USER MOD reduce.3.24.130724 H: found=0, std=0, add=857, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 857 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 45 MET CE :methyl -164:sc= -0.232 (180deg=-0.519) USER MOD Set 1.2: A 53 HIS : no HD1:sc= 0.348 K(o=0.12,f=-3!) USER MOD Set 2.1: A 37 TYR OH : rot 30:sc= 0.337 USER MOD Set 2.2: A 40 GLN : amide:sc= 0.458 X(o=0.8,f=0.58) USER MOD Set 3.1: A 32 GLN : amide:sc= 0.0836 X(o=0.16,f=-0.073) USER MOD Set 3.2: A 88 SER OG : rot 180:sc= 0.0781 USER MOD Set 4.1: A 21 GLN : amide:sc= 0 K(o=-0.15,f=-0.7) USER MOD Set 4.2: A 34 MET CE :methyl 162:sc= -0.151 (180deg=-0.265) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 THR OG1 : rot -160:sc= -1.7 USER MOD Single : A 4 GLN : amide:sc= 0 X(o=0,f=-0.46) USER MOD Single : A 8 GLN :FLIP amide:sc= -1.01 F(o=-2.5!,f=-1) USER MOD Single : A 13 LYS NZ :NH3+ -151:sc= -0.788 (180deg=-2.35!) USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot -160:sc= -0.219 USER MOD Single : A 18 TYR OH : rot 105:sc= 0.631 USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 28 LYS NZ :NH3+ 176:sc=-0.00629 (180deg=-0.0566) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 SER OG : rot 180:sc= -0.165 USER MOD Single : A 46 ASN : amide:sc= 0.198 K(o=0.2,f=-0.63) USER MOD Single : A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 TYR OH : rot 9:sc= 0.285 USER MOD Single : A 51 GLN : amide:sc= -0.427 K(o=-0.43,f=-6.1!) USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 59 ASN : amide:sc= 0 X(o=0,f=-0.14) USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 HIS : no HD1:sc= 0 X(o=0,f=-0.0036) USER MOD Single : A 69 GLN : amide:sc= -1.25 X(o=-1.2,f=-1.6) USER MOD Single : A 71 LYS NZ :NH3+ -133:sc= -0.916 (180deg=-3.25!) USER MOD Single : A 72 THR OG1 : rot 86:sc= 0.682 USER MOD Single : A 75 THR OG1 : rot 87:sc= 1.14 USER MOD Single : A 76 GLN : amide:sc= -0.705 X(o=-0.71,f=-0.64) USER MOD Single : A 77 THR OG1 : rot 180:sc= 0 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0433) USER MOD Single : A 98 SER OG : rot -22:sc= 0.313 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -12.792 -1.181 0.577 1.00 34.15 N ATOM 2 CA MET A 1 -11.518 -0.863 -0.109 1.00 14.12 C ATOM 3 C MET A 1 -10.885 -2.164 -0.602 1.00 23.51 C ATOM 4 O MET A 1 -10.258 -2.896 0.172 1.00 10.35 O ATOM 5 CB MET A 1 -10.545 -0.074 0.821 1.00 62.41 C ATOM 6 CG MET A 1 -9.187 0.296 0.186 1.00 50.54 C ATOM 7 SD MET A 1 -8.170 1.306 1.287 1.00 23.53 S ATOM 8 CE MET A 1 -6.652 1.503 0.355 1.00 15.35 C ATOM 0 H1 MET A 1 -13.232 -0.302 0.917 1.00 34.15 H new ATOM 0 H2 MET A 1 -13.435 -1.655 -0.088 1.00 34.15 H new ATOM 0 H3 MET A 1 -12.604 -1.809 1.384 1.00 34.15 H new ATOM 0 HA MET A 1 -11.724 -0.215 -0.961 1.00 14.12 H new ATOM 0 HB2 MET A 1 -11.039 0.842 1.144 1.00 62.41 H new ATOM 0 HB3 MET A 1 -10.360 -0.669 1.716 1.00 62.41 H new ATOM 0 HG2 MET A 1 -8.647 -0.616 -0.070 1.00 50.54 H new ATOM 0 HG3 MET A 1 -9.359 0.837 -0.745 1.00 50.54 H new ATOM 0 HE1 MET A 1 -5.948 2.106 0.929 1.00 15.35 H new ATOM 0 HE2 MET A 1 -6.215 0.524 0.160 1.00 15.35 H new ATOM 0 HE3 MET A 1 -6.868 1.999 -0.591 1.00 15.35 H new ATOM 20 N THR A 2 -11.126 -2.471 -1.882 1.00 31.14 N ATOM 21 CA THR A 2 -10.516 -3.605 -2.578 1.00 15.14 C ATOM 22 C THR A 2 -9.094 -3.249 -3.042 1.00 31.51 C ATOM 23 O THR A 2 -8.644 -2.098 -2.881 1.00 72.41 O ATOM 24 CB THR A 2 -11.379 -4.000 -3.819 1.00 53.33 C ATOM 25 OG1 THR A 2 -11.550 -2.859 -4.675 1.00 73.03 O ATOM 26 CG2 THR A 2 -12.753 -4.545 -3.418 1.00 3.54 C ATOM 0 H THR A 2 -11.760 -1.930 -2.470 1.00 31.14 H new ATOM 0 HA THR A 2 -10.467 -4.445 -1.886 1.00 15.14 H new ATOM 0 HB THR A 2 -10.848 -4.792 -4.346 1.00 53.33 H new ATOM 0 HG1 THR A 2 -12.323 -3.002 -5.261 1.00 73.03 H new ATOM 0 HG21 THR A 2 -13.317 -4.806 -4.314 1.00 3.54 H new ATOM 0 HG22 THR A 2 -12.626 -5.432 -2.798 1.00 3.54 H new ATOM 0 HG23 THR A 2 -13.296 -3.785 -2.856 1.00 3.54 H new ATOM 34 N GLY A 3 -8.402 -4.239 -3.633 1.00 44.12 N ATOM 35 CA GLY A 3 -7.111 -4.017 -4.276 1.00 3.15 C ATOM 36 C GLY A 3 -7.208 -3.113 -5.482 1.00 62.11 C ATOM 37 O GLY A 3 -6.228 -2.486 -5.860 1.00 73.41 O ATOM 0 H GLY A 3 -8.725 -5.205 -3.674 1.00 44.12 H new ATOM 0 HA2 GLY A 3 -6.421 -3.580 -3.554 1.00 3.15 H new ATOM 0 HA3 GLY A 3 -6.691 -4.976 -4.579 1.00 3.15 H new ATOM 41 N GLN A 4 -8.408 -3.082 -6.093 1.00 70.23 N ATOM 42 CA GLN A 4 -8.772 -2.113 -7.133 1.00 53.42 C ATOM 43 C GLN A 4 -8.708 -0.682 -6.585 1.00 63.41 C ATOM 44 O GLN A 4 -8.103 0.175 -7.207 1.00 55.23 O ATOM 45 CB GLN A 4 -10.184 -2.449 -7.682 1.00 14.43 C ATOM 46 CG GLN A 4 -10.815 -1.365 -8.584 1.00 43.52 C ATOM 47 CD GLN A 4 -12.163 -1.782 -9.177 1.00 32.13 C ATOM 48 OE1 GLN A 4 -12.405 -2.957 -9.459 1.00 61.21 O ATOM 49 NE2 GLN A 4 -13.064 -0.832 -9.347 1.00 55.02 N ATOM 0 H GLN A 4 -9.157 -3.738 -5.873 1.00 70.23 H new ATOM 0 HA GLN A 4 -8.058 -2.178 -7.954 1.00 53.42 H new ATOM 0 HB2 GLN A 4 -10.125 -3.379 -8.247 1.00 14.43 H new ATOM 0 HB3 GLN A 4 -10.850 -2.630 -6.839 1.00 14.43 H new ATOM 0 HG2 GLN A 4 -10.948 -0.452 -8.004 1.00 43.52 H new ATOM 0 HG3 GLN A 4 -10.126 -1.130 -9.395 1.00 43.52 H new ATOM 0 HE21 GLN A 4 -12.839 0.133 -9.106 1.00 55.02 H new ATOM 0 HE22 GLN A 4 -13.985 -1.063 -9.719 1.00 55.02 H new ATOM 58 N GLU A 5 -9.305 -0.453 -5.401 1.00 73.15 N ATOM 59 CA GLU A 5 -9.354 0.889 -4.773 1.00 62.42 C ATOM 60 C GLU A 5 -7.950 1.366 -4.367 1.00 63.13 C ATOM 61 O GLU A 5 -7.616 2.554 -4.501 1.00 32.12 O ATOM 62 CB GLU A 5 -10.291 0.865 -3.542 1.00 53.11 C ATOM 63 CG GLU A 5 -11.711 0.344 -3.831 1.00 52.40 C ATOM 64 CD GLU A 5 -12.462 1.152 -4.899 1.00 62.03 C ATOM 65 OE1 GLU A 5 -13.109 2.157 -4.543 1.00 2.54 O ATOM 66 OE2 GLU A 5 -12.415 0.781 -6.093 1.00 41.13 O ATOM 0 H GLU A 5 -9.764 -1.182 -4.854 1.00 73.15 H new ATOM 0 HA GLU A 5 -9.747 1.593 -5.507 1.00 62.42 H new ATOM 0 HB2 GLU A 5 -9.839 0.243 -2.769 1.00 53.11 H new ATOM 0 HB3 GLU A 5 -10.363 1.874 -3.136 1.00 53.11 H new ATOM 0 HG2 GLU A 5 -11.648 -0.696 -4.153 1.00 52.40 H new ATOM 0 HG3 GLU A 5 -12.288 0.357 -2.906 1.00 52.40 H new ATOM 73 N LEU A 6 -7.146 0.414 -3.872 1.00 34.33 N ATOM 74 CA LEU A 6 -5.740 0.634 -3.529 1.00 12.21 C ATOM 75 C LEU A 6 -4.926 0.984 -4.795 1.00 54.53 C ATOM 76 O LEU A 6 -4.143 1.930 -4.788 1.00 72.24 O ATOM 77 CB LEU A 6 -5.198 -0.635 -2.825 1.00 41.13 C ATOM 78 CG LEU A 6 -3.690 -0.634 -2.409 1.00 65.22 C ATOM 79 CD1 LEU A 6 -3.324 0.573 -1.510 1.00 63.22 C ATOM 80 CD2 LEU A 6 -3.337 -1.965 -1.720 1.00 71.41 C ATOM 0 H LEU A 6 -7.461 -0.540 -3.698 1.00 34.33 H new ATOM 0 HA LEU A 6 -5.645 1.479 -2.847 1.00 12.21 H new ATOM 0 HB2 LEU A 6 -5.795 -0.805 -1.929 1.00 41.13 H new ATOM 0 HB3 LEU A 6 -5.365 -1.485 -3.486 1.00 41.13 H new ATOM 0 HG LEU A 6 -3.096 -0.532 -3.317 1.00 65.22 H new ATOM 0 HD11 LEU A 6 -2.267 0.526 -1.250 1.00 63.22 H new ATOM 0 HD12 LEU A 6 -3.525 1.500 -2.047 1.00 63.22 H new ATOM 0 HD13 LEU A 6 -3.923 0.544 -0.600 1.00 63.22 H new ATOM 0 HD21 LEU A 6 -2.286 -1.958 -1.433 1.00 71.41 H new ATOM 0 HD22 LEU A 6 -3.955 -2.090 -0.831 1.00 71.41 H new ATOM 0 HD23 LEU A 6 -3.520 -2.791 -2.408 1.00 71.41 H new ATOM 92 N ARG A 7 -5.178 0.240 -5.887 1.00 44.13 N ATOM 93 CA ARG A 7 -4.474 0.404 -7.177 1.00 32.35 C ATOM 94 C ARG A 7 -4.817 1.749 -7.821 1.00 12.53 C ATOM 95 O ARG A 7 -3.938 2.440 -8.321 1.00 72.00 O ATOM 96 CB ARG A 7 -4.848 -0.755 -8.128 1.00 64.44 C ATOM 97 CG ARG A 7 -4.013 -0.851 -9.422 1.00 71.23 C ATOM 98 CD ARG A 7 -4.335 -2.142 -10.200 1.00 22.24 C ATOM 99 NE ARG A 7 -3.557 -2.303 -11.438 1.00 74.12 N ATOM 100 CZ ARG A 7 -3.452 -3.451 -12.134 1.00 73.32 C ATOM 101 NH1 ARG A 7 -4.070 -4.566 -11.714 1.00 22.10 N ATOM 102 NH2 ARG A 7 -2.753 -3.466 -13.254 1.00 21.43 N ATOM 0 H ARG A 7 -5.881 -0.499 -5.902 1.00 44.13 H new ATOM 0 HA ARG A 7 -3.400 0.383 -6.990 1.00 32.35 H new ATOM 0 HB2 ARG A 7 -4.750 -1.694 -7.583 1.00 64.44 H new ATOM 0 HB3 ARG A 7 -5.898 -0.653 -8.401 1.00 64.44 H new ATOM 0 HG2 ARG A 7 -4.213 0.016 -10.052 1.00 71.23 H new ATOM 0 HG3 ARG A 7 -2.952 -0.827 -9.175 1.00 71.23 H new ATOM 0 HD2 ARG A 7 -4.151 -3.000 -9.553 1.00 22.24 H new ATOM 0 HD3 ARG A 7 -5.397 -2.151 -10.446 1.00 22.24 H new ATOM 0 HE ARG A 7 -3.061 -1.486 -11.795 1.00 74.12 H new ATOM 0 HH11 ARG A 7 -4.626 -4.550 -10.859 1.00 22.10 H new ATOM 0 HH12 ARG A 7 -3.983 -5.430 -12.250 1.00 22.10 H new ATOM 0 HH21 ARG A 7 -2.300 -2.614 -13.584 1.00 21.43 H new ATOM 0 HH22 ARG A 7 -2.666 -4.330 -13.790 1.00 21.43 H new ATOM 116 N GLN A 8 -6.109 2.124 -7.757 1.00 70.45 N ATOM 117 CA GLN A 8 -6.624 3.389 -8.312 1.00 31.33 C ATOM 118 C GLN A 8 -6.066 4.590 -7.545 1.00 14.21 C ATOM 119 O GLN A 8 -6.042 5.683 -8.074 1.00 13.02 O ATOM 120 CB GLN A 8 -8.181 3.407 -8.289 1.00 53.35 C ATOM 121 CG GLN A 8 -8.845 2.435 -9.281 1.00 53.43 C ATOM 122 CD GLN A 8 -8.610 2.807 -10.745 1.00 14.51 C ATOM 123 OE1 GLN A 8 -7.501 2.370 -11.296 1.00 62.15 O flip ATOM 124 NE2 GLN A 8 -9.407 3.516 -11.359 1.00 24.35 N flip ATOM 0 H GLN A 8 -6.829 1.553 -7.315 1.00 70.45 H new ATOM 0 HA GLN A 8 -6.292 3.461 -9.348 1.00 31.33 H new ATOM 0 HB2 GLN A 8 -8.520 3.166 -7.281 1.00 53.35 H new ATOM 0 HB3 GLN A 8 -8.523 4.419 -8.507 1.00 53.35 H new ATOM 0 HG2 GLN A 8 -8.463 1.430 -9.104 1.00 53.43 H new ATOM 0 HG3 GLN A 8 -9.918 2.407 -9.088 1.00 53.43 H new ATOM 0 HE21 GLN A 8 -10.260 3.839 -10.902 1.00 24.35 H new ATOM 0 HE22 GLN A 8 -9.215 3.781 -12.325 1.00 24.35 H new ATOM 133 N LEU A 9 -5.645 4.357 -6.295 1.00 72.51 N ATOM 134 CA LEU A 9 -5.011 5.373 -5.438 1.00 42.04 C ATOM 135 C LEU A 9 -3.537 5.591 -5.859 1.00 33.30 C ATOM 136 O LEU A 9 -3.031 6.727 -5.846 1.00 25.34 O ATOM 137 CB LEU A 9 -5.122 4.895 -3.967 1.00 51.14 C ATOM 138 CG LEU A 9 -4.597 5.854 -2.857 1.00 72.43 C ATOM 139 CD1 LEU A 9 -5.382 7.186 -2.816 1.00 41.32 C ATOM 140 CD2 LEU A 9 -4.619 5.145 -1.487 1.00 42.50 C ATOM 0 H LEU A 9 -5.735 3.447 -5.843 1.00 72.51 H new ATOM 0 HA LEU A 9 -5.515 6.334 -5.544 1.00 42.04 H new ATOM 0 HB2 LEU A 9 -6.171 4.684 -3.760 1.00 51.14 H new ATOM 0 HB3 LEU A 9 -4.584 3.951 -3.878 1.00 51.14 H new ATOM 0 HG LEU A 9 -3.566 6.111 -3.100 1.00 72.43 H new ATOM 0 HD11 LEU A 9 -4.980 7.821 -2.027 1.00 41.32 H new ATOM 0 HD12 LEU A 9 -5.286 7.695 -3.775 1.00 41.32 H new ATOM 0 HD13 LEU A 9 -6.434 6.982 -2.617 1.00 41.32 H new ATOM 0 HD21 LEU A 9 -4.250 5.825 -0.719 1.00 42.50 H new ATOM 0 HD22 LEU A 9 -5.640 4.847 -1.248 1.00 42.50 H new ATOM 0 HD23 LEU A 9 -3.983 4.261 -1.525 1.00 42.50 H new ATOM 152 N LEU A 10 -2.869 4.486 -6.260 1.00 72.41 N ATOM 153 CA LEU A 10 -1.471 4.514 -6.751 1.00 54.31 C ATOM 154 C LEU A 10 -1.419 5.165 -8.149 1.00 60.50 C ATOM 155 O LEU A 10 -0.489 5.908 -8.471 1.00 40.31 O ATOM 156 CB LEU A 10 -0.884 3.070 -6.817 1.00 72.35 C ATOM 157 CG LEU A 10 -1.086 2.178 -5.551 1.00 32.20 C ATOM 158 CD1 LEU A 10 -0.590 0.742 -5.798 1.00 30.30 C ATOM 159 CD2 LEU A 10 -0.424 2.792 -4.301 1.00 12.53 C ATOM 0 H LEU A 10 -3.281 3.553 -6.253 1.00 72.41 H new ATOM 0 HA LEU A 10 -0.871 5.102 -6.057 1.00 54.31 H new ATOM 0 HB2 LEU A 10 -1.331 2.559 -7.670 1.00 72.35 H new ATOM 0 HB3 LEU A 10 0.185 3.145 -7.015 1.00 72.35 H new ATOM 0 HG LEU A 10 -2.157 2.134 -5.356 1.00 32.20 H new ATOM 0 HD11 LEU A 10 -0.743 0.144 -4.899 1.00 30.30 H new ATOM 0 HD12 LEU A 10 -1.146 0.302 -6.626 1.00 30.30 H new ATOM 0 HD13 LEU A 10 0.472 0.761 -6.044 1.00 30.30 H new ATOM 0 HD21 LEU A 10 -0.589 2.139 -3.444 1.00 12.53 H new ATOM 0 HD22 LEU A 10 0.647 2.901 -4.473 1.00 12.53 H new ATOM 0 HD23 LEU A 10 -0.861 3.770 -4.101 1.00 12.53 H new ATOM 171 N LEU A 11 -2.448 4.862 -8.969 1.00 21.30 N ATOM 172 CA LEU A 11 -2.597 5.400 -10.334 1.00 70.54 C ATOM 173 C LEU A 11 -3.042 6.877 -10.298 1.00 51.44 C ATOM 174 O LEU A 11 -2.623 7.675 -11.148 1.00 41.40 O ATOM 175 CB LEU A 11 -3.619 4.546 -11.140 1.00 2.23 C ATOM 176 CG LEU A 11 -3.236 3.042 -11.350 1.00 23.41 C ATOM 177 CD1 LEU A 11 -4.350 2.271 -12.088 1.00 42.41 C ATOM 178 CD2 LEU A 11 -1.893 2.904 -12.090 1.00 42.02 C ATOM 0 H LEU A 11 -3.203 4.232 -8.698 1.00 21.30 H new ATOM 0 HA LEU A 11 -1.627 5.350 -10.829 1.00 70.54 H new ATOM 0 HB2 LEU A 11 -4.581 4.588 -10.630 1.00 2.23 H new ATOM 0 HB3 LEU A 11 -3.756 5.006 -12.118 1.00 2.23 H new ATOM 0 HG LEU A 11 -3.123 2.597 -10.361 1.00 23.41 H new