAL A 49 -8.702 -24.272 -13.855 1.00 34.13 C ATOM 750 O VAL A 49 -7.907 -25.045 -13.324 1.00 25.13 O ATOM 751 CB VAL A 49 -8.339 -21.797 -13.914 1.00 3.23 C ATOM 752 CG1 VAL A 49 -7.637 -21.907 -12.559 1.00 62.33 C ATOM 753 CG2 VAL A 49 -7.777 -20.621 -14.705 1.00 71.11 C ATOM 0 H VAL A 49 -9.373 -22.179 -16.193 1.00 34.21 H new ATOM 0 HA VAL A 49 -7.162 -23.261 -14.973 1.00 32.22 H new ATOM 0 HB VAL A 49 -9.400 -21.619 -13.739 1.00 3.23 H new ATOM 0 HG11 VAL A 49 -7.741 -20.967 -12.018 1.00 62.33 H new ATOM 0 HG12 VAL A 49 -8.089 -22.711 -11.979 1.00 62.33 H new ATOM 0 HG13 VAL A 49 -6.580 -22.122 -12.713 1.00 62.33 H new ATOM 0 HG21 VAL A 49 -7.879 -19.707 -14.120 1.00 71.11 H new ATOM 0 HG22 VAL A 49 -6.723 -20.798 -14.921 1.00 71.11 H new ATOM 0 HG23 VAL A 49 -8.327 -20.516 -15.640 1.00 71.11 H new ATOM 763 N VAL A 50 -10.015 -24.395 -13.743 1.00 60.22 N ATOM 764 CA VAL A 50 -10.612 -25.434 -12.917 1.00 11.40 C ATOM 765 C VAL A 50 -10.481 -26.805 -13.579 1.00 72.34 C ATOM 766 O VAL A 50 -10.363 -27.822 -12.896 1.00 53.42 O ATOM 767 CB VAL A 50 -12.089 -25.111 -12.599 1.00 41.25 C ATOM 768 CG1 VAL A 50 -12.195 -23.685 -12.074 1.00 15.52 C ATOM 769 CG2 VAL A 50 -13.008 -25.315 -13.798 1.00 15.52 C ATOM 0 H VAL A 50 -10.688 -23.789 -14.213 1.00 60.22 H new ATOM 0 HA VAL A 50 -10.066 -25.465 -11.974 1.00 11.40 H new ATOM 0 HB VAL A 50 -12.424 -25.812 -11.834 1.00 41.25 H new ATOM 0 HG11 VAL A 50 -13.237 -23.456 -11.849 1.00 15.52 H new ATOM 0 HG12 VAL A 50 -11.598 -23.586 -11.167 1.00 15.52 H new ATOM 0 HG13 VAL A 50 -11.826 -22.991 -12.829 1.00 15.52 H new ATOM 0 HG21 VAL A 50 -14.033 -25.073 -13.516 1.00 15.52 H new ATOM 0 HG22 VAL A 50 -12.693 -24.664 -14.613 1.00 15.52 H new ATOM 0 HG23 VAL A 50 -12.957 -26.354 -14.123 1.00 15.52 H new ATOM 779 N ALA A 51 -10.485 -26.818 -14.910 1.00 31.45 N ATOM 780 CA ALA A 51 -10.264 -28.047 -15.673 1.00 42.34 C ATOM 781 C ALA A 51 -8.876 -28.619 -15.378 1.00 31.41 C ATOM 782 O ALA A 51 -8.683 -29.835 -15.363 1.00 25.24 O ATOM 783 CB ALA A 51 -10.434 -27.794 -17.167 1.00 44.10 C ATOM 0 H ALA A 51 -10.639 -25.990 -15.485 1.00 31.45 H new ATOM 0 HA ALA A 51 -11.011 -28.779 -15.365 1.00 42.34 H new ATOM 0 HB1 ALA A 51 -10.265 -28.721 -17.715 1.00 44.10 H new ATOM 0 HB2 ALA A 51 -11.445 -27.436 -17.363 1.00 44.10 H new ATOM 0 HB3 ALA A 51 -9.714 -27.044 -17.493 1.00 44.10 H new ATOM 789 N LYS A 52 -7.907 -27.733 -15.167 1.00 53.45 N ATOM 790 CA LYS A 52 -6.574 -28.140 -14.722 1.00 42.14 C ATOM 791 C LYS A 52 -6.591 -28.474 -13.223 1.00 3.33 C ATOM 792 O LYS A 52 -6.153 -29.549 -12.808 1.00 33.40 O ATOM 793 CB LYS A 52 -5.532 -27.040 -15.015 1.00 40.33 C ATOM 794 CG LYS A 52 -4.938 -27.064 -16.430 1.00 30.34 C ATOM 795 CD LYS A 52 -5.940 -26.670 -17.516 1.00 44.14 C ATOM 796 CE LYS A 52 -5.283 -26.642 -18.898 1.00 31.32 C ATOM 797 NZ LYS A 52 -6.232 -26.240 -19.972 1.00 11.24 N ATOM 0 H LYS A 52 -8.018 -26.727 -15.297 1.00 53.45 H new ATOM 0 HA LYS A 52 -6.289 -29.033 -15.278 1.00 42.14 H new ATOM 0 HB2 LYS A 52 -5.997 -26.068 -14.850 1.00 40.33 H new ATOM 0 HB3 LYS A 52 -4.719 -27.131 -14.295 1.00 40.33 H new ATOM 0 HG2 LYS A 52 -4.085 -26.386 -16.470 1.00 30.34 H new ATOM 0 HG3 LYS A 52 -4.560 -28.064 -16.640 1.00 30.34 H new ATOM 0 HD2 LYS A 52 -6.770 -27.376 -17.520 1.00 44.14 H new ATOM 0 HD3 LYS A 52 -6.357 -25.689 -17.290 1.00 44.14 H new ATOM 0 HE2 LYS A 52 -4.442 -25.949 -18.883 1.00 31.32 H new ATOM 0 HE3 LYS A 52 -4.879 -27.629 -19.125 1.00 31.32 H new ATOM 0 HZ1 LYS A 52 -5.834 -26.492 -20.899 1.00 11.24 H new ATOM 0 HZ2 LYS A 52 -7.137 -26.734 -19.838 1.00 11.24 H new ATOM 0 HZ3 LYS A 52 -6.389 -25.213 -19.930 1.00 11.24 H new ATOM 811 N LEU A 53 -7.126 -27.546 -12.426 1.00 5.45 N ATOM 812 CA LEU A 53 -7.174 -27.680 -10.964 1.00 72.44 C ATOM 813 C LEU A 53 -7.799 -29.004 -10.520 1.00 43.14 C ATOM 814 O LEU A 53 -7.438 -29.549 -9.476 1.00 30.51 O ATOM 815 CB LEU A 53 -7.974 -26.516 -10.340 1.00 61.32 C ATOM 816 CG LEU A 53 -7.197 -25.218 -10.045 1.00 62.23 C ATOM 817 CD1 LEU A 53 -8.051 -24.268 -9.223 1.00 3.31 C ATOM 818 CD2 LEU A 53 -5.882 -25.518 -9.326 1.00 15.34 C ATOM 0 H LEU A 53 -7.538 -26.680 -12.774 1.00 5.45 H new ATOM 0 HA LEU A 53 -6.141 -27.657 -10.616 1.00 72.44 H new ATOM 0 HB2 LEU A 53 -8.799 -26.273 -11.010 1.00 61.32 H new ATOM 0 HB3 LEU A 53 -8.414 -26.868 -9.407 1.00 61.32 H new ATOM 0 HG LEU A 53 -6.958 -24.740 -10.995 1.00 62.23 H new ATOM 0 HD11 LEU A 53 -7.490 -23.356 -9.022 1.00 3.31 H new ATOM 0 HD12 LEU A 53 -8.957 -24.022 -9.776 1.00 3.31 H new ATOM 0 HD13 LEU A 53 -8.320 -24.744 -8.280 1.00 3.31 H new ATOM 0 HD21 LEU A 53 -5.354 -24.585 -9.130 1.00 15.34 H new ATOM 0 HD22 LEU A 53 -6.090 -26.023 -8.382 1.00 15.34 H new ATOM 0 HD23 LEU A 53 -5.263 -26.161 -9.952 1.00 15.34 H new ATOM 830 N THR A 54 -8.740 -29.510 -11.310 1.00 2.31 N ATOM 831 CA THR A 54 -9.518 -30.679 -10.921 1.00 74.25 C ATOM 832 C THR A 54 -8.724 -31.981 -11.066 1.00 12.24 C ATOM 833 O THR A 54 -9.216 -33.054 -10.701 1.00 11.50 O ATOM 834 CB THR A 54 -10.832 -30.773 -11.735 1.00 54.25 C ATOM 835 OG1 THR A 54 -11.689 -31.776 -11.174 1.00 2.43 O ATOM 836 CG2 THR A 54 -10.555 -31.101 -13.199 1.00 33.32 C ATOM 0 H THR A 54 -8.982 -29.128 -12.224 1.00 2.31 H new ATOM 0 HA THR A 54 -9.760 -30.550 -9.866 1.00 74.25 H new ATOM 0 HB THR A 54 -11.324 -29.801 -11.687 1.00 54.25 H new ATOM 0 HG1 THR A 54 -12.178 -32.228 -11.893 1.00 2.43 H new ATOM 0 HG21 THR A 54 -11.498 -31.160 -13.743 1.00 33.32 H new ATOM 0 HG22 THR A 54 -9.932 -30.320 -13.635 1.00 33.32 H new ATOM 0 HG23 THR A 54 -10.037 -32.058 -13.266 1.00 33.32 H new ATOM 844 N ASP A 55 -7.506 -31.899 -11.601 1.00 13.25 N ATOM 845 CA ASP A 55 -6.643 -33.076 -11.714 1.00 1.54 C ATOM 846 C ASP A 55 -5.571 -33.024 -10.620 1.00 20.51 C ATOM 847 O ASP A 55 -4.572 -32.314 -10.758 1.00 75.23 O ATOM 848 CB ASP A 55 -5.988 -33.154 -13.104 1.00 3.22 C ATOM 849 CG ASP A 55 -5.349 -34.515 -13.379 1.00 40.30 C ATOM 850 OD1 ASP A 55 -4.411 -34.902 -12.652 1.00 52.23 O ATOM 851 OD2 ASP A 55 -5.790 -35.213 -14.319 1.00 74.12 O ATOM 0 H ASP A 55 -7.096 -31.037 -11.961 1.00 13.25 H new ATOM 0 HA ASP A 55 -7.252 -33.971 -11.586 1.00 1.54 H new ATOM 0 HB2 ASP A 55 -6.739 -32.949 -13.867 1.00 3.22 H new ATOM 0 HB3 ASP A 55 -5.228 -32.377 -13.187 1.00 3.22 H new ATOM 856 N PRO A 56 -5.769 -33.770 -9.512 1.00 62.43 N ATOM 857 CA PRO A 56 -4.881 -33.705 -8.337 1.00 43.13 C ATOM 858 C PRO A 56 -3.545 -34.411 -8.561 1.00 2.34 C ATOM 859 O PRO A 56 -2.631 -34.313 -7.738 1.00 53.10 O ATOM 860 CB PRO A 56 -5.697 -34.418 -7.252 1.00 74.10 C ATOM 861 CG PRO A 56 -6.532 -35.402 -8.002 1.00 74.41 C ATOM 862 CD PRO A 56 -6.870 -34.740 -9.316 1.00 55.11 C ATOM 0 HA PRO A 56 -4.607 -32.680 -8.088 1.00 43.13 H new ATOM 0 HB2 PRO A 56 -5.049 -34.915 -6.530 1.00 74.10 H new ATOM 0 HB3 PRO A 56 -6.316 -33.715 -6.694 1.00 74.10 H new ATOM 0 HG2 PRO A 56 -5.989 -36.333 -8.162 1.00 74.41 H new ATOM 0 HG3 PRO A 56 -7.436 -35.651 -7.446 1.00 74.41 H new ATOM 0 HD2 PRO A 56 -6.916 -35.464 -10.129 1.00 55.11 H new ATOM 0 HD3 PRO A 56 -7.839 -34.243 -9.277 1.00 55.11 H new ATOM 870 N GLU A 57 -3.443 -35.130 -9.671 1.00 53.21 N ATOM 871 CA GLU A 57 -2.236 -35.875 -9.997 1.00 31.20 C ATOM 872 C GLU A 57 -1.272 -34.968 -10.760 1.00 11.32 C ATOM 873 O GLU A 57 -0.091 -34.873 -10.423 1.00 40.10 O ATOM 874 CB GLU A 57 -2.611 -37.118 -10.828 1.00 11.23 C ATOM 875 CG GLU A 57 -1.513 -38.181 -10.956 1.00 74.52 C ATOM 876 CD GLU A 57 -0.333 -37.753 -11.818 1.00 43.42 C ATOM 877 OE1 GLU A 57 -0.558 -37.314 -12.966 1.00 15.41 O ATOM 878 OE2 GLU A 57 0.824 -37.858 -11.351 1.00 10.41 O ATOM 0 H GLU A 57 -4.187 -35.213 -10.364 1.00 53.21 H new ATOM 0 HA GLU A 57 -1.742 -36.210 -9.085 1.00 31.20 H new ATOM 0 HB2 GLU A 57 -3.491 -37.581 -10.381 1.00 11.23 H new ATOM 0 HB3 GLU A 57 -2.896 -36.793 -11.828 1.00 11.23 H new ATOM 0 HG2 GLU A 57 -1.149 -38.434 -9.960 1.00 74.52 H new ATOM 0 HG3 GLU A 57 -1.947 -39.088 -11.377 1.00 74.52 H new ATOM 885 N SER A 58 -1.798 -34.278 -11.766 1.00 43.04 N ATOM 886 CA SER A 58 -0.992 -33.418 -12.622 1.00 14.11 C ATOM 887 C SER A 58 -0.402 -32.262 -11.813 1.00 64.34 C ATOM 888 O SER A 58 0.786 -31.951 -11.937 1.00 15.34 O ATOM 889 CB SER A 58 -1.842 -32.888 -13.787 1.00 53.34 C ATOM 890 OG SER A 58 -1.054 -32.163 -14.716 1.00 0.11 O ATOM 0 H SER A 58 -2.788 -34.299 -12.009 1.00 43.04 H new ATOM 0 HA SER A 58 -0.168 -34.002 -13.032 1.00 14.11 H new ATOM 0 HB2 SER A 58 -2.328 -33.722 -14.293 1.00 53.34 H new ATOM 0 HB3 SER A 58 -2.633 -32.246 -13.399 1.00 53.34 H new ATOM 0 HG SER A 58 -1.623 -31.840 -15.446 1.00 0.11 H new ATOM 896 N SER A 59 -1.227 -31.645 -10.965 1.00 11.31 N ATOM 897 CA SER A 59 -0.790 -30.517 -10.142 1.00 64.13 C ATOM 898 C SER A 59 0.459 -30.883 -9.337 1.00 74.10 C ATOM 899 O SER A 59 1.376 -30.071 -9.175 1.00 53.43 O ATOM 900 CB SER A 59 -1.930 -30.085 -9.209 1.00 5.10 C ATOM 901 OG SER A 59 -2.512 -31.207 -8.564 1.00 31.55 O ATOM 0 H SER A 59 -2.203 -31.909 -10.830 1.00 11.31 H new ATOM 0 HA SER A 59 -0.532 -29.683 -10.795 1.00 64.13 H new ATOM 0 HB2 SER A 59 -1.549 -29.389 -8.462 1.00 5.10 H new ATOM 0 HB3 SER A 59 -2.691 -29.554 -9.781 1.00 5.10 H new ATOM 0 HG SER A 59 -3.180 -31.614 -9.154 1.00 31.55 H new ATOM 907 N ALA A 60 0.506 -32.136 -8.890 1.00 52.35 N ATOM 908 CA ALA A 60 1.599 -32.635 -8.062 1.00 44.05 C ATOM 909 C ALA A 60 2.957 -32.531 -8.763 1.00 65.01 C ATOM 910 O ALA A 60 3.996 -32.629 -8.111 1.00 55.43 O ATOM 911 CB ALA A 60 1.326 -34.078 -7.644 1.00 33.33 C ATOM 0 H ALA A 60 -0.212 -32.832 -9.092 1.00 52.35 H new ATOM 0 HA ALA A 60 1.648 -32.003 -7.175 1.00 44.05 H new ATOM 0 HB1 ALA A 60 2.148 -34.440 -7.027 1.00 33.33 H new ATOM 0 HB2 ALA A 60 0.398 -34.122 -7.074 1.00 33.33 H new ATOM 0 HB3 ALA A 60 1.237 -34.703 -8.532 1.00 33.33 H new ATOM 917 N GLN A 61 2.959 -32.337 -10.084 1.00 51.35 N ATOM 918 CA GLN A 61 4.218 -32.218 -10.824 1.00 31.01 C ATOM 919 C GLN A 61 4.333 -30.872 -11.544 1.00 42.21 C ATOM 920 O GLN A 61 5.443 -30.414 -11.819 1.00 61.11 O ATOM 921 CB GLN A 61 4.378 -33.365 -11.831 1.00 62.35 C ATOM 922 CG GLN A 61 3.370 -33.346 -12.973 1.00 12.53 C ATOM 923 CD GLN A 61 3.637 -34.436 -13.997 1.00 33.44 C ATOM 924 OE1 GLN A 61 3.111 -35.544 -13.898 1.00 35.13 O ATOM 925 NE2 GLN A 61 4.465 -34.133 -14.983 1.00 62.21 N ATOM 0 H GLN A 61 2.118 -32.260 -10.656 1.00 51.35 H new ATOM 0 HA GLN A 61 5.021 -32.278 -10.090 1.00 31.01 H new ATOM 0 HB2 GLN A 61 5.384 -33.327 -12.250 1.00 62.35 H new ATOM 0 HB3 GLN A 61 4.289 -34.313 -11.300 1.00 62.35 H new ATOM 0 HG2 GLN A 61 2.365 -33.468 -12.569 1.00 12.53 H new ATOM 0 HG3 GLN A 61 3.400 -32.374 -13.465 1.00 12.53 H new ATOM 0 HE21 GLN A 61 4.882 -33.203 -15.032 1.00 62.21 H new ATOM 0 HE22 GLN A 61 4.687 -34.829 -15.695 1.00 62.21 H new ATOM 934 N ILE A 62 3.198 -30.238 -11.851 1.00 4.23 N ATOM 935 CA ILE A 62 3.219 -28.956 -12.565 1.00 32.12 C ATOM 936 C ILE A 62 4.061 -27.934 -11.802 1.00 0.54 C ATOM 937 O ILE A 62 4.945 -27.285 -12.373 1.00 12.44 O ATOM 938 CB ILE A 62 1.795 -28.383 -12.802 1.00 60.44 C ATOM 939 CG1 ILE A 62 0.936 -29.371 -13.608 1.00 42.11 C ATOM 940 CG2 ILE A 62 1.874 -27.037 -13.527 1.00 4.10 C ATOM 941 CD1 ILE A 62 -0.478 -28.892 -13.875 1.00 43.34 C ATOM 0 H ILE A 62 2.266 -30.584 -11.621 1.00 4.23 H new ATOM 0 HA ILE A 62 3.664 -29.148 -13.541 1.00 32.12 H new ATOM 0 HB ILE A 62 1.324 -28.231 -11.831 1.00 60.44 H new ATOM 0 HG12 ILE A 62 1.427 -29.568 -14.561 1.00 42.11 H new ATOM 0 HG13 ILE A 62 0.891 -30.318 -13.071 1.00 42.11 H new ATOM 0 HG21 ILE A 62 0.868 -26.649 -13.685 1.00 4.10 H new ATOM 0 HG22 ILE A 62 2.444 -26.331 -12.923 1.00 4.10 H new ATOM 0 HG23 ILE A 62 2.367 -27.171 -14.490 1.00 4.10 H new ATOM 0 HD11 ILE A 62 -1.016 -29.647 -14.448 1.00 43.34 H new ATOM 0 HD12 ILE A 62 -0.990 -28.723 -12.928 1.00 43.34 H new ATOM 0 HD13 ILE A 62 -0.446 -27.961 -14.441 1.00 43.34 H new ATOM 953 N ASP A 63 3.789 -27.797 -10.510 1.00 4.21 N ATOM 954 CA ASP A 63 4.592 -26.941 -9.639 1.00 24.12 C ATOM 955 C ASP A 63 5.257 -27.773 -8.542 1.00 32.11 C ATOM 956 O ASP A 63 6.171 -27.304 -7.865 1.00 51.03 O ATOM 957 CB ASP A 63 3.740 -25.820 -9.030 1.00 63.41 C ATOM 958 CG ASP A 63 2.558 -26.348 -8.243 1.00 3.22 C ATOM 959 OD1 ASP A 63 1.502 -26.599 -8.862 1.00 51.45 O ATOM 960 OD2 ASP A 63 2.687 -26.513 -7.013 1.00 1.22 O ATOM 0 H ASP A 63 3.017 -28.268 -10.039 1.00 4.21 H new ATOM 0 HA ASP A 63 5.372 -26.476 -10.243 1.00 24.12 H new ATOM 0 HB2 ASP A 63 4.363 -25.209 -8.377 1.00 63.41 H new ATOM 0 HB3 ASP A 63 3.380 -25.169 -9.827 1.00 63.41 H new ATOM 965 N GLY A 64 4.792 -29.013 -8.373 1.00 4.34 N ATOM 966 CA GLY A 64 5.505 -29.977 -7.543 1.00 4.15 C ATOM 967 C GLY A 64 4.833 -30.285 -6.212 1.00 21.32 C ATOM 968 O GLY A 64 5.308 -31.152 -5.468 1.00 74.55 O ATOM 0 H GLY A 64 3.934 -29.367 -8.796 1.00 4.34 H new ATOM 0 HA2 GLY A 64 5.617 -30.906 -8.102 1.00 4.15 H new ATOM 0 HA3 GLY A 64 6.509 -29.598 -7.350 1.00 4.15 H new ATOM 972 N VAL A 65 3.737 -29.600 -5.895 1.00 53.23 N ATOM 973 CA VAL A 65 3.024 -29.841 -4.640 1.00 5.12 C ATOM 974 C VAL A 65 1.515 -29.777 -4.840 1.00 22.24 C ATOM 975 O VAL A 65 1.033 -29.284 -5.860 1.00 34.45 O ATOM 976 CB VAL A 65 3.419 -28.817 -3.545 1.00 20.52 C ATOM 977 CG1 VAL A 65 4.892 -28.949 -3.160 1.00 63.22 C ATOM 978 CG2 VAL A 65 3.099 -27.397 -3.999 1.00 11.54 C ATOM 0 H VAL A 65 3.324 -28.878 -6.485 1.00 53.23 H new ATOM 0 HA VAL A 65 3.310 -30.841 -4.314 1.00 5.12 H new ATOM 0 HB VAL A 65 2.828 -29.035 -2.655 1.00 20.52 H new ATOM 0 HG11 VAL A 65 5.134 -28.216 -2.390 1.00 63.22 H new ATOM 0 HG12 VAL A 65 5.080 -29.952 -2.777 1.00 63.22 H new ATOM 0 HG13 VAL A 65 5.515 -28.773 -4.037 1.00 