USER MOD reduce.3.24.130724 H: found=0, std=0, add=1029, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 1029 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 95 THR OG1 : rot -99:sc= -0.527 USER MOD Set 1.2: A 124 HIS : no HD1:sc= -1.57 K(o=-2.1,f=-3.1) USER MOD Set 2.1: A 52 LYS NZ :NH3+ 172:sc= 2.14 (180deg=2.03) USER MOD Set 2.2: A 78 SER OG : rot 180:sc= -0.59 USER MOD Set 3.1: A 60 SER OG : rot 59:sc= 0.69 USER MOD Set 3.2: A 90 TYR OH : rot 30:sc= 0.613 USER MOD Set 4.1: A 18 SER OG : rot 180:sc= 0.0798 USER MOD Set 4.2: A 30 THR OG1 : rot -158:sc= 0.0826 USER MOD Single : A 1 MET CE :methyl 164:sc= -0.0563 (180deg=-0.39) USER MOD Single : A 1 MET N :NH3+ -172:sc= 0 (180deg=-0.0664) USER MOD Single : A 3 LYS NZ :NH3+ -160:sc= 0.141 (180deg=-0.00945) USER MOD Single : A 8 SER OG : rot 128:sc= -0.0517! USER MOD Single : A 11 GLN : amide:sc= -1.55! K(o=-1.6!,f=-0.0057) USER MOD Single : A 19 LYS NZ :NH3+ -150:sc= 0.862 (180deg=0.397) USER MOD Single : A 20 LYS NZ :NH3+ 172:sc= 0.232 (180deg=0.192) USER MOD Single : A 26 TYR OH : rot 130:sc= -0.52 USER MOD Single : A 29 GLN : amide:sc=-3.96e-05 X(o=-4e-05,f=-0.0063) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 32 ASN : amide:sc= -2.73! K(o=-2.7!,f=-1.1) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 ASN : amide:sc= -0.0737 K(o=-0.074,f=-3.8!) USER MOD Single : A 48 MET CE :methyl -171:sc= -0.378 (180deg=-0.767) USER MOD Single : A 53 THR OG1 : rot 180:sc=0.000346 USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 SER OG : rot 62:sc= 0.242 USER MOD Single : A 64 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.101) USER MOD Single : A 65 GLN : amide:sc= -1.39 X(o=-1.4,f=-0.92) USER MOD Single : A 69 SER OG : rot 180:sc= -1.01 USER MOD Single : A 72 LYS NZ :NH3+ 149:sc= 0.287 (180deg=0.223) USER MOD Single : A 77 SER OG : rot 180:sc= -0.212 USER MOD Single : A 81 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 85 SER OG : rot 65:sc= 0.901 USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 GLN : amide:sc= 0 X(o=0,f=-0.22) USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 101 LYS NZ :NH3+ 167:sc= 0.378 (180deg=0.304) USER MOD Single : A 105 LYS NZ :NH3+ -167:sc= 1.13 (180deg=1.01) USER MOD Single : A 113 LYS NZ :NH3+ 165:sc= 0.414 (180deg=0.294) USER MOD Single : A 117 SER OG : rot -109:sc= 0.514 USER MOD Single : A 120 HIS : no HD1:sc= 0.34 K(o=0.34,f=-1.9!) USER MOD Single : A 121 HIS : no HD1:sc= -0.382 X(o=-0.38,f=-0.015) USER MOD Single : A 122 HIS : no HD1:sc= -0.0672 X(o=-0.067,f=-0.067) USER MOD Single : A 123 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 125 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 13.754 10.159 -0.254 1.00 65.45 N ATOM 2 CA MET A 1 14.519 9.105 -0.969 1.00 52.15 C ATOM 3 C MET A 1 13.563 8.315 -1.871 1.00 32.54 C ATOM 4 O MET A 1 12.757 7.512 -1.374 1.00 72.33 O ATOM 5 CB MET A 1 15.247 8.178 0.046 1.00 65.44 C ATOM 6 CG MET A 1 16.325 8.885 0.881 1.00 72.14 C ATOM 7 SD MET A 1 17.177 7.785 2.037 1.00 21.10 S ATOM 8 CE MET A 1 17.961 6.607 0.933 1.00 61.24 C ATOM 0 H1 MET A 1 14.414 10.783 0.253 1.00 65.45 H new ATOM 0 H2 MET A 1 13.208 10.717 -0.940 1.00 65.45 H new ATOM 0 H3 MET A 1 13.105 9.715 0.426 1.00 65.45 H new ATOM 0 HA MET A 1 15.286 9.564 -1.593 1.00 52.15 H new ATOM 0 HB2 MET A 1 14.508 7.744 0.719 1.00 65.44 H new ATOM 0 HB3 MET A 1 15.707 7.353 -0.498 1.00 65.44 H new ATOM 0 HG2 MET A 1 17.058 9.332 0.210 1.00 72.14 H new ATOM 0 HG3 MET A 1 15.865 9.700 1.439 1.00 72.14 H new ATOM 0 HE1 MET A 1 18.732 6.059 1.474 1.00 61.24 H new ATOM 0 HE2 MET A 1 17.214 5.907 0.558 1.00 61.24 H new ATOM 0 HE3 MET A 1 18.413 7.138 0.096 1.00 61.24 H new ATOM 20 N GLY A 2 13.641 8.568 -3.195 1.00 70.04 N ATOM 21 CA GLY A 2 12.682 8.039 -4.165 1.00 22.04 C ATOM 22 C GLY A 2 11.313 8.661 -3.955 1.00 43.51 C ATOM 23 O GLY A 2 11.074 9.770 -4.433 1.00 21.34 O ATOM 0 H GLY A 2 14.372 9.144 -3.612 1.00 70.04 H new ATOM 0 HA2 GLY A 2 13.030 8.244 -5.177 1.00 22.04 H new ATOM 0 HA3 GLY A 2 12.615 6.956 -4.065 1.00 22.04 H new ATOM 27 N LYS A 3 10.450 7.947 -3.199 1.00 62.22 N ATOM 28 CA LYS A 3 9.146 8.431 -2.700 1.00 23.25 C ATOM 29 C LYS A 3 8.401 7.273 -2.022 1.00 21.51 C ATOM 