ATOM 0 HD11 LEU A 11 -4.049 1.231 -12.216 1.00 42.41 H new ATOM 0 HD12 LEU A 11 -5.270 2.314 -11.505 1.00 42.41 H new ATOM 0 HD13 LEU A 11 -4.519 2.723 -13.065 1.00 42.41 H new ATOM 0 HD21 LEU A 11 -1.656 1.848 -12.220 1.00 42.02 H new ATOM 0 HD22 LEU A 11 -1.965 3.383 -13.067 1.00 42.02 H new ATOM 0 HD23 LEU A 11 -1.106 3.384 -11.508 1.00 42.02 H new ATOM 190 N ASP A 12 -3.919 7.204 -9.321 1.00 53.01 N ATOM 191 CA ASP A 12 -4.395 8.584 -9.047 1.00 42.03 C ATOM 192 C ASP A 12 -3.208 9.530 -8.850 1.00 1.41 C ATOM 193 O ASP A 12 -3.074 10.551 -9.540 1.00 61.01 O ATOM 194 CB ASP A 12 -5.293 8.604 -7.760 1.00 63.22 C ATOM 195 CG ASP A 12 -5.835 10.009 -7.397 1.00 22.04 C ATOM 196 OD1 ASP A 12 -5.091 10.823 -6.797 1.00 42.33 O ATOM 197 OD2 ASP A 12 -7.014 10.304 -7.700 1.00 64.33 O ATOM 0 H ASP A 12 -4.322 6.510 -8.692 1.00 53.01 H new ATOM 0 HA ASP A 12 -4.982 8.918 -9.903 1.00 42.03 H new ATOM 0 HB2 ASP A 12 -6.135 7.927 -7.905 1.00 63.22 H new ATOM 0 HB3 ASP A 12 -4.715 8.219 -6.919 1.00 63.22 H new ATOM 202 N LYS A 13 -2.355 9.155 -7.890 1.00 20.43 N ATOM 203 CA LYS A 13 -1.287 10.009 -7.395 1.00 72.53 C ATOM 204 C LYS A 13 -0.026 9.910 -8.267 1.00 23.54 C ATOM 205 O LYS A 13 0.428 10.916 -8.824 1.00 31.42 O ATOM 206 CB LYS A 13 -0.992 9.650 -5.909 1.00 32.22 C ATOM 207 CG LYS A 13 0.001 10.596 -5.185 1.00 52.04 C ATOM 208 CD LYS A 13 -0.358 12.106 -5.281 1.00 63.44 C ATOM 209 CE LYS A 13 -1.620 12.515 -4.487 1.00 12.21 C ATOM 210 NZ LYS A 13 -2.898 11.983 -5.047 1.00 52.32 N ATOM 0 H LYS A 13 -2.393 8.242 -7.436 1.00 20.43 H new ATOM 0 HA LYS A 13 -1.612 11.048 -7.450 1.00 72.53 H new ATOM 0 HB2 LYS A 13 -1.933 9.648 -5.359 1.00 32.22 H new ATOM 0 HB3 LYS A 13 -0.597 8.635 -5.869 1.00 32.22 H new ATOM 0 HG2 LYS A 13 0.050 10.314 -4.133 1.00 52.04 H new ATOM 0 HG3 LYS A 13 0.996 10.445 -5.603 1.00 52.04 H new ATOM 0 HD2 LYS A 13 0.488 12.692 -4.921 1.00 63.44 H new ATOM 0 HD3 LYS A 13 -0.503 12.366 -6.329 1.00 63.44 H new ATOM 0 HE2 LYS A 13 -1.516 12.169 -3.459 1.00 12.21 H new ATOM 0 HE3 LYS A 13 -1.677 13.603 -4.453 1.00 12.21 H new ATOM 0 HZ1 LYS A 13 -3.675 12.635 -4.819 1.00 52.32 H new ATOM 0 HZ2 LYS A 13 -2.814 11.893 -6.080 1.00 52.32 H new ATOM 0 HZ3 LYS A 13 -3.096 11.050 -4.633 1.00 52.32 H new ATOM 224 N TRP A 14 0.528 8.697 -8.392 1.00 72.15 N ATOM 225 CA TRP A 14 1.868 8.492 -8.982 1.00 51.25 C ATOM 226 C TRP A 14 1.801 7.998 -10.444 1.00 50.40 C ATOM 227 O TRP A 14 2.798 8.085 -11.172 1.00 12.13 O ATOM 228 CB TRP A 14 2.658 7.502 -8.101 1.00 12.22 C ATOM 229 CG TRP A 14 2.779 7.933 -6.652 1.00 41.43 C ATOM 230 CD1 TRP A 14 3.129 9.166 -6.193 1.00 72.41 C ATOM 231 CD2 TRP A 14 2.555 7.133 -5.484 1.00 41.15 C ATOM 232 NE1 TRP A 14 3.131 9.183 -4.823 1.00 23.22 N ATOM 233 CE2 TRP A 14 2.790 7.948 -4.363 1.00 34.02 C ATOM 234 CE3 TRP A 14 2.179 5.810 -5.278 1.00 53.23 C ATOM 235 CZ2 TRP A 14 2.660 7.486 -3.056 1.00 43.15 C ATOM 236 CZ3 TRP A 14 2.057 5.352 -3.983 1.00 44.15 C ATOM 237 CH2 TRP A 14 2.299 6.187 -2.886 1.00 73.32 C ATOM 0 H TRP A 14 0.071 7.836 -8.092 1.00 72.15 H new ATOM 0 HA TRP A 14 2.380 9.454 -9.010 1.00 51.25 H new ATOM 0 HB2 TRP A 14 2.172 6.527 -8.141 1.00 12.22 H new ATOM 0 HB3 TRP A 14 3.657 7.377 -8.518 1.00 12.22 H new ATOM 0 HD1 TRP A 14 3.371 10.011 -6.820 1.00 72.41 H new ATOM 0 HE1 TRP A 14 3.352 9.991 -4.241 1.00 23.22 H new ATOM 0 HE3 TRP A 14 1.987 5.155 -6.115 1.00 53.23 H new ATOM 0 HZ2 TRP A 14 2.839 8.134 -2.211 1.00 43.15 H new ATOM 0 HZ3 TRP A 14 1.768 4.326 -3.811 1.00 44.15 H new ATOM 0 HH2 TRP A 14 2.197 5.792 -1.886 1.00 73.32 H new ATOM 248 N GLY A 15 0.634 7.458 -10.850 1.00 14.31 N ATOM 249 CA GLY A 15 0.390 7.053 -12.243 1.00 44.10 C ATOM 250 C GLY A 15 0.874 5.652 -12.587 1.00 23.22 C ATOM 251 O GLY A 15 0.792 5.233 -13.746 1.00 34.43 O ATOM 0 H GLY A 15 -0.156 7.293 -10.226 1.00 14.31 H new ATOM 0 HA2 GLY A 15 -0.680 7.114 -12.444 1.00 44.10 H new ATOM 0 HA3 GLY A 15 0.880 7.766 -12.906 1.00 44.10 H new ATOM 255 N TYR A 16 1.374 4.914 -11.581 1.00 74.55 N ATOM 256 CA TYR A 16 1.936 3.564 -11.778 1.00 65.32 C ATOM 257 C TYR A 16 1.365 2.607 -10.739 1.00 44.14 C ATOM 258 O TYR A 16 1.095 2.999 -9.592 1.00 22.54 O ATOM 259 CB TYR A 16 3.484 3.571 -11.711 1.00 11.24 C ATOM 260 CG TYR A 16 4.162 4.448 -12.771 1.00 11.00 C ATOM 261 CD1 TYR A 16 4.323 4.004 -14.085 1.00 4.21 C ATOM 262 CD2 TYR A 16 4.636 5.722 -12.457 1.00 43.11 C ATOM 263 CE1 TYR A 16 4.935 4.800 -15.043 1.00 4.15 C ATOM 264 CE2 TYR A 16 5.243 6.513 -13.411 1.00 54.30 C ATOM 265 CZ TYR A 16 5.389 6.053 -14.694 1.00 25.41 C ATOM 266 OH TYR A 16 6.004 6.852 -15.630 1.00 71.14 O ATOM 0 H TYR A 16 1.401 5.233 -10.613 1.00 74.55 H new ATOM 0 HA TYR A 16 1.653 3.226 -12.775 1.00 65.32 H new ATOM 0 HB2 TYR A 16 3.791 3.914 -10.723 1.00 11.24 H new ATOM 0 HB3 TYR A 16 3.844 2.548 -11.819 1.00 11.24 H new ATOM 0 HD1 TYR A 16 3.965 3.023 -14.361 1.00 4.21 H new ATOM 0 HD2 TYR A 16 4.526 6.096 -11.450 1.00 43.11 H new ATOM 0 HE1 TYR A 16 5.054 4.440 -16.054 1.00 4.15 H new ATOM 0 HE2 TYR A 16 5.604 7.496 -13.146 1.00 54.30 H new ATOM 0 HH TYR A 16 6.261 7.702 -15.216 1.00 71.14 H new ATOM 276 N SER A 17 1.168 1.354 -11.165 1.00 33.35 N ATOM 277 CA SER A 17 0.621 0.292 -10.327 1.00 73.41 C ATOM 278 C SER A 17 1.743 -0.336 -9.484 1.00 23.41 C ATOM 279 O SER A 17 2.289 -1.389 -9.830 1.00 25.33 O ATOM 280 CB SER A 17 -0.079 -0.750 -11.233 1.00 32.02 C ATOM 281 OG SER A 17 0.782 -1.160 -12.286 1.00 51.23 O ATOM 0 H SER A 17 1.388 1.050 -12.113 1.00 33.35 H new ATOM 0 HA SER A 17 -0.119 0.693 -9.634 1.00 73.41 H new ATOM 0 HB2 SER A 17 -0.373 -1.616 -10.640 1.00 32.02 H new ATOM 0 HB3 SER A 17 -0.992 -0.323 -11.648 1.00 32.02 H new ATOM 0 HG SER A 17 0.250 -1.553 -13.009 1.00 51.23 H new ATOM 287 N TYR A 18 2.091 0.334 -8.376 1.00 51.50 N ATOM 288 CA TYR A 18 3.196 -0.079 -7.500 1.00 73.24 C ATOM 289 C TYR A 18 2.802 -1.259 -6.592 1.00 52.32 C ATOM 290 O TYR A 18 1.644 -1.397 -6.187 1.00 72.43 O ATOM 291 CB TYR A 18 3.673 1.110 -6.634 1.00 25.43 C ATOM 292 CG TYR A 18 4.352 2.230 -7.420 1.00 44.34 C ATOM 293 CD1 TYR A 18 5.660 2.086 -7.881 1.00 23.34 C ATOM 294 CD2 TYR A 18 3.702 3.434 -7.679 1.00 40.30 C ATOM 295 CE1 TYR A 18 6.292 3.098 -8.571 1.00 15.14 C ATOM 296 CE2 TYR A 18 4.333 4.443 -8.373 1.00 25.22 C ATOM 297 CZ TYR A 18 5.622 4.275 -8.816 1.00 52.24 C ATOM 298 OH TYR A 18 6.244 5.293 -9.507 1.00 11.31 O ATOM 0 H TYR A 18 1.613 1.179 -8.062 1.00 51.50 H new ATOM 0 HA TYR A 18 4.011 -0.410 -8.144 1.00 73.24 H new ATOM 0 HB2 TYR A 18 2.816 1.524 -6.102 1.00 25.43 H new ATOM 0 HB3 TYR A 18 4.367 0.739 -5.880 1.00 25.43 H new ATOM 0 HD1 TYR A 18 6.189 1.163 -7.694 1.00 23.34 H new ATOM 0 HD2 TYR A 18 2.690 3.579 -7.331 1.00 40.30 H new ATOM 0 HE1 TYR A 18 7.307 2.968 -8.917 1.00 15.14 H new ATOM 0 HE2 TYR A 18 3.813 5.369 -8.569 1.00 25.22 H new ATOM 0 HH TYR A 18 5.887 5.335 -10.419 1.00 11.31 H new ATOM 308 N ASP A 19 3.791 -2.101 -6.288 1.00 44.31 N ATOM 309 CA ASP A 19 3.679 -3.149 -5.266 1.00 33.03 C ATOM 310 C ASP A 19 3.685 -2.491 -3.886 1.00 71.41 C ATOM 311 O ASP A 19 4.393 -1.512 -3.666 1.00 61.02 O ATOM 312 CB ASP A 19 4.854 -4.152 -5.378 1.00 32.31 C ATOM 313 CG ASP A 19 4.831 -5.232 -4.274 1.00 0.23 C ATOM 314 OD1 ASP A 19 4.008 -6.167 -4.360 1.00 61.32 O ATOM 315 OD2 ASP A 19 5.621 -5.147 -3.308 1.00 44.01 O ATOM 0 H ASP A 19 4.702 -2.076 -6.747 1.00 44.31 H new ATOM 0 HA ASP A 19 2.750 -3.699 -5.415 1.00 33.03 H new ATOM 0 HB2 ASP A 19 4.819 -4.637 -6.354 1.00 32.31 H new ATOM 0 HB3 ASP A 19 5.796 -3.607 -5.326 1.00 32.31 H new ATOM 320 N VAL A 20 2.878 -3.024 -2.974 1.00 50.24 N ATOM 321 CA VAL A 20 2.820 -2.570 -1.582 1.00 62.41 C ATOM 322 C VAL A 20 2.962 -3.801 -0.661 1.00 55.35 C ATOM 323 O VAL A 20 2.242 -4.796 -0.821 1.00 2.15 O ATOM 324 CB VAL A 20 1.481 -1.786 -1.295 1.00 24.30 C ATOM 325 CG1 VAL A 20 1.437 -0.423 -2.030 1.00 24.21 C ATOM 326 CG2 VAL A 20 0.236 -2.626 -1.657 1.00 55.31 C ATOM 0 H VAL A 20 2.238 -3.791 -3.179 1.00 50.24 H new ATOM 0 HA VAL A 20 3.637 -1.875 -1.387 1.00 62.41 H new ATOM 0 HB VAL A 20 1.464 -1.592 -0.222 1.00 24.30 H new ATOM 0 HG11 VAL A 20 0.498 0.082 -1.804 1.00 24.21 H new ATOM 0 HG12 VAL A 20 2.271 0.196 -1.699 1.00 24.21 H new ATOM 0 HG13 VAL A 20 1.511 -0.587 -3.105 1.00 24.21 H new ATOM 0 HG21 VAL A 20 -0.665 -2.051 -1.445 1.00 55.31 H new ATOM 0 HG22 VAL A 20 0.264 -2.879 -2.717 1.00 55.31 H new ATOM 0 HG23 VAL A 20 0.230 -3.541 -1.065 1.00 55.31 H new ATOM 336 N GLN A 21 3.910 -3.735 0.276 1.00 12.13 N ATOM 337 CA GLN A 21 4.208 -4.845 1.193 1.00 23.21 C ATOM 338 C GLN A 21 4.238 -4.342 2.636 1.00 22.33 C ATOM 339 O GLN A 21 4.682 -3.220 2.908 1.00 73.21 O ATOM 340 CB GLN A 21 5.549 -5.537 0.810 1.00 25.40 C ATOM 341 CG GLN A 21 6.786 -4.607 0.739 1.00 4.01 C ATOM 342 CD GLN A 21 8.082 -5.342 0.365 1.00 13.24 C ATOM 343 OE1 GLN A 21 8.066 -6.346 -0.345 1.00 71.10 O ATOM 344 NE2 GLN A 21 9.215 -4.838 0.826 1.00 24.31 N ATOM 0 H GLN A 21 4.494 -2.912 0.423 1.00 12.13 H new ATOM 0 HA GLN A 21 3.417 -5.590 1.106 1.00 23.21 H new ATOM 0 HB2 GLN A 21 5.751 -6.325 1.535 1.00 25.40 H new ATOM 0 HB3 GLN A 21 5.424 -6.020 -0.159 1.00 25.40 H new ATOM 0 HG2 GLN A 21 6.599 -3.821 0.007 1.00 4.01 H new ATOM 0 HG3 GLN A 21 6.920 -4.119 1.704 1.00 4.01 H new ATOM 0 HE21 GLN A 21 9.201 -4.004 1.413 1.00 24.31 H new ATOM 0 HE22 GLN A 21 10.103 -5.283 0.594 1.00 24.31 H new ATOM 353 N PHE A 22 3.743 -5.190 3.546 1.00 62.12 N ATOM 354 CA PHE A 22 3.662 -4.879 4.977 1.00 11.51 C ATOM 355 C PHE A 22 5.024 -5.023 5.662 1.00 1.21 C ATOM 356 O PHE A 22 5.878 -5.815 5.232 1.00 61.42 O ATOM 357 CB PHE A 22 2.612 -5.786 5.668 1.00 74.24 C ATOM 358 CG PHE A 22 1.175 -5.433 5.296 1.00 41.32 C ATOM 359 CD1 PHE A 22 0.577 -4.274 5.805 1.00 13.41 C ATOM 360 CD2 PHE A 22 0.427 -6.244 4.449 1.00 1.41 C ATOM 361 CE1 PHE A 22 -0.724 -3.948 5.479 1.00 52.55 C ATOM 362 CE2 PHE A 22 -0.867 -5.913 4.127 1.00 13.11 C ATOM 363 CZ PHE A 22 -1.443 -4.766 4.641 1.00 71.12 C ATOM 0 H PHE A 22 3.386 -6.115 3.308 1.00 62.12 H new ATOM 0 HA PHE A 22 3.350 -3.839 5.073 1.00 11.51 H new ATOM 0 HB2 PHE A 22 2.805 -6.825 5.399 1.00 74.24 H new ATOM 0 HB3 PHE A 22 2.730 -5.709 6.749 1.00 74.24 H new ATOM 0 HD1 PHE A 22 1.141 -3.627 6.461 1.00 13.41 H new ATOM 0 HD2 PHE A 22 0.867 -7.142 4.041 1.00 1.41 H new ATOM 0 HE1 PHE A 22 -1.175 -3.053 5.881 1.00 52.55 H new ATOM 0 HE2 PHE A 22 -1.437 -6.552 3.469 1.00 13.11 H new ATOM 0 HZ PHE A 22 -2.461 -4.512 4.383 1.00 71.12 H new ATOM 373 N ARG A 23 5.203 -4.259 6.745 1.00 50.12 N ATOM 374 CA ARG A 23 6.425 -4.280 7.544 1.00 13.43 C ATOM 375 C ARG A 23 6.050 -4.115 9.019 1.00 2.44 C ATOM 376 O ARG A 23 5.462 -3.113 9.410 1.00 14.21 O ATOM 377 CB ARG A 23 7.404 -3.169 7.084 1.00 22.24 C ATOM 378 CG ARG A 23 8.775 -3.227 7.791 1.00 22.44 C ATOM 379 CD ARG A 23 9.753 -2.183 7.253 1.00 21.32 C ATOM 380 NE ARG A 23 11.111 -2.343 7.802 1.00 2.30 N ATOM 381 CZ ARG A 23 12.237 -2.503 7.075 1.00 34.14 C ATOM 382 NH1 ARG A 23 12.196 -2.529 5.740 1.00 43.33 N ATOM 383 NH2 ARG A 23 13.401 -2.653 7.690 1.00 5.34 N ATOM 0 H ARG A 23 4.499 -3.607 7.090 1.00 50.12 H new ATOM 0 HA ARG A 23 6.937 -5.233 7.408 1.00 13.43 H new ATOM 0 HB2 ARG A 23 7.555 -3.251 6.008 1.00 22.24 H new ATOM 0 HB3 ARG A 23 6.949 -2.196 7.269 1.00 22.24 H new ATOM 0 HG2 ARG A 23 8.636 -3.073 8.861 1.00 22.44 H new ATOM 0 HG3 ARG A 23 9.204 -4.221 7.665 1.00 22.44 H new ATOM 0 HD2 ARG A 23 9.794 -2.255 6.166 1.00 21.32 H new ATOM 0 HD3 ARG A 23 9.383 -1.186 7.493 1.00 21.32 H new ATOM 0 HE ARG A 23 11.208 -2.332 8.817 1.00 2.30 H new ATOM 0 HH11 ARG A 23 11.304 -2.427 5.255 1.00 43.33 H new ATOM 0 HH12 ARG A 23 13.056 -2.651 5.206 1.00 43.33 H new ATOM 0 HH21 ARG A 23 13.444 -2.647 8.709 1.00 5.34 H new ATOM 0 HH22 ARG A 23 14.254 -2.774 7.144 1.00 5.34 H new ATOM 397 N ARG A 24 6.419 -5.098 9.825 1.00 0.40 N ATOM 398 CA ARG A 24 5.989 -5.212 11.221 1.00 22.11 C ATOM 399 C ARG A 24 7.214 -5.075 12.128 1.00 62.43 C ATOM 400 O ARG A 24 8.067 -5.963 12.170 1.00 14.40 O ATOM 401 CB ARG A 24 5.264 -6.564 11.423 1.00 73.25 C ATOM 402 CG ARG A 24 4.752 -6.817 12.861 1.00 1.21 C ATOM 403 CD ARG A 24 3.896 -8.094 12.953 1.00 11.31 C ATOM 404 NE ARG A 24 2.722 -8.026 12.053 1.00 24.10 N ATOM 405 CZ ARG A 24 2.193 -9.051 