63.22 H new ATOM 0 HG21 VAL A 65 3.383 -26.692 -3.217 1.00 11.54 H new ATOM 0 HG22 VAL A 65 3.654 -27.172 -4.910 1.00 11.54 H new ATOM 0 HG23 VAL A 65 2.030 -27.310 -4.195 1.00 11.54 H new ATOM 988 N VAL A 66 0.778 -30.294 -3.860 1.00 30.32 N ATOM 989 CA VAL A 66 -0.673 -30.170 -3.834 1.00 1.42 C ATOM 990 C VAL A 66 -1.109 -29.455 -2.559 1.00 32.13 C ATOM 991 O VAL A 66 -1.106 -30.032 -1.469 1.00 51.15 O ATOM 992 CB VAL A 66 -1.388 -31.542 -3.925 1.00 14.41 C ATOM 993 CG1 VAL A 66 -2.907 -31.358 -3.897 1.00 5.23 C ATOM 994 CG2 VAL A 66 -0.955 -32.297 -5.180 1.00 34.45 C ATOM 0 H VAL A 66 1.168 -30.806 -3.069 1.00 30.32 H new ATOM 0 HA VAL A 66 -0.961 -29.590 -4.711 1.00 1.42 H new ATOM 0 HB VAL A 66 -1.100 -32.137 -3.058 1.00 14.41 H new ATOM 0 HG11 VAL A 66 -3.393 -32.332 -3.962 1.00 5.23 H new ATOM 0 HG12 VAL A 66 -3.197 -30.869 -2.967 1.00 5.23 H new ATOM 0 HG13 VAL A 66 -3.215 -30.742 -4.742 1.00 5.23 H new ATOM 0 HG21 VAL A 66 -1.470 -33.257 -5.223 1.00 34.45 H new ATOM 0 HG22 VAL A 66 -1.208 -31.710 -6.063 1.00 34.45 H new ATOM 0 HG23 VAL A 66 0.122 -32.464 -5.151 1.00 34.45 H new ATOM 1004 N SER A 67 -1.440 -28.186 -2.704 1.00 53.53 N ATOM 1005 CA SER A 67 -1.964 -27.371 -1.620 1.00 63.30 C ATOM 1006 C SER A 67 -2.978 -26.408 -2.223 1.00 25.11 C ATOM 1007 O SER A 67 -2.800 -25.992 -3.357 1.00 45.11 O ATOM 1008 CB SER A 67 -0.819 -26.621 -0.930 1.00 44.10 C ATOM 1009 OG SER A 67 0.206 -27.517 -0.523 1.00 1.41 O ATOM 0 H SER A 67 -1.352 -27.684 -3.588 1.00 53.53 H new ATOM 0 HA SER A 67 -2.448 -27.986 -0.862 1.00 63.30 H new ATOM 0 HB2 SER A 67 -0.406 -25.876 -1.610 1.00 44.10 H new ATOM 0 HB3 SER A 67 -1.202 -26.084 -0.063 1.00 44.10 H new ATOM 0 HG SER A 67 0.926 -27.015 -0.087 1.00 1.41 H new ATOM 1015 N LYS A 68 -4.027 -26.055 -1.485 1.00 41.35 N ATOM 1016 CA LYS A 68 -5.172 -25.354 -2.075 1.00 53.40 C ATOM 1017 C LYS A 68 -4.789 -23.983 -2.649 1.00 61.41 C ATOM 1018 O LYS A 68 -5.493 -23.444 -3.506 1.00 72.23 O ATOM 1019 CB LYS A 68 -6.341 -25.247 -1.084 1.00 10.32 C ATOM 1020 CG LYS A 68 -7.689 -24.983 -1.764 1.00 71.13 C ATOM 1021 CD LYS A 68 -7.912 -25.917 -2.964 1.00 22.42 C ATOM 1022 CE LYS A 68 -7.891 -27.396 -2.571 1.00 22.41 C ATOM 1023 NZ LYS A 68 -7.649 -28.286 -3.744 1.00 5.02 N ATOM 0 H LYS A 68 -4.112 -26.239 -0.485 1.00 41.35 H new ATOM 0 HA LYS A 68 -5.509 -25.960 -2.916 1.00 53.40 H new ATOM 0 HB2 LYS A 68 -6.407 -26.171 -0.509 1.00 10.32 H new ATOM 0 HB3 LYS A 68 -6.136 -24.444 -0.376 1.00 10.32 H new ATOM 0 HG2 LYS A 68 -8.494 -25.120 -1.042 1.00 71.13 H new ATOM 0 HG3 LYS A 68 -7.732 -23.946 -2.097 1.00 71.13 H new ATOM 0 HD2 LYS A 68 -8.869 -25.682 -3.429 1.00 22.42 H new ATOM 0 HD3 LYS A 68 -7.140 -25.733 -3.711 1.00 22.42 H new ATOM 0 HE2 LYS A 68 -7.114 -27.561 -1.825 1.00 22.41 H new ATOM 0 HE3 LYS A 68 -8.841 -27.660 -2.106 1.00 22.41 H new ATOM 0 HZ1 LYS A 68 -7.626 -29.277 -3.429 1.00 5.02 H new ATOM 0 HZ2 LYS A 68 -8.413 -28.161 -4.438 1.00 5.02 H new ATOM 0 HZ3 LYS A 68 -6.739 -28.041 -4.184 1.00 5.02 H new ATOM 1037 N ASP A 69 -3.682 -23.417 -2.168 1.00 15.13 N ATOM 1038 CA ASP A 69 -3.092 -22.211 -2.775 1.00 73.13 C ATOM 1039 C ASP A 69 -2.863 -22.414 -4.281 1.00 2.11 C ATOM 1040 O ASP A 69 -2.659 -21.455 -5.028 1.00 71.50 O ATOM 1041 CB ASP A 69 -1.790 -21.783 -2.073 1.00 3.14 C ATOM 1042 CG ASP A 69 -0.672 -22.810 -2.152 1.00 33.44 C ATOM 1043 OD1 ASP A 69 0.052 -22.840 -3.169 1.00 53.11 O ATOM 1044 OD2 ASP A 69 -0.482 -23.560 -1.171 1.00 3.03 O ATOM 0 H ASP A 69 -3.171 -23.770 -1.359 1.00 15.13 H new ATOM 0 HA ASP A 69 -3.808 -21.400 -2.640 1.00 73.13 H new ATOM 0 HB2 ASP A 69 -1.442 -20.849 -2.515 1.00 3.14 H new ATOM 0 HB3 ASP A 69 -2.006 -21.578 -1.025 1.00 3.14 H new ATOM 1049 N GLU A 70 -2.913 -23.676 -4.708 1.00 14.54 N ATOM 1050 CA GLU A 70 -2.710 -24.069 -6.101 1.00 21.21 C ATOM 1051 C GLU A 70 -3.619 -23.271 -7.035 1.00 20.22 C ATOM 1052 O GLU A 70 -3.268 -23.023 -8.189 1.00 62.31 O ATOM 1053 CB GLU A 70 -3.055 -25.562 -6.244 1.00 43.43 C ATOM 1054 CG GLU A 70 -4.524 -25.856 -5.912 1.00 54.45 C ATOM 1055 CD GLU A 70 -4.844 -27.334 -5.753 1.00 72.43 C ATOM 1056 OE1 GLU A 70 -4.971 -28.034 -6.775 1.00 33.23 O ATOM 1057 OE2 GLU A 70 -5.020 -27.792 -4.601 1.00 53.25 O ATOM 0 H GLU A 70 -3.098 -24.464 -4.087 1.00 14.54 H new ATOM 0 HA GLU A 70 -1.672 -23.875 -6.371 1.00 21.21 H new ATOM 0 HB2 GLU A 70 -2.844 -25.885 -7.263 1.00 43.43 H new ATOM 0 HB3 GLU A 70 -2.412 -26.146 -5.585 1.00 43.43 H new ATOM 0 HG2 GLU A 70 -4.787 -25.338 -4.990 1.00 54.45 H new ATOM 0 HG3 GLU A 70 -5.153 -25.443 -6.701 1.00 54.45 H new ATOM 1064 N ILE A 71 -4.776 -22.845 -6.522 1.00 21.23 N ATOM 1065 CA ILE A 71 -5.724 -22.093 -7.327 1.00 21.42 C ATOM 1066 C ILE A 71 -5.055 -20.814 -7.828 1.00 5.33 C ATOM 1067 O ILE A 71 -5.127 -20.480 -9.010 1.00 63.22 O ATOM 1068 CB ILE A 71 -7.011 -21.728 -6.537 1.00 25.30 C ATOM 1069 CG1 ILE A 71 -7.667 -22.980 -5.912 1.00 51.32 C ATOM 1070 CG2 ILE A 71 -8.002 -21.026 -7.460 1.00 34.21 C ATOM 1071 CD1 ILE A 71 -8.823 -22.662 -4.982 1.00 41.44 C ATOM 0 H ILE A 71 -5.072 -23.009 -5.560 1.00 21.23 H new ATOM 0 HA ILE A 71 -6.022 -22.725 -8.164 1.00 21.42 H new ATOM 0 HB ILE A 71 -6.729 -21.058 -5.725 1.00 25.30 H new ATOM 0 HG12 ILE A 71 -8.023 -23.630 -6.711 1.00 51.32 H new ATOM 0 HG13 ILE A 71 -6.911 -23.538 -5.360 1.00 51.32 H new ATOM 0 HG21 ILE A 71 -8.903 -20.772 -6.901 1.00 34.21 H new ATOM 0 HG22 ILE A 71 -7.550 -20.115 -7.854 1.00 34.21 H new ATOM 0 HG23 ILE A 71 -8.262 -21.688 -8.286 1.00 34.21 H new ATOM 0 HD11 ILE A 71 -9.233 -23.589 -4.581 1.00 41.44 H new ATOM 0 HD12 ILE A 71 -8.469 -22.038 -4.162 1.00 41.44 H new ATOM 0 HD13 ILE A 71 -9.598 -22.131 -5.534 1.00 41.44 H new ATOM 1083 N GLU A 72 -4.363 -20.139 -6.912 1.00 15.22 N ATOM 1084 CA GLU A 72 -3.650 -18.900 -7.215 1.00 53.51 C ATOM 1085 C GLU A 72 -2.608 -19.138 -8.308 1.00 55.15 C ATOM 1086 O GLU A 72 -2.515 -18.378 -9.276 1.00 64.43 O ATOM 1087 CB GLU A 72 -2.960 -18.375 -5.947 1.00 52.51 C ATOM 1088 CG GLU A 72 -3.859 -18.375 -4.714 1.00 33.15 C ATOM 1089 CD GLU A 72 -3.171 -17.802 -3.484 1.00 43.24 C ATOM 1090 OE1 GLU A 72 -2.793 -16.610 -3.504 1.00 15.35 O ATOM 1091 OE2 GLU A 72 -3.001 -18.538 -2.491 1.00 52.10 O ATOM 0 H GLU A 72 -4.281 -20.436 -5.940 1.00 15.22 H new ATOM 0 HA GLU A 72 -4.368 -18.161 -7.570 1.00 53.51 H new ATOM 0 HB2 GLU A 72 -2.080 -18.985 -5.744 1.00 52.51 H new ATOM 0 HB3 GLU A 72 -2.609 -17.359 -6.129 1.00 52.51 H new ATOM 0 HG2 GLU A 72 -4.758 -17.796 -4.925 1.00 33.15 H new ATOM 0 HG3 GLU A 72 -4.180 -19.395 -4.503 1.00 33.15 H new ATOM 1098 N LYS A 73 -1.839 -20.213 -8.143 1.00 41.33 N ATOM 1099 CA LYS A 73 -0.780 -20.571 -9.084 1.00 45.24 C ATOM 1100 C LYS A 73 -1.346 -20.793 -10.487 1.00 24.45 C ATOM 1101 O LYS A 73 -0.830 -20.250 -11.464 1.00 4.23 O ATOM 1102 CB LYS A 73 -0.045 -21.829 -8.588 