30 O LYS A 3 8.306 6.177 -2.590 1.00 60.12 O ATOM 31 CB LYS A 3 8.238 9.034 -3.826 1.00 45.15 C ATOM 32 CG LYS A 3 6.860 9.581 -3.358 1.00 44.21 C ATOM 33 CD LYS A 3 6.954 10.660 -2.252 1.00 22.14 C ATOM 34 CE LYS A 3 7.763 11.897 -2.669 1.00 44.24 C ATOM 35 NZ LYS A 3 7.790 12.921 -1.590 1.00 61.14 N ATOM 0 H LYS A 3 10.649 6.989 -2.911 1.00 62.22 H new ATOM 0 HA LYS A 3 9.356 9.233 -1.993 1.00 23.25 H new ATOM 0 HB2 LYS A 3 8.783 9.843 -4.313 1.00 45.15 H new ATOM 0 HB3 LYS A 3 8.067 8.266 -4.580 1.00 45.15 H new ATOM 0 HG2 LYS A 3 6.336 10.000 -4.217 1.00 44.21 H new ATOM 0 HG3 LYS A 3 6.257 8.751 -2.991 1.00 44.21 H new ATOM 0 HD2 LYS A 3 5.947 10.971 -1.973 1.00 22.14 H new ATOM 0 HD3 LYS A 3 7.409 10.220 -1.365 1.00 22.14 H new ATOM 0 HE2 LYS A 3 8.782 11.600 -2.916 1.00 44.24 H new ATOM 0 HE3 LYS A 3 7.330 12.329 -3.571 1.00 44.24 H new ATOM 0 HZ1 LYS A 3 8.033 13.847 -1.996 1.00 61.14 H new ATOM 0 HZ2 LYS A 3 6.854 12.976 -1.140 1.00 61.14 H new ATOM 0 HZ3 LYS A 3 8.501 12.657 -0.879 1.00 61.14 H new ATOM 49 N VAL A 4 7.887 7.515 -0.807 1.00 41.33 N ATOM 50 CA VAL A 4 6.936 6.608 -0.151 1.00 12.12 C ATOM 51 C VAL A 4 5.528 7.187 -0.352 1.00 15.02 C ATOM 52 O VAL A 4 5.306 8.364 -0.065 1.00 2.10 O ATOM 53 CB VAL A 4 7.206 6.434 1.394 1.00 72.40 C ATOM 54 CG1 VAL A 4 6.352 5.273 1.971 1.00 31.20 C ATOM 55 CG2 VAL A 4 8.717 6.249 1.689 1.00 21.25 C ATOM 0 H VAL A 4 8.118 8.341 -0.255 1.00 41.33 H new ATOM 0 HA VAL A 4 7.046 5.621 -0.599 1.00 12.12 H new ATOM 0 HB VAL A 4 6.899 7.350 1.899 1.00 72.40 H new ATOM 0 HG11 VAL A 4 6.552 5.169 3.037 1.00 31.20 H new ATOM 0 HG12 VAL A 4 5.294 5.489 1.820 1.00 31.20 H new ATOM 0 HG13 VAL A 4 6.609 4.344 1.461 1.00 31.20 H new ATOM 0 HG21 VAL A 4 8.867 6.132 2.762 1.00 21.25 H new ATOM 0 HG22 VAL A 4 9.082 5.361 1.173 1.00 21.25 H new ATOM 0 HG23 VAL A 4 9.266 7.124 1.339 1.00 21.25 H new ATOM 65 N VAL A 5 4.602 6.391 -0.895 1.00 73.04 N ATOM 66 CA VAL A 5 3.186 6.776 -1.035 1.00 44.24 C ATOM 67 C VAL A 5 2.313 5.773 -0.277 1.00 11.44 C ATOM 68 O VAL A 5 2.372 4.573 -0.540 1.00 24.03 O ATOM 69 CB VAL A 5 2.729 6.847 -2.551 1.00 45.41 C ATOM 70 CG1 VAL A 5 1.195 7.059 -2.682 1.00 24.30 C ATOM 71 CG2 VAL A 5 3.502 7.957 -3.305 1.00 33.52 C ATOM 0 H VAL A 5 4.809 5.458 -1.252 1.00 73.04 H new ATOM 0 HA VAL A 5 3.069 7.775 -0.615 1.00 44.24 H new ATOM 0 HB VAL A 5 2.966 5.887 -3.009 1.00 45.41 H new ATOM 0 HG11 VAL A 5 0.922 7.102 -3.736 1.00 24.30 H new ATOM 0 HG12 VAL A 5 0.671 6.230 -2.205 1.00 24.30 H new ATOM 0 HG13 VAL A 5 0.914 7.993 -2.196 1.00 24.30 H new ATOM 0 HG21 VAL A 5 3.173 7.988 -4.344 1.00 33.52 H new ATOM 0 HG22 VAL A 5 3.308 8.920 -2.833 1.00 33.52 H new ATOM 0 HG23 VAL A 5 4.571 7.745 -3.269 1.00 33.52 H new ATOM 81 N PHE A 6 1.525 6.267 0.682 1.00 4.15 N ATOM 82 CA PHE A 6 0.503 5.467 1.349 1.00 24.11 C ATOM 83 C PHE A 6 -0.837 5.698 0.641 1.00 44.12 C ATOM 84 O PHE A 6 -1.448 6.764 0.760 1.00 0.23 O ATOM 85 CB PHE A 6 0.397 5.824 2.846 1.00 22.41 C ATOM 86 CG PHE A 6 -0.651 5.003 3.576 1.00 11.20 C ATOM 87 CD1 PHE A 6 -0.452 3.641 3.781 1.00 33.35 C ATOM 88 CD2 PHE A 6 -1.846 5.575 4.020 1.00 70.42 C ATOM 89 CE1 PHE A 6 -1.401 2.877 4.414 1.00 13.42 C ATOM 90 CE2 PHE A 6 -2.791 4.806 4.660 1.00 30.41 C ATOM 91 CZ PHE A 6 -2.565 3.459 4.848 1.00 73.11 C ATOM 0 H PHE A 6 1.580 7.230 1.014 1.00 4.15 H new ATOM 0 HA PHE A 6 0.777 4.414 1.291 1.00 24.11 H new ATOM 0 HB2 PHE A 6 1.366 5.671 3.320 1.00 22.41 H new ATOM 0 HB3 PHE A 6 0.157 6.882 2.946 1.00 22.41 H new ATOM 0 HD1 PHE A 6 0.462 3.179 3.437 1.00 33.35 H new ATOM 0 HD2 PHE A 6 -2.029 6.627 3.860 1.00 70.42 H new ATOM 0 HE1 PHE A 6 -1.232 1.822 4.570 1.00 13.42 H new ATOM 0 HE2 PHE A 6 -3.707 5.256 5.014 1.00 30.41 H new ATOM 0 HZ PHE A 6 -3.312 2.856 5.342 1.00 73.11 H new ATOM 101 N LEU A 7 -1.259 4.698 -0.111 1.00 73.32 N ATOM 102 CA LEU A 7 -2.518 4.705 -0.849 1.00 14.15 C ATOM 103 C LEU A 7 -3.547 3.849 -0.088 1.00 35.41 C ATOM 104 O LEU A 7 -3.233 2.731 0.312 1.00 13.15 O ATOM 105 CB LEU A 7 -2.255 4.137 -2.261 1.00 15.23 C ATOM 106 CG LEU A 7 -3.494 3.957 -3.182 1.00 34.50 C ATOM 107 CD1 LEU A 7 -4.215 5.300 -3.446 1.00 30.55 C ATOM 108 CD2 LEU A 7 -3.081 3.257 -4.489 1.00 42.53 C ATOM 0 H LEU