11.359 1.00 0.12 C ATOM 406 NH1 ARG A 24 2.708 -10.280 11.439 1.00 24.43 N ATOM 407 NH2 ARG A 24 1.162 -8.826 10.554 1.00 43.33 N ATOM 0 H ARG A 24 7.036 -5.854 9.528 1.00 0.40 H new ATOM 0 HA ARG A 24 5.287 -4.419 11.479 1.00 22.11 H new ATOM 0 HB2 ARG A 24 4.418 -6.613 10.737 1.00 73.25 H new ATOM 0 HB3 ARG A 24 5.944 -7.370 11.148 1.00 73.25 H new ATOM 0 HG2 ARG A 24 5.602 -6.901 13.539 1.00 1.21 H new ATOM 0 HG3 ARG A 24 4.163 -5.961 13.192 1.00 1.21 H new ATOM 0 HD2 ARG A 24 4.504 -8.961 12.694 1.00 11.31 H new ATOM 0 HD3 ARG A 24 3.561 -8.235 13.980 1.00 11.31 H new ATOM 0 HE ARG A 24 2.272 -7.117 11.949 1.00 24.10 H new ATOM 0 HH11 ARG A 24 3.517 -10.456 12.034 1.00 24.43 H new ATOM 0 HH12 ARG A 24 2.292 -11.043 10.905 1.00 24.43 H new ATOM 0 HH21 ARG A 24 0.779 -7.885 10.466 1.00 43.33 H new ATOM 0 HH22 ARG A 24 0.752 -9.594 10.023 1.00 43.33 H new ATOM 421 N THR A 25 7.315 -3.928 12.812 1.00 32.42 N ATOM 422 CA THR A 25 8.438 -3.614 13.713 1.00 54.22 C ATOM 423 C THR A 25 7.930 -2.811 14.921 1.00 21.20 C ATOM 424 O THR A 25 7.076 -1.922 14.764 1.00 21.23 O ATOM 425 CB THR A 25 9.579 -2.841 12.951 1.00 12.12 C ATOM 426 OG1 THR A 25 10.644 -2.477 13.849 1.00 14.51 O ATOM 427 CG2 THR A 25 9.060 -1.583 12.234 1.00 1.41 C ATOM 0 H THR A 25 6.617 -3.186 12.757 1.00 32.42 H new ATOM 0 HA THR A 25 8.868 -4.548 14.074 1.00 54.22 H new ATOM 0 HB THR A 25 9.960 -3.526 12.193 1.00 12.12 H new ATOM 0 HG1 THR A 25 11.341 -2.000 13.353 1.00 14.51 H new ATOM 0 HG21 THR A 25 9.886 -1.087 11.725 1.00 1.41 H new ATOM 0 HG22 THR A 25 8.302 -1.867 11.504 1.00 1.41 H new ATOM 0 HG23 THR A 25 8.623 -0.902 12.964 1.00 1.41 H new ATOM 435 N GLN A 26 8.450 -3.169 16.121 1.00 20.10 N ATOM 436 CA GLN A 26 8.112 -2.522 17.413 1.00 14.55 C ATOM 437 C GLN A 26 6.592 -2.633 17.728 1.00 34.44 C ATOM 438 O GLN A 26 6.030 -1.774 18.416 1.00 62.05 O ATOM 439 CB GLN A 26 8.602 -1.038 17.433 1.00 72.31 C ATOM 440 CG GLN A 26 10.124 -0.861 17.233 1.00 34.41 C ATOM 441 CD GLN A 26 10.571 0.606 17.261 1.00 14.34 C ATOM 442 OE1 GLN A 26 10.600 1.277 16.231 1.00 41.32 O ATOM 443 NE2 GLN A 26 10.935 1.101 18.431 1.00 63.33 N ATOM 0 H GLN A 26 9.126 -3.926 16.220 1.00 20.10 H new ATOM 0 HA GLN A 26 8.638 -3.056 18.205 1.00 14.55 H new ATOM 0 HB2 GLN A 26 8.079 -0.486 16.652 1.00 72.31 H new ATOM 0 HB3 GLN A 26 8.319 -0.588 18.385 1.00 72.31 H new ATOM 0 HG2 GLN A 26 10.653 -1.410 18.012 1.00 34.41 H new ATOM 0 HG3 GLN A 26 10.412 -1.304 16.280 1.00 34.41 H new ATOM 0 HE21 GLN A 26 10.899 0.516 19.266 1.00 63.33 H new ATOM 0 HE22 GLN A 26 11.252 2.068 18.499 1.00 63.33 H new ATOM 452 N GLY A 27 5.951 -3.718 17.226 1.00 13.15 N ATOM 453 CA GLY A 27 4.514 -3.966 17.432 1.00 65.31 C ATOM 454 C GLY A 27 3.612 -3.114 16.539 1.00 33.42 C ATOM 455 O GLY A 27 2.383 -3.139 16.685 1.00 34.25 O ATOM 0 H GLY A 27 6.417 -4.437 16.672 1.00 13.15 H new ATOM 0 HA2 GLY A 27 4.305 -5.019 17.246 1.00 65.31 H new ATOM 0 HA3 GLY A 27 4.266 -3.772 18.476 1.00 65.31 H new ATOM 459 N LYS A 28 4.227 -2.339 15.636 1.00 1.54 N ATOM 460 CA LYS A 28 3.528 -1.466 14.679 1.00 22.23 C ATOM 461 C LYS A 28 3.549 -2.094 13.278 1.00 31.12 C ATOM 462 O LYS A 28 4.402 -2.944 12.990 1.00 72.34 O ATOM 463 CB LYS A 28 4.239 -0.093 14.652 1.00 45.43 C ATOM 464 CG LYS A 28 4.213 0.664 15.996 1.00 73.44 C ATOM 465 CD LYS A 28 5.180 1.865 16.012 1.00 31.11 C ATOM 466 CE LYS A 28 5.080 2.690 17.305 1.00 72.04 C ATOM 467 NZ LYS A 28 5.281 1.869 18.529 1.00 51.23 N ATOM 0 H LYS A 28 5.242 -2.299 15.547 1.00 1.54 H new ATOM 0 HA LYS A 28 2.489 -1.341 14.985 1.00 22.23 H new ATOM 0 HB2 LYS A 28 5.276 -0.240 14.352 1.00 45.43 H new ATOM 0 HB3 LYS A 28 3.772 0.530 13.889 1.00 45.43 H new ATOM 0 HG2 LYS A 28 3.200 1.014 16.193 1.00 73.44 H new ATOM 0 HG3 LYS A 28 4.476 -0.022 16.801 1.00 73.44 H new ATOM 0 HD2 LYS A 28 6.202 1.505 15.894 1.00 31.11 H new ATOM 0 HD3 LYS A 28 4.968 2.508 15.158 1.00 31.11 H new ATOM 0 HE2 LYS A 28 5.824 3.486 17.281 1.00 72.04 H new ATOM 0 HE3 LYS A 28 4.102 3.169 17.351 1.00 72.04 H new ATOM 0 HZ1 LYS A 28 5.271 2.486 19.366 1.00 51.23 H new ATOM 0 HZ2 LYS A 28 4.517 1.168 18.606 1.00 51.23 H new ATOM 0 HZ3 LYS A 28 6.196 1.379 18.472 1.00 51.23 H new ATOM 481 N ILE A 29 2.627 -1.650 12.403 1.00 41.54 N ATOM 482 CA ILE A 29 2.540 -2.140 11.014 1.00 22.41 C ATOM 483 C ILE A 29 2.673 -0.947 10.034 1.00 61.21 C ATOM 484 O ILE A 29 2.117 0.141 10.264 1.00 23.41 O ATOM 485 CB ILE A 29 1.204 -2.961 10.785 1.00 10.11 C ATOM 486 CG1 ILE A 29 1.209 -3.726 9.421 1.00 3.11 C ATOM 487 CG2 ILE A 29 -0.047 -2.072 10.912 1.00 23.01 C ATOM 488 CD1 ILE A 29 2.266 -4.815 9.318 1.00 72.20 C ATOM 0 H ILE A 29 1.926 -0.947 12.636 1.00 41.54 H new ATOM 0 HA ILE A 29 3.363 -2.828 10.820 1.00 22.41 H new ATOM 0 HB ILE A 29 1.162 -3.707 11.579 1.00 10.11 H new ATOM 0 HG12 ILE A 29 0.227 -4.173 9.265 1.00 3.11 H new ATOM 0 HG13 ILE A 29 1.364 -3.008 8.616 1.00 3.11 H new ATOM 0 HG21 ILE A 29 -0.940 -2.675 10.748 1.00 23.01 H new ATOM 0 HG22 ILE A 29 -0.083 -1.635 11.910 1.00 23.01 H new ATOM 0 HG23 ILE A 29 -0.005 -1.276 10.168 1.00 23.01 H new ATOM 0 HD11 ILE A 29 2.200 -5.295 8.342 1.00 72.20 H new ATOM 0 HD12 ILE A 29 3.255 -4.374 9.440 1.00 72.20 H new ATOM 0 HD13 ILE A 29 2.101 -5.557 10.099 1.00 72.20 H new ATOM 500 N PHE A 30 3.463 -1.147 8.968 1.00 50.32 N ATOM 501 CA PHE A 30 3.796 -0.107 7.972 1.00 20.10 C ATOM 502 C PHE A 30 3.605 -0.687 6.576 1.00 45.41 C ATOM 503 O PHE A 30 4.206 -1.712 6.255 1.00 32.03 O ATOM 504 CB PHE A 30 5.273 0.362 8.128 1.00 22.34 C ATOM 505 CG PHE A 30 5.595 1.002 9.478 1.00 13.31 C ATOM 506 CD1 PHE A 30 5.430 2.374 9.679 1.00 21.41 C ATOM 507 CD2 PHE A 30 6.057 0.230 10.549 1.00 2.35 C ATOM 508 CE1 PHE A 30 5.710 2.949 10.907 1.00 74.23 C ATOM 509 CE2 PHE A 30 6.338 0.810 11.774 1.00 30.45 C ATOM 510 CZ PHE A 30 6.165 2.168 11.952 1.00 71.00 C ATOM 0 H PHE A 30 3.897 -2.048 8.767 1.00 50.32 H new ATOM 0 HA PHE A 30 3.142 0.751 8.128 1.00 20.10 H new ATOM 0 HB2 PHE A 30 5.931 -0.495 7.980 1.00 22.34 H new ATOM 0 HB3 PHE A 30 5.499 1.078 7.338 1.00 22.34 H new ATOM 0 HD1 PHE A 30 5.080 2.994 8.867 1.00 21.41 H new ATOM 0 HD2 PHE A 30 6.196 -0.833 10.418 1.00 2.35 H new ATOM 0 HE1 PHE A 30 5.572 4.011 11.048 1.00 74.23 H new ATOM 0 HE2 PHE A 30 6.693 0.200 12.591 1.00 30.45 H new ATOM 0 HZ PHE A 30 6.385 2.620 12.908 1.00 71.00 H new ATOM 520 N LEU A 31 2.781 -0.042 5.745 1.00 64.40 N ATOM 521 CA LEU A 31 2.614 -0.465 4.347 1.00 54.11 C ATOM 522 C LEU A 31 3.623 0.303 3.479 1.00 15.45 C ATOM 523 O LEU A 31 3.394 1.463 3.137 1.00 43.42 O ATOM 524 CB LEU A 31 1.164 -0.232 3.835 1.00 34.35 C ATOM 525 CG LEU A 31 0.877 -0.820 2.412 1.00 41.41 C ATOM 526 CD1 LEU A 31 1.052 -2.354 2.410 1.00 71.24 C ATOM 527 CD2 LEU A 31 -0.520 -0.409 1.897 1.00 23.23 C ATOM 0 H LEU A 31 2.222 0.769 6.011 1.00 64.40 H new ATOM 0 HA LEU A 31 2.799 -1.537 4.282 1.00 54.11 H new ATOM 0 HB2 LEU A 31 0.466 -0.675 4.545 1.00 34.35 H new ATOM 0 HB3 LEU A 31 0.965 0.840 3.819 1.00 34.35 H new ATOM 0 HG LEU A 31 1.607 -0.397 1.722 1.00 41.41 H new ATOM 0 HD11 LEU A 31 0.848 -2.742 1.412 1.00 71.24 H new ATOM 0 HD12 LEU A 31 2.074 -2.604 2.695 1.00 71.24 H new ATOM 0 HD13 LEU A 31 0.358 -2.800 3.122 1.00 71.24 H new ATOM 0 HD21 LEU A 31 -0.683 -0.836 0.907 1.00 23.23 H new ATOM 0 HD22 LEU A 31 -1.283 -0.779 2.582 1.00 23.23 H new ATOM 0 HD23 LEU A 31 -0.581 0.678 1.838 1.00 23.23 H new ATOM 539 N GLN A 32 4.755 -0.332 3.158 1.00 1.13 N ATOM 540 CA GLN A 32 5.804 0.291 2.347 1.00 73.01 C ATOM 541 C GLN A 32 5.522 0.067 0.857 1.00 21.52 C ATOM 542 O GLN A 32 5.564 -1.073 0.368 1.00 64.21 O ATOM 543 CB GLN A 32 7.208 -0.248 2.723 1.00 13.53 C ATOM 544 CG GLN A 32 7.600 -0.002 4.202 1.00 21.41 C ATOM 545 CD GLN A 32 9.112 -0.039 4.454 1.00 0.24 C ATOM 546 OE1 GLN A 32 9.861 -0.748 3.781 1.00 22.21 O ATOM 547 NE2 GLN A 32 9.574 0.712 5.437 1.00 53.21 N ATOM 0 H GLN A 32 4.968 -1.285 3.451 1.00 1.13 H new ATOM 0 HA GLN A 32 5.797 1.362 2.552 1.00 73.01 H new ATOM 0 HB2 GLN A 32 7.241 -1.319 2.522 1.00 13.53 H new ATOM 0 HB3 GLN A 32 7.951 0.221 2.078 1.00 13.53 H new ATOM 0 HG2 GLN A 32 7.212 0.967 4.515 1.00 21.41 H new ATOM 0 HG3 GLN A 32 7.118 -0.755 4.826 1.00 21.41 H new ATOM 0 HE21 GLN A 32 8.934 1.291 5.981 1.00 53.21 H new ATOM 0 HE22 GLN A 32 10.571 0.713 5.653 1.00 53.21 H new ATOM 556 N VAL A 33 5.200 1.165 0.163 1.00 11.02 N ATOM 557 CA VAL A 33 5.037 1.192 -1.286 1.00 34.42 C ATOM 558 C VAL A 33 6.405 1.008 -1.959 1.00 14.34 C ATOM 559 O VAL A 33 7.287 1.876 -1.836 1.00 51.23 O ATOM 560 CB VAL A 33 4.402 2.545 -1.772 1.00 34.34 C ATOM 561 CG1 VAL A 33 4.191 2.535 -3.302 1.00 14.41 C ATOM 562 CG2 VAL A 33 3.079 2.835 -1.031 1.00 53.11 C ATOM 0 H VAL A 33 5.044 2.071 0.604 1.00 11.02 H new ATOM 0 HA VAL A 33 4.364 0.380 -1.563 1.00 34.42 H new ATOM 0 HB VAL A 33 5.099 3.348 -1.534 1.00 34.34 H new ATOM 0 HG11 VAL A 33 3.750 3.482 -3.615 1.00 14.41 H new ATOM 0 HG12 VAL A 33 5.151 2.399 -3.801 1.00 14.41 H new ATOM 0 HG13 VAL A 33 3.523 1.717 -3.572 1.00 14.41 H new ATOM 0 HG21 VAL A 33 2.662 3.777 -1.387 1.00 53.11 H new ATOM 0 HG22 VAL A 33 2.371 2.029 -1.222 1.00 53.11 H new ATOM 0 HG23 VAL A 33 3.269 2.904 0.040 1.00 53.11 H new ATOM 572 N MET A 34 6.580 -0.134 -2.629 1.00 25.14 N ATOM 573 CA MET A 34 7.765 -0.420 -3.443 1.00 72.41 C ATOM 574 C MET A 34 7.773 0.417 -4.734 1.00 73.12 C ATOM 575 O MET A 34 6.737 0.859 -5.225 1.00 72.14 O ATOM 576 CB MET A 34 7.818 -1.932 -3.792 1.00 71.43 C ATOM 577 CG MET A 34 7.981 -2.874 -2.590 1.00 25.35 C ATOM 578 SD MET A 34 9.564 -2.685 -1.728 1.00 22.43 S ATOM 579 CE MET A 34 9.145 -1.591 -0.364 1.00 42.32 C ATOM 0 H MET A 34 5.898 -0.892 -2.622 1.00 25.14 H new ATOM 0 HA MET A 34 8.646 -0.151 -2.860 1.00 72.41 H new ATOM 0 HB2 MET A 34 6.903 -2.199 -4.321 1.00 71.43 H new ATOM 0 HB3 MET A 34 8.646 -2.101 -4.481 1.00 71.43 H new ATOM 0 HG2 MET A 34 7.169 -2.693 -1.885 1.00 25.35 H new ATOM 0 HG3 MET A 34 7.884 -3.905 -2.931 1.00 25.35 H new ATOM 0 HE1 MET A 34 9.918 -1.651 0.402 1.00 42.32 H new ATOM 0 HE2 MET A 34 9.074 -0.566 -0.728 1.00 42.32 H new ATOM 0 HE3 MET A 34 8.188 -1.891 0.063 1.00 42.32 H new ATOM 589 N TRP A 35 8.981 0.586 -5.257 1.00 5.44 N ATOM 590 CA TRP A 35 9.284 1.244 -6.544 1.00 51.01 C ATOM 591 C TRP A 35 8.959 0.311 -7.726 1.00 12.22 C ATOM 592 O TRP A 35 8.897 0.745 -8.875 1.00 11.41 O ATOM 593 CB TRP A 35 10.787 1.639 -6.560 1.00 65.23 C ATOM 594 CG TRP A 35 11.734 0.508 -6.164 1.00 20.41 C ATOM 595 CD1 TRP A 35 12.382 -0.372 -6.993 1.00 54.35 C ATOM 596 CD2 TRP A 35 12.095 0.115 -4.818 1.00 31.33 C ATOM 597 NE1 TRP A 35 13.130 -1.255 -6.248 1.00 74.12 N ATOM 598 CE2 TRP A 35 12.965 -0.980 -4.919 1.00 64.14 C ATOM 599 CE3 TRP A 35 11.766 0.597 -3.539 1.00 12.34 C ATOM 600 CZ2 TRP A 35 13.514 -1.606 -3.799 1.00 35.33 C ATOM 601 CZ3 TRP A 35 12.299 -0.028 -2.429 1.00 1.22 C ATOM 602 CH2 TRP A 35 13.166 -1.119 -2.563 1.00 60.42 C ATOM 0 H TRP A 35 9.822 0.257 -4.782 1.00 5.44 H new ATOM 0 HA TRP A 35 8.667 2.136 -6.649 1.00 51.01 H new ATOM 0 HB2 TRP A 35 11.050 1.985 -7.560 1.00 65.23 H new ATOM 0 HB3 TRP A 35 10.938 2.479 -5.882 1.00 65.23 H new ATOM 0 HD1 TRP A 35 12.315 -0.372 -8.071 1.00 54.35 H new ATOM 0 HE1 TRP A 35 13.716 -1.998 -6.628 1.00 74.12 H new ATOM 0 HE3 TRP A 35 11.106 1.444 -3.426 1.00 12.34 H new ATOM 0 HZ2 TRP A 35 14.188 -2.443 -3.901 1.00 35.33 H new ATOM 0 HZ3 TRP A 35 12.043 0.330 -1.443 1.00 1.22 H new ATOM 0 HH2 TRP A 35 13.569 -1.587 -1.677 1.00 60.42 H new ATOM 613 N LYS A 36 8.778 -0.973 -7.414 1.00 13.04 N ATOM 614 CA LYS A 36 8.442 -2.008 -8.389 1.00 61.05 C ATOM 615 C LYS A 36 6.977 -1.836 -8.817 1.00 14.44 C ATOM 616 O LYS A 36 6.080 -2.091 -8.023 1.00 33.53 O ATOM 617 CB LYS A 36 8.634 -3.401 -7.730 1.00 64.44 C ATOM 618 CG LYS A 36 9.977 -3.574 -6.984 1.00 31.20 C ATOM 619 CD LYS A 36 9.978 -4.827 -6.077 1.00 2.11 C ATOM 620 CE LYS A 36 11.244 -4.930 -5.220 1.00 73.00 C ATOM 621 NZ LYS A 36 11.241 -6.147 -4.368 1.00 63.31 N ATOM 0 H LYS A 36 8.862 -1.327 -6.461 1.00 13.04 H new ATOM 0 HA LYS A 36 9.088 -1.926 -9.263 1.00 61.05 H new ATOM 0 HB2 LYS A 36 7.818 -3.573 -7.029 1.00 64.44 H new ATOM 0 HB3 LYS A 36 8.559 -4.168 -8.501 1.00 64.44 H new ATOM 0 HG2 LYS A 36 10.787 -3.650 -7.709 1.00 31.20 H new ATOM 