1.00 73.41 C ATOM 1103 CG LYS A 73 0.893 -22.475 -9.611 1.00 61.01 C ATOM 1104 CD LYS A 73 1.977 -21.523 -10.117 1.00 25.10 C ATOM 1105 CE LYS A 73 2.938 -22.225 -11.077 1.00 44.05 C ATOM 1106 NZ LYS A 73 2.237 -22.835 -12.244 1.00 4.13 N ATOM 0 H LYS A 73 -1.932 -20.857 -7.358 1.00 41.33 H new ATOM 0 HA LYS A 73 -0.070 -19.746 -9.140 1.00 45.24 H new ATOM 0 HB2 LYS A 73 0.533 -21.568 -7.701 1.00 73.41 H new ATOM 0 HB3 LYS A 73 -0.786 -22.567 -8.280 1.00 73.41 H new ATOM 0 HG2 LYS A 73 1.366 -23.348 -9.161 1.00 61.01 H new ATOM 0 HG3 LYS A 73 0.307 -22.831 -10.458 1.00 61.01 H new ATOM 0 HD2 LYS A 73 1.512 -20.676 -10.621 1.00 25.10 H new ATOM 0 HD3 LYS A 73 2.535 -21.123 -9.270 1.00 25.10 H new ATOM 0 HE2 LYS A 73 3.677 -21.508 -11.435 1.00 44.05 H new ATOM 0 HE3 LYS A 73 3.482 -23.001 -10.538 1.00 44.05 H new ATOM 0 HZ1 LYS A 73 2.934 -23.283 -12.872 1.00 4.13 H new ATOM 0 HZ2 LYS A 73 1.563 -23.552 -11.908 1.00 4.13 H new ATOM 0 HZ3 LYS A 73 1.725 -22.096 -12.767 1.00 4.13 H new ATOM 1120 N PHE A 74 -2.411 -21.577 -10.575 1.00 11.22 N ATOM 1121 CA PHE A 74 -3.024 -21.897 -11.860 1.00 22.20 C ATOM 1122 C PHE A 74 -3.642 -20.654 -12.502 1.00 73.02 C ATOM 1123 O PHE A 74 -3.588 -20.496 -13.719 1.00 45.14 O ATOM 1124 CB PHE A 74 -4.066 -23.013 -11.695 1.00 10.05 C ATOM 1125 CG PHE A 74 -3.459 -24.394 -11.556 1.00 14.54 C ATOM 1126 CD1 PHE A 74 -2.560 -24.684 -10.537 1.00 44.33 C ATOM 1127 CD2 PHE A 74 -3.795 -25.405 -12.446 1.00 44.31 C ATOM 1128 CE1 PHE A 74 -2.013 -25.948 -10.412 1.00 1.45 C ATOM 1129 CE2 PHE A 74 -3.249 -26.669 -12.324 1.00 73.32 C ATOM 1130 CZ PHE A 74 -2.358 -26.940 -11.306 1.00 62.40 C ATOM 0 H PHE A 74 -2.871 -22.005 -9.771 1.00 11.22 H new ATOM 0 HA PHE A 74 -2.243 -22.257 -12.530 1.00 22.20 H new ATOM 0 HB2 PHE A 74 -4.675 -22.803 -10.816 1.00 10.05 H new ATOM 0 HB3 PHE A 74 -4.735 -23.004 -12.556 1.00 10.05 H new ATOM 0 HD1 PHE A 74 -2.285 -23.912 -9.833 1.00 44.33 H new ATOM 0 HD2 PHE A 74 -4.493 -25.201 -13.245 1.00 44.31 H new ATOM 0 HE1 PHE A 74 -1.316 -26.158 -9.614 1.00 1.45 H new ATOM 0 HE2 PHE A 74 -3.520 -27.444 -13.025 1.00 73.32 H new ATOM 0 HZ PHE A 74 -1.931 -27.927 -11.209 1.00 62.40 H new ATOM 1140 N ILE A 75 -4.203 -19.764 -11.687 1.00 65.43 N ATOM 1141 CA ILE A 75 -4.782 -18.521 -12.199 1.00 31.44 C ATOM 1142 C ILE A 75 -3.697 -17.640 -12.815 1.00 22.43 C ATOM 1143 O ILE A 75 -3.794 -17.223 -13.972 1.00 22.03 O ATOM 1144 CB ILE A 75 -5.496 -17.730 -11.076 1.00 14.34 C ATOM 1145 CG1 ILE A 75 -6.723 -18.504 -10.570 1.00 51.04 C ATOM 1146 CG2 ILE A 75 -5.892 -16.331 -11.549 1.00 31.23 C ATOM 1147 CD1 ILE A 75 -7.343 -17.913 -9.323 1.00 30.54 C ATOM 0 H ILE A 75 -4.270 -19.877 -10.676 1.00 65.43 H new ATOM 0 HA ILE A 75 -5.513 -18.791 -12.961 1.00 31.44 H new ATOM 0 HB ILE A 75 -4.796 -17.613 -10.248 1.00 14.34 H new ATOM 0 HG12 ILE A 75 -7.474 -18.533 -11.360 1.00 51.04 H new ATOM 0 HG13 ILE A 75 -6.433 -19.535 -10.367 1.00 51.04 H new ATOM 0 HG21 ILE A 75 -6.391 -15.801 -10.738 1.00 31.23 H new ATOM 0 HG22 ILE A 75 -4.999 -15.781 -11.847 1.00 31.23 H new ATOM 0 HG23 ILE A 75 -6.568 -16.412 -12.400 1.00 31.23 H new ATOM 0 HD11 ILE A 75 -8.203 -18.512 -9.025 1.00 30.54 H new ATOM 0 HD12 ILE A 75 -6.608 -17.909 -8.518 1.00 30.54 H new ATOM 0 HD13 ILE A 75 -7.665 -16.892 -9.526 1.00 30.54 H new ATOM 1159 N ALA A 76 -2.632 -17.409 -12.053 1.00 52.44 N ATOM 1160 CA ALA A 76 -1.532 -16.571 -12.512 1.00 4.04 C ATOM 1161 C ALA A 76 -0.855 -17.210 -13.717 1.00 21.11 C ATOM 1162 O ALA A 76 -0.253 -16.530 -14.546 1.00 25.25 O ATOM 1163 CB ALA A 76 -0.533 -16.344 -11.385 1.00 5.44 C ATOM 0 H ALA A 76 -2.509 -17.791 -11.115 1.00 52.44 H new ATOM 0 HA ALA A 76 -1.928 -15.602 -12.814 1.00 4.04 H new ATOM 0 HB1 ALA A 76 0.283 -15.716 -11.743 1.00 5.44 H new ATOM 0 HB2 ALA A 76 -1.032 -15.850 -10.551 1.00 5.44 H new ATOM 0 HB3 ALA A 76 -0.135 -17.303 -11.053 1.00 5.44 H new ATOM 1169 N ASP A 77 -0.994 -18.526 -13.808 1.00 61.03 N ATOM 1170 CA ASP A 77 -0.397 -19.307 -14.878 1.00 42.01 C ATOM 1171 C ASP A 77 -1.110 -19.034 -16.206 1.00 61.43 C ATOM 1172 O ASP A 77 -0.534 -19.222 -17.278 1.00 2.14 O ATOM 1173 CB ASP A 77 -0.470 -20.797 -14.517 1.00 63.45 C ATOM 1174 CG ASP A 77 0.551 -21.642 -15.256 1.00 43.21 C ATOM 1175 OD1 ASP A 77 1.706 -21.729 -14.780 1.00 14.33 O ATOM 1176 OD2 ASP A 77 0.203 -22.246 -16.291 1.00 31.32 O ATOM 0 H ASP A 77 -1.526 -19.082 -13.138 1.00 61.03 H new ATOM 0 HA ASP A 77 0.647 -19.019 -14.996 1.00 42.01 H new ATOM 0 HB2 ASP A 77 -0.319 -20.912 -13.444 1.00 63.45 H new ATOM 0 HB3 ASP A 77 -1.470 -21.170 -14.740 1.00 63.45 H new ATOM 1181 N VAL A 78 -2.359 -18.557 -16.130 1.00 0.21 N ATOM 1182 CA VAL A 78 -3.156 -18.260 -17.330 1.00 54.41 C ATOM 1183 C VAL A 78 -2.981 -16.789 -17.728 1.00 22.23 C ATOM 1184 O VAL A 78 -3.920 -16.115 -18.143 1.00 42.11 O ATOM 1185 CB VAL A 78 -4.661 -18.583 -17.105 1.00 74.43 C ATOM 1186 CG1 VAL A 78 -5.467 -18.470 -18.404 1.00 55.44 C ATOM 1187 CG2 VAL A 78 -4.821 -19.976 -16.505 1.00 24.11 C ATOM 0 H VAL A 78 -2.841 -18.368 -15.251 1.00 0.21 H new ATOM 0 HA VAL A 78 -2.796 -18.895 -18.140 1.00 54.41 H new ATOM 0 HB VAL A 78 -5.054 -17.845 -16.406 1.00 74.43 H new ATOM 0 HG11 VAL A 78 -6.513 -18.703 -18.205 1.00 55.44 H new ATOM 0 HG12 VAL A 78 -5.389 -17.455 -18.793 1.00 55.44 H new ATOM 0 HG13 VAL A 78 -5.073 -19.172 -19.139 1.00 55.44 H new ATOM 0 HG21 VAL A 78 -5.879 -20.187 -16.353 1.00 24.11 H new ATOM 0 HG22 VAL A 78 -4.397 -20.716 -17.184 1.00 24.11 H new ATOM 0 HG23 VAL A 78 -4.301 -20.022 -15.548 1.00 24.11 H new ATOM 1197 N THR A 79 -1.751 -16.301 -17.580 1.00 30.41 N ATOM 1198 CA THR A 79 -1.387 -14.940 -17.979 1.00 54.12 C ATOM 1199 C THR A 79 -2.152 -13.893 -17.162 1.00 71.50 C ATOM 1200 O THR A 79 -2.155 -12.708 -17.504 1.00 33.50 O ATOM 1201 CB THR A 79 -1.671 -14.715 -19.492 1.00 72.30 C ATOM 1202 OG1 THR A 79 -1.248 -15.869 -20.242 1.00 53.21 O ATOM 1203 CG2 THR A 79 -0.939 -13.487 -20.027 1.00 22.22 C ATOM 0 H THR A 79 -0.979 -16.835 -17.181 1.00 30.41 H new ATOM 0 HA THR A 79 -0.320 -14.823 -17.788 1.00 54.12 H new ATOM 0 HB THR A 79 -2.743 -14.556 -19.605 1.00 72.30 H new ATOM 0 HG1 THR A 79 -1.430 -15.725 -21.194 1.00 53.21 H new ATOM 0 HG21 THR A 79 -1.162 -13.363 -21.087 1.00 22.22 H new ATOM 0 HG22 THR A 79 -1.266 -12.602 -19.481 1.00 22.22 H new ATOM 0 HG23 THR A 79 0.135 -13.618 -19.896 1.00 22.22 H new ATOM 1211 N LYS A 80 -2.751 -14.313 -16.047 1.00 61.35 N ATOM 1212 CA LYS A 80 -3.523 -13.392 -15.222 1.00 2.22 C ATOM 1213 C LYS A 80 -2.593 -12.393 -14.553 1.00 73.41 C ATOM 1214 O LYS A 80 -2.902 -11.202 -14.472 1.00 21.42 O ATOM 1215 CB LYS A 80 -4.359 -14.138 -14.166 1.00 2.02 C ATOM 1216 CG LYS A 80 -5.184 -13.209 -13.267 1.00 21.24 C ATOM 1217 CD LYS A 80 -6.156 -12.350 -14.081 1.00 33.52 C ATOM 1218 CE LYS A 80 -6.521 -11.040 -13.384 1.00 30.34 