A 7 -0.727 3.836 -0.231 1.00 73.32 H new ATOM 0 HA LEU A 7 -2.915 5.716 -0.942 1.00 14.15 H new ATOM 0 HB2 LEU A 7 -1.548 4.795 -2.766 1.00 15.23 H new ATOM 0 HB3 LEU A 7 -1.768 3.168 -2.153 1.00 15.23 H new ATOM 0 HG LEU A 7 -4.215 3.321 -2.668 1.00 34.50 H new ATOM 0 HD11 LEU A 7 -5.075 5.130 -4.094 1.00 30.55 H new ATOM 0 HD12 LEU A 7 -4.551 5.724 -2.500 1.00 30.55 H new ATOM 0 HD13 LEU A 7 -3.527 5.993 -3.930 1.00 30.55 H new ATOM 0 HD21 LEU A 7 -3.955 3.135 -5.128 1.00 42.53 H new ATOM 0 HD22 LEU A 7 -2.335 3.861 -5.005 1.00 42.53 H new ATOM 0 HD23 LEU A 7 -2.659 2.278 -4.260 1.00 42.53 H new ATOM 120 N SER A 8 -4.750 4.390 0.156 1.00 44.51 N ATOM 121 CA SER A 8 -5.866 3.644 0.768 1.00 61.14 C ATOM 122 C SER A 8 -7.196 4.170 0.240 1.00 70.12 C ATOM 123 O SER A 8 -7.285 5.311 -0.207 1.00 34.12 O ATOM 124 CB SER A 8 -5.833 3.753 2.308 1.00 13.44 C ATOM 125 OG SER A 8 -4.716 3.088 2.839 1.00 61.32 O ATOM 0 H SER A 8 -4.979 5.359 -0.065 1.00 44.51 H new ATOM 0 HA SER A 8 -5.758 2.593 0.499 1.00 61.14 H new ATOM 0 HB2 SER A 8 -5.808 4.803 2.601 1.00 13.44 H new ATOM 0 HB3 SER A 8 -6.746 3.327 2.725 1.00 13.44 H new ATOM 0 HG SER A 8 -4.226 3.694 3.433 1.00 61.32 H new ATOM 131 N ASP A 9 -8.231 3.327 0.318 1.00 74.40 N ATOM 132 CA ASP A 9 -9.593 3.687 -0.119 1.00 63.11 C ATOM 133 C ASP A 9 -10.513 3.932 1.103 1.00 25.24 C ATOM 134 O ASP A 9 -11.703 4.195 0.956 1.00 61.11 O ATOM 135 CB ASP A 9 -10.143 2.587 -1.077 1.00 50.32 C ATOM 136 CG ASP A 9 -11.488 2.947 -1.749 1.00 23.32 C ATOM 137 OD1 ASP A 9 -11.655 4.103 -2.195 1.00 54.30 O ATOM 138 OD2 ASP A 9 -12.373 2.068 -1.853 1.00 73.52 O ATOM 0 H ASP A 9 -8.154 2.378 0.684 1.00 74.40 H new ATOM 0 HA ASP A 9 -9.565 4.624 -0.676 1.00 63.11 H new ATOM 0 HB2 ASP A 9 -9.402 2.393 -1.853 1.00 50.32 H new ATOM 0 HB3 ASP A 9 -10.266 1.661 -0.516 1.00 50.32 H new ATOM 143 N ASP A 10 -9.948 3.883 2.322 1.00 15.44 N ATOM 144 CA ASP A 10 -10.686 4.196 3.567 1.00 42.21 C ATOM 145 C ASP A 10 -10.049 5.426 4.235 1.00 44.23 C ATOM 146 O ASP A 10 -8.848 5.423 4.512 1.00 13.11 O ATOM 147 CB ASP A 10 -10.675 2.980 4.523 1.00 34.52 C ATOM 148 CG ASP A 10 -11.541 3.199 5.781 1.00 64.01 C ATOM 149 OD1 ASP A 10 -12.708 2.748 5.804 1.00 13.22 O ATOM 150 OD2 ASP A 10 -11.072 3.842 6.747 1.00 2.43 O ATOM 0 H ASP A 10 -8.973 3.627 2.476 1.00 15.44 H new ATOM 0 HA ASP A 10 -11.726 4.419 3.328 1.00 42.21 H new ATOM 0 HB2 ASP A 10 -11.035 2.101 3.989 1.00 34.52 H new ATOM 0 HB3 ASP A 10 -9.649 2.771 4.826 1.00 34.52 H new ATOM 155 N GLN A 11 -10.882 6.447 4.507 1.00 44.52 N ATOM 156 CA GLN A 11 -10.451 7.765 5.019 1.00 3.11 C ATOM 157 C GLN A 11 -9.833 7.689 6.433 1.00 13.11 C ATOM 158 O GLN A 11 -8.847 8.384 6.708 1.00 74.03 O ATOM 159 CB GLN A 11 -11.657 8.746 5.008 1.00 72.22 C ATOM 160 CG GLN A 11 -11.336 10.195 5.445 1.00 51.05 C ATOM 161 CD GLN A 11 -10.365 10.915 4.504 1.00 21.25 C ATOM 162 OE1 GLN A 11 -10.780 11.556 3.539 1.00 4.42 O ATOM 163 NE2 GLN A 11 -9.071 10.808 4.767 1.00 43.41 N ATOM 0 H GLN A 11 -11.891 6.380 4.376 1.00 44.52 H new ATOM 0 HA GLN A 11 -9.665 8.130 4.358 1.00 3.11 H new ATOM 0 HB2 GLN A 11 -12.074 8.772 4.001 1.00 72.22 H new ATOM 0 HB3 GLN A 11 -12.432 8.350 5.664 1.00 72.22 H new ATOM 0 HG2 GLN A 11 -12.264 10.763 5.501 1.00 51.05 H new ATOM 0 HG3 GLN A 11 -10.912 10.178 6.449 1.00 51.05 H new ATOM 0 HE21 GLN A 11 -8.758 10.270 5.575 1.00 43.41 H new ATOM 0 HE22 GLN A 11 -8.388 11.264 4.162 1.00 43.41 H new ATOM 172 N GLU A 12 -10.409 6.837 7.308 1.00 15.10 N ATOM 173 CA GLU A 12 -9.948 6.695 8.713 1.00 10.41 C ATOM 174 C GLU A 12 -8.504 6.178 8.726 1.00 63.44 C ATOM 175 O GLU A 12 -7.630 6.747 9.387 1.00 34.54 O ATOM 176 CB GLU A 12 -10.864 5.722 9.514 1.00 20.20 C ATOM 177 CG GLU A 12 -12.374 6.004 9.394 1.00 44.50 C ATOM 178 CD GLU A 12 -12.759 7.437 9.796 1.00 71.11 C ATOM 179 OE1 GLU A 12 -13.073 8.260 8.908 1.00 52.13 O ATOM 180 OE2 GLU A 12 -12.760 7.743 11.010 1.00 52.12 O ATOM 0 H GLU A 12 -11.196 6.234 7.069 1.00 15.10 H new ATOM 0 HA GLU A 12 -9.997 7.673 9.191 1.00 10.41 H new ATOM 0 HB2 GLU A 12 -10.672 4.704 9.175 1.00 20.20 H new ATOM 0 HB3 GLU A 12 -10.584 5.766 10.566 1.00 20.20 H new ATOM 0 HG2 GLU A 12 -12.689 5.825 8.366 1.00 44.50 H new ATOM 0 