0 HG3 LYS A 36 10.173 -2.688 -6.379 1.00 31.20 H new ATOM 0 HD2 LYS A 36 9.104 -4.801 -5.426 1.00 2.11 H new ATOM 0 HD3 LYS A 36 9.889 -5.720 -6.696 1.00 2.11 H new ATOM 0 HE2 LYS A 36 12.120 -4.943 -5.868 1.00 73.00 H new ATOM 0 HE3 LYS A 36 11.327 -4.045 -4.589 1.00 73.00 H new ATOM 0 HZ1 LYS A 36 12.115 -6.178 -3.804 1.00 63.31 H new ATOM 0 HZ2 LYS A 36 10.419 -6.123 -3.731 1.00 63.31 H new ATOM 0 HZ3 LYS A 36 11.187 -6.993 -4.971 1.00 63.31 H new ATOM 635 N TYR A 37 6.738 -1.372 -10.045 1.00 52.24 N ATOM 636 CA TYR A 37 5.378 -1.308 -10.624 1.00 74.44 C ATOM 637 C TYR A 37 5.222 -2.364 -11.724 1.00 5.02 C ATOM 638 O TYR A 37 6.212 -2.770 -12.342 1.00 61.43 O ATOM 639 CB TYR A 37 5.030 0.116 -11.135 1.00 70.33 C ATOM 640 CG TYR A 37 6.078 0.783 -12.029 1.00 32.11 C ATOM 641 CD1 TYR A 37 7.180 1.437 -11.476 1.00 3.40 C ATOM 642 CD2 TYR A 37 5.947 0.800 -13.412 1.00 31.22 C ATOM 643 CE1 TYR A 37 8.108 2.076 -12.265 1.00 75.30 C ATOM 644 CE2 TYR A 37 6.877 1.434 -14.206 1.00 21.30 C ATOM 645 CZ TYR A 37 7.953 2.072 -13.627 1.00 63.12 C ATOM 646 OH TYR A 37 8.879 2.706 -14.420 1.00 35.13 O ATOM 0 H TYR A 37 7.469 -1.031 -10.669 1.00 52.24 H new ATOM 0 HA TYR A 37 4.662 -1.531 -9.833 1.00 74.44 H new ATOM 0 HB2 TYR A 37 4.091 0.063 -11.687 1.00 70.33 H new ATOM 0 HB3 TYR A 37 4.856 0.758 -10.271 1.00 70.33 H new ATOM 0 HD1 TYR A 37 7.307 1.441 -10.404 1.00 3.40 H new ATOM 0 HD2 TYR A 37 5.103 0.308 -13.872 1.00 31.22 H new ATOM 0 HE1 TYR A 37 8.952 2.577 -11.815 1.00 75.30 H new ATOM 0 HE2 TYR A 37 6.763 1.431 -15.280 1.00 21.30 H new ATOM 0 HH TYR A 37 9.756 2.681 -13.983 1.00 35.13 H new ATOM 656 N LEU A 38 3.959 -2.789 -11.942 1.00 11.24 N ATOM 657 CA LEU A 38 3.599 -3.926 -12.821 1.00 14.13 C ATOM 658 C LEU A 38 4.051 -3.713 -14.286 1.00 5.14 C ATOM 659 O LEU A 38 4.304 -4.684 -15.008 1.00 62.42 O ATOM 660 CB LEU A 38 2.065 -4.177 -12.737 1.00 12.24 C ATOM 661 CG LEU A 38 1.515 -5.424 -13.512 1.00 52.55 C ATOM 662 CD1 LEU A 38 2.102 -6.749 -12.971 1.00 55.05 C ATOM 663 CD2 LEU A 38 -0.025 -5.451 -13.497 1.00 3.03 C ATOM 0 H LEU A 38 3.149 -2.347 -11.507 1.00 11.24 H new ATOM 0 HA LEU A 38 4.133 -4.808 -12.466 1.00 14.13 H new ATOM 0 HB2 LEU A 38 1.794 -4.282 -11.686 1.00 12.24 H new ATOM 0 HB3 LEU A 38 1.554 -3.290 -13.111 1.00 12.24 H new ATOM 0 HG LEU A 38 1.842 -5.329 -14.547 1.00 52.55 H new ATOM 0 HD11 LEU A 38 1.693 -7.586 -13.537 1.00 55.05 H new ATOM 0 HD12 LEU A 38 3.187 -6.736 -13.075 1.00 55.05 H new ATOM 0 HD13 LEU A 38 1.840 -6.860 -11.919 1.00 55.05 H new ATOM 0 HD21 LEU A 38 -0.379 -6.326 -14.042 1.00 3.03 H new ATOM 0 HD22 LEU A 38 -0.378 -5.497 -12.467 1.00 3.03 H new ATOM 0 HD23 LEU A 38 -0.409 -4.548 -13.972 1.00 3.03 H new ATOM 675 N GLU A 39 4.193 -2.435 -14.688 1.00 2.54 N ATOM 676 CA GLU A 39 4.586 -2.045 -16.061 1.00 44.00 C ATOM 677 C GLU A 39 6.086 -2.313 -16.346 1.00 35.31 C ATOM 678 O GLU A 39 6.551 -2.083 -17.459 1.00 41.41 O ATOM 679 CB GLU A 39 4.243 -0.549 -16.294 1.00 50.30 C ATOM 680 CG GLU A 39 2.771 -0.168 -16.020 1.00 10.30 C ATOM 681 CD GLU A 39 1.780 -0.835 -16.990 1.00 2.44 C ATOM 682 OE1 GLU A 39 1.399 -2.007 -16.769 1.00 51.01 O ATOM 683 OE2 GLU A 39 1.375 -0.185 -17.978 1.00 41.52 O ATOM 0 H GLU A 39 4.038 -1.639 -14.069 1.00 2.54 H new ATOM 0 HA GLU A 39 4.021 -2.664 -16.758 1.00 44.00 H new ATOM 0 HB2 GLU A 39 4.885 0.059 -15.657 1.00 50.30 H new ATOM 0 HB3 GLU A 39 4.483 -0.293 -17.326 1.00 50.30 H new ATOM 0 HG2 GLU A 39 2.514 -0.449 -14.999 1.00 10.30 H new ATOM 0 HG3 GLU A 39 2.664 0.915 -16.089 1.00 10.30 H new ATOM 690 N GLN A 40 6.829 -2.774 -15.328 1.00 64.53 N ATOM 691 CA GLN A 40 8.217 -3.255 -15.486 1.00 63.00 C ATOM 692 C GLN A 40 8.217 -4.784 -15.678 1.00 55.43 C ATOM 693 O GLN A 40 7.468 -5.497 -15.010 1.00 40.11 O ATOM 694 CB GLN A 40 9.073 -2.860 -14.248 1.00 20.14 C ATOM 695 CG GLN A 40 9.397 -1.350 -14.173 1.00 24.23 C ATOM 696 CD GLN A 40 10.290 -0.855 -15.332 1.00 60.03 C ATOM 697 OE1 GLN A 40 11.151 -1.575 -15.828 1.00 13.32 O ATOM 698 NE2 GLN A 40 10.081 0.367 -15.790 1.00 21.10 N ATOM 0 H GLN A 40 6.487 -2.825 -14.369 1.00 64.53 H new ATOM 0 HA GLN A 40 8.658 -2.788 -16.367 1.00 63.00 H new ATOM 0 HB2 GLN A 40 8.543 -3.154 -13.342 1.00 20.14 H new ATOM 0 HB3 GLN A 40 10.006 -3.422 -14.268 1.00 20.14 H new ATOM 0 HG2 GLN A 40 8.465 -0.785 -14.176 1.00 24.23 H new ATOM 0 HG3 GLN A 40 9.894 -1.139 -13.226 1.00 24.23 H new ATOM 0 HE21 GLN A 40 9.362 0.954 -15.368 1.00 21.10 H new ATOM 0 HE22 GLN A 40 10.639 0.723 -16.566 1.00 21.10 H new ATOM 707 N ALA A 41 9.067 -5.266 -16.604 1.00 20.55 N ATOM 708 CA ALA A 41 9.260 -6.713 -16.872 1.00 41.24 C ATOM 709 C ALA A 41 10.008 -7.396 -15.704 1.00 11.34 C ATOM 710 O ALA A 41 9.876 -8.605 -15.487 1.00 73.42 O ATOM 711 CB ALA A 41 10.029 -6.901 -18.195 1.00 41.22 C ATOM 0 H ALA A 41 9.644 -4.665 -17.192 1.00 20.55 H new ATOM 0 HA ALA A 41 8.282 -7.185 -16.961 1.00 41.24 H new ATOM 0 HB1 ALA A 41 10.168 -7.965 -18.387 1.00 41.22 H new ATOM 0 HB2 ALA A 41 9.461 -6.456 -19.012 1.00 41.22 H new ATOM 0 HB3 ALA A 41 11.002 -6.415 -18.122 1.00 41.22 H new ATOM 717 N SER A 42 10.791 -6.584 -14.970 1.00 72.32 N ATOM 718 CA SER A 42 11.545 -7.011 -13.775 1.00 31.40 C ATOM 719 C SER A 42 10.623 -7.344 -12.574 1.00 12.33 C ATOM 720 O SER A 42 11.082 -7.961 -11.609 1.00 40.20 O ATOM 721 CB SER A 42 12.541 -5.894 -13.400 1.00 54.11 C ATOM 722 OG SER A 42 11.890 -4.632 -13.329 1.00 35.14 O ATOM 0 H SER A 42 10.920 -5.597 -15.193 1.00 72.32 H new ATOM 0 HA SER A 42 12.076 -7.932 -14.015 1.00 31.40 H new ATOM 0 HB2 SER A 42 13.004 -6.122 -12.440 1.00 54.11 H new ATOM 0 HB3 SER A 42 13.342 -5.853 -14.139 1.00 54.11 H new ATOM 0 HG SER A 42 12.542 -3.941 -13.088 1.00 35.14 H new ATOM 728 N PHE A 43 9.347 -6.917 -12.652 1.00 24.30 N ATOM 729 CA PHE A 43 8.339 -7.121 -11.594 1.00 51.50 C ATOM 730 C PHE A 43 8.101 -8.639 -11.350 1.00 64.21 C ATOM 731 O PHE A 43 7.771 -9.362 -12.293 1.00 33.23 O ATOM 732 CB PHE A 43 7.027 -6.403 -12.008 1.00 34.40 C ATOM 733 CG PHE A 43 6.023 -6.248 -10.878 1.00 75.32 C ATOM 734 CD1 PHE A 43 6.188 -5.241 -9.934 1.00 32.13 C ATOM 735 CD2 PHE A 43 4.925 -7.093 -10.754 1.00 13.42 C ATOM 736 CE1 PHE A 43 5.293 -5.083 -8.907 1.00 10.33 C ATOM 737 CE2 PHE A 43 4.029 -6.929 -9.720 1.00 13.34 C ATOM 738 CZ PHE A 43 4.219 -5.923 -8.796 1.00 35.25 C ATOM 0 H PHE A 43 8.984 -6.415 -13.462 1.00 24.30 H new ATOM 0 HA PHE A 43 8.697 -6.696 -10.656 1.00 51.50 H new ATOM 0 HB2 PHE A 43 7.273 -5.416 -12.399 1.00 34.40 H new ATOM 0 HB3 PHE A 43 6.561 -6.961 -12.820 1.00 34.40 H new ATOM 0 HD1 PHE A 43 7.033 -4.573 -10.010 1.00 32.13 H new ATOM 0 HD2 PHE A 43 4.774 -7.884 -11.474 1.00 13.42 H new ATOM 0 HE1 PHE A 43 5.436 -4.294 -8.184 1.00 10.33 H new ATOM 0 HE2 PHE A 43 3.178 -7.588 -9.633 1.00 13.34 H new ATOM 0 HZ PHE A 43 3.519 -5.798 -7.983 1.00 35.25 H new ATOM 748 N PRO A 44 8.234 -9.137 -10.069 1.00 53.52 N ATOM 749 CA PRO A 44 8.335 -10.589 -9.774 1.00 2.41 C ATOM 750 C PRO A 44 6.978 -11.335 -9.719 1.00 24.01 C ATOM 751 O PRO A 44 6.946 -12.535 -9.416 1.00 62.33 O ATOM 752 CB PRO A 44 9.033 -10.586 -8.396 1.00 12.21 C ATOM 753 CG PRO A 44 8.496 -9.361 -7.715 1.00 13.32 C ATOM 754 CD PRO A 44 8.273 -8.330 -8.811 1.00 11.02 C ATOM 0 HA PRO A 44 8.865 -11.126 -10.560 1.00 2.41 H new ATOM 0 HB2 PRO A 44 8.803 -11.489 -7.831 1.00 12.21 H new ATOM 0 HB3 PRO A 44 10.117 -10.542 -8.499 1.00 12.21 H new ATOM 0 HG2 PRO A 44 7.565 -9.582 -7.193 1.00 13.32 H new ATOM 0 HG3 PRO A 44 9.199 -8.990 -6.969 1.00 13.32 H new ATOM 0 HD2 PRO A 44 7.343 -7.782 -8.660 1.00 11.02 H new ATOM 0 HD3 PRO A 44 9.076 -7.593 -8.835 1.00 11.02 H new ATOM 762 N MET A 45 5.870 -10.625 -9.995 1.00 62.35 N ATOM 763 CA MET A 45 4.510 -11.207 -9.990 1.00 1.32 C ATOM 764 C MET A 45 3.832 -10.996 -11.353 1.00 75.40 C ATOM 765 O MET A 45 4.172 -10.062 -12.092 1.00 2.32 O ATOM 766 CB MET A 45 3.639 -10.573 -8.863 1.00 75.41 C ATOM 767 CG MET A 45 4.075 -10.906 -7.433 1.00 51.40 C ATOM 768 SD MET A 45 2.953 -10.234 -6.187 1.00 54.21 S ATOM 769 CE MET A 45 3.078 -8.477 -6.506 1.00 74.42 C ATOM 0 H MET A 45 5.889 -9.632 -10.228 1.00 62.35 H new ATOM 0 HA MET A 45 4.602 -12.276 -9.799 1.00 1.32 H new ATOM 0 HB2 MET A 45 3.648 -9.490 -8.985 1.00 75.41 H new ATOM 0 HB3 MET A 45 2.608 -10.900 -8.996 1.00 75.41 H new ATOM 0 HG2 MET A 45 4.133 -11.988 -7.318 1.00 51.40 H new ATOM 0 HG3 MET A 45 5.078 -10.514 -7.263 1.00 51.40 H new ATOM 0 HE1 MET A 45 2.678 -7.924 -5.656 1.00 74.42 H new ATOM 0 HE2 MET A 45 4.124 -8.208 -6.655 1.00 74.42 H new ATOM 0 HE3 MET A 45 2.508 -8.228 -7.401 1.00 74.42 H new ATOM 779 N ASN A 46 2.868 -11.882 -11.669 1.00 13.42 N ATOM 780 CA ASN A 46 1.987 -11.747 -12.847 1.00 1.54 C ATOM 781 C ASN A 46 0.889 -10.695 -12.567 1.00 60.21 C ATOM 782 O ASN A 46 0.720 -10.274 -11.422 1.00 24.53 O ATOM 783 CB ASN A 46 1.363 -13.123 -13.215 1.00 51.23 C ATOM 784 CG ASN A 46 2.392 -14.148 -13.707 1.00 44.31 C ATOM 785 OD1 ASN A 46 3.428 -13.795 -14.271 1.00 12.45 O ATOM 786 ND2 ASN A 46 2.107 -15.421 -13.515 1.00 13.43 N ATOM 0 H ASN A 46 2.677 -12.715 -11.113 1.00 13.42 H new ATOM 0 HA ASN A 46 2.578 -11.408 -13.698 1.00 1.54 H new ATOM 0 HB2 ASN A 46 0.849 -13.526 -12.342 1.00 51.23 H new ATOM 0 HB3 ASN A 46 0.609 -12.976 -13.989 1.00 51.23 H new ATOM 0 HD21 ASN A 46 2.752 -16.142 -13.837 1.00 13.43 H new ATOM 0 HD22 ASN A 46 1.241 -15.684 -13.045 1.00 13.43 H new ATOM 793 N GLU A 47 0.130 -10.314 -13.617 1.00 43.41 N ATOM 794 CA GLU A 47 -0.825 -9.179 -13.581 1.00 2.12 C ATOM 795 C GLU A 47 -1.976 -9.402 -12.580 1.00 1.32 C ATOM 796 O GLU A 47 -2.135 -8.631 -11.627 1.00 74.14 O ATOM 797 CB GLU A 47 -1.400 -8.920 -15.003 1.00 1.23 C ATOM 798 CG GLU A 47 -0.338 -8.615 -16.076 1.00 22.24 C ATOM 799 CD GLU A 47 -0.959 -8.418 -17.461 1.00 65.34 C ATOM 800 OE1 GLU A 47 -1.701 -7.431 -17.647 1.00 32.23 O ATOM 801 OE2 GLU A 47 -0.735 -9.256 -18.362 1.00 62.43 O ATOM 0 H GLU A 47 0.161 -10.787 -14.520 1.00 43.41 H new ATOM 0 HA GLU A 47 -0.269 -8.305 -13.241 1.00 2.12 H new ATOM 0 HB2 GLU A 47 -1.972 -9.794 -15.314 1.00 1.23 H new ATOM 0 HB3 GLU A 47 -2.097 -8.084 -14.952 1.00 1.23 H new ATOM 0 HG2 GLU A 47 0.213 -7.717 -15.795 1.00 22.24 H new ATOM 0 HG3 GLU A 47 0.382 -9.432 -16.115 1.00 22.24 H new ATOM 808 N THR A 48 -2.769 -10.460 -12.819 1.00 71.22 N ATOM 809 CA THR A 48 -3.950 -10.793 -12.010 1.00 13.02 C ATOM 810 C THR A 48 -3.539 -11.191 -10.576 1.00 74.34 C ATOM 811 O THR A 48 -4.218 -10.846 -9.614 1.00 22.33 O ATOM 812 CB THR A 48 -4.767 -11.955 -12.679 1.00 11.31 C ATOM 813 OG1 THR A 48 -4.955 -11.664 -14.070 1.00 13.43 O ATOM 814 CG2 THR A 48 -6.143 -12.175 -12.019 1.00 31.24 C ATOM 0 H THR A 48 -2.606 -11.112 -13.586 1.00 71.22 H new ATOM 0 HA THR A 48 -4.582 -9.906 -11.955 1.00 13.02 H new ATOM 0 HB THR A 48 -4.191 -12.871 -12.546 1.00 11.31 H new ATOM 0 HG1 THR A 48 -5.463 -12.389 -14.490 1.00 13.43 H new ATOM 0 HG21 THR A 48 -6.662 -12.990 -12.523 1.00 31.24 H new ATOM 0 HG22 THR A 48 -6.006 -12.427 -10.967 1.00 31.24 H new ATOM 0 HG23 THR A 48 -6.735 -11.263 -12.099 1.00 31.24 H new ATOM 822 N GLU A 49 -2.393 -11.894 -10.460 1.00 23.31 N ATOM 823 CA GLU A 49 -1.841 -12.327 -9.159 1.00 54.30 C ATOM 824 C GLU A 49 -1.351 -11.120 -8.327 1.00 32.14 C ATOM 825 O GLU A 49 -1.399 -11.149 -7.094 1.00 32.11 O ATOM 826 CB GLU A 49 -0.699 -13.356 -9.357 1.00 53.42 C ATOM 827 CG GLU A 49 -1.137 -14.694 -9.995 1.00 71.11 C ATOM 828 CD GLU A 49 -0.009 -15.735 -9.994 1.00 63.05 C ATOM 829 OE1 GLU A 49 0.822 -15.721 -10.926 1.00 32.41 O ATOM 830 OE2 GLU A 49 0.082 -16.549 -9.040 1.00 24.22 O ATOM 0 H GLU A 49 -1.827 -12.176 -11.260 1.00 23.31 H new ATOM 0 HA GLU A 49 -2.645 -12.811 -8.604 1.00 54.30 H new ATOM 0 HB2 GLU A 49 0.072 -12.906 -9.983 1.00 53.42 H new ATOM 0 HB3 GLU A 49 -0.243 -13.563 -8.389 1.00 53.42 H new ATOM 0 HG2 GLU A 49 -1.995 -15.090 -9.451 1.00 71.11 H new ATOM 0 HG3 GLU A 49 -1.464 -14.516 -11.020 1.00 71.11 H new ATOM 837 N TYR A 50 -0.882 -10.064 -9.026 1.00 53.25 N ATOM 838 CA TYR A 50 -0.558 -8.765 -8.408 1.00 45.51 C ATOM 839 C TYR A 50 -1.840 -8.087 -7.883 1.00 22.41 C ATOM 840 O TYR A 50 -1.822 -7.455 -6.822 1.00 11.31 O ATOM 841 CB TYR A 50 0.203 -7.851 -9.429 1.00 63.00 C ATOM 842 CG TYR A 50 0.150 -6.351 -9.124 1.00 52.33 C ATOM 