C ATOM 1219 NZ LYS A 80 -7.248 -11.241 -12.104 1.00 71.14 N ATOM 0 H LYS A 80 -2.716 -15.272 -15.700 1.00 61.35 H new ATOM 0 HA LYS A 80 -4.217 -12.859 -15.872 1.00 2.22 H new ATOM 0 HB2 LYS A 80 -5.031 -14.832 -14.671 1.00 2.02 H new ATOM 0 HB3 LYS A 80 -3.693 -14.735 -13.543 1.00 2.02 H new ATOM 0 HG2 LYS A 80 -5.742 -13.804 -12.544 1.00 21.24 H new ATOM 0 HG3 LYS A 80 -4.514 -12.563 -12.700 1.00 21.24 H new ATOM 0 HD2 LYS A 80 -5.711 -12.128 -15.051 1.00 33.52 H new ATOM 0 HD3 LYS A 80 -7.065 -12.920 -14.270 1.00 33.52 H new ATOM 0 HE2 LYS A 80 -5.611 -10.472 -13.192 1.00 30.34 H new ATOM 0 HE3 LYS A 80 -7.136 -10.439 -14.053 1.00 30.34 H new ATOM 0 HZ1 LYS A 80 -7.527 -10.318 -11.714 1.00 71.14 H new ATOM 0 HZ2 LYS A 80 -8.098 -11.816 -12.274 1.00 71.14 H new ATOM 0 HZ3 LYS A 80 -6.629 -11.730 -11.426 1.00 71.14 H new ATOM 1233 N ASP A 81 -1.464 -12.900 -14.049 1.00 15.43 N ATOM 1234 CA ASP A 81 -0.436 -12.069 -13.403 1.00 70.42 C ATOM 1235 C ASP A 81 -0.965 -11.414 -12.117 1.00 63.31 C ATOM 1236 O ASP A 81 -0.205 -10.834 -11.340 1.00 51.31 O ATOM 1237 CB ASP A 81 0.060 -10.995 -14.389 1.00 15.35 C ATOM 1238 CG ASP A 81 1.235 -10.183 -13.865 1.00 71.41 C ATOM 1239 OD1 ASP A 81 2.372 -10.695 -13.894 1.00 53.32 O ATOM 1240 OD2 ASP A 81 1.029 -9.026 -13.432 1.00 21.22 O ATOM 0 H ASP A 81 -1.235 -13.894 -14.076 1.00 15.43 H new ATOM 0 HA ASP A 81 0.397 -12.714 -13.123 1.00 70.42 H new ATOM 0 HB2 ASP A 81 0.350 -11.477 -15.323 1.00 15.35 H new ATOM 0 HB3 ASP A 81 -0.763 -10.319 -14.621 1.00 15.35 H new ATOM 1245 N GLU A 82 -2.266 -11.550 -11.886 1.00 51.11 N ATOM 1246 CA GLU A 82 -2.961 -10.853 -10.815 1.00 23.24 C ATOM 1247 C GLU A 82 -4.062 -11.749 -10.233 1.00 62.30 C ATOM 1248 O GLU A 82 -5.239 -11.577 -10.542 1.00 24.41 O ATOM 1249 CB GLU A 82 -3.571 -9.568 -11.387 1.00 2.34 C ATOM 1250 CG GLU A 82 -4.448 -8.777 -10.420 1.00 51.23 C ATOM 1251 CD GLU A 82 -5.437 -7.887 -11.155 1.00 42.24 C ATOM 1252 OE1 GLU A 82 -6.547 -8.364 -11.480 1.00 21.23 O ATOM 1253 OE2 GLU A 82 -5.103 -6.718 -11.437 1.00 14.04 O ATOM 0 H GLU A 82 -2.871 -12.153 -12.443 1.00 51.11 H new ATOM 0 HA GLU A 82 -2.262 -10.607 -10.015 1.00 23.24 H new ATOM 0 HB2 GLU A 82 -2.762 -8.922 -11.730 1.00 2.34 H new ATOM 0 HB3 GLU A 82 -4.166 -9.826 -12.263 1.00 2.34 H new ATOM 0 HG2 GLU A 82 -4.990 -9.467 -9.774 1.00 51.23 H new ATOM 0 HG3 GLU A 82 -3.818 -8.165 -9.775 1.00 51.23 H new ATOM 1260 N PRO A 83 -3.698 -12.761 -9.439 1.00 41.20 N ATOM 1261 CA PRO A 83 -4.676 -13.614 -8.769 1.00 1.43 C ATOM 1262 C PRO A 83 -5.238 -12.943 -7.510 1.00 63.44 C ATOM 1263 O PRO A 83 -4.608 -12.950 -6.451 1.00 23.54 O ATOM 1264 CB PRO A 83 -3.866 -14.870 -8.430 1.00 4.40 C ATOM 1265 CG PRO A 83 -2.463 -14.381 -8.256 1.00 51.24 C ATOM 1266 CD PRO A 83 -2.313 -13.163 -9.142 1.00 42.23 C ATOM 0 HA PRO A 83 -5.551 -13.827 -9.383 1.00 1.43 H new ATOM 0 HB2 PRO A 83 -4.235 -15.346 -7.522 1.00 4.40 H new ATOM 0 HB3 PRO A 83 -3.931 -15.611 -9.227 1.00 4.40 H new ATOM 0 HG2 PRO A 83 -2.268 -14.128 -7.214 1.00 51.24 H new ATOM 0 HG3 PRO A 83 -1.747 -15.153 -8.536 1.00 51.24 H new ATOM 0 HD2 PRO A 83 -1.767 -12.367 -8.636 1.00 42.23 H new ATOM 0 HD3 PRO A 83 -1.762 -13.398 -10.053 1.00 42.23 H new ATOM 1274 N THR A 84 -6.408 -12.330 -7.644 1.00 62.44 N ATOM 1275 CA THR A 84 -7.064 -11.660 -6.528 1.00 64.50 C ATOM 1276 C THR A 84 -8.245 -12.492 -6.022 1.00 62.30 C ATOM 1277 O THR A 84 -8.634 -13.495 -6.647 1.00 22.53 O ATOM 1278 CB THR A 84 -7.541 -10.232 -6.922 1.00 74.30 C ATOM 1279 OG1 THR A 84 -8.146 -9.572 -5.800 1.00 4.04 O ATOM 1280 CG2 THR A 84 -8.535 -10.272 -8.077 1.00 32.20 C ATOM 0 H THR A 84 -6.925 -12.283 -8.522 1.00 62.44 H new ATOM 0 HA THR A 84 -6.332 -11.560 -5.726 1.00 64.50 H new ATOM 0 HB THR A 84 -6.659 -9.676 -7.240 1.00 74.30 H new ATOM 0 HG1 THR A 84 -8.438 -8.675 -6.066 1.00 4.04 H new ATOM 0 HG21 THR A 84 -8.846 -9.257 -8.325 1.00 32.20 H new ATOM 0 HG22 THR A 84 -8.064 -10.730 -8.947 1.00 32.20 H new ATOM 0 HG23 THR A 84 -9.407 -10.858 -7.786 1.00 32.20 H new ATOM 1288 N ALA A 85 -8.810 -12.068 -4.892 1.00 11.33 N ATOM 1289 CA ALA A 85 -9.926 -12.764 -4.262 1.00 53.25 C ATOM 1290 C ALA A 85 -11.042 -13.035 -5.266 1.00 55.44 C ATOM 1291 O ALA A 85 -11.743 -14.040 -5.167 1.00 52.34 O ATOM 1292 CB ALA A 85 -10.449 -11.954 -3.082 1.00 13.24 C ATOM 0 H ALA A 85 -8.506 -11.234 -4.390 1.00 11.33 H new ATOM 0 HA ALA A 85 -9.568 -13.726 -3.896 1.00 53.25 H new ATOM 0 HB1 ALA A 85 -11.282 -12.482 -2.619 1.00 13.24 H new ATOM 0 HB2 ALA A 85 -9.652 -11.821 -2.350 1.00 13.24 H new ATOM 0 HB3 ALA A 85 -10.787 -10.979 -3.432 1.00 13.24 H new ATOM 1298 N GLN A 86 -11.187 -12.139 -6.241 1.00 34.21 N ATOM 1299 CA GLN A 86 -12.170 -12.316 -7.306 1.00 11.51 C ATOM 1300 C GLN A 86 -11.894 -13.608 -8.068 1.00 50.40 C ATOM 1301 O GLN A 86 -12.765 -14.472 -8.183 1.00 71.31 O ATOM 1302 CB GLN A 86 -12.127 -11.133 -8.285 1.00 50.03 C ATOM 1303 CG GLN A 86 -13.024 -11.320 -9.507 1.00 41.24 C ATOM 1304 CD GLN A 86 -12.732 -10.325 -10.613 1.00 21.50 C ATOM 1305 OE1 GLN A 86 -13.322 -9.243 -10.668 1.00 41.43 O ATOM 1306 NE2 GLN A 86 -11.817 -10.683 -11.503 1.00 55.22 N ATOM 0 H GLN A 86 -10.636 -11.284 -6.315 1.00 34.21 H new ATOM 0 HA GLN A 86 -13.159 -12.366 -6.849 1.00 11.51 H new ATOM 0 HB2 GLN A 86 -12.427 -10.226 -7.760 1.00 50.03 H new ATOM 0 HB3 GLN A 86 -11.100 -10.984 -8.618 1.00 50.03 H new ATOM 0 HG2 GLN A 86 -12.897 -12.332 -9.893 1.00 41.24 H new ATOM 0 HG3 GLN A 86 -14.067 -11.223 -9.204 1.00 41.24 H new ATOM 0 HE21 GLN A 86 -11.352 -11.587 -11.421 1.00 55.22 H new ATOM 0 HE22 GLN A 86 -11.578 -10.054 -12.270 1.00 55.22 H new ATOM 1315 N ASP A 87 -10.667 -13.744 -8.560 1.00 24.32 N ATOM 1316 CA ASP A 87 -10.293 -14.895 -9.375 1.00 32.24 C ATOM 1317 C ASP A 87 -10.417 -16.168 -8.556 1.00 42.21 C ATOM 1318 O ASP A 87 -11.072 -17.127 -8.976 1.00 5.42 O ATOM 1319 CB ASP A 87 -8.856 -14.765 -9.901 1.00 62.23 C ATOM 1320 CG ASP A 87 -8.603 -13.464 -10.640 1.00 31.03 C ATOM 1321 OD1 ASP A 87 -8.999 -13.336 -11.817 1.00 14.52 O ATOM 1322 OD2 ASP A 87 -7.990 -12.558 -10.044 1.00 21.13 O ATOM 0 H ASP A 87 -9.915 -13.072 -8.409 1.00 24.32 H new ATOM 0 HA ASP A 87 -10.969 -14.935 -10.229 1.00 32.24 H new ATOM 0 HB2 ASP A 87 -8.162 -14.840 -9.064 1.00 62.23 H new ATOM 0 HB3 ASP A 87 -8.643 -15.601 -10.568 1.00 62.23 H new ATOM 1327 N ILE A 88 -9.802 -16.159 -7.370 1.00 41.24 N ATOM 1328 CA ILE A 88 -9.815 -17.331 -6.498 1.00 12.41 C ATOM 1329 C ILE A 88 -11.250 -17.740 -6.172 1.00 62.53 C ATOM 1330 O ILE A 88 -11.580 -18.922 -6.195 1.00 0.14 O ATOM 1331 CB ILE A 88 -9.005 -17.109 -5.180 1.00 4.11 C ATOM 1332 CG1 ILE A 88 -7.486 -17.140 -5.454 1.00 4.15 C ATOM 1333 CG2 ILE A 88 -9.372 -18.156 -4.125 1.00 3.10 C ATOM 1334 CD1 ILE A 88 -6.962 -15.925 -6.186 1.00 42.04 C ATOM 0 H ILE A 88 -9.293 -15.358 -6.996 1.00 41.24 