HG3 GLU A 12 -12.919 5.299 10.022 1.00 44.50 H new ATOM 187 N ILE A 13 -8.299 5.085 7.965 1.00 51.44 N ATOM 188 CA ILE A 13 -6.978 4.495 7.698 1.00 0.42 C ATOM 189 C ILE A 13 -5.957 5.565 7.231 1.00 41.31 C ATOM 190 O ILE A 13 -4.857 5.670 7.795 1.00 75.53 O ATOM 191 CB ILE A 13 -7.090 3.372 6.600 1.00 31.24 C ATOM 192 CG1 ILE A 13 -8.098 2.245 7.010 1.00 74.44 C ATOM 193 CG2 ILE A 13 -5.713 2.784 6.266 1.00 22.21 C ATOM 194 CD1 ILE A 13 -7.755 1.459 8.264 1.00 53.14 C ATOM 0 H ILE A 13 -9.061 4.581 7.512 1.00 51.44 H new ATOM 0 HA ILE A 13 -6.622 4.063 8.633 1.00 0.42 H new ATOM 0 HB ILE A 13 -7.485 3.845 5.701 1.00 31.24 H new ATOM 0 HG12 ILE A 13 -9.080 2.698 7.148 1.00 74.44 H new ATOM 0 HG13 ILE A 13 -8.184 1.544 6.180 1.00 74.44 H new ATOM 0 HG21 ILE A 13 -5.822 2.011 5.505 1.00 22.21 H new ATOM 0 HG22 ILE A 13 -5.062 3.573 5.891 1.00 22.21 H new ATOM 0 HG23 ILE A 13 -5.275 2.349 7.165 1.00 22.21 H new ATOM 0 HD11 ILE A 13 -8.525 0.709 8.445 1.00 53.14 H new ATOM 0 HD12 ILE A 13 -6.792 0.966 8.132 1.00 53.14 H new ATOM 0 HD13 ILE A 13 -7.702 2.137 9.115 1.00 53.14 H new ATOM 206 N ILE A 14 -6.358 6.361 6.207 1.00 4.51 N ATOM 207 CA ILE A 14 -5.507 7.409 5.599 1.00 24.43 C ATOM 208 C ILE A 14 -5.025 8.410 6.661 1.00 33.20 C ATOM 209 O ILE A 14 -3.831 8.675 6.756 1.00 22.21 O ATOM 210 CB ILE A 14 -6.258 8.173 4.432 1.00 3.20 C ATOM 211 CG1 ILE A 14 -6.531 7.200 3.243 1.00 73.30 C ATOM 212 CG2 ILE A 14 -5.474 9.432 3.953 1.00 4.41 C ATOM 213 CD1 ILE A 14 -7.350 7.782 2.116 1.00 73.35 C ATOM 0 H ILE A 14 -7.282 6.292 5.781 1.00 4.51 H new ATOM 0 HA ILE A 14 -4.640 6.907 5.169 1.00 24.43 H new ATOM 0 HB ILE A 14 -7.210 8.527 4.827 1.00 3.20 H new ATOM 0 HG12 ILE A 14 -5.575 6.864 2.841 1.00 73.30 H new ATOM 0 HG13 ILE A 14 -7.043 6.317 3.626 1.00 73.30 H new ATOM 0 HG21 ILE A 14 -6.028 9.923 3.153 1.00 4.41 H new ATOM 0 HG22 ILE A 14 -5.352 10.124 4.787 1.00 4.41 H new ATOM 0 HG23 ILE A 14 -4.493 9.131 3.584 1.00 4.41 H new ATOM 0 HD11 ILE A 14 -7.485 7.030 1.339 1.00 73.35 H new ATOM 0 HD12 ILE A 14 -8.324 8.091 2.496 1.00 73.35 H new ATOM 0 HD13 ILE A 14 -6.833 8.646 1.699 1.00 73.35 H new ATOM 225 N GLU A 15 -5.966 8.903 7.485 1.00 23.33 N ATOM 226 CA GLU A 15 -5.701 9.963 8.477 1.00 63.42 C ATOM 227 C GLU A 15 -4.850 9.465 9.662 1.00 3.42 C ATOM 228 O GLU A 15 -4.027 10.222 10.189 1.00 31.42 O ATOM 229 CB GLU A 15 -7.031 10.583 8.969 1.00 45.31 C ATOM 230 CG GLU A 15 -7.819 11.297 7.854 1.00 65.41 C ATOM 231 CD GLU A 15 -9.025 12.095 8.374 1.00 74.42 C ATOM 232 OE1 GLU A 15 -9.021 13.344 8.277 1.00 62.23 O ATOM 233 OE2 GLU A 15 -9.974 11.478 8.899 1.00 50.54 O ATOM 0 H GLU A 15 -6.933 8.578 7.483 1.00 23.33 H new ATOM 0 HA GLU A 15 -5.115 10.735 7.978 1.00 63.42 H new ATOM 0 HB2 GLU A 15 -7.653 9.798 9.398 1.00 45.31 H new ATOM 0 HB3 GLU A 15 -6.819 11.294 9.767 1.00 45.31 H new ATOM 0 HG2 GLU A 15 -7.149 11.971 7.321 1.00 65.41 H new ATOM 0 HG3 GLU A 15 -8.166 10.557 7.133 1.00 65.41 H new ATOM 240 N GLU A 16 -5.050 8.200 10.062 1.00 1.11 N ATOM 241 CA GLU A 16 -4.273 7.554 11.144 1.00 62.43 C ATOM 242 C GLU A 16 -2.789 7.430 10.761 1.00 0.23 C ATOM 243 O GLU A 16 -1.899 7.770 11.549 1.00 44.42 O ATOM 244 CB GLU A 16 -4.868 6.151 11.453 1.00 50.10 C ATOM 245 CG GLU A 16 -6.166 6.172 12.284 1.00 50.15 C ATOM 246 CD GLU A 16 -5.925 6.435 13.784 1.00 35.45 C ATOM 247 OE1 GLU A 16 -5.408 5.530 14.473 1.00 72.30 O ATOM 248 OE2 GLU A 16 -6.259 7.527 14.289 1.00 23.35 O ATOM 0 H GLU A 16 -5.755 7.591 9.647 1.00 1.11 H new ATOM 0 HA GLU A 16 -4.339 8.178 12.035 1.00 62.43 H new ATOM 0 HB2 GLU A 16 -5.064 5.639 10.511 1.00 50.10 H new ATOM 0 HB3 GLU A 16 -4.121 5.563 11.986 1.00 50.10 H new ATOM 0 HG2 GLU A 16 -6.830 6.941 11.889 1.00 50.15 H new ATOM 0 HG3 GLU A 16 -6.679 5.218 12.167 1.00 50.15 H new ATOM 255 N VAL A 17 -2.545 6.951 9.534 1.00 72.22 N ATOM 256 CA VAL A 17 -1.185 6.721 9.016 1.00 44.21 C ATOM 257 C VAL A 17 -0.517 8.045 8.589 1.00 3.33 C ATOM 258 O VAL A 17 0.701 8.187 8.698 1.00 75.50 O ATOM 259 CB VAL A 17 -1.212 5.705 7.820 1.00 50.11 C ATOM 260 CG1 VAL A 17 0.208 5.416 7.275 1.00 23.10 C ATOM 261 CG2 VAL A 17 -1.939 4.399 8.231 1.00 61.11 C ATOM 0 H VAL A 17 -3.282 6.711 8.871 1.00 72.22 H new ATOM 