843 CD1 TYR A 50 0.856 -5.798 -8.051 1.00 31.12 C ATOM 844 CD2 TYR A 50 -0.635 -5.491 -9.897 1.00 1.14 C ATOM 845 CE1 TYR A 50 0.770 -4.454 -7.763 1.00 74.32 C ATOM 846 CE2 TYR A 50 -0.710 -4.149 -9.616 1.00 44.44 C ATOM 847 CZ TYR A 50 -0.015 -3.640 -8.550 1.00 54.00 C ATOM 848 OH TYR A 50 -0.145 -2.310 -8.241 1.00 22.53 O ATOM 0 H TYR A 50 -0.718 -10.090 -10.032 1.00 53.25 H new ATOM 0 HA TYR A 50 0.102 -8.930 -7.556 1.00 45.51 H new ATOM 0 HB2 TYR A 50 1.247 -8.162 -9.463 1.00 63.00 H new ATOM 0 HB3 TYR A 50 -0.212 -8.019 -10.423 1.00 63.00 H new ATOM 0 HD1 TYR A 50 1.478 -6.434 -7.439 1.00 31.12 H new ATOM 0 HD2 TYR A 50 -1.193 -5.890 -10.731 1.00 1.14 H new ATOM 0 HE1 TYR A 50 1.314 -4.041 -6.926 1.00 74.32 H new ATOM 0 HE2 TYR A 50 -1.313 -3.498 -10.232 1.00 44.44 H new ATOM 0 HH TYR A 50 0.482 -2.078 -7.525 1.00 22.53 H new ATOM 858 N GLN A 51 -2.940 -8.228 -8.640 1.00 32.24 N ATOM 859 CA GLN A 51 -4.250 -7.660 -8.271 1.00 23.30 C ATOM 860 C GLN A 51 -4.812 -8.364 -7.012 1.00 25.45 C ATOM 861 O GLN A 51 -5.372 -7.706 -6.126 1.00 73.53 O ATOM 862 CB GLN A 51 -5.232 -7.766 -9.478 1.00 35.40 C ATOM 863 CG GLN A 51 -6.621 -7.124 -9.247 1.00 71.10 C ATOM 864 CD GLN A 51 -6.577 -5.624 -8.917 1.00 40.13 C ATOM 865 OE1 GLN A 51 -5.712 -4.889 -9.381 1.00 10.04 O ATOM 866 NE2 GLN A 51 -7.499 -5.161 -8.098 1.00 51.50 N ATOM 0 H GLN A 51 -2.948 -8.738 -9.524 1.00 32.24 H new ATOM 0 HA GLN A 51 -4.129 -6.605 -8.026 1.00 23.30 H new ATOM 0 HB2 GLN A 51 -4.770 -7.295 -10.346 1.00 35.40 H new ATOM 0 HB3 GLN A 51 -5.371 -8.819 -9.723 1.00 35.40 H new ATOM 0 HG2 GLN A 51 -7.229 -7.270 -10.140 1.00 71.10 H new ATOM 0 HG3 GLN A 51 -7.120 -7.649 -8.432 1.00 71.10 H new ATOM 0 HE21 GLN A 51 -8.210 -5.789 -7.723 1.00 51.50 H new ATOM 0 HE22 GLN A 51 -7.502 -4.174 -7.839 1.00 51.50 H new ATOM 875 N GLU A 52 -4.606 -9.700 -6.928 1.00 74.22 N ATOM 876 CA GLU A 52 -5.000 -10.501 -5.753 1.00 70.22 C ATOM 877 C GLU A 52 -4.100 -10.178 -4.546 1.00 4.10 C ATOM 878 O GLU A 52 -4.542 -10.270 -3.399 1.00 25.52 O ATOM 879 CB GLU A 52 -4.938 -12.021 -6.068 1.00 24.34 C ATOM 880 CG GLU A 52 -5.738 -12.479 -7.306 1.00 53.32 C ATOM 881 CD GLU A 52 -7.217 -12.047 -7.291 1.00 21.30 C ATOM 882 OE1 GLU A 52 -8.028 -12.706 -6.603 1.00 72.53 O ATOM 883 OE2 GLU A 52 -7.571 -11.050 -7.967 1.00 31.32 O ATOM 0 H GLU A 52 -4.165 -10.246 -7.669 1.00 74.22 H new ATOM 0 HA GLU A 52 -6.029 -10.240 -5.505 1.00 70.22 H new ATOM 0 HB2 GLU A 52 -3.894 -12.303 -6.208 1.00 24.34 H new ATOM 0 HB3 GLU A 52 -5.302 -12.569 -5.199 1.00 24.34 H new ATOM 0 HG2 GLU A 52 -5.262 -12.079 -8.202 1.00 53.32 H new ATOM 0 HG3 GLU A 52 -5.688 -13.566 -7.377 1.00 53.32 H new ATOM 890 N HIS A 53 -2.829 -9.810 -4.833 1.00 64.13 N ATOM 891 CA HIS A 53 -1.863 -9.353 -3.814 1.00 72.22 C ATOM 892 C HIS A 53 -2.346 -8.041 -3.173 1.00 52.22 C ATOM 893 O HIS A 53 -2.345 -7.917 -1.949 1.00 65.42 O ATOM 894 CB HIS A 53 -0.445 -9.166 -4.439 1.00 13.20 C ATOM 895 CG HIS A 53 0.524 -8.358 -3.596 1.00 54.04 C ATOM 896 ND1 HIS A 53 1.203 -8.874 -2.514 1.00 21.55 N ATOM 897 CD2 HIS A 53 0.901 -7.052 -3.673 1.00 31.12 C ATOM 898 CE1 HIS A 53 1.950 -7.933 -1.973 1.00 20.33 C ATOM 899 NE2 HIS A 53 1.781 -6.823 -2.652 1.00 23.50 N ATOM 0 H HIS A 53 -2.447 -9.823 -5.779 1.00 64.13 H new ATOM 0 HA HIS A 53 -1.794 -10.116 -3.039 1.00 72.22 H new ATOM 0 HB2 HIS A 53 -0.012 -10.149 -4.622 1.00 13.20 H new ATOM 0 HB3 HIS A 53 -0.553 -8.680 -5.409 1.00 13.20 H new ATOM 0 HD2 HIS A 53 0.567 -6.331 -4.405 1.00 31.12 H new ATOM 0 HE1 HIS A 53 2.594 -8.055 -1.114 1.00 20.33 H new ATOM 0 HE2 HIS A 53 2.234 -5.932 -2.450 1.00 23.50 H new ATOM 908 N LEU A 54 -2.745 -7.071 -4.022 1.00 1.23 N ATOM 909 CA LEU A 54 -3.267 -5.768 -3.569 1.00 33.21 C ATOM 910 C LEU A 54 -4.546 -5.950 -2.751 1.00 64.34 C ATOM 911 O LEU A 54 -4.788 -5.220 -1.803 1.00 63.12 O ATOM 912 CB LEU A 54 -3.597 -4.849 -4.770 1.00 13.44 C ATOM 913 CG LEU A 54 -2.415 -4.355 -5.638 1.00 64.53 C ATOM 914 CD1 LEU A 54 -2.950 -3.433 -6.744 1.00 14.14 C ATOM 915 CD2 LEU A 54 -1.333 -3.649 -4.793 1.00 35.32 C ATOM 0 H LEU A 54 -2.714 -7.170 -5.037 1.00 1.23 H new ATOM 0 HA LEU A 54 -2.490 -5.311 -2.957 1.00 33.21 H new ATOM 0 HB2 LEU A 54 -4.292 -5.381 -5.420 1.00 13.44 H new ATOM 0 HB3 LEU A 54 -4.123 -3.974 -4.389 1.00 13.44 H new ATOM 0 HG LEU A 54 -1.933 -5.220 -6.093 1.00 64.53 H new ATOM 0 HD11 LEU A 54 -2.121 -3.082 -7.358 1.00 14.14 H new ATOM 0 HD12 LEU A 54 -3.655 -3.983 -7.367 1.00 14.14 H new ATOM 0 HD13 LEU A 54 -3.454 -2.578 -6.293 1.00 14.14 H new ATOM 0 HD21 LEU A 54 -0.522 -3.319 -5.442 1.00 35.32 H new ATOM 0 HD22 LEU A 54 -1.770 -2.786 -4.290 1.00 35.32 H new ATOM 0 HD23 LEU A 54 -0.942 -4.343 -4.049 1.00 35.32 H new ATOM 927 N ASP A 55 -5.370 -6.913 -3.196 1.00 11.41 N ATOM 928 CA ASP A 55 -6.679 -7.212 -2.601 1.00 73.02 C ATOM 929 C ASP A 55 -6.509 -7.924 -1.247 1.00 63.32 C ATOM 930 O ASP A 55 -7.338 -7.781 -0.350 1.00 32.43 O ATOM 931 CB ASP A 55 -7.509 -8.050 -3.619 1.00 32.15 C ATOM 932 CG ASP A 55 -9.013 -8.078 -3.312 1.00 51.21 C ATOM 933 OD1 ASP A 55 -9.686 -7.042 -3.521 1.00 62.51 O ATOM 934 OD2 ASP A 55 -9.536 -9.126 -2.887 1.00 30.34 O ATOM 0 H ASP A 55 -5.141 -7.512 -3.989 1.00 11.41 H new ATOM 0 HA ASP A 55 -7.222 -6.290 -2.394 1.00 73.02 H new ATOM 0 HB2 ASP A 55 -7.359 -7.644 -4.619 1.00 32.15 H new ATOM 0 HB3 ASP A 55 -7.130 -9.072 -3.630 1.00 32.15 H new ATOM 939 N SER A 56 -5.394 -8.676 -1.122 1.00 71.15 N ATOM 940 CA SER A 56 -4.963 -9.301 0.140 1.00 24.25 C ATOM 941 C SER A 56 -4.479 -8.223 1.129 1.00 64.43 C ATOM 942 O SER A 56 -4.812 -8.252 2.328 1.00 65.24 O ATOM 943 CB SER A 56 -3.839 -10.322 -0.132 1.00 31.14 C ATOM 944 OG SER A 56 -3.434 -10.978 1.058 1.00 73.52 O ATOM 0 H SER A 56 -4.765 -8.866 -1.902 1.00 71.15 H new ATOM 0 HA SER A 56 -5.811 -9.823 0.583 1.00 24.25 H new ATOM 0 HB2 SER A 56 -4.184 -11.060 -0.856 1.00 31.14 H new ATOM 0 HB3 SER A 56 -2.984 -9.813 -0.577 1.00 31.14 H new ATOM 0 HG SER A 56 -2.722 -11.619 0.852 1.00 73.52 H new ATOM 950 N VAL A 57 -3.701 -7.264 0.590 1.00 44.12 N ATOM 951 CA VAL A 57 -3.202 -6.112 1.345 1.00 32.31 C ATOM 952 C VAL A 57 -4.381 -5.276 1.862 1.00 5.43 C ATOM 953 O VAL A 57 -4.450 -4.957 3.045 1.00 43.44 O ATOM 954 CB VAL A 57 -2.233 -5.226 0.461 1.00 45.55 C ATOM 955 CG1 VAL A 57 -1.936 -3.865 1.123 1.00 21.24 C ATOM 956 CG2 VAL A 57 -0.914 -5.980 0.156 1.00 11.01 C ATOM 0 H VAL A 57 -3.403 -7.272 -0.386 1.00 44.12 H new ATOM 0 HA VAL A 57 -2.629 -6.479 2.196 1.00 32.31 H new ATOM 0 HB VAL A 57 -2.747 -5.031 -0.480 1.00 45.55 H new ATOM 0 HG11 VAL A 57 -1.268 -3.288 0.484 1.00 21.24 H new ATOM 0 HG12 VAL A 57 -2.868 -3.317 1.262 1.00 21.24 H new ATOM 0 HG13 VAL A 57 -1.462 -4.027 2.091 1.00 21.24 H new ATOM 0 HG21 VAL A 57 -0.266 -5.349 -0.453 1.00 11.01 H new ATOM 0 HG22 VAL A 57 -0.409 -6.223 1.091 1.00 11.01 H new ATOM 0 HG23 VAL A 57 -1.137 -6.899 -0.385 1.00 11.01 H new ATOM 966 N ALA A 58 -5.332 -4.997 0.960 1.00 34.14 N ATOM 967 CA ALA A 58 -6.492 -4.144 1.237 1.00 3.33 C ATOM 968 C ALA A 58 -7.495 -4.829 2.184 1.00 53.02 C ATOM 969 O ALA A 58 -8.274 -4.146 2.856 1.00 71.32 O ATOM 970 CB ALA A 58 -7.149 -3.738 -0.081 1.00 73.41 C ATOM 0 H ALA A 58 -5.316 -5.362 0.008 1.00 34.14 H new ATOM 0 HA ALA A 58 -6.150 -3.247 1.752 1.00 3.33 H new ATOM 0 HB1 ALA A 58 -8.012 -3.104 0.123 1.00 73.41 H new ATOM 0 HB2 ALA A 58 -6.432 -3.190 -0.691 1.00 73.41 H new ATOM 0 HB3 ALA A 58 -7.473 -4.631 -0.616 1.00 73.41 H new ATOM 976 N ASN A 59 -7.467 -6.182 2.210 1.00 22.33 N ATOM 977 CA ASN A 59 -8.235 -6.996 3.176 1.00 32.34 C ATOM 978 C ASN A 59 -7.700 -6.754 4.597 1.00 54.43 C ATOM 979 O ASN A 59 -8.473 -6.566 5.546 1.00 50.55 O ATOM 980 CB ASN A 59 -8.133 -8.502 2.808 1.00 71.50 C ATOM 981 CG ASN A 59 -8.956 -9.421 3.724 1.00 62.23 C ATOM 982 OD1 ASN A 59 -10.065 -9.083 4.140 1.00 62.40 O ATOM 983 ND2 ASN A 59 -8.407 -10.575 4.064 1.00 52.22 N ATOM 0 H ASN A 59 -6.911 -6.738 1.561 1.00 22.33 H new ATOM 0 HA ASN A 59 -9.284 -6.702 3.138 1.00 32.34 H new ATOM 0 HB2 ASN A 59 -8.465 -8.638 1.779 1.00 71.50 H new ATOM 0 HB3 ASN A 59 -7.087 -8.806 2.848 1.00 71.50 H new ATOM 0 HD21 ASN A 59 -8.904 -11.212 4.687 1.00 52.22 H new ATOM 0 HD22 ASN A 59 -7.487 -10.828 3.704 1.00 52.22 H new ATOM 990 N TYR A 60 -6.355 -6.743 4.714 1.00 33.32 N ATOM 991 CA TYR A 60 -5.662 -6.398 5.968 1.00 72.31 C ATOM 992 C TYR A 60 -5.918 -4.935 6.348 1.00 75.11 C ATOM 993 O TYR A 60 -6.116 -4.630 7.517 1.00 4.35 O ATOM 994 CB TYR A 60 -4.130 -6.654 5.856 1.00 73.12 C ATOM 995 CG TYR A 60 -3.694 -8.087 6.161 1.00 2.43 C ATOM 996 CD1 TYR A 60 -3.967 -8.646 7.410 1.00 23.05 C ATOM 997 CD2 TYR A 60 -2.985 -8.862 5.239 1.00 61.30 C ATOM 998 CE1 TYR A 60 -3.555 -9.917 7.727 1.00 53.40 C ATOM 999 CE2 TYR A 60 -2.575 -10.143 5.552 1.00 20.15 C ATOM 1000 CZ TYR A 60 -2.859 -10.665 6.797 1.00 0.14 C ATOM 1001 OH TYR A 60 -2.436 -11.937 7.118 1.00 35.25 O ATOM 0 H TYR A 60 -5.725 -6.972 3.945 1.00 33.32 H new ATOM 0 HA TYR A 60 -6.064 -7.042 6.750 1.00 72.31 H new ATOM 0 HB2 TYR A 60 -3.806 -6.398 4.847 1.00 73.12 H new ATOM 0 HB3 TYR A 60 -3.613 -5.979 6.538 1.00 73.12 H new ATOM 0 HD1 TYR A 60 -4.513 -8.068 8.141 1.00 23.05 H new ATOM 0 HD2 TYR A 60 -2.754 -8.453 4.267 1.00 61.30 H new ATOM 0 HE1 TYR A 60 -3.774 -10.331 8.700 1.00 53.40 H new ATOM 0 HE2 TYR A 60 -2.035 -10.733 4.826 1.00 20.15 H new ATOM 0 HH TYR A 60 -1.963 -12.327 6.354 1.00 35.25 H new ATOM 1011 N LEU A 61 -5.914 -4.044 5.345 1.00 73.21 N ATOM 1012 CA LEU A 61 -6.137 -2.605 5.554 1.00 41.21 C ATOM 1013 C LEU A 61 -7.550 -2.350 6.127 1.00 52.35 C ATOM 1014 O LEU A 61 -7.726 -1.513 7.012 1.00 22.31 O ATOM 1015 CB LEU A 61 -5.915 -1.821 4.230 1.00 63.12 C ATOM 1016 CG LEU A 61 -4.466 -1.840 3.647 1.00 31.21 C ATOM 1017 CD1 LEU A 61 -4.384 -1.035 2.330 1.00 31.33 C ATOM 1018 CD2 LEU A 61 -3.425 -1.340 4.676 1.00 72.40 C ATOM 0 H LEU A 61 -5.757 -4.299 4.370 1.00 73.21 H new ATOM 0 HA LEU A 61 -5.412 -2.243 6.283 1.00 41.21 H new ATOM 0 HB2 LEU A 61 -6.592 -2.224 3.477 1.00 63.12 H new ATOM 0 HB3 LEU A 61 -6.203 -0.783 4.395 1.00 63.12 H new ATOM 0 HG LEU A 61 -4.222 -2.878 3.421 1.00 31.21 H new ATOM 0 HD11 LEU A 61 -3.364 -1.066 1.948 1.00 31.33 H new ATOM 0 HD12 LEU A 61 -5.061 -1.470 1.595 1.00 31.33 H new ATOM 0 HD13 LEU A 61 -4.670 -0.000 2.518 1.00 31.33 H new ATOM 0 HD21 LEU A 61 -2.430 -1.369 4.231 1.00 72.40 H new ATOM 0 HD22 LEU A 61 -3.663 -0.317 4.966 1.00 72.40 H new ATOM 0 HD23 LEU A 61 -3.447 -1.982 5.557 1.00 72.40 H new ATOM 1030 N HIS A 62 -8.537 -3.110 5.625 1.00 11.14 N ATOM 1031 CA HIS A 62 -9.925 -3.075 6.127 1.00 31.11 C ATOM 1032 C HIS A 62 -9.987 -3.578 7.582 1.00 33.44 C ATOM 1033 O HIS A 62 -10.560 -2.910 8.448 1.00 22.20 O ATOM 1034 CB HIS A 62 -10.848 -3.933 5.215 1.00 54.15 C ATOM 1035 CG HIS A 62 -12.274 -4.092 5.708 1.00 11.21 C ATOM 1036 ND1 HIS A 62 -12.938 -5.299 5.704 1.00 75.21 N ATOM 1037 CD2 HIS A 62 -13.156 -3.198 6.230 1.00 5.31 C ATOM 1038 CE1 HIS A 62 -14.150 -5.140 6.188 1.00 11.03 C ATOM 1039 NE2 HIS A 62 -14.309 -3.879 6.514 1.00 23.22 N ATOM 0 H HIS A 62 -8.397 -3.768 4.858 1.00 11.14 H new ATOM 0 HA HIS A 62 -10.276 -2.043 6.106 1.00 31.11 H new ATOM 0 HB2 HIS A 62 -10.871 -3.483 4.222 1.00 54.15 H new ATOM 0 HB3 HIS A 62 -10.406 -4.923 5.106 1.00 54.15 H new ATOM 0 HD2 HIS A 62 -12.979 -2.145 6.391 1.00 5.31 H new ATOM 0 HE1 HIS A 62 -14.891 -5.918 6.299 1.00 11.03 H new ATOM 0 HE2 HIS A 62 -15.154 -3.472 6.914 1.00 23.22 H new ATOM 1048 N ALA A 63 -9.368 -4.738 7.830 1.00 43.35 N ATOM 1049 CA ALA A 63 -9.415 -5.422 9.138 1.00 1.44 C ATOM 1050 C ALA A 63 -8.760 -4.589 10.257 1.00 61.42 C ATOM 1051 O ALA A 63 -9.289 -4.494 11.371 1.00 11.42 O ATOM 1052 CB ALA A 63 -8.731 -6.789 9.016 1.00 60.13 C ATOM 0 H ALA A 63 -8.817 -5.235 7.130 1.00 43.35 H new ATOM 0 HA ALA A 63 -10.461 -5.552 9.415 1.00 1.44 H new ATOM 0 HB1 ALA A 63 -8.763 -7.299 9.979 1.00 60.13 H new ATOM 0 HB2 ALA A 63 -9.250 -7.390 8.270 1.00 60.13 H new ATOM 0 HB3 ALA A 63 -7.693 -6.651 8.712 1.00 60.13 H new ATOM 1058 N LEU A 64 -7.600 -4.004 9.934 1.00 41.24 N ATOM 1059 CA LEU A 64 -6.798 -3.206 10.883 1.00 64.45 C ATOM 1060 C LEU A 64 -7.344 -1.767 11.021 1.00 70.02 C ATOM 1061 O LEU A 64 -7.030 -1.077 11.995 1.00 14.53 O ATOM 1062 CB LEU A 64 -5.318 -3.153 10.406 1.00 71.31 C ATOM 1063 CG LEU A 64 -4.569 -4.523 10.287 1.00 62.32 C ATOM 1064 CD1 LEU A 64 -3.165 -4.336 9.663 1.00 33.15 C ATOM 1065 CD2 LEU A 64 -4.486 -5.247 11.650 1.00 43.01 C ATOM 0 H LEU A 64 -7.185 -4.068 9.004 1.00 41.24 H new ATOM 0 HA LEU A 64 -6.860 -3.688 11.859 1.00 64.45 H new ATOM 0 HB2 LEU A 64 -5.292 -2.665 9.432 1.00 71.31 H new ATOM 0 HB3 LEU A 64 -4.761 -2.519 11.095 1.00 71.31 H new ATOM 0 HG LEU A 64 -5.150 -5.158 9.619 1.00 62.32 H new ATOM 0 HD11 LEU A 64 -2.667 -5.303 9.592 1.00 33.15 H new ATOM 0 HD12 LEU A 64 -3.264 -3.905 8.667 1.00 33.15 H new ATOM 0 HD13 LEU A 64 -2.574 -3.669 10.290 1.00 33.15 H new ATOM 0 HD21 LEU A 64 -3.960 -6.194 11.528 1.00 43.01 H new ATOM 0 HD22 LEU A 64 -3.947 -4.622 12.362 1.00 43.01 H new ATOM 0 HD23 LEU A 64 -5.492 -5.437 12.023 1.00 43.01 H new ATOM 1077 N GLY A 65 -8.165 -1.331 10.050 1.00 34.30 N ATOM 1078 CA GLY A 65 -8.550 0.079 9.930 1.00 72.22 C ATOM 1079 C GLY A 65 -7.445 0.927 9.291 1.00 42.32 C ATOM 1080 O GLY A 65 -7.532 2.161 9.260 1.00 34.23 O ATOM 0 H GLY A 65 -8.573 -1.938 9.339 1.00 34.30 H new ATOM 0 HA2 GLY A 65 -9.458 0.157 9.331 1.00 72.22 H new ATOM 0 HA3 GLY A 65 -8.785 0.475 10.918 1.00 72.22 H new ATOM 1084 N GLY A 66 -6.422 0.233 8.743 1.00 71.03 N ATOM 1085 CA GLY A 66 -5.274 0.871 8.105 1.00 65.30 C ATOM 1086 C GLY A 66 -5.565 1.342 6.689 1.00 11.31 C ATOM 1087 O GLY A 66 -4.700 1.949 6.065 1.00 42.15 O ATOM 0 H GLY A 66 -6.380 -0.786 8.737 1.00 71.03 H new ATOM 0 HA2 GLY A 66 -4.958 1.723 8.707 1.00 65.30 H new ATOM 0 HA3 GLY A 66 -4.441 0.169 8.084 1.00 65.30 H new ATOM 1091 N ALA A 67 -6.790 1.065 6.191 1.00 71.32 N ATOM 1092 CA ALA A 67 -7.242 1.492 4.859 1.00 64.32 C ATOM 1093 C ALA A 67 -7.280 3.011 4.757 1.00 74.55 C ATOM 1094 O ALA A 67 -6.706 3.595 3.836 1.00 42.22 O ATOM 1095 CB ALA A 67 -8.616 0.887 4.550 1.00 24.44 C ATOM 0 H ALA A 67 -7.492 0.536 6.708 1.00 71.32 H new ATOM 0 HA ALA A 67 -6.529 1.129 4.119 1.00 64.32 H new ATOM 0 HB1 ALA A 67 -8.942 1.210 3.561 1.00 24.44 H new ATOM 0 HB2 ALA A 67 -8.548 -0.201 4.573 1.00 24.44 H new ATOM 0 HB3 ALA A 67 -9.337 1.221 5.296 1.00 24.44 H new ATOM 1101 N VAL A 68 -7.910 3.631 5.770 1.00 23.41 N ATOM 1102 CA VAL A 68 -8.040 5.090 5.874 1.00 43.41 C ATOM 1103 C VAL A 68 -6.653 5.746 6.023 1.00 63.22 C ATOM 1104 O VAL A 68 -6.443 6.853 5.547 1.00 43.34 O ATOM 1105 CB VAL A 68 -8.963 5.487 7.087 1.00 64.41 C ATOM 1106 CG1 VAL A 68 -9.176 7.016 7.177 1.00 24.10 C ATOM 1107 CG2 VAL A 68 -10.319 4.755 7.007 1.00 23.22 C ATOM 0 H VAL A 68 -8.345 3.128 6.543 1.00 23.41 H new ATOM 0 HA VAL A 68 -8.503 5.454 4.957 1.00 43.41 H new ATOM 0 HB VAL A 68 -8.450 5.175 7.997 1.00 64.41 H new ATOM 0 HG11 VAL A 68 -9.818 7.244 8.027 1.00 24.10 H new ATOM 0 HG12 VAL A 68 -8.213 7.510 7.306 1.00 24.10 H new ATOM 0 HG13 VAL A 68 -9.647 7.372 6.261 1.00 24.10 H new ATOM 0 HG21 VAL A 68 -10.940 5.045 7.855 1.00 23.22 H new ATOM 0 HG22 VAL A 68 -10.824 5.024 6.079 1.00 23.22 H new ATOM 0 HG23 VAL A 68 -10.153 3.678 7.030 1.00 23.22 H new ATOM 1117 N GLN A 69 -5.708 5.020 6.652 1.00 14.45 N ATOM 1118 CA GLN A 69 -4.325 5.501 6.855 1.00 41.31 C ATOM 1119 C GLN A 69 -3.590 5.631 5.508 1.00 4.42 C ATOM 1120 O GLN A 69 -2.934 6.640 5.256 1.00 44.43 O ATOM 1121 CB GLN A 69 -3.543 4.548 7.799 1.00 12.42 C ATOM 1122 CG GLN A 69 -4.245 4.254 9.142 1.00 32.12 C ATOM 1123 CD GLN A 69 -4.556 5.491 9.986 1.00 42.34 C ATOM 1124 OE1 GLN A 69 -3.860 6.505 9.929 1.00 35.52 O ATOM 1125 NE2 GLN A 69 -5.580 5.397 10.815 1.00 15.22 N ATOM 0 H GLN A 69 -5.879 4.089 7.032 1.00 14.45 H new ATOM 0 HA GLN A 69 -4.377 6.485 7.320 1.00 41.31 H new ATOM 0 HB2 GLN A 69 -3.371 3.605 7.280 1.00 12.42 H new ATOM 0 HB3 GLN A 69 -2.565 4.983 8.003 1.00 12.42 H new ATOM 0 HG2 GLN A 69 -5.176 3.725 8.941 1.00 32.12 H new ATOM 0 HG3 GLN A 69 -3.616 3.582 9.726 1.00 32.12 H new ATOM 0 HE21 GLN A 69 -6.139 4.544 10.840 1.00 15.22 H new ATOM 0 HE22 GLN A 69 -5.812 6.177 11.430 1.00 15.22 H new ATOM 1134 N VAL A 70 -3.728 4.597 4.656 1.00 45.02 N ATOM 1135 CA VAL A 70 -3.117 4.561 3.314 1.00 75.31 C ATOM 1136 C VAL A 70 -3.742 5.620 2.399 1.00 40.12 C ATOM 1137 O VAL A 70 -3.031 6.341 1.694 1.00 2.03 O ATOM 1138 CB VAL A 70 -3.277 3.132 2.665 1.00 62.52 C ATOM 1139 CG1 VAL A 70 -2.697 3.066 1.234 1.00 52.33 C ATOM 1140 CG2 VAL A 70 -2.619 2.067 3.558 1.00 71.24 C ATOM 0 H VAL A 70 -4.268 3.761 4.880 1.00 45.02 H new ATOM 0 HA VAL A 70 -2.055 4.780 3.427 1.00 75.31 H new ATOM 0 HB VAL A 70 -4.345 2.931 2.587 1.00 62.52 H new ATOM 0 HG11 VAL A 70 -2.832 2.062 0.833 1.00 52.33 H new ATOM 0 HG12 VAL A 70 -3.215 3.784 0.598 1.00 52.33 H new ATOM 0 HG13 VAL A 70 -1.634 3.306 1.261 1.00 52.33 H new ATOM 0 HG21 VAL A 70 -2.736 1.085 3.100 1.00 71.24 H new ATOM 0 HG22 VAL A 70 -1.558 2.291 3.670 1.00 71.24 H new ATOM 0 HG23 VAL A 70 -3.096 2.069 4.538 1.00 71.24 H new ATOM 1150 N LYS A 71 -5.085 5.703 2.436 1.00 4.02 N ATOM 1151 CA LYS A 71 -5.860 6.638 1.609 1.00 24.54 C ATOM 1152 C LYS A 71 -5.499 8.097 1.944 1.00 74.22 C ATOM 1153 O LYS A 71 -5.090 8.850 1.062 1.00 41.30 O ATOM 1154 CB LYS A 71 -7.378 6.376 1.784 1.00 71.23 C ATOM 1155 CG LYS A 71 -7.852 5.017 1.224 1.00 21.45 C ATOM 1156 CD LYS A 71 -9.360 4.733 1.461 1.00 74.44 C ATOM 1157 CE LYS A 71 -10.305 5.658 0.664 1.00 54.35 C ATOM 1158 NZ LYS A 71 -10.351 7.062 1.178 1.00 54.33 N ATOM 0 H LYS A 71 -5.662 5.121 3.043 1.00 4.02 H new ATOM 0 HA LYS A 71 -5.605 6.471 0.562 1.00 24.54 H new ATOM 0 HB2 LYS A 71 -7.624 6.426 2.845 1.00 71.23 H new ATOM 0 HB3 LYS A 71 -7.933 7.174 1.290 1.00 71.23 H new ATOM 0 HG2 LYS A 71 -7.650 4.985 0.153 1.00 21.45 H new ATOM 0 HG3 LYS A 71 -7.265 4.221 1.683 1.00 21.45 H new ATOM 0 HD2 LYS A 71 -9.571 3.698 1.194 1.00 74.44 H new ATOM 0 HD3 LYS A 71 -9.576 4.838 2.524 1.00 74.44 H new ATOM 0 HE2 LYS A 71 -9.989 5.673 -0.379 1.00 54.35 H new ATOM 0 HE3 LYS A 71 -11.311 5.240 0.686 1.00 54.35 H new ATOM 0 HZ1 LYS A 71 -11.341 7.371 1.255 1.00 54.33 H new ATOM 0 HZ2 LYS A 71 -9.902 7.104 2.115 1.00 54.33 H new ATOM 0 HZ3 LYS A 71 -9.842 7.689 0.522 1.00 54.33 H new ATOM 1172 N THR A 72 -5.603 8.448 3.238 1.00 51.30 N ATOM 1173 CA THR A 72 -5.280 9.791 3.755 1.00 43.24 C ATOM 1174 C THR A 72 -3.814 10.178 3.454 1.00 14.24 C ATOM 1175 O THR A 72 -3.544 11.308 3.022 1.00 72.42 O ATOM 1176 CB THR A 72 -5.567 9.860 5.298 1.00 32.52 C ATOM 1177 OG1 THR A 72 -6.964 9.635 5.525 1.00 73.45 O ATOM 1178 CG2 THR A 72 -5.165 11.203 5.929 1.00 32.35 C ATOM 0 H THR A 72 -5.917 7.801 3.962 1.00 51.30 H new ATOM 0 HA THR A 72 -5.919 10.511 3.244 1.00 43.24 H new ATOM 0 HB THR A 72 -4.959 9.089 5.772 1.00 32.52 H new ATOM 0 HG1 THR A 72 -7.135 8.672 5.586 1.00 73.45 H new ATOM 0 HG21 THR A 72 -5.389 11.185 6.996 1.00 32.35 H new ATOM 0 HG22 THR A 72 -4.097 11.367 5.785 1.00 32.35 H new ATOM 0 HG23 THR A 72 -5.723 12.010 5.454 1.00 32.35 H new ATOM 1186 N PHE A 73 -2.889 9.219 3.658 1.00 23.22 N ATOM 1187 CA PHE A 73 -1.447 9.447 3.459 1.00 53.55 C ATOM 1188 C PHE A 73 -1.150 9.767 1.983 1.00 35.24 C ATOM 1189 O PHE A 73 -0.655 10.852 1.682 1.00 72.11 O ATOM 1190 CB PHE A 73 -0.609 8.227 3.929 1.00 41.33 C ATOM 1191 CG PHE A 73 0.900 8.476 3.955 1.00 60.12 C ATOM 1192 CD1 PHE A 73 1.516 8.986 5.098 1.00 53.32 C ATOM 1193 CD2 PHE A 73 1.702 8.207 2.842 1.00 52.32 C ATOM 1194 CE1 PHE A 73 2.879 9.216 5.126 1.00 64.22 C ATOM 1195 CE2 PHE A 73 3.063 8.438 2.875 1.00 74.43 C ATOM 1196 CZ PHE A 73 3.650 8.940 4.015 1.00 61.25 C ATOM 0 H PHE A 73 -3.119 8.273 3.963 1.00 23.22 H new ATOM 0 HA PHE A 73 -1.159 10.304 4.069 1.00 53.55 H new ATOM 0 HB2 PHE A 73 -0.936 7.939 4.928 1.00 41.33 H new ATOM 0 HB3 PHE A 73 -0.815 7.383 3.271 1.00 41.33 H new ATOM 0 HD1 PHE A 73 0.921 9.204 5.972 1.00 53.32 H new ATOM 0 HD2 PHE A 73 1.251 7.813 1.943 1.00 52.32 H new ATOM 0 HE1 PHE A 73 3.341 9.612 6.018 1.00 64.22 H new ATOM 0 HE2 PHE A 73 3.668 8.225 2.006 1.00 74.43 H new ATOM 0 HZ PHE A 73 4.715 9.118 4.040 1.00 61.25 H new ATOM 1206 N ILE A 74 -1.494 8.820 1.075 1.00 34.30 N ATOM 1207 CA ILE A 74 -1.180 8.920 -0.367 1.00 20.44 C ATOM 1208 C ILE A 74 -1.882 10.143 -1.015 1.00 24.51 C ATOM 1209 O ILE A 74 -1.283 10.827 -1.850 1.00 12.42 O ATOM 1210 CB ILE A 74 -1.521 7.581 -1.137 1.00 50.12 C ATOM 1211 CG1 ILE A 74 -0.660 6.396 -0.571 1.00 44.23 C ATOM 1212 CG2 ILE A 74 -1.306 7.732 -2.668 1.00 51.10 C ATOM 1213 CD1 ILE A 74 -0.857 5.063 -1.281 1.00 51.13 C ATOM 0 H ILE A 74 -1.996 7.968 1.324 1.00 34.30 H new ATOM 0 HA ILE A 74 -0.104 9.074 -0.453 1.00 20.44 H new ATOM 0 HB ILE A 74 -2.576 7.360 -0.975 1.00 50.12 H new ATOM 0 HG12 ILE A 74 0.393 6.671 -0.631 1.00 44.23 H new ATOM 0 HG13 ILE A 74 -0.896 6.267 0.485 1.00 44.23 H new ATOM 0 HG21 ILE A 74 -1.550 6.793 -3.164 1.00 51.10 H new ATOM 0 HG22 ILE A 74 -1.952 8.523 -3.050 1.00 51.10 H new ATOM 0 HG23 ILE A 74 -0.265 7.987 -2.866 1.00 51.10 H new ATOM 0 HD11 ILE A 74 -0.221 4.308 -0.820 1.00 51.13 H new ATOM 0 HD12 ILE A 74 -1.900 4.758 -1.200 1.00 51.13 H new ATOM 0 HD13 ILE A 74 -0.591 5.168 -2.333 1.00 51.13 H new ATOM 1225 N THR A 75 -3.123 10.439 -0.579 1.00 50.00 N ATOM 1226 CA THR A 75 -3.903 11.603 -1.068 1.00 21.04 C ATOM 1227 C THR A 75 -3.244 12.945 -0.667 1.00 72.04 C ATOM 1228 O THR A 75 -3.228 13.900 -1.455 1.00 35.44 O ATOM 1229 CB THR A 75 -5.385 11.543 -0.545 1.00 3.23 C ATOM 1230 OG1 THR A 75 -6.002 10.339 -1.030 1.00 41.22 O ATOM 1231 CG2 THR A 75 -6.235 12.749 -0.991 1.00 72.10 C ATOM 0 H THR A 75 -3.615 9.882 0.120 1.00 50.00 H new ATOM 0 HA THR A 75 -3.914 11.550 -2.157 1.00 21.04 H new ATOM 0 HB THR A 75 -5.341 11.562 0.544 1.00 3.23 H new ATOM 0 HG1 THR A 75 -5.810 9.602 -0.414 1.00 41.22 H new ATOM 0 HG21 THR A 75 -7.246 12.647 -0.597 1.00 72.10 H new ATOM 0 HG22 THR A 75 -5.789 13.669 -0.612 1.00 72.10 H new ATOM 0 HG23 THR A 75 -6.271 12.786 -2.080 1.00 72.10 H new ATOM 1239 N GLN A 76 -2.684 12.997 0.553 1.00 23.11 N ATOM 1240 CA GLN A 76 -2.104 14.233 1.119 1.00 74.25 C ATOM 1241 C GLN A 76 -0.583 14.322 0.902 1.00 23.51 C ATOM 1242 O GLN A 76 0.001 15.376 1.170 1.00 54.12 O ATOM 1243 CB GLN A 76 -2.447 14.348 2.633 1.00 74.53 C ATOM 1244 CG GLN A 76 -3.952 14.546 2.934 1.00 12.40 C ATOM 1245 CD GLN A 76 -4.264 14.707 4.425 1.00 64.24 C ATOM 1246 OE1 GLN A 76 -3.442 15.181 5.206 1.00 5.23 O ATOM 1247 NE2 GLN A 76 -5.469 14.353 4.824 1.00 41.13 N ATOM 0 H GLN A 76 -2.619 12.190 1.174 1.00 23.11 H new ATOM 0 HA GLN A 76 -2.551 15.072 0.585 1.00 74.25 H new ATOM 0 HB2 GLN A 76 -2.103 13.447 3.141 1.00 74.53 H new ATOM 0 HB3 GLN A 76 -1.891 15.184 3.057 1.00 74.53 H new ATOM 0 HG2 GLN A 76 -4.308 15.427 2.400 1.00 12.40 H new ATOM 0 HG3 GLN A 76 -4.507 13.692 2.546 1.00 12.40 H new ATOM 0 HE21 GLN A 76 -6.133 13.962 4.156 1.00 41.13 H new ATOM 0 HE22 GLN A 76 -5.738 14.470 5.801 1.00 41.13 H new ATOM 1256 N THR A 77 0.068 13.234 0.447 1.00 3.30 N ATOM 1257 CA THR A 77 1.517 13.254 0.147 1.00 53.32 C ATOM 1258 C THR A 77 1.729 13.475 -1.361 1.00 4.11 C ATOM 1259 O THR A 77 0.829 13.217 -2.181 1.00 42.31 O ATOM 1260 CB THR A 77 2.271 11.944 0.612 1.00 62.54 C ATOM 1261 OG1 THR A 77 3.689 12.182 0.636 1.00 35.03 O ATOM 1262 CG2 THR A 77 2.004 10.725 -0.291 1.00 51.34 C ATOM 0 H THR A 77 -0.382 12.334 0.279 1.00 3.30 H new ATOM 0 HA THR A 77 1.947 14.078 0.717 1.00 53.32 H new ATOM 0 HB THR A 77 1.885 11.711 1.604 1.00 62.54 H new ATOM 0 HG1 THR A 77 4.152 11.369 0.926 1.00 35.03 H new ATOM 0 HG21 THR A 77 2.553 9.864 0.089 1.00 51.34 H new ATOM 0 HG22 THR A 77 0.937 10.502 -0.295 1.00 51.34 H new ATOM 0 HG23 THR A 77 2.332 10.946 -1.307 1.00 51.34 H new ATOM 1270 N LYS A 78 2.924 13.971 -1.709 1.00 31.30 N ATOM 1271 CA LYS A 78 3.384 14.139 -3.096 1.00 30.05 C ATOM 1272 C LYS A 78 4.763 13.463 -3.232 1.00 63.31 C ATOM 1273 O LYS A 78 5.576 13.837 -4.077 1.00 1.40 O ATOM 1274 CB LYS A 78 3.427 15.656 -3.456 1.00 72.43 C ATOM 1275 CG LYS A 78 2.044 16.361 -3.407 1.00 1.11 C ATOM 1276 CD LYS A 78 2.132 17.899 -3.570 1.00 22.10 C ATOM 1277 CE LYS A 78 2.676 18.332 -4.945 1.00 43.51 C ATOM 1278 NZ LYS A 78 2.866 19.811 -5.030 1.00 12.31 N ATOM 0 H LYS A 78 3.613 14.273 -1.020 1.00 31.30 H new ATOM 0 HA LYS A 78 2.698 13.666 -3.799 1.00 30.05 H new ATOM 0 HB2 LYS A 78 4.105 16.162 -2.769 1.00 72.43 H new ATOM 0 HB3 LYS A 