H new ATOM 0 HA ILE A 88 -9.324 -18.136 -7.045 1.00 12.41 H new ATOM 0 HB ILE A 88 -9.268 -16.124 -4.794 1.00 4.11 H new ATOM 0 HG12 ILE A 88 -6.959 -17.233 -4.504 1.00 4.15 H new ATOM 0 HG13 ILE A 88 -7.252 -18.030 -6.037 1.00 4.15 H new ATOM 0 HG21 ILE A 88 -8.793 -17.977 -3.219 1.00 3.10 H new ATOM 0 HG22 ILE A 88 -10.435 -18.085 -3.897 1.00 3.10 H new ATOM 0 HG23 ILE A 88 -9.149 -19.152 -4.508 1.00 3.10 H new ATOM 0 HD11 ILE A 88 -5.888 -16.027 -6.338 1.00 42.04 H new ATOM 0 HD12 ILE A 88 -7.459 -15.840 -7.152 1.00 42.04 H new ATOM 0 HD13 ILE A 88 -7.161 -15.031 -5.596 1.00 42.04 H new ATOM 1346 N SER A 89 -12.106 -16.757 -5.902 1.00 54.03 N ATOM 1347 CA SER A 89 -13.496 -17.028 -5.540 1.00 31.54 C ATOM 1348 C SER A 89 -14.249 -17.681 -6.704 1.00 63.41 C ATOM 1349 O SER A 89 -14.886 -18.718 -6.526 1.00 50.42 O ATOM 1350 CB SER A 89 -14.204 -15.737 -5.105 1.00 55.52 C ATOM 1351 OG SER A 89 -15.497 -16.008 -4.587 1.00 41.44 O ATOM 0 H SER A 89 -11.862 -15.767 -5.927 1.00 54.03 H new ATOM 0 HA SER A 89 -13.494 -17.724 -4.701 1.00 31.54 H new ATOM 0 HB2 SER A 89 -13.606 -15.229 -4.349 1.00 55.52 H new ATOM 0 HB3 SER A 89 -14.285 -15.060 -5.955 1.00 55.52 H new ATOM 0 HG SER A 89 -15.924 -15.168 -4.317 1.00 41.44 H new ATOM 1357 N ARG A 90 -14.157 -17.086 -7.895 1.00 23.34 N ATOM 1358 CA ARG A 90 -14.849 -17.612 -9.077 1.00 54.03 C ATOM 1359 C ARG A 90 -14.381 -19.035 -9.386 1.00 24.50 C ATOM 1360 O ARG A 90 -15.193 -19.963 -9.501 1.00 24.11 O ATOM 1361 CB ARG A 90 -14.616 -16.701 -10.294 1.00 2.20 C ATOM 1362 CG ARG A 90 -15.588 -15.521 -10.415 1.00 50.34 C ATOM 1363 CD ARG A 90 -15.649 -14.663 -9.153 1.00 62.12 C ATOM 1364 NE ARG A 90 -16.149 -13.314 -9.437 1.00 24.24 N ATOM 1365 CZ ARG A 90 -16.725 -12.509 -8.537 1.00 75.25 C ATOM 1366 NH1 ARG A 90 -16.979 -12.939 -7.308 1.00 2.51 N ATOM 1367 NH2 ARG A 90 -17.068 -11.276 -8.880 1.00 40.20 N ATOM 0 H ARG A 90 -13.612 -16.241 -8.068 1.00 23.34 H new ATOM 0 HA ARG A 90 -15.917 -17.636 -8.861 1.00 54.03 H new ATOM 0 HB2 ARG A 90 -13.599 -16.311 -10.248 1.00 2.20 H new ATOM 0 HB3 ARG A 90 -14.686 -17.304 -11.199 1.00 2.20 H new ATOM 0 HG2 ARG A 90 -15.289 -14.897 -11.257 1.00 50.34 H new ATOM 0 HG3 ARG A 90 -16.585 -15.901 -10.637 1.00 50.34 H new ATOM 0 HD2 ARG A 90 -16.295 -15.143 -8.418 1.00 62.12 H new ATOM 0 HD3 ARG A 90 -14.655 -14.597 -8.710 1.00 62.12 H new ATOM 0 HE ARG A 90 -16.050 -12.964 -10.390 1.00 24.24 H new ATOM 0 HH11 ARG A 90 -16.735 -13.893 -7.041 1.00 2.51 H new ATOM 0 HH12 ARG A 90 -17.419 -12.316 -6.630 1.00 2.51 H new ATOM 0 HH21 ARG A 90 -16.893 -10.943 -9.828 1.00 40.20 H new ATOM 0 HH22 ARG A 90 -17.507 -10.660 -8.196 1.00 40.20 H new ATOM 1381 N VAL A 91 -13.067 -19.200 -9.510 1.00 13.22 N ATOM 1382 CA VAL A 91 -12.473 -20.508 -9.768 1.00 73.33 C ATOM 1383 C VAL A 91 -12.931 -21.514 -8.708 1.00 11.43 C ATOM 1384 O VAL A 91 -13.404 -22.615 -9.034 1.00 41.13 O ATOM 1385 CB VAL A 91 -10.922 -20.417 -9.795 1.00 22.24 C ATOM 1386 CG1 VAL A 91 -10.282 -21.791 -9.969 1.00 73.11 C ATOM 1387 CG2 VAL A 91 -10.464 -19.470 -10.904 1.00 44.15 C ATOM 0 H VAL A 91 -12.391 -18.440 -9.436 1.00 13.22 H new ATOM 0 HA VAL A 91 -12.809 -20.850 -10.747 1.00 73.33 H new ATOM 0 HB VAL A 91 -10.596 -20.020 -8.834 1.00 22.24 H new ATOM 0 HG11 VAL A 91 -9.197 -21.688 -9.983 1.00 73.11 H new ATOM 0 HG12 VAL A 91 -10.574 -22.436 -9.140 1.00 73.11 H new ATOM 0 HG13 VAL A 91 -10.617 -22.232 -10.908 1.00 73.11 H new ATOM 0 HG21 VAL A 91 -9.375 -19.417 -10.910 1.00 44.15 H new ATOM 0 HG22 VAL A 91 -10.815 -19.841 -11.867 1.00 44.15 H new ATOM 0 HG23 VAL A 91 -10.875 -18.476 -10.727 1.00 44.15 H new ATOM 1397 N ALA A 92 -12.826 -21.107 -7.443 1.00 14.51 N ATOM 1398 CA ALA A 92 -13.255 -21.939 -6.323 1.00 51.41 C ATOM 1399 C ALA A 92 -14.733 -22.285 -6.443 1.00 45.24 C ATOM 1400 O ALA A 92 -15.137 -23.401 -6.138 1.00 41.04 O ATOM 1401 CB ALA A 92 -12.978 -21.248 -4.992 1.00 45.23 C ATOM 0 H ALA A 92 -12.445 -20.201 -7.169 1.00 14.51 H new ATOM 0 HA ALA A 92 -12.679 -22.864 -6.354 1.00 51.41 H new ATOM 0 HB1 ALA A 92 -13.307 -21.889 -4.174 1.00 45.23 H new ATOM 0 HB2 ALA A 92 -11.909 -21.057 -4.896 1.00 45.23 H new ATOM 0 HB3 ALA A 92 -13.520 -20.303 -4.953 1.00 45.23 H new ATOM 1407 N SER A 93 -15.532 -21.328 -6.913 1.00 15.05 N ATOM 1408 CA SER A 93 -16.955 -21.545 -7.094 1.00 62.23 C ATOM 1409 C SER A 93 -17.191 -22.628 -8.141 1.00 73.41 C ATOM 1410 O SER A 93 -18.077 -23.468 -7.986 1.00 13.21 O ATOM 1411 CB SER A 93 -17.644 -20.242 -7.513 1.00 70.15 C ATOM 1412 OG SER A 93 -17.471 -19.228 -6.535 1.00 11.51 O ATOM 0 H SER A 93 -15.211 -20.396 -7.174 1.00 15.05 H new ATOM 0 HA SER A 93 -17.382 -21.874 -6.146 1.00 62.23 H new ATOM 0 HB2 SER A 93 -17.238 -19.904 -8.466 1.00 70.15 H new ATOM 0 HB3 SER A 93 -18.708 -20.424 -7.667 1.00 70.15 H new ATOM 0 HG SER A 93 -16.592 -18.810 -6.649 1.00 11.51 H new ATOM 1418 N ARG A 94 -16.382 -22.610 -9.202 1.00 41.15 N ATOM 1419 CA ARG A 94 -16.507 -23.608 -10.263 1.00 3.43 C ATOM 1420 C ARG A 94 -16.196 -24.997 -9.725 1.00 32.51 C ATOM 1421 O ARG A 94 -16.997 -25.910 -9.864 1.00 40.31 O ATOM 1422 CB ARG A 94 -15.540 -23.329 -11.414 1.00 52.53 C ATOM 1423 CG ARG A 94 -15.497 -21.885 -11.884 1.00 61.23 C ATOM 1424 CD ARG A 94 -16.878 -21.351 -12.237 1.00 13.22 C ATOM 1425 NE ARG A 94 -16.820 -19.971 -12.716 1.00 3.54 N ATOM 1426 CZ ARG A 94 -17.781 -19.388 -13.428 1.00 23.02 C ATOM 1427 NH1 ARG A 94 -18.884 -20.056 -13.740 1.00 3.12 N ATOM 1428 NH2 ARG A 94 -17.636 -18.133 -13.826 1.00 21.02 N ATOM 0 H ARG A 94 -15.642 -21.923 -9.348 1.00 41.15 H new ATOM 0 HA ARG A 94 -17.533 -23.555 -10.626 1.00 3.43 H new ATOM 0 HB2 ARG A 94 -14.537 -23.624 -11.105 1.00 52.53 H new ATOM 0 HB3 ARG A 94 -15.813 -23.962 -12.259 1.00 52.53 H new ATOM 0 HG2 ARG A 94 -15.059 -21.264 -11.103 1.00 61.23 H new ATOM 0 HG3 ARG A 94 -14.847 -21.808 -12.755 1.00 61.23 H new ATOM 0 HD2 ARG A 94 -17.327 -21.983 -13.003 1.00 13.22 H new ATOM 0 HD3 ARG A 94 -17.524 -21.405 -11.360 1.00 13.22 H new ATOM 0 HE ARG A 94 -15.991 -19.421 -12.490 1.00 3.54 H new ATOM 0 HH11 ARG A 94 -18.999 -21.022 -13.434 1.00 3.12 H new ATOM 0 HH12 ARG A 94 -19.617 -19.603 -14.286 1.00 3.12 H new ATOM 0 HH21 ARG A 94 -16.790 -17.617 -13.587 1.00 21.02 H new ATOM 0 HH22 ARG A 94 -18.371 -17.683 -14.372 1.00 21.02 H new ATOM 1442 N LEU A 95 -15.024 -25.142 -9.108 1.00 55.01 N ATOM 1443 CA LEU A 95 -14.580 -26.445 -8.597 1.00 15.52 C ATOM 1444 C LEU A 95 -15.418 -26.903 -7.397 1.00 70.41 C ATOM 1445 O LEU A 95 -15.573 -28.102 -7.162 1.00 61.13 O ATOM 1446 CB LEU A 95 -13.071 -26.441 -8.283 1.00 62.31 C ATOM 1447 CG LEU A 95 -12.546 -25.284 -7.403 1.00 10.41 C ATOM 1448 CD1 LEU A 95 -12.283 -25.737 -5.969 1.00 12.14 C ATOM 1449 CD2 LEU A 95 -11.279 -24.681 -8.006 1.00 73.21 C ATOM 0 H LEU A 95 -14.365 -24.380 -8.949 1.00 55.01 H new