0 HA VAL A 17 -0.590 6.291 9.822 1.00 44.21 H new ATOM 0 HB VAL A 17 -1.773 6.165 7.006 1.00 50.11 H new ATOM 0 HG11 VAL A 17 0.143 4.708 6.449 1.00 23.10 H new ATOM 0 HG12 VAL A 17 0.659 6.344 6.924 1.00 23.10 H new ATOM 0 HG13 VAL A 17 0.823 4.992 8.069 1.00 23.10 H new ATOM 0 HG21 VAL A 17 -1.948 3.707 7.389 1.00 61.11 H new ATOM 0 HG22 VAL A 17 -1.417 3.941 9.072 1.00 61.11 H new ATOM 0 HG23 VAL A 17 -2.964 4.629 8.522 1.00 61.11 H new ATOM 271 N SER A 18 -1.332 9.000 8.104 1.00 25.43 N ATOM 272 CA SER A 18 -0.872 10.347 7.707 1.00 12.45 C ATOM 273 C SER A 18 -0.338 11.107 8.926 1.00 64.14 C ATOM 274 O SER A 18 0.739 11.717 8.877 1.00 31.03 O ATOM 275 CB SER A 18 -2.036 11.134 7.052 1.00 41.30 C ATOM 276 OG SER A 18 -1.596 12.354 6.492 1.00 25.22 O ATOM 0 H SER A 18 -2.334 8.860 7.975 1.00 25.43 H new ATOM 0 HA SER A 18 -0.065 10.243 6.982 1.00 12.45 H new ATOM 0 HB2 SER A 18 -2.496 10.523 6.275 1.00 41.30 H new ATOM 0 HB3 SER A 18 -2.805 11.333 7.798 1.00 41.30 H new ATOM 0 HG SER A 18 -2.356 12.821 6.087 1.00 25.22 H new ATOM 282 N LYS A 19 -1.115 11.039 10.019 1.00 23.40 N ATOM 283 CA LYS A 19 -0.757 11.640 11.305 1.00 60.50 C ATOM 284 C LYS A 19 0.524 10.984 11.859 1.00 62.14 C ATOM 285 O LYS A 19 1.437 11.688 12.277 1.00 11.32 O ATOM 286 CB LYS A 19 -1.960 11.526 12.297 1.00 0.22 C ATOM 287 CG LYS A 19 -1.692 11.944 13.770 1.00 35.21 C ATOM 288 CD LYS A 19 -1.008 13.328 13.942 1.00 72.00 C ATOM 289 CE LYS A 19 -1.764 14.502 13.305 1.00 74.03 C ATOM 290 NZ LYS A 19 -0.997 15.768 13.438 1.00 25.35 N ATOM 0 H LYS A 19 -2.016 10.561 10.031 1.00 23.40 H new ATOM 0 HA LYS A 19 -0.543 12.700 11.170 1.00 60.50 H new ATOM 0 HB2 LYS A 19 -2.777 12.137 11.913 1.00 0.22 H new ATOM 0 HB3 LYS A 19 -2.307 10.493 12.294 1.00 0.22 H new ATOM 0 HG2 LYS A 19 -2.640 11.954 14.308 1.00 35.21 H new ATOM 0 HG3 LYS A 19 -1.067 11.185 14.240 1.00 35.21 H new ATOM 0 HD2 LYS A 19 -0.886 13.528 15.007 1.00 72.00 H new ATOM 0 HD3 LYS A 19 -0.009 13.280 13.510 1.00 72.00 H new ATOM 0 HE2 LYS A 19 -1.946 14.292 12.251 1.00 74.03 H new ATOM 0 HE3 LYS A 19 -2.739 14.612 13.781 1.00 74.03 H new ATOM 0 HZ1 LYS A 19 -1.657 16.570 13.490 1.00 25.35 H new ATOM 0 HZ2 LYS A 19 -0.422 15.736 14.304 1.00 25.35 H new ATOM 0 HZ3 LYS A 19 -0.374 15.885 12.613 1.00 25.35 H new ATOM 304 N LYS A 20 0.587 9.646 11.804 1.00 43.40 N ATOM 305 CA LYS A 20 1.775 8.871 12.226 1.00 60.42 C ATOM 306 C LYS A 20 3.041 9.284 11.439 1.00 4.24 C ATOM 307 O LYS A 20 4.109 9.514 12.026 1.00 74.15 O ATOM 308 CB LYS A 20 1.503 7.363 12.042 1.00 51.23 C ATOM 309 CG LYS A 20 2.686 6.472 12.464 1.00 54.41 C ATOM 310 CD LYS A 20 2.323 4.981 12.490 1.00 11.52 C ATOM 311 CE LYS A 20 3.460 4.126 13.047 1.00 51.43 C ATOM 312 NZ LYS A 20 3.902 4.583 14.390 1.00 54.43 N ATOM 0 H LYS A 20 -0.181 9.066 11.467 1.00 43.40 H new ATOM 0 HA LYS A 20 1.960 9.086 13.278 1.00 60.42 H new ATOM 0 HB2 LYS A 20 0.624 7.086 12.624 1.00 51.23 H new ATOM 0 HB3 LYS A 20 1.267 7.169 10.996 1.00 51.23 H new ATOM 0 HG2 LYS A 20 3.517 6.628 11.776 1.00 54.41 H new ATOM 0 HG3 LYS A 20 3.030 6.776 13.453 1.00 54.41 H new ATOM 0 HD2 LYS A 20 1.429 4.836 13.097 1.00 11.52 H new ATOM 0 HD3 LYS A 20 2.080 4.649 11.481 1.00 11.52 H new ATOM 0 HE2 LYS A 20 3.135 3.087 13.108 1.00 51.43 H new ATOM 0 HE3 LYS A 20 4.305 4.156 12.359 1.00 51.43 H new ATOM 0 HZ1 LYS A 20 4.577 3.897 14.785 1.00 54.43 H new ATOM 0 HZ2 LYS A 20 4.362 5.512 14.307 1.00 54.43 H new ATOM 0 HZ3 LYS A 20 3.078 4.660 15.019 1.00 54.43 H new ATOM 326 N ALA A 21 2.885 9.399 10.110 1.00 52.24 N ATOM 327 CA ALA A 21 3.981 9.749 9.187 1.00 15.32 C ATOM 328 C ALA A 21 4.457 11.192 9.409 1.00 12.42 C ATOM 329 O ALA A 21 5.636 11.495 9.228 1.00 2.25 O ATOM 330 CB ALA A 21 3.532 9.550 7.731 1.00 61.12 C ATOM 0 H ALA A 21 1.991 9.251 9.642 1.00 52.24 H new ATOM 0 HA ALA A 21 4.821 9.085 9.392 1.00 15.32 H new ATOM 0 HB1 ALA A 21 4.349 9.812 7.059 1.00 61.12 H new ATOM 0 HB2 ALA A 21 3.254 8.508 7.575 1.00 61.12 H new ATOM 0 HB3 ALA A 21 2.674 10.189 7.524 1.00 61.12 H new ATOM 336 N GLU A 22 3.520 12.066 9.812 1.00 51.44 N ATOM 337 CA GLU A 22 3.797 13.483 10.090 1.00 52.14 C ATOM 338 C GLU A 22 4.606 13.626 11.394 1.00 71.42 C ATOM 339 O GLU A 22 5.621 