78 3.845 15.769 -4.456 1.00 72.43 H new ATOM 0 HG2 LYS A 78 1.409 15.955 -4.195 1.00 1.11 H new ATOM 0 HG3 LYS A 78 1.560 16.131 -2.458 1.00 1.11 H new ATOM 0 HD2 LYS A 78 1.142 18.331 -3.426 1.00 22.10 H new ATOM 0 HD3 LYS A 78 2.774 18.305 -2.788 1.00 22.10 H new ATOM 0 HE2 LYS A 78 3.627 17.833 -5.133 1.00 43.51 H new ATOM 0 HE3 LYS A 78 1.987 18.009 -5.726 1.00 43.51 H new ATOM 0 HZ1 LYS A 78 3.233 20.060 -5.971 1.00 12.31 H new ATOM 0 HZ2 LYS A 78 1.954 20.287 -4.877 1.00 12.31 H new ATOM 0 HZ3 LYS A 78 3.543 20.116 -4.302 1.00 12.31 H new ATOM 1292 N GLU A 79 4.996 12.435 -2.392 1.00 52.23 N ATOM 1293 CA GLU A 79 6.251 11.664 -2.375 1.00 23.14 C ATOM 1294 C GLU A 79 6.091 10.358 -3.151 1.00 42.32 C ATOM 1295 O GLU A 79 5.202 9.555 -2.859 1.00 31.13 O ATOM 1296 CB GLU A 79 6.694 11.382 -0.918 1.00 12.14 C ATOM 1297 CG GLU A 79 7.150 12.638 -0.160 1.00 22.55 C ATOM 1298 CD GLU A 79 8.340 13.350 -0.835 1.00 71.23 C ATOM 1299 OE1 GLU A 79 9.480 12.843 -0.741 1.00 20.24 O ATOM 1300 OE2 GLU A 79 8.147 14.409 -1.467 1.00 53.40 O ATOM 0 H GLU A 79 4.314 12.116 -1.704 1.00 52.23 H new ATOM 0 HA GLU A 79 7.025 12.257 -2.861 1.00 23.14 H new ATOM 0 HB2 GLU A 79 5.866 10.922 -0.378 1.00 12.14 H new ATOM 0 HB3 GLU A 79 7.509 10.658 -0.928 1.00 12.14 H new ATOM 0 HG2 GLU A 79 6.314 13.333 -0.083 1.00 22.55 H new ATOM 0 HG3 GLU A 79 7.429 12.361 0.857 1.00 22.55 H new ATOM 1307 N ARG A 80 6.983 10.161 -4.126 1.00 74.25 N ATOM 1308 CA ARG A 80 6.971 8.999 -5.022 1.00 52.13 C ATOM 1309 C ARG A 80 8.010 7.953 -4.570 1.00 1.20 C ATOM 1310 O ARG A 80 9.067 8.324 -4.041 1.00 22.13 O ATOM 1311 CB ARG A 80 7.273 9.428 -6.481 1.00 33.35 C ATOM 1312 CG ARG A 80 6.259 10.416 -7.084 1.00 64.31 C ATOM 1313 CD ARG A 80 6.445 10.589 -8.596 1.00 32.44 C ATOM 1314 NE ARG A 80 6.380 9.292 -9.305 1.00 71.53 N ATOM 1315 CZ ARG A 80 6.859 9.053 -10.532 1.00 3.20 C ATOM 1316 NH1 ARG A 80 7.447 10.015 -11.250 1.00 31.13 N ATOM 1317 NH2 ARG A 80 6.776 7.826 -11.025 1.00 34.21 N ATOM 0 H ARG A 80 7.744 10.812 -4.318 1.00 74.25 H new ATOM 0 HA ARG A 80 5.976 8.556 -4.980 1.00 52.13 H new ATOM 0 HB2 ARG A 80 8.264 9.880 -6.514 1.00 33.35 H new ATOM 0 HB3 ARG A 80 7.308 8.537 -7.108 1.00 33.35 H new ATOM 0 HG2 ARG A 80 5.247 10.064 -6.882 1.00 64.31 H new ATOM 0 HG3 ARG A 80 6.363 11.384 -6.594 1.00 64.31 H new ATOM 0 HD2 ARG A 80 5.675 11.255 -8.984 1.00 32.44 H new ATOM 0 HD3 ARG A 80 7.406 11.064 -8.793 1.00 32.44 H new ATOM 0 HE ARG A 80 5.933 8.515 -8.818 1.00 71.53 H new ATOM 0 HH11 ARG A 80 7.538 10.955 -10.865 1.00 31.13 H new ATOM 0 HH12 ARG A 80 7.804 9.809 -12.183 1.00 31.13 H new ATOM 0 HH21 ARG A 80 6.352 7.082 -10.471 1.00 34.21 H new ATOM 0 HH22 ARG A 80 7.136 7.626 -11.958 1.00 34.21 H new ATOM 1331 N PRO A 81 7.719 6.627 -4.757 1.00 53.53 N ATOM 1332 CA PRO A 81 8.728 5.553 -4.569 1.00 21.32 C ATOM 1333 C PRO A 81 9.803 5.579 -5.692 1.00 73.41 C ATOM 1334 O PRO A 81 9.493 5.817 -6.872 1.00 70.43 O ATOM 1335 CB PRO A 81 7.880 4.256 -4.592 1.00 45.22 C ATOM 1336 CG PRO A 81 6.642 4.602 -5.363 1.00 51.12 C ATOM 1337 CD PRO A 81 6.378 6.076 -5.127 1.00 1.54 C ATOM 0 HA PRO A 81 9.299 5.657 -3.647 1.00 21.32 H new ATOM 0 HB2 PRO A 81 8.424 3.440 -5.068 1.00 45.22 H new ATOM 0 HB3 PRO A 81 7.635 3.929 -3.581 1.00 45.22 H new ATOM 0 HG2 PRO A 81 6.778 4.399 -6.425 1.00 51.12 H new ATOM 0 HG3 PRO A 81 5.797 3.999 -5.029 1.00 51.12 H new ATOM 0 HD2 PRO A 81 5.980 6.559 -6.020 1.00 1.54 H new ATOM 0 HD3 PRO A 81 5.650 6.229 -4.331 1.00 1.54 H new ATOM 1345 N ARG A 82 11.054 5.324 -5.301 1.00 75.43 N ATOM 1346 CA ARG A 82 12.247 5.402 -6.177 1.00 71.42 C ATOM 1347 C ARG A 82 13.128 4.166 -5.898 1.00 12.43 C ATOM 1348 O ARG A 82 12.942 3.511 -4.874 1.00 42.14 O ATOM 1349 CB ARG A 82 12.980 6.758 -5.895 1.00 44.44 C ATOM 1350 CG ARG A 82 14.194 7.110 -6.817 1.00 72.34 C ATOM 1351 CD ARG A 82 15.564 6.625 -6.283 1.00 24.14 C ATOM 1352 NE ARG A 82 16.677 7.003 -7.173 1.00 53.05 N ATOM 1353 CZ ARG A 82 17.886 6.414 -7.204 1.00 11.03 C ATOM 1354 NH1 ARG A 82 18.181 5.389 -6.400 1.00 40.15 N ATOM 1355 NH2 ARG A 82 18.815 6.869 -8.034 1.00 62.22 N ATOM 0 H ARG A 82 11.281 5.050 -4.345 1.00 75.43 H new ATOM 0 HA ARG A 82 11.987 5.389 -7.235 1.00 71.42 H new ATOM 0 HB2 ARG A 82 12.249 7.562 -5.975 1.00 44.44 H new ATOM 0 HB3 ARG A 82 13.330 6.747 -4.863 1.00 44.44 H new ATOM 0 HG2 ARG A 82 14.026 6.673 -7.801 1.00 72.34 H new ATOM 0 HG3 ARG A 82 14.232 8.191 -6.951 1.00 72.34 H new ATOM 0 HD2 ARG A 82 15.735 7.046 -5.292 1.00 24.14 H new ATOM 0 HD3 ARG A 82 15.544 5.541 -6.170 1.00 24.14 H new ATOM 0 HE ARG A 82 16.517 7.776 -7.819 1.00 53.05 H new ATOM 0 HH11 ARG A 82 17.483 5.037 -5.745 1.00 40.15 H new ATOM 0 HH12 ARG A 82 19.105 4.958 -6.441 1.00 40.15 H new ATOM 0 HH21 ARG A 82 18.611 7.661 -8.644 1.00 62.22 H new ATOM 0 HH22 ARG A 82 19.734 6.427 -8.063 1.00 62.22 H new ATOM 1369 N LEU A 83 14.057 3.840 -6.822 1.00 32.12 N ATOM 1370 CA LEU A 83 14.929 2.654 -6.717 1.00 0.14 C ATOM 1371 C LEU A 83 15.702 2.635 -5.368 1.00 25.21 C ATOM 1372 O LEU A 83 16.636 3.413 -5.159 1.00 54.43 O ATOM 1373 CB LEU A 83 15.904 2.613 -7.928 1.00 61.13 C ATOM 1374 CG LEU A 83 16.740 1.298 -8.089 1.00 72.22 C ATOM 1375 CD1 LEU A 83 15.824 0.066 -8.232 1.00 74.14 C ATOM 1376 CD2 LEU A 83 17.714 1.397 -9.282 1.00 23.42 C ATOM 0 H LEU A 83 14.222 4.394 -7.662 1.00 32.12 H new ATOM 0 HA LEU A 83 14.306 1.760 -6.738 1.00 0.14 H new ATOM 0 HB2 LEU A 83 15.327 2.768 -8.840 1.00 61.13 H new ATOM 0 HB3 LEU A 83 16.595 3.452 -7.842 1.00 61.13 H new ATOM 0 HG LEU A 83 17.331 1.174 -7.181 1.00 72.22 H new ATOM 0 HD11 LEU A 83 16.434 -0.830 -8.342 1.00 74.14 H new ATOM 0 HD12 LEU A 83 15.199 -0.027 -7.344 1.00 74.14 H new ATOM 0 HD13 LEU A 83 15.191 0.184 -9.111 1.00 74.14 H new ATOM 0 HD21 LEU A 83 18.280 0.469 -9.368 1.00 23.42 H new ATOM 0 HD22 LEU A 83 17.150 1.564 -10.200 1.00 23.42 H new ATOM 0 HD23 LEU A 83 18.401 2.228 -9.123 1.00 23.42 H new ATOM 1388 N GLY A 84 15.241 1.773 -4.444 1.00 44.30 N ATOM 1389 CA GLY A 84 15.812 1.666 -3.090 1.00 42.51 C ATOM 1390 C GLY A 84 14.975 2.404 -2.049 1.00 54.10 C ATOM 1391 O GLY A 84 14.871 1.966 -0.901 1.00 15.44 O ATOM 0 H GLY A 84 14.465 1.133 -4.614 1.00 44.30 H new ATOM 0 HA2 GLY A 84 15.889 0.615 -2.812 1.00 42.51 H new ATOM 0 HA3 GLY A 84 16.824 2.070 -3.092 1.00 42.51 H new ATOM 1395 N LYS A 85 14.373 3.530 -2.469 1.00 2.24 N ATOM 1396 CA LYS A 85 13.540 4.404 -1.621 1.00 35.43 C ATOM 1397 C LYS A 85 12.062 3.933 -1.631 1.00 74.45 C ATOM 1398 O LYS A 85 11.382 3.994 -2.658 1.00 1.41 O ATOM 1399 CB LYS A 85 13.651 5.873 -2.142 1.00 73.42 C ATOM 1400 CG LYS A 85 12.752 6.902 -1.412 1.00 31.23 C ATOM 1401 CD LYS A 85 13.085 7.045 0.096 1.00 63.13 C ATOM 1402 CE LYS A 85 12.155 8.038 0.807 1.00 32.53 C ATOM 1403 NZ LYS A 85 12.267 9.415 0.263 1.00 1.02 N ATOM 0 H LYS A 85 14.453 3.866 -3.429 1.00 2.24 H new ATOM 0 HA LYS A 85 13.897 4.354 -0.592 1.00 35.43 H new ATOM 0 HB2 LYS A 85 14.689 6.195 -2.055 1.00 73.42 H new ATOM 0 HB3 LYS A 85 13.402 5.885 -3.203 1.00 73.42 H new ATOM 0 HG2 LYS A 85 12.858 7.874 -1.894 1.00 31.23 H new ATOM 0 HG3 LYS A 85 11.709 6.605 -1.520 1.00 31.23 H new ATOM 0 HD2 LYS A 85 13.007 6.070 0.577 1.00 63.13 H new ATOM 0 HD3 LYS A 85 14.118 7.374 0.208 1.00 63.13 H new ATOM 0 HE2 LYS A 85 11.124 7.697 0.712 1.00 32.53 H new ATOM 0 HE3 LYS A 85 12.390 8.052 1.871 1.00 32.53 H new ATOM 0 HZ1 LYS A 85 11.697 10.064 0.842 1.00 1.02 H new ATOM 0 HZ2 LYS A 85 13.262 9.716 0.283 1.00 1.02 H new ATOM 0 HZ3 LYS A 85 11.921 9.430 -0.718 1.00 1.02 H new ATOM 1417 N ALA A 86 11.576 3.460 -0.480 1.00 54.42 N ATOM 1418 CA ALA A 86 10.169 3.064 -0.307 1.00 64.42 C ATOM 1419 C ALA A 86 9.378 4.188 0.374 1.00 15.24 C ATOM 1420 O ALA A 86 9.928 4.943 1.190 1.00 44.01 O ATOM 1421 CB ALA A 86 10.096 1.774 0.515 1.00 63.43 C ATOM 0 H ALA A 86 12.143 3.340 0.359 1.00 54.42 H new ATOM 0 HA ALA A 86 9.724 2.883 -1.285 1.00 64.42 H new ATOM 0 HB1 ALA A 86 9.054 1.482 0.642 1.00 63.43 H new ATOM 0 HB2 ALA A 86 10.634 0.981 -0.004 1.00 63.43 H new ATOM 0 HB3 ALA A 86 10.548 1.940 1.493 1.00 63.43 H new ATOM 1427 N VAL A 87 8.088 4.295 0.019 1.00 30.53 N ATOM 1428 CA VAL A 87 7.137 5.194 0.697 1.00 61.14 C ATOM 1429 C VAL A 87 6.492 4.418 1.862 1.00 1.31 C ATOM 1430 O VAL A 87 5.503 3.699 1.680 1.00 61.32 O ATOM 1431 CB VAL A 87 6.045 5.752 -0.303 1.00 52.14 C ATOM 1432 CG1 VAL A 87 5.003 6.651 0.408 1.00 50.42 C ATOM 1433 CG2 VAL A 87 6.711 6.505 -1.474 1.00 51.51 C ATOM 0 H VAL A 87 7.674 3.762 -0.745 1.00 30.53 H new ATOM 0 HA VAL A 87 7.667 6.065 1.082 1.00 61.14 H new ATOM 0 HB VAL A 87 5.506 4.893 -0.702 1.00 52.14 H new ATOM 0 HG11 VAL A 87 4.275 7.010 -0.320 1.00 50.42 H new ATOM 0 HG12 VAL A 87 4.492 6.075 1.179 1.00 50.42 H new ATOM 0 HG13 VAL A 87 5.508 7.502 0.865 1.00 50.42 H new ATOM 0 HG21 VAL A 87 5.942 6.880 -2.149 1.00 51.51 H new ATOM 0 HG22 VAL A 87 7.292 7.341 -1.085 1.00 51.51 H new ATOM 0 HG23 VAL A 87 7.370 5.826 -2.015 1.00 51.51 H new ATOM 1443 N SER A 88 7.107 4.528 3.044 1.00 50.31 N ATOM 1444 CA SER A 88 6.668 3.825 4.252 1.00 43.11 C ATOM 1445 C SER A 88 5.463 4.555 4.854 1.00 43.15 C ATOM 1446 O SER A 88 5.607 5.648 5.410 1.00 23.13 O ATOM 1447 CB SER A 88 7.831 3.752 5.266 1.00 3.43 C ATOM 1448 OG SER A 88 7.496 2.961 6.397 1.00 11.23 O ATOM 0 H SER A 88 7.930 5.112 3.190 1.00 50.31 H new ATOM 0 HA SER A 88 6.370 2.807 4.000 1.00 43.11 H new ATOM 0 HB2 SER A 88 8.712 3.335 4.779 1.00 3.43 H new ATOM 0 HB3 SER A 88 8.093 4.759 5.591 1.00 3.43 H new ATOM 0 HG SER A 88 8.256 2.936 7.015 1.00 11.23 H new ATOM 1454 N ILE A 89 4.269 3.967 4.683 1.00 71.31 N ATOM 1455 CA ILE A 89 3.009 4.522 5.201 1.00 24.52 C ATOM 1456 C ILE A 89 2.787 4.019 6.646 1.00 12.11 C ATOM 1457 O ILE A 89 2.604 2.809 6.845 1.00 35.43 O ATOM 1458 CB ILE A 89 1.791 4.091 4.300 1.00 64.23 C ATOM 1459 CG1 ILE A 89 2.053 4.499 2.816 1.00 34.24 C ATOM 1460 CG2 ILE A 89 0.455 4.685 4.827 1.00 51.22 C ATOM 1461 CD1 ILE A 89 1.022 3.989 1.835 1.00 50.44 C ATOM 0 H ILE A 89 4.150 3.088 4.179 1.00 71.31 H new ATOM 0 HA ILE A 89 3.076 5.610 5.189 1.00 24.52 H new ATOM 0 HB ILE A 89 1.695 3.006 4.347 1.00 64.23 H new ATOM 0 HG12 ILE A 89 2.090 5.587 2.752 1.00 34.24 H new ATOM 0 HG13 ILE A 89 3.034 4.129 2.518 1.00 34.24 H new ATOM 0 HG21 ILE A 89 -0.364 4.367 4.182 1.00 51.22 H new ATOM 0 HG22 ILE A 89 0.275 4.332 5.842 1.00 51.22 H new ATOM 0 HG23 ILE A 89 0.516 5.773 4.827 1.00 51.22 H new ATOM 0 HD11 ILE A 89 1.282 4.319 0.829 1.00 50.44 H new ATOM 0 HD12 ILE A 89 0.999 2.900 1.865 1.00 50.44 H new ATOM 0 HD13 ILE A 89 0.040 4.380 2.103 1.00 50.44 H new ATOM 1473 N PRO A 90 2.834 4.924 7.679 1.00 44.34 N ATOM 1474 CA PRO A 90 2.519 4.541 9.069 1.00 55.03 C ATOM 1475 C PRO A 90 1.010 4.258 9.227 1.00 43.44 C ATOM 1476 O PRO A 90 0.167 5.158 9.066 1.00 20.23 O ATOM 1477 CB PRO A 90 2.982 5.775 9.895 1.00 22.52 C ATOM 1478 CG PRO A 90 2.882 6.933 8.942 1.00 24.44 C ATOM 1479 CD PRO A 90 3.208 6.365 7.573 1.00 43.51 C ATOM 0 HA PRO A 90 3.011 3.624 9.394 1.00 55.03 H new ATOM 0 HB2 PRO A 90 2.349 5.926 10.769 1.00 22.52 H new ATOM 0 HB3 PRO A 90 4.002 5.648 10.258 1.00 22.52 H new ATOM 0 HG2 PRO A 90 1.883 7.368 8.958 1.00 24.44 H new ATOM 0 HG3 PRO A 90 3.579 7.725 9.214 1.00 24.44 H new ATOM 0 HD2 PRO A 90 2.642 6.867 6.788 1.00 43.51 H new ATOM 0 HD3 PRO A 90 4.264 6.486 7.332 1.00 43.51 H new ATOM 1487 N LEU A 91 0.677 2.988 9.503 1.00 65.34 N ATOM 1488 CA LEU A 91 -0.713 2.563 9.673 1.00 73.50 C ATOM 1489 C LEU A 91 -1.092 2.721 11.146 1.00 63.42 C ATOM 1490 O LEU A 91 -0.774 1.852 11.973 1.00 20.54 O ATOM 1491 CB LEU A 91 -0.905 1.104 9.186 1.00 54.30 C ATOM 1492 CG LEU A 91 -0.428 0.794 7.732 1.00 43.04 C ATOM 1493 CD1 LEU A 91 -0.723 -0.670 7.359 1.00 12.13 C ATOM 1494 CD2 LEU A 91 -1.046 1.770 6.713 1.00 70.34 C ATOM 0 H LEU A 91 1.358 2.237 9.613 1.00 65.34 H new ATOM 0 HA LEU A 91 -1.371 3.186 9.067 1.00 73.50 H new ATOM 0 HB2 LEU A 91 -0.373 0.442 9.869 1.00 54.30 H new ATOM 0 HB3 LEU A 91 -1.964 0.855 9.260 1.00 54.30 H new ATOM 0 HG LEU A 91 0.652 0.937 7.699 1.00 43.04 H new ATOM 0 HD11 LEU A 91 -0.382 -0.862 6.342 1.00 12.13 H new ATOM 0 HD12 LEU A 91 -0.201 -1.333 8.048 1.00 12.13 H new ATOM 0 HD13 LEU A 91 -1.796 -0.853 7.422 1.00 12.13 H new