ATOM 0 HA LEU A 95 -14.741 -27.178 -9.388 1.00 15.52 H new ATOM 0 HB2 LEU A 95 -12.824 -27.382 -7.791 1.00 62.31 H new ATOM 0 HB3 LEU A 95 -12.527 -26.423 -9.228 1.00 62.31 H new ATOM 0 HG LEU A 95 -13.323 -24.520 -7.374 1.00 10.41 H new ATOM 0 HD11 LEU A 95 -11.915 -24.895 -5.383 1.00 12.14 H new ATOM 0 HD12 LEU A 95 -13.209 -26.108 -5.529 1.00 12.14 H new ATOM 0 HD13 LEU A 95 -11.537 -26.532 -5.970 1.00 12.14 H new ATOM 0 HD21 LEU A 95 -10.925 -23.868 -7.372 1.00 73.21 H new ATOM 0 HD22 LEU A 95 -10.508 -25.449 -8.076 1.00 73.21 H new ATOM 0 HD23 LEU A 95 -11.498 -24.295 -9.002 1.00 73.21 H new ATOM 1461 N ALA A 96 -15.948 -25.953 -6.634 1.00 40.45 N ATOM 1462 CA ALA A 96 -16.827 -26.278 -5.510 1.00 52.43 C ATOM 1463 C ALA A 96 -18.181 -26.772 -6.016 1.00 51.03 C ATOM 1464 O ALA A 96 -18.702 -27.784 -5.543 1.00 52.32 O ATOM 1465 CB ALA A 96 -17.012 -25.071 -4.594 1.00 5.15 C ATOM 0 H ALA A 96 -15.787 -24.955 -6.770 1.00 40.45 H new ATOM 0 HA ALA A 96 -16.357 -27.074 -4.933 1.00 52.43 H new ATOM 0 HB1 ALA A 96 -17.669 -25.339 -3.767 1.00 5.15 H new ATOM 0 HB2 ALA A 96 -16.044 -24.760 -4.202 1.00 5.15 H new ATOM 0 HB3 ALA A 96 -17.455 -24.251 -5.158 1.00 5.15 H new ATOM 1471 N ALA A 97 -18.748 -26.045 -6.976 1.00 43.02 N ATOM 1472 CA ALA A 97 -20.027 -26.416 -7.582 1.00 4.04 C ATOM 1473 C ALA A 97 -19.836 -27.511 -8.630 1.00 60.22 C ATOM 1474 O ALA A 97 -20.785 -28.190 -9.016 1.00 2.12 O ATOM 1475 CB ALA A 97 -20.692 -25.193 -8.204 1.00 52.53 C ATOM 0 H ALA A 97 -18.340 -25.190 -7.354 1.00 43.02 H new ATOM 0 HA ALA A 97 -20.676 -26.807 -6.798 1.00 4.04 H new ATOM 0 HB1 ALA A 97 -21.643 -25.484 -8.651 1.00 52.53 H new ATOM 0 HB2 ALA A 97 -20.868 -24.443 -7.433 1.00 52.53 H new ATOM 0 HB3 ALA A 97 -20.041 -24.777 -8.973 1.00 52.53 H new ATOM 1481 N GLY A 98 -18.590 -27.687 -9.061 1.00 10.24 N ATOM 1482 CA GLY A 98 -18.249 -28.646 -10.104 1.00 71.13 C ATOM 1483 C GLY A 98 -18.241 -30.078 -9.619 1.00 75.14 C ATOM 1484 O GLY A 98 -17.462 -30.889 -10.122 1.00 24.30 O ATOM 0 H GLY A 98 -17.790 -27.169 -8.697 1.00 10.24 H new ATOM 0 HA2 GLY A 98 -18.962 -28.551 -10.923 1.00 71.13 H new ATOM 0 HA3 GLY A 98 -17.266 -28.400 -10.507 1.00 71.13 H new ATOM 1488 N GLY A 99 -19.090 -30.383 -8.635 1.00 44.44 N ATOM 1489 CA GLY A 99 -19.177 -31.727 -8.096 1.00 11.31 C ATOM 1490 C GLY A 99 -19.153 -32.779 -9.186 1.00 2.41 C ATOM 1491 O GLY A 99 -20.059 -32.845 -10.019 1.00 24.34 O ATOM 0 H GLY A 99 -19.724 -29.712 -8.200 1.00 44.44 H new ATOM 0 HA2 GLY A 99 -18.347 -31.897 -7.410 1.00 11.31 H new ATOM 0 HA3 GLY A 99 -20.095 -31.826 -7.517 1.00 11.31 H new ATOM 1495 N TRP A 100 -18.086 -33.567 -9.200 1.00 33.12 N ATOM 1496 CA TRP A 100 -17.889 -34.617 -10.193 1.00 54.53 C ATOM 1497 C TRP A 100 -18.998 -35.692 -10.081 1.00 63.43 C ATOM 1498 O TRP A 100 -19.892 -35.539 -9.243 1.00 14.14 O ATOM 1499 CB TRP A 100 -16.448 -35.138 -10.063 1.00 53.11 C ATOM 1500 CG TRP A 100 -15.476 -34.294 -10.839 1.00 53.11 C ATOM 1501 CD1 TRP A 100 -15.238 -32.953 -10.685 1.00 62.25 C ATOM 1502 CD2 TRP A 100 -14.635 -34.728 -11.913 1.00 74.21 C ATOM 1503 NE1 TRP A 100 -14.296 -32.538 -11.593 1.00 50.24 N ATOM 1504 CE2 TRP A 100 -13.911 -33.608 -12.357 1.00 71.24 C ATOM 1505 CE3 TRP A 100 -14.423 -35.959 -12.543 1.00 61.55 C ATOM 1506 CZ2 TRP A 100 -12.989 -33.681 -13.398 1.00 14.04 C ATOM 1507 CZ3 TRP A 100 -13.506 -36.030 -13.577 1.00 44.10 C ATOM 1508 CH2 TRP A 100 -12.800 -34.897 -13.996 1.00 25.43 C ATOM 0 H TRP A 100 -17.329 -33.496 -8.520 1.00 33.12 H new ATOM 0 HA TRP A 100 -17.993 -34.237 -11.209 1.00 54.53 H new ATOM 0 HB2 TRP A 100 -16.160 -35.151 -9.012 1.00 53.11 H new ATOM 0 HB3 TRP A 100 -16.400 -36.167 -10.419 1.00 53.11 H new ATOM 0 HD1 TRP A 100 -15.720 -32.317 -9.957 1.00 62.25 H new ATOM 0 HE1 TRP A 100 -13.940 -31.586 -11.684 1.00 50.24 H new ATOM 0 HE3 TRP A 100 -14.965 -36.838 -12.228 1.00 61.55 H new ATOM 0 HZ2 TRP A 100 -12.442 -32.808 -13.722 1.00 14.04 H new ATOM 0 HZ3 TRP A 100 -13.332 -36.976 -14.069 1.00 44.10 H new ATOM 0 HH2 TRP A 100 -12.092 -34.984 -14.807 1.00 25.43 H new ATOM 1519 N PRO A 101 -18.930 -36.837 -10.824 1.00 54.45 N ATOM 1520 CA PRO A 101 -20.096 -37.537 -11.351 1.00 61.44 C ATOM 1521 C PRO A 101 -21.438 -36.818 -11.153 1.00 74.42 C ATOM 1522 O PRO A 101 -21.526 -35.596 -11.306 1.00 34.13 O ATOM 1523 CB PRO A 101 -19.953 -38.849 -10.584 1.00 45.13 C ATOM 1524 CG PRO A 101 -18.456 -39.085 -10.579 1.00 52.13 C ATOM 1525 CD PRO A 101 -17.802 -37.757 -10.966 1.00 25.12 C ATOM 0 HA PRO A 101 -20.117 -37.634 -12.436 1.00 61.44 H new ATOM 0 HB2 PRO A 101 -20.352 -38.770 -9.573 1.00 45.13 H new ATOM 0 HB3 PRO A 101 -20.487 -39.663 -11.074 1.00 45.13 H new ATOM 0 HG2 PRO A 101 -18.119 -39.411 -9.595 1.00 52.13 H new ATOM 0 HG3 PRO A 101 -18.185 -39.870 -11.285 1.00 52.13 H new ATOM 0 HD2 PRO A 101 -16.973 -37.498 -10.307 1.00 25.12 H new ATOM 0 HD3 PRO A 101 -17.408 -37.772 -11.982 1.00 25.12 H new ATOM 1533 N LEU A 102 -22.493 -37.568 -10.876 1.00 10.31 N ATOM 1534 CA LEU A 102 -23.829 -36.992 -10.815 1.00 74.21 C ATOM 1535 C LEU A 102 -24.032 -36.225 -9.512 1.00 33.31 C ATOM 1536 O LEU A 102 -24.476 -36.784 -8.510 1.00 3.42 O ATOM 1537 CB LEU A 102 -24.890 -38.088 -10.977 1.00 54.21 C ATOM 1538 CG LEU A 102 -24.795 -38.896 -12.283 1.00 73.13 C ATOM 1539 CD1 LEU A 102 -25.851 -39.997 -12.313 1.00 1.32 C ATOM 1540 CD2 LEU A 102 -24.928 -37.979 -13.500 1.00 12.44 C ATOM 0 H LEU A 102 -22.452 -38.570 -10.691 1.00 10.31 H new ATOM 0 HA LEU A 102 -23.937 -36.285 -11.638 1.00 74.21 H new ATOM 0 HB2 LEU A 102 -24.812 -38.776 -10.135 1.00 54.21 H new ATOM 0 HB3 LEU A 102 -25.877 -37.628 -10.922 1.00 54.21 H new ATOM 0 HG LEU A 102 -23.813 -39.367 -12.322 1.00 73.13 H new ATOM 0 HD11 LEU A 102 -25.767 -40.557 -13.245 1.00 1.32 H new ATOM 0 HD12 LEU A 102 -25.698 -40.671 -11.470 1.00 1.32 H new ATOM 0 HD13 LEU A 102 -26.843 -39.551 -12.246 1.00 1.32 H new ATOM 0 HD21 LEU A 102 -24.858 -38.572 -14.412 1.00 12.44 H new ATOM 0 HD22 LEU A 102 -25.893 -37.472 -13.470 1.00 12.44 H new ATOM 0 HD23 LEU A 102 -24.128 -37.238 -13.487 1.00 12.44 H new ATOM 1552 N ALA A 103 -23.674 -34.943 -9.529 1.00 35.13 N ATOM 1553 CA ALA A 103 -23.844 -34.069 -8.368 1.00 1.22 C ATOM 1554 C ALA A 103 -24.951 -33.045 -8.608 1.00 44.52 C ATOM 1555 O ALA A 103 -25.213 -32.182 -7.767 1.00 71.31 O ATOM 1556 CB ALA A 103 -22.530 -33.372 -8.039 1.00 34.24 C ATOM 0 H ALA A 103 -23.261 -34.483 -10.340 1.00 35.13 H new ATOM 0 HA ALA A 103 -24.138 -34.684 -7.517 1.00 1.22 H new ATOM 0 HB1 ALA A 103 -22.669 -32.724 -7.173 1.00 34.24 H new ATOM 0 HB2 ALA A 103 -21.768 -34.119 -7.815 1.00 34.24 H new ATOM 0 HB3 ALA A 103 -22.212 -32.774 -8.893 1.00 34.24 H new ATOM 1562 N GLY A 104 -25.606 -33.155 -9.757 1.00 1.03 N ATOM 1563 CA GLY A 104 -26.669 -32.229 -10.111 1.00 34.40 C ATOM 1564 C GLY A 104 -26.153 -31.054 -10.918 1.00 2.44 C ATOM 1565 O GLY A 104 -26.873 -30.077 -11.141 1.00 60.53 O ATOM 0 H GLY A 104 -25.419 -33.874 -10.456 1.00 1.03 H new ATOM 0 HA2 GLY A 104 -27.432 -32.755 -10.684 1.00 34.40 H new ATOM 0 HA3 GLY A 104 -27.148 -31.863 -9.203 1.00 34.40 H new ATOM 1569 N VAL A 105 -24.902 -31.148 -11.355 1.00 75.25 N ATOM 1570 CA VAL A 105 -24.260 -30.105 -12.117 1.00 23.35 C ATOM 1571 C VAL A 105 -24.918 -29.921 -13.491 1.00 14.03 C ATOM 1572 O VAL A 105 -25.361 -30.888 -14.114 1.00 43.04 O ATOM 1573 CB VAL A 105 -22.764 -30.440 -12.283 1.00 43.11 C ATOM 1574 CG1 VAL A 105 -22.061 -30.456 -10.928 1.00 54.52 C ATOM 1575 CG2 VAL A 105 -22.571 -31.773 -13.013 1.00 71.45 C ATOM 0 H VAL A 105 -24.308 -31.960 -11.185 1.00 75.25 H new ATOM 0 HA VAL A 105 -24.370 -29.166 -11.574 1.00 23.35 H new ATOM 0 HB VAL A 105 -22.312 -29.659 -12.894 1.00 43.11 H new ATOM 0 HG11 VAL A 105 -21.007 -30.694 -11.068 1.00 54.52 H new ATOM 0 HG12 VAL A 105 -22.152 -29.476 -10.459 1.00 54.52 H new ATOM 0 HG13 VAL A 105 -22.521 -31.209 -10.288 1.00 54.52 H new ATOM 0 HG21 VAL A 105 -21.506 -31.981 -13.115 1.00 71.45 H new ATOM 0 HG22 VAL A 105 -23.044 -32.572 -12.442 1.00 71.45 H new ATOM 0 HG23 VAL A 105 -23.025 -31.715 -14.002 1.00 71.45 H new ATOM 1585 N ASP A 106 -24.993 -28.671 -13.947 1.00 34.34 N ATOM 1586 CA ASP A 106 -25.573 -28.356 -15.254 1.00 34.40 C ATOM 1587 C ASP A 106 -24.499 -28.413 -16.335 1.00 44.13 C ATOM 1588 O ASP A 106 -23.438 -27.798 -16.199 1.00 12.44 O ATOM 1589 CB ASP A 106 -26.215 -26.963 -15.246 1.00 3.44 C ATOM 1590 CG ASP A 106 -27.386 -26.844 -14.281 1.00 44.43 C ATOM 1591 OD1 ASP A 106 -28.526 -27.173 -14.671 1.00 61.24 O ATOM 1592 OD2 ASP A 106 -27.171 -26.407 -13.129 1.00 25.55 O ATOM 0 H ASP A 106 -24.659 -27.858 -13.430 1.00 34.34 H new ATOM 0 HA ASP A 106 -26.343 -29.097 -15.468 1.00 34.40 H new ATOM 0 HB2 ASP A 106 -25.459 -26.224 -14.981 1.00 3.44 H new ATOM 0 HB3 ASP A 106 -26.557 -26.723 -16.253 1.00 3.44 H new ATOM 1597 N SER A 107 -24.789 -29.126 -17.415 1.00 25.45 N ATOM 1598 CA SER A 107 -23.831 -29.307 -18.502 1.00 20.22 C ATOM 1599 C SER A 107 -23.881 -28.133 -19.487 1.00 62.13 C ATOM 1600 O SER A 107 -23.189 -28.139 -20.506 1.00 71.25 O ATOM 1601 CB SER A 107 -24.118 -30.633 -19.223 1.00 31.03 C ATOM 1602 OG SER A 107 -24.225 -31.703 -18.293 1.00 63.21 O ATOM 0 H SER A 107 -25.684 -29.591 -17.564 1.00 25.45 H new ATOM 0 HA SER A 107 -22.826 -29.337 -18.081 1.00 20.22 H new ATOM 0 HB2 SER A 107 -25.043 -30.548 -19.794 1.00 31.03 H new ATOM 0 HB3 SER A 107 -23.321 -30.844 -19.936 1.00 31.03 H new ATOM 0 HG SER A 107 -24.410 -32.537 -18.774 1.00 63.21 H new ATOM 1608 N THR A 108 -24.714 -27.134 -19.186 1.00 52.43 N ATOM 1609 CA THR A 108 -24.770 -25.911 -19.986 1.00 65.30 C ATOM 1610 C THR A 108 -24.297 -24.702 -19.170 1.00 75.14 C ATOM 1611 O THR A 108 -23.749 -23.743 -19.722 1.00 15.14 O ATOM 1612 CB THR A 108 -26.200 -25.646 -20.527 1.00 33.03 C ATOM 1613 OG1 THR A 108 -26.175 -24.581 -21.490 1.00 25.35 O ATOM 1614 CG2 THR A 108 -27.169 -25.293 -19.400 1.00 32.14 C ATOM 0 H THR A 108 -25.358 -27.149 -18.395 1.00 52.43 H new ATOM 0 HA THR A 108 -24.102 -26.054 -20.835 1.00 65.30 H new ATOM 0 HB THR A 108 -26.548 -26.563 -21.002 1.00 33.03 H new ATOM 0 HG1 THR A 108 -25.447 -24.734 -22.128 1.00 25.35 H new ATOM 0 HG21 THR A 108 -28.161 -25.114 -19.816 1.00 32.14 H new ATOM 0 HG22 THR A 108 -27.217 -26.118 -18.690 1.00 32.14 H new ATOM 0 HG23 THR A 108 -26.822 -24.395 -18.890 1.00 32.14 H new ATOM 1622 N ALA A 109 -24.465 -24.772 -17.847 1.00 54.00 N ATOM 1623 CA ALA A 109 -24.169 -23.637 -16.968 1.00 24.21 C ATOM 1624 C ALA A 109 -22.671 -23.473 -16.736 1.00 11.04 C ATOM 1625 O ALA A 109 -22.246 -22.664 -15.908 1.00 23.33 O ATOM 1626 CB ALA A 109 -24.909 -23.784 -15.642 1.00 14.02 C ATOM 0 H ALA A 109 -24.804 -25.602 -17.361 1.00 54.00 H new ATOM 0 HA ALA A 109 -24.519 -22.733 -17.467 1.00 24.21 H new ATOM 0 HB1 ALA A 109 -24.679 -22.933 -15.001 1.00 14.02 H new ATOM 0 HB2 ALA A 109 -25.983 -23.819 -15.826 1.00 14.02 H new ATOM 0 HB3 ALA A 109 -24.595 -24.705 -15.150 1.00 14.02 H new ATOM 1632 N LEU A 110 -21.873 -24.241 -17.466 1.00 1.22 N ATOM 1633 CA LEU A 110 -20.423 -24.105 -17.413 1.00 62.21 C ATOM 1634 C LEU A 110 -19.980 -22.974 -18.344 1.00 32.34 C ATOM 1635 O LEU A 110 -18.811 -22.589 -18.377 1.00 74.23 O ATOM 1636 CB LEU A 110 -19.743 -25.434 -17.793 1.00 35.40 C ATOM 1637 CG LEU A 110 -19.598 -25.726 -19.301 1.00 12.11 C ATOM 1638 CD1 LEU A 110 -18.744 -26.971 -19.525 1.00 12.33 C ATOM 1639 CD2 LEU A 110 -20.963 -25.894 -19.965 1.00 71.20 C ATOM 0 H LEU A 110 -22.205 -24.965 -18.103 1.00 1.22 H new ATOM 0 HA LEU A 110 -20.121 -23.857 -16.395 1.00 62.21 H new ATOM 0 HB2 LEU A 110 -18.749 -25.449 -17.345 1.00 35.40 H new ATOM 0 HB3 LEU A 110 -20.309 -26.248 -17.341 1.00 35.40 H new ATOM 0 HG LEU A 110 -19.101 -24.871 -19.760 1.00 12.11 H new ATOM 0 HD11 LEU A 110 -18.652 -27.162 -20.594 1.00 12.33 H new ATOM 0 HD12 LEU A 110 -17.753 -26.814 -19.098 1.00 12.33 H new ATOM 0 HD13 LEU A 110 -19.216 -27.827 -19.043 1.00 12.33 H new ATOM 0 HD21 LEU A 110 -20.828 -26.099 -21.027 1.00 71.20 H new ATOM 0 HD22 LEU A 110 -21.494 -26.724 -19.500 1.00 71.20 H new ATOM 0 HD23 LEU A 110 -21.542 -24.979 -19.843 1.00 71.20 H new ATOM 1651 N ASN A 111 -20.944 -22.452 -19.100 1.00 2.03 N ATOM 1652 CA ASN A 111 -20.716 -21.348 -20.025 1.00 51.20 C ATOM 1653 C ASN A 111 -21.530 -20.128 -19.593 1.00 3.43 C ATOM 1654 O ASN A 111 -22.747 -20.087 -19.779 1.00 20.31 O ATOM 1655 CB ASN A 111 -21.092 -21.774 -21.453 1.00 51.14 C ATOM 1656 CG ASN A 111 -21.137 -20.612 -22.433 1.00 45.04 C ATOM 1657 OD1 ASN A 111 -22.317 -20.038 -22.613 1.00 64.14 O flip ATOM 1658 ND2 ASN A 111 -20.128 -20.244 -23.032 1.00 71.21 N flip ATOM 0 H ASN A 111 -21.908 -22.785 -19.087 1.00 2.03 H new ATOM 0 HA ASN A 111 -19.659 -21.080 -20.011 1.00 51.20 H new ATOM 0 HB2 ASN A 111 -20.371 -22.511 -21.807 1.00 51.14 H new ATOM 0 HB3 ASN A 111 -22.066 -22.263 -21.435 1.00 51.14 H new ATOM 0 HD21 ASN A 111 -19.237 -20.712 -22.866 1.00 71.21 H new ATOM 0 HD22 ASN A 111 -20.182 -19.471 -23.695 1.00 71.21 H new ATOM 1665 N ALA A 112 -20.847 -19.162 -18.983 1.00 65.35 N ATOM 1666 CA ALA A 112 -21.467 -17.921 -18.520 1.00 3.51 C ATOM 1667 C ALA A 112 -22.545 -18.205 -17.468 1.00 55.23 C ATOM 1668 O ALA A 112 -23.750 -18.066 -17.771 1.00 20.44 O ATOM 1669 CB ALA A 112 -22.027 -17.121 -19.697 1.00 24.13 C ATOM 1670 OXT ALA A 112 -22.176 -18.586 -16.339 1.00 0.00 O ATOM 0 H ALA A 112 -19.846 -19.217 -18.795 1.00 65.35 H new ATOM 0 HA ALA A 112 -20.698 -17.313 -18.044 1.00 3.51 H new ATOM 0 HB1 ALA A 112 -22.483 -16.202 -19.328 1.00 24.13 H new ATOM 0 HB2 ALA A 112 -21.219 -16.874 -20.386 1.00 24.13 H new ATOM 0 HB3 ALA A 112 -22.778 -17.716 -20.217 1.00 24.13 H new TER 1676 ALA A 112