14.328 11.426 1.00 53.43 O ATOM 340 CB GLU A 22 2.459 14.265 10.179 1.00 24.34 C ATOM 341 CG GLU A 22 2.618 15.787 10.317 1.00 32.34 C ATOM 342 CD GLU A 22 1.274 16.514 10.465 1.00 14.31 C ATOM 343 OE1 GLU A 22 0.893 16.855 11.608 1.00 13.13 O ATOM 344 OE2 GLU A 22 0.588 16.735 9.437 1.00 5.34 O ATOM 0 H GLU A 22 2.544 11.807 9.955 1.00 51.44 H new ATOM 0 HA GLU A 22 4.394 13.900 9.279 1.00 52.14 H new ATOM 0 HB2 GLU A 22 1.869 14.054 9.287 1.00 24.34 H new ATOM 0 HB3 GLU A 22 1.891 13.893 11.032 1.00 24.34 H new ATOM 0 HG2 GLU A 22 3.242 16.006 11.184 1.00 32.34 H new ATOM 0 HG3 GLU A 22 3.141 16.174 9.442 1.00 32.34 H new ATOM 351 N GLU A 23 4.151 12.921 12.452 1.00 63.45 N ATOM 352 CA GLU A 23 4.797 12.935 13.780 1.00 74.11 C ATOM 353 C GLU A 23 6.239 12.404 13.718 1.00 70.53 C ATOM 354 O GLU A 23 7.155 13.005 14.290 1.00 62.53 O ATOM 355 CB GLU A 23 3.978 12.097 14.801 1.00 14.42 C ATOM 356 CG GLU A 23 2.555 12.614 15.081 1.00 62.21 C ATOM 357 CD GLU A 23 2.495 14.073 15.565 1.00 61.12 C ATOM 358 OE1 GLU A 23 3.174 14.403 16.562 1.00 45.53 O ATOM 359 OE2 GLU A 23 1.741 14.885 14.979 1.00 23.43 O ATOM 0 H GLU A 23 3.324 12.326 12.408 1.00 63.45 H new ATOM 0 HA GLU A 23 4.828 13.974 14.108 1.00 74.11 H new ATOM 0 HB2 GLU A 23 3.910 11.073 14.434 1.00 14.42 H new ATOM 0 HB3 GLU A 23 4.527 12.063 15.742 1.00 14.42 H new ATOM 0 HG2 GLU A 23 1.962 12.521 14.171 1.00 62.21 H new ATOM 0 HG3 GLU A 23 2.090 11.975 15.832 1.00 62.21 H new ATOM 366 N GLU A 24 6.422 11.275 13.018 1.00 1.45 N ATOM 367 CA GLU A 24 7.741 10.639 12.854 1.00 74.02 C ATOM 368 C GLU A 24 8.612 11.385 11.824 1.00 71.21 C ATOM 369 O GLU A 24 9.845 11.258 11.845 1.00 45.42 O ATOM 370 CB GLU A 24 7.564 9.162 12.416 1.00 15.41 C ATOM 371 CG GLU A 24 6.900 8.233 13.459 1.00 60.34 C ATOM 372 CD GLU A 24 7.679 8.174 14.781 1.00 43.01 C ATOM 373 OE1 GLU A 24 8.852 7.741 14.766 1.00 73.11 O ATOM 374 OE2 GLU A 24 7.138 8.567 15.840 1.00 32.30 O ATOM 0 H GLU A 24 5.664 10.777 12.551 1.00 1.45 H new ATOM 0 HA GLU A 24 8.251 10.681 13.817 1.00 74.02 H new ATOM 0 HB2 GLU A 24 6.967 9.141 11.504 1.00 15.41 H new ATOM 0 HB3 GLU A 24 8.544 8.756 12.165 1.00 15.41 H new ATOM 0 HG2 GLU A 24 5.886 8.580 13.655 1.00 60.34 H new ATOM 0 HG3 GLU A 24 6.819 7.228 13.045 1.00 60.34 H new ATOM 381 N GLY A 25 7.961 12.157 10.939 1.00 52.32 N ATOM 382 CA GLY A 25 8.650 12.875 9.866 1.00 33.34 C ATOM 383 C GLY A 25 8.969 11.990 8.662 1.00 20.21 C ATOM 384 O GLY A 25 9.852 12.327 7.867 1.00 74.51 O ATOM 0 H GLY A 25 6.951 12.297 10.950 1.00 52.32 H new ATOM 0 HA2 GLY A 25 8.031 13.711 9.541 1.00 33.34 H new ATOM 0 HA3 GLY A 25 9.577 13.296 10.255 1.00 33.34 H new ATOM 388 N TYR A 26 8.256 10.840 8.540 1.00 63.31 N ATOM 389 CA TYR A 26 8.353 9.954 7.366 1.00 1.44 C ATOM 390 C TYR A 26 7.806 10.690 6.119 1.00 40.22 C ATOM 391 O TYR A 26 6.644 11.119 6.128 1.00 2.41 O ATOM 392 CB TYR A 26 7.526 8.649 7.576 1.00 44.41 C ATOM 393 CG TYR A 26 8.013 7.676 8.663 1.00 4.01 C ATOM 394 CD1 TYR A 26 9.353 7.302 8.759 1.00 3.11 C ATOM 395 CD2 TYR A 26 7.109 7.070 9.549 1.00 32.42 C ATOM 396 CE1 TYR A 26 9.776 6.378 9.701 1.00 51.52 C ATOM 397 CE2 TYR A 26 7.533 6.151 10.497 1.00 70.01 C ATOM 398 CZ TYR A 26 8.868 5.807 10.564 1.00 34.25 C ATOM 399 OH TYR A 26 9.300 4.888 11.499 1.00 61.35 O ATOM 0 H TYR A 26 7.604 10.509 9.251 1.00 63.31 H new ATOM 0 HA TYR A 26 9.401 9.689 7.227 1.00 1.44 H new ATOM 0 HB2 TYR A 26 6.500 8.933 7.812 1.00 44.41 H new ATOM 0 HB3 TYR A 26 7.498 8.111 6.629 1.00 44.41 H new ATOM 0 HD1 TYR A 26 10.075 7.741 8.086 1.00 3.11 H new ATOM 0 HD2 TYR A 26 6.061 7.325 9.491 1.00 32.42 H new ATOM 0 HE1 TYR A 26 10.819 6.105 9.758 1.00 51.52 H new ATOM 0 HE2 TYR A 26 6.823 5.707 11.179 1.00 70.01 H new ATOM 0 HH TYR A 26 8.958 5.136 12.383 1.00 61.35 H new ATOM 409 N ASP A 27 8.647 10.844 5.073 1.00 15.25 N ATOM 410 CA ASP A 27 8.227 11.420 3.777 1.00 23.21 C ATOM 411 C ASP A 27 7.254 10.453 3.070 1.00 52.43 C ATOM 412 O ASP A 27 7.680 9.512 2.387 1.00 64.02 O ATOM 413 CB ASP A 27 9.464 11.725 2.882 1.00 20.44 C ATOM 414 CG ASP A 27 9.083 12.153 1.447 1.00 52.24 C ATOM 415 OD1 ASP A 27 9.295 11.366 0.490 1.00 22.24 O ATOM 416 OD2 ASP A 27 8.563 13.277 1.268 1.00 12.35 O ATOM 