ATOM 0 HD21 LEU A 91 -0.691 1.524 5.712 1.00 70.34 H new ATOM 0 HD22 LEU A 91 -2.132 1.688 6.743 1.00 70.34 H new ATOM 0 HD23 LEU A 91 -0.752 2.790 6.961 1.00 70.34 H new ATOM 1506 N ASP A 92 -1.706 3.874 11.473 1.00 65.12 N ATOM 1507 CA ASP A 92 -2.131 4.190 12.845 1.00 0.24 C ATOM 1508 C ASP A 92 -3.223 3.217 13.266 1.00 24.20 C ATOM 1509 O ASP A 92 -4.343 3.251 12.748 1.00 43.42 O ATOM 1510 CB ASP A 92 -2.646 5.651 13.001 1.00 61.52 C ATOM 1511 CG ASP A 92 -3.332 5.908 14.374 1.00 25.23 C ATOM 1512 OD1 ASP A 92 -2.624 5.972 15.400 1.00 35.51 O ATOM 1513 OD2 ASP A 92 -4.584 6.021 14.437 1.00 41.11 O ATOM 0 H ASP A 92 -1.919 4.607 10.796 1.00 65.12 H new ATOM 0 HA ASP A 92 -1.255 4.093 13.486 1.00 0.24 H new ATOM 0 HB2 ASP A 92 -1.810 6.340 12.884 1.00 61.52 H new ATOM 0 HB3 ASP A 92 -3.353 5.869 12.201 1.00 61.52 H new ATOM 1518 N LEU A 93 -2.850 2.307 14.159 1.00 32.12 N ATOM 1519 CA LEU A 93 -3.782 1.396 14.816 1.00 74.32 C ATOM 1520 C LEU A 93 -3.979 1.829 16.279 1.00 55.45 C ATOM 1521 O LEU A 93 -4.562 1.087 17.065 1.00 53.44 O ATOM 1522 CB LEU A 93 -3.258 -0.059 14.721 1.00 41.22 C ATOM 1523 CG LEU A 93 -2.911 -0.593 13.287 1.00 74.41 C ATOM 1524 CD1 LEU A 93 -2.699 -2.113 13.328 1.00 20.42 C ATOM 1525 CD2 LEU A 93 -3.974 -0.203 12.228 1.00 34.33 C ATOM 0 H LEU A 93 -1.881 2.179 14.451 1.00 32.12 H new ATOM 0 HA LEU A 93 -4.749 1.434 14.315 1.00 74.32 H new ATOM 0 HB2 LEU A 93 -2.364 -0.139 15.339 1.00 41.22 H new ATOM 0 HB3 LEU A 93 -4.007 -0.719 15.157 1.00 41.22 H new ATOM 0 HG LEU A 93 -1.983 -0.112 12.976 1.00 74.41 H new ATOM 0 HD11 LEU A 93 -2.459 -2.474 12.328 1.00 20.42 H new ATOM 0 HD12 LEU A 93 -1.878 -2.348 14.006 1.00 20.42 H new ATOM 0 HD13 LEU A 93 -3.610 -2.598 13.680 1.00 20.42 H new ATOM 0 HD21 LEU A 93 -3.681 -0.599 11.256 1.00 34.33 H new ATOM 0 HD22 LEU A 93 -4.941 -0.618 12.513 1.00 34.33 H new ATOM 0 HD23 LEU A 93 -4.048 0.883 12.170 1.00 34.33 H new ATOM 1537 N GLY A 94 -3.497 3.051 16.618 1.00 40.20 N ATOM 1538 CA GLY A 94 -3.687 3.635 17.949 1.00 30.12 C ATOM 1539 C GLY A 94 -5.155 3.952 18.208 1.00 53.34 C ATOM 1540 O GLY A 94 -5.765 3.407 19.142 1.00 2.54 O ATOM 0 H GLY A 94 -2.972 3.646 15.976 1.00 40.20 H new ATOM 0 HA2 GLY A 94 -3.322 2.943 18.708 1.00 30.12 H new ATOM 0 HA3 GLY A 94 -3.095 4.546 18.037 1.00 30.12 H new ATOM 1544 N GLU A 95 -5.724 4.808 17.335 1.00 14.22 N ATOM 1545 CA GLU A 95 -7.164 5.132 17.342 1.00 50.21 C ATOM 1546 C GLU A 95 -7.985 3.929 16.821 1.00 33.20 C ATOM 1547 O GLU A 95 -9.015 3.557 17.405 1.00 21.10 O ATOM 1548 CB GLU A 95 -7.419 6.400 16.469 1.00 64.10 C ATOM 1549 CG GLU A 95 -8.906 6.759 16.201 1.00 31.11 C ATOM 1550 CD GLU A 95 -9.681 7.149 17.473 1.00 52.53 C ATOM 1551 OE1 GLU A 95 -9.563 8.313 17.916 1.00 22.24 O ATOM 1552 OE2 GLU A 95 -10.404 6.298 18.039 1.00 60.24 O ATOM 0 H GLU A 95 -5.199 5.293 16.607 1.00 14.22 H new ATOM 0 HA GLU A 95 -7.483 5.341 18.363 1.00 50.21 H new ATOM 0 HB2 GLU A 95 -6.943 7.252 16.954 1.00 64.10 H new ATOM 0 HB3 GLU A 95 -6.922 6.261 15.509 1.00 64.10 H new ATOM 0 HG2 GLU A 95 -8.950 7.584 15.490 1.00 31.11 H new ATOM 0 HG3 GLU A 95 -9.398 5.907 15.731 1.00 31.11 H new ATOM 1559 N ARG A 96 -7.476 3.305 15.744 1.00 63.41 N ATOM 1560 CA ARG A 96 -8.182 2.241 14.997 1.00 52.01 C ATOM 1561 C ARG A 96 -8.380 0.937 15.809 1.00 2.31 C ATOM 1562 O ARG A 96 -9.226 0.108 15.451 1.00 1.01 O ATOM 1563 CB ARG A 96 -7.439 1.977 13.657 1.00 21.10 C ATOM 1564 CG ARG A 96 -7.538 3.150 12.646 1.00 35.51 C ATOM 1565 CD ARG A 96 -8.988 3.400 12.196 1.00 10.33 C ATOM 1566 NE ARG A 96 -9.185 4.621 11.398 1.00 25.33 N ATOM 1567 CZ ARG A 96 -10.363 4.973 10.853 1.00 74.14 C ATOM 1568 NH1 ARG A 96 -11.450 4.207 11.009 1.00 54.12 N ATOM 1569 NH2 ARG A 96 -10.460 6.106 10.188 1.00 4.51 N ATOM 0 H ARG A 96 -6.556 3.524 15.362 1.00 63.41 H new ATOM 0 HA ARG A 96 -9.191 2.598 14.793 1.00 52.01 H new ATOM 0 HB2 ARG A 96 -6.388 1.779 13.868 1.00 21.10 H new ATOM 0 HB3 ARG A 96 -7.847 1.077 13.197 1.00 21.10 H new ATOM 0 HG2 ARG A 96 -7.138 4.056 13.101 1.00 35.51 H new ATOM 0 HG3 ARG A 96 -6.920 2.931 11.775 1.00 35.51 H new ATOM 0 HD2 ARG A 96 -9.325 2.543 11.613 1.00 10.33 H new ATOM 0 HD3 ARG A 96 -9.624 3.454 13.080 1.00 10.33 H new ATOM 0 HE ARG A 96 -8.383 5.234 11.250 1.00 25.33 H new ATOM 0 HH11 ARG A 96 -11.392 3.343 11.548 1.00 54.12 H new ATOM 0 HH12 ARG A 96 -12.336 4.488 10.589 1.00 54.12 H new ATOM 0 HH21 ARG A 96 -9.644 6.711 10.089 1.00 4.51 H new ATOM 0 HH22 ARG A 96 -11.351 6.379 9.772 1.00 4.51 H new ATOM 1583 N ALA A 97 -7.613 0.768 16.908 1.00 43.35 N ATOM 1584 CA ALA A 97 -7.772 -0.379 17.834 1.00 32.02 C ATOM 1585 C ALA A 97 -9.145 -0.354 18.522 1.00 62.25 C ATOM 1586 O ALA A 97 -9.789 -1.387 18.699 1.00 41.12 O ATOM 1587 CB ALA A 97 -6.658 -0.379 18.887 1.00 20.41 C ATOM 0 H ALA A 97 -6.872 1.415 17.178 1.00 43.35 H new ATOM 0 HA ALA A 97 -7.703 -1.293 17.244 1.00 32.02 H new ATOM 0 HB1 ALA A 97 -6.791 -1.228 19.558 1.00 20.41 H new ATOM 0 HB2 ALA A 97 -5.690 -0.456 18.392 1.00 20.41 H new ATOM 0 HB3 ALA A 97 -6.700 0.547 19.461 1.00 20.41 H new ATOM 1593 N SER A 98 -9.609 0.853 18.846 1.00 21.13 N ATOM 1594 CA SER A 98 -10.819 1.068 19.650 1.00 24.15 C ATOM 1595 C SER A 98 -12.116 0.710 18.880 1.00 63.34 C ATOM 1596 O SER A 98 -13.204 0.739 19.456 1.00 61.41 O ATOM 1597 CB SER A 98 -10.834 2.527 20.169 1.00 65.00 C ATOM 1598 OG SER A 98 -11.903 2.756 21.071 1.00 41.22 O ATOM 0 H SER A 98 -9.154 1.719 18.557 1.00 21.13 H new ATOM 0 HA SER A 98 -10.792 0.389 20.502 1.00 24.15 H new ATOM 0 HB2 SER A 98 -9.888 2.746 20.664 1.00 65.00 H new ATOM 0 HB3 SER A 98 -10.918 3.212 19.325 1.00 65.00 H new ATOM 0 HG SER A 98 -12.602 2.084 20.927 1.00 41.22 H new ATOM 1604 N GLU A 99 -11.986 0.395 17.577 1.00 42.24 N ATOM 1605 CA GLU A 99 -13.119 -0.041 16.740 1.00 21.30 C ATOM 1606 C GLU A 99 -13.472 -1.525 16.988 1.00 23.01 C ATOM 1607 O GLU A 99 -14.655 -1.884 16.983 1.00 33.21 O ATOM 1608 CB GLU A 99 -12.807 0.183 15.243 1.00 21.44 C ATOM 1609 CG GLU A 99 -12.483 1.648 14.871 1.00 70.43 C ATOM 1610 CD GLU A 99 -12.366 1.845 13.356 1.00 43.41 C ATOM 1611 OE1 GLU A 99 -11.400 1.330 12.758 1.00 62.43 O ATOM 1612 OE2 GLU A 99 -13.243 2.499 12.744 1.00 11.22 O ATOM 0 H GLU A 99 -11.097 0.435 17.078 1.00 42.24 H new ATOM 0 HA GLU A 99 -13.982 0.563 17.020 1.00 21.30 H new ATOM 0 HB2 GLU A 99 -11.962 -0.446 14.962 1.00 21.44 H new ATOM 0 HB3 GLU A 99 -13.661 -0.149 14.653 1.00 21.44 H new ATOM 0 HG2 GLU A 99 -13.262 2.302 15.262 1.00 70.43 H new ATOM 0 HG3 GLU A 99 -11.549 1.945 15.348 1.00 70.43 H new ATOM 1619 N TRP A 100 -12.447 -2.393 17.167 1.00 41.40 N ATOM 1620 CA TRP A 100 -12.674 -3.836 17.436 1.00 23.10 C ATOM 1621 C TRP A 100 -12.699 -4.131 18.948 1.00 1.52 C ATOM 1622 O TRP A 100 -13.005 -5.257 19.357 1.00 73.44 O ATOM 1623 CB TRP A 100 -11.660 -4.738 16.680 1.00 50.12 C ATOM 1624 CG TRP A 100 -10.199 -4.567 17.042 1.00 23.32 C ATOM 1625 CD1 TRP A 100 -9.387 -3.552 16.659 1.00 54.23 C ATOM 1626 CD2 TRP A 100 -9.372 -5.464 17.801 1.00 31.15 C ATOM 1627 NE1 TRP A 100 -8.117 -3.745 17.133 1.00 42.45 N ATOM 1628 CE2 TRP A 100 -8.080 -4.912 17.832 1.00 33.31 C ATOM 1629 CE3 TRP A 100 -9.598 -6.677 18.453 1.00 0.54 C ATOM 1630 CZ2 TRP A 100 -7.019 -5.524 18.491 1.00 30.43 C ATOM 1631 CZ3 TRP A 100 -8.543 -7.289 19.108 1.00 42.13 C ATOM 1632 CH2 TRP A 100 -7.265 -6.713 19.119 1.00 34.13 C ATOM 0 H TRP A 100 -11.464 -2.124 17.131 1.00 41.40 H new ATOM 0 HA TRP A 100 -13.660 -4.085 17.044 1.00 23.10 H new ATOM 0 HB2 TRP A 100 -11.934 -5.779 16.853 1.00 50.12 H new ATOM 0 HB3 TRP A 100 -11.770 -4.553 15.611 1.00 50.12 H new ATOM 0 HD1 TRP A 100 -9.699 -2.707 16.062 1.00 54.23 H new ATOM 0 HE1 TRP A 100 -7.327 -3.116 16.986 1.00 42.45 H new ATOM 0 HE3 TRP A 100 -10.578 -7.130 18.447 1.00 0.54 H new ATOM 0 HZ2 TRP A 100 -6.036 -5.076 18.506 1.00 30.43 H new ATOM 0 HZ3 TRP A 100 -8.707 -8.226 19.619 1.00 42.13 H new ATOM 0 HH2 TRP A 100 -6.460 -7.218 19.633 1.00 34.13 H new ATOM 1643 N ILE A 101 -12.362 -3.117 19.768 1.00 62.20 N ATOM 1644 CA ILE A 101 -12.674 -3.114 21.199 1.00 24.14 C ATOM 1645 C ILE A 101 -14.032 -2.396 21.364 1.00 71.13 C ATOM 1646 O ILE A 101 -14.109 -1.162 21.314 1.00 15.52 O ATOM 1647 CB ILE A 101 -11.558 -2.415 22.097 1.00 65.41 C ATOM 1648 CG1 ILE A 101 -10.238 -3.263 22.219 1.00 65.22 C ATOM 1649 CG2 ILE A 101 -12.107 -2.128 23.519 1.00 32.14 C ATOM 1650 CD1 ILE A 101 -9.453 -3.474 20.942 1.00 65.02 C ATOM 0 H ILE A 101 -11.868 -2.282 19.453 1.00 62.20 H new ATOM 0 HA ILE A 101 -12.713 -4.145 21.550 1.00 24.14 H new ATOM 0 HB ILE A 101 -11.305 -1.484 21.591 1.00 65.41 H new ATOM 0 HG12 ILE A 101 -9.586 -2.777 22.945 1.00 65.22 H new ATOM 0 HG13 ILE A 101 -10.496 -4.240 22.627 1.00 65.22 H new ATOM 0 HG21 ILE A 101 -11.332 -1.651 24.119 1.00 32.14 H new ATOM 0 HG22 ILE A 101 -12.971 -1.467 23.449 1.00 32.14 H new ATOM 0 HG23 ILE A 101 -12.405 -3.065 23.990 1.00 32.14 H new ATOM 0 HD11 ILE A 101 -8.567 -4.072 21.154 1.00 65.02 H new ATOM 0 HD12 ILE A 101 -10.076 -3.994 20.214 1.00 65.02 H new ATOM 0 HD13 ILE A 101 -9.151 -2.508 20.537 1.00 65.02 H new ATOM 1662 N ILE A 102 -15.113 -3.180 21.490 1.00 34.01 N ATOM 1663 CA ILE A 102 -16.470 -2.651 21.708 1.00 51.24 C ATOM 1664 C ILE A 102 -16.826 -2.748 23.200 1.00 13.21 C ATOM 1665 O ILE A 102 -17.120 -3.833 23.718 1.00 22.24 O ATOM 1666 CB ILE A 102 -17.530 -3.400 20.806 1.00 4.11 C ATOM 1667 CG1 ILE A 102 -17.228 -3.150 19.293 1.00 61.43 C ATOM 1668 CG2 ILE A 102 -18.989 -2.990 21.147 1.00 74.41 C ATOM 1669 CD1 ILE A 102 -17.338 -1.693 18.839 1.00 41.10 C ATOM 0 H ILE A 102 -15.072 -4.198 21.444 1.00 34.01 H new ATOM 0 HA ILE A 102 -16.492 -1.602 21.413 1.00 51.24 H new ATOM 0 HB ILE A 102 -17.441 -4.466 21.017 1.00 4.11 H new ATOM 0 HG12 ILE A 102 -16.221 -3.506 19.076 1.00 61.43 H new ATOM 0 HG13 ILE A 102 -17.914 -3.752 18.698 1.00 61.43 H new ATOM 0 HG21 ILE A 102 -19.680 -3.531 20.501 1.00 74.41 H new ATOM 0 HG22 ILE A 102 -19.201 -3.232 22.188 1.00 74.41 H new ATOM 0 HG23 ILE A 102 -19.111 -1.918 20.992 1.00 74.41 H new ATOM 0 HD11 ILE A 102 -17.110 -1.625 17.775 1.00 41.10 H new ATOM 0 HD12 ILE A 102 -18.351 -1.332 19.017 1.00 41.10 H new ATOM 0 HD13 ILE A 102 -16.631 -1.082 19.401 1.00 41.10 H new ATOM 1681 N LEU A 103 -16.726 -1.602 23.887 1.00 70.32 N ATOM 1682 CA LEU A 103 -17.141 -1.442 25.289 1.00 61.35 C ATOM 1683 C LEU A 103 -18.243 -0.374 25.345 1.00 23.03 C ATOM 1684 O LEU A 103 -17.974 0.817 25.122 1.00 54.31 O ATOM 1685 CB LEU A 103 -15.929 -1.053 26.193 1.00 71.53 C ATOM 1686 CG LEU A 103 -14.823 -2.148 26.369 1.00 54.34 C ATOM 1687 CD1 LEU A 103 -13.643 -1.624 27.216 1.00 40.13 C ATOM 1688 CD2 LEU A 103 -15.406 -3.443 26.981 1.00 22.02 C ATOM 0 H LEU A 103 -16.349 -0.747 23.479 1.00 70.32 H new ATOM 0 HA LEU A 103 -17.526 -2.387 25.671 1.00 61.35 H new ATOM 0 HB2 LEU A 103 -15.464 -0.159 25.778 1.00 71.53 H new ATOM 0 HB3 LEU A 103 -16.308 -0.786 27.180 1.00 71.53 H new ATOM 0 HG LEU A 103 -14.442 -2.388 25.376 1.00 54.34 H new ATOM 0 HD11 LEU A 103 -12.893 -2.408 27.319 1.00 40.13 H new ATOM 0 HD12 LEU A 103 -13.198 -0.759 26.724 1.00 40.13 H new ATOM 0 HD13 LEU A 103 -14.004 -1.335 28.203 1.00 40.13 H new ATOM 0 HD21 LEU A 103 -14.613 -4.183 27.090 1.00 22.02 H new ATOM 0 HD22 LEU A 103 -15.834 -3.223 27.959 1.00 22.02 H new ATOM 0 HD23 LEU A 103 -16.183 -3.838 26.326 1.00 22.02 H new ATOM 1700 N GLU A 104 -19.485 -0.828 25.600 1.00 31.23 N ATOM 1701 CA GLU A 104 -20.679 0.030 25.666 1.00 23.15 C ATOM 1702 C GLU A 104 -21.806 -0.697 26.464 1.00 22.33 C ATOM 1703 O GLU A 104 -22.415 -0.074 27.362 1.00 34.34 O ATOM 1704 CB GLU A 104 -21.143 0.449 24.230 1.00 65.40 C ATOM 1705 CG GLU A 104 -21.358 -0.712 23.231 1.00 75.15 C ATOM 1706 CD GLU A 104 -21.778 -0.238 21.825 1.00 12.13 C ATOM 1707 OE1 GLU A 104 -22.994 -0.051 21.585 1.00 24.11 O ATOM 1708 OE2 GLU A 104 -20.896 -0.053 20.960 1.00 4.04 O ATOM 0 H GLU A 104 -19.688 -1.813 25.768 1.00 31.23 H new ATOM 0 HA GLU A 104 -20.435 0.950 26.197 1.00 23.15 H new ATOM 0 HB2 GLU A 104 -22.076 1.007 24.317 1.00 65.40 H new ATOM 0 HB3 GLU A 104 -20.402 1.131 23.813 1.00 65.40 H new ATOM 0 HG2 GLU A 104 -20.437 -1.289 23.152 1.00 75.15 H new ATOM 0 HG3 GLU A 104 -22.122 -1.383 23.624 1.00 75.15 H new TER 1715 GLU A 104