0 H ASP A 27 9.630 10.574 5.103 1.00 15.25 H new ATOM 0 HA ASP A 27 7.712 12.363 3.957 1.00 23.21 H new ATOM 0 HB2 ASP A 27 10.055 12.515 3.346 1.00 20.44 H new ATOM 0 HB3 ASP A 27 10.098 10.839 2.834 1.00 20.44 H new ATOM 421 N ILE A 28 5.942 10.655 3.311 1.00 32.04 N ATOM 422 CA ILE A 28 4.868 9.811 2.759 1.00 60.55 C ATOM 423 C ILE A 28 3.733 10.692 2.192 1.00 64.03 C ATOM 424 O ILE A 28 3.218 11.576 2.887 1.00 73.20 O ATOM 425 CB ILE A 28 4.264 8.826 3.842 1.00 43.15 C ATOM 426 CG1 ILE A 28 5.374 7.925 4.485 1.00 53.12 C ATOM 427 CG2 ILE A 28 3.150 7.954 3.221 1.00 33.44 C ATOM 428 CD1 ILE A 28 4.867 6.859 5.445 1.00 52.04 C ATOM 0 H ILE A 28 5.598 11.415 3.899 1.00 32.04 H new ATOM 0 HA ILE A 28 5.313 9.212 1.964 1.00 60.55 H new ATOM 0 HB ILE A 28 3.831 9.434 4.636 1.00 43.15 H new ATOM 0 HG12 ILE A 28 5.931 7.436 3.686 1.00 53.12 H new ATOM 0 HG13 ILE A 28 6.077 8.566 5.017 1.00 53.12 H new ATOM 0 HG21 ILE A 28 2.747 7.284 3.980 1.00 33.44 H new ATOM 0 HG22 ILE A 28 2.354 8.595 2.844 1.00 33.44 H new ATOM 0 HG23 ILE A 28 3.562 7.367 2.400 1.00 33.44 H new ATOM 0 HD11 ILE A 28 5.711 6.290 5.835 1.00 52.04 H new ATOM 0 HD12 ILE A 28 4.337 7.335 6.270 1.00 52.04 H new ATOM 0 HD13 ILE A 28 4.189 6.187 4.918 1.00 52.04 H new ATOM 440 N GLN A 29 3.363 10.442 0.925 1.00 41.30 N ATOM 441 CA GLN A 29 2.176 11.031 0.294 1.00 52.53 C ATOM 442 C GLN A 29 0.971 10.106 0.544 1.00 74.42 C ATOM 443 O GLN A 29 0.941 8.981 0.049 1.00 32.24 O ATOM 444 CB GLN A 29 2.418 11.218 -1.232 1.00 53.33 C ATOM 445 CG GLN A 29 1.204 11.745 -2.039 1.00 2.21 C ATOM 446 CD GLN A 29 0.667 13.098 -1.551 1.00 42.43 C ATOM 447 OE1 GLN A 29 1.129 14.157 -1.979 1.00 62.51 O ATOM 448 NE2 GLN A 29 -0.334 13.078 -0.683 1.00 35.12 N ATOM 0 H GLN A 29 3.885 9.820 0.307 1.00 41.30 H new ATOM 0 HA GLN A 29 1.974 12.011 0.725 1.00 52.53 H new ATOM 0 HB2 GLN A 29 3.250 11.908 -1.369 1.00 53.33 H new ATOM 0 HB3 GLN A 29 2.725 10.261 -1.654 1.00 53.33 H new ATOM 0 HG2 GLN A 29 1.490 11.836 -3.087 1.00 2.21 H new ATOM 0 HG3 GLN A 29 0.402 11.009 -1.990 1.00 2.21 H new ATOM 0 HE21 GLN A 29 -0.698 12.187 -0.345 1.00 35.12 H new ATOM 0 HE22 GLN A 29 -0.741 13.953 -0.353 1.00 35.12 H new ATOM 457 N THR A 30 -0.008 10.584 1.323 1.00 14.04 N ATOM 458 CA THR A 30 -1.240 9.827 1.617 1.00 2.12 C ATOM 459 C THR A 30 -2.357 10.286 0.666 1.00 71.03 C ATOM 460 O THR A 30 -2.576 11.493 0.503 1.00 32.22 O ATOM 461 CB THR A 30 -1.667 10.003 3.114 1.00 73.14 C ATOM 462 OG1 THR A 30 -1.760 11.400 3.447 1.00 41.33 O ATOM 463 CG2 THR A 30 -0.674 9.310 4.069 1.00 14.45 C ATOM 0 H THR A 30 0.027 11.502 1.767 1.00 14.04 H new ATOM 0 HA THR A 30 -1.051 8.765 1.459 1.00 2.12 H new ATOM 0 HB THR A 30 -2.644 9.534 3.234 1.00 73.14 H new ATOM 0 HG1 THR A 30 -1.676 11.511 4.417 1.00 41.33 H new ATOM 0 HG21 THR A 30 -1.001 9.452 5.099 1.00 14.45 H new ATOM 0 HG22 THR A 30 -0.636 8.244 3.844 1.00 14.45 H new ATOM 0 HG23 THR A 30 0.318 9.743 3.940 1.00 14.45 H new ATOM 471 N SER A 31 -3.044 9.317 0.029 1.00 13.33 N ATOM 472 CA SER A 31 -4.006 9.597 -1.056 1.00 31.01 C ATOM 473 C SER A 31 -5.100 8.512 -1.125 1.00 14.10 C ATOM 474 O SER A 31 -4.922 7.399 -0.608 1.00 62.53 O ATOM 475 CB SER A 31 -3.243 9.700 -2.405 1.00 13.01 C ATOM 476 OG SER A 31 -4.085 10.145 -3.459 1.00 24.14 O ATOM 0 H SER A 31 -2.949 8.326 0.250 1.00 13.33 H new ATOM 0 HA SER A 31 -4.503 10.545 -0.851 1.00 31.01 H new ATOM 0 HB2 SER A 31 -2.404 10.388 -2.296 1.00 13.01 H new ATOM 0 HB3 SER A 31 -2.825 8.726 -2.661 1.00 13.01 H new ATOM 0 HG SER A 31 -3.568 10.198 -4.290 1.00 24.14 H new ATOM 482 N ASN A 32 -6.230 8.868 -1.769 1.00 41.12 N ATOM 483 CA ASN A 32 -7.413 7.993 -1.918 1.00 20.12 C ATOM 484 C ASN A 32 -7.521 7.440 -3.358 1.00 53.23 C ATOM 485 O ASN A 32 -7.735 6.236 -3.557 1.00 4.42 O ATOM 486 CB ASN A 32 -8.696 8.787 -1.530 1.00 61.22 C ATOM 487 CG ASN A 32 -10.015 7.993 -1.642 1.00 45.21 C ATOM 488 OD1 ASN A 32 -11.060 8.560 -1.965 1.00 64.23 O ATOM 489 ND2 ASN A 32 -9.998 6.698 -1.342 1.00 71.41 N ATOM 0 H ASN A 32 -6.349 9.782 -2.206 1.00 41.12 H new ATOM 0 HA ASN A 32 -7.306 7.138 -1.250 1.00 20.12 H new ATOM 0 HB2 ASN A 32 -8.589 9.142 -0.505 1.00 61.22 H new ATOM 0 HB3 ASN A 32 -8.765 9.669 -2.167 1.00 61.22 H new ATOM 0 HD21 ASN A 32 -10.861 6.155 -1.377 1.00 71.41 H new ATOM 0 HD22 ASN A 32 -9.122 6.247 -1.077 1.00 71.41 H new ATOM 496 N ASP A 33 -7.363 8.339 -4.353 1.00 5.42 N ATOM 497 CA ASP A 33 -7.499 8.005 -5.786 1.00 51.31 C ATOM 498 C ASP A 33 -6.262 7.228 -6.274 1.00 31.32 C ATOM 499 O ASP A 33 -5.164 7.796 -6.378 1.00 1.42 O ATOM 500 CB ASP A 33 -7.693 9.297 -6.628 1.00 63.42 C ATOM 501 CG ASP A 33 -7.829 9.023 -8.143 1.00 24.32 C ATOM 502 OD1 ASP A 33 -6.817 9.110 -8.874 1.00 72.42 O ATOM 503 OD2 ASP A 33 -8.945 8.706 -8.605 1.00 42.11 O ATOM 0 H ASP A 33 -7.137 9.319 -4.184 1.00 5.42 H new ATOM 0 HA ASP A 33 -8.379 7.374 -5.913 1.00 51.31 H new ATOM 0 HB2 ASP A 33 -8.583 9.820 -6.279 1.00 63.42 H new ATOM 0 HB3 ASP A 33 -6.846 9.962 -6.460 1.00 63.42 H new ATOM 508 N LYS A 34 -6.453 5.927 -6.557 1.00 22.11 N ATOM 509 CA LYS A 34 -5.367 5.034 -7.006 1.00 14.33 C ATOM 510 C LYS A 34 -4.885 5.351 -8.431 1.00 42.24 C ATOM 511 O LYS A 34 -3.761 5.013 -8.771 1.00 53.45 O ATOM 512 CB LYS A 34 -5.773 3.526 -6.904 1.00 11.43 C ATOM 513 CG LYS A 34 -6.710 2.959 -8.010 1.00 23.12 C ATOM 514 CD LYS A 34 -8.175 3.437 -7.912 1.00 63.42 C ATOM 515 CE LYS A 34 -8.853 3.035 -6.589 1.00 65.02 C ATOM 516 NZ LYS A 34 -10.310 3.345 -6.603 1.00 31.14 N ATOM 0 H LYS A 34 -7.360 5.466 -6.482 1.00 22.11 H new ATOM 0 HA LYS A 34 -4.536 5.220 -6.326 1.00 14.33 H new ATOM 0 HB2 LYS A 34 -4.860 2.931 -6.899 1.00 11.43 H new ATOM 0 HB3 LYS A 34 -6.259 3.373 -5.940 1.00 11.43 H new ATOM 0 HG2 LYS A 34 -6.313 3.241 -8.985 1.00 23.12 H new ATOM 0 HG3 LYS A 34 -6.692 1.870 -7.961 1.00 23.12 H new ATOM 0 HD2 LYS A 34 -8.205 4.522 -8.014 1.00 63.42 H new ATOM 0 HD3 LYS A 34 -8.743 3.023 -8.745 1.00 63.42 H new ATOM 0 HE2 LYS A 34 -8.709 1.969 -6.415 1.00 65.02 H new ATOM 0 HE3 LYS A 34 -8.377 3.560 -5.761 1.00 65.02 H new ATOM 0 HZ1 LYS A 34 -10.734 3.061 -5.697 1.00 31.14 H new ATOM 0 HZ2 LYS A 34 -10.446 4.366 -6.744 1.00 31.14 H new ATOM 0 HZ3 LYS A 34 -10.768 2.824 -7.378 1.00 31.14 H new ATOM 530 N LYS A 35 -5.727 6.023 -9.235 1.00 44.13 N ATOM 531 CA LYS A 35 -5.490 6.206 -10.688 1.00 12.20 C ATOM 532 C LYS A 35 -4.325 7.179 -10.965 1.00 74.32 C ATOM 533 O LYS A 35 -3.544 6.987 -11.910 1.00 1.15 O ATOM 534 CB LYS A 35 -6.797 6.701 -11.364 1.00 44.22 C ATOM 535 CG LYS A 35 -7.991 5.729 -11.198 1.00 13.15 C ATOM 536 CD LYS A 35 -7.734 4.338 -11.826 1.00 31.41 C ATOM 537 CE LYS A 35 -7.578 4.397 -13.355 1.00 14.44 C ATOM 538 NZ LYS A 35 -7.138 3.099 -13.926 1.00 43.01 N ATOM 0 H LYS A 35 -6.589 6.455 -8.903 1.00 44.13 H new ATOM 0 HA LYS A 35 -5.203 5.244 -11.112 1.00 12.20 H new ATOM 0 HB2 LYS A 35 -7.068 7.670 -10.945 1.00 44.22 H new ATOM 0 HB3 LYS A 35 -6.610 6.855 -12.427 1.00 44.22 H new ATOM 0 HG2 LYS A 35 -8.208 5.607 -10.137 1.00 13.15 H new ATOM 0 HG3 LYS A 35 -8.877 6.170 -11.656 1.00 13.15 H new ATOM 0 HD2 LYS A 35 -6.833 3.908 -11.389 1.00 31.41 H new ATOM 0 HD3 LYS A 35 -8.560 3.672 -11.574 1.00 31.41 H new ATOM 0 HE2 LYS A 35 -8.528 4.686 -13.804 1.00 14.44 H new ATOM 0 HE3 LYS A 35 -6.855 5.170 -13.615 1.00 14.44 H new ATOM 0 HZ1 LYS A 35 -7.047 3.187 -14.958 1.00 43.01 H new ATOM 0 HZ2 LYS A 35 -6.219 2.834 -13.518 1.00 43.01 H new ATOM 0 HZ3 LYS A 35 -7.840 2.365 -13.702 1.00 43.01 H new ATOM 552 N GLU A 36 -4.242 8.219 -10.129 1.00 74.14 N ATOM 553 CA GLU A 36 -3.175 9.234 -10.173 1.00 33.23 C ATOM 554 C GLU A 36 -1.847 8.630 -9.679 1.00 73.54 C ATOM 555 O GLU A 36 -0.775 8.902 -10.230 1.00 5.14 O ATOM 556 CB GLU A 36 -3.597 10.439 -9.293 1.00 35.12 C ATOM 557 CG GLU A 36 -2.594 11.603 -9.245 1.00 73.54 C ATOM 558 CD GLU A 36 -3.054 12.718 -8.300 1.00 43.23 C ATOM 559 OE1 GLU A 36 -3.788 13.625 -8.743 1.00 75.43 O ATOM 560 OE2 GLU A 36 -2.713 12.678 -7.101 1.00 61.24 O ATOM 0 H GLU A 36 -4.924 8.385 -9.389 1.00 74.14 H new ATOM 0 HA GLU A 36 -3.025 9.573 -11.198 1.00 33.23 H new ATOM 0 HB2 GLU A 36 -4.551 10.818 -9.659 1.00 35.12 H new ATOM 0 HB3 GLU A 36 -3.765 10.084 -8.276 1.00 35.12 H new ATOM 0 HG2 GLU A 36 -1.622 11.231 -8.921 1.00 73.54 H new ATOM 0 HG3 GLU A 36 -2.462 12.009 -10.248 1.00 73.54 H new ATOM 567 N ILE A 37 -1.953 7.787 -8.642 1.00 5.23 N ATOM 568 CA ILE A 37 -0.806 7.086 -8.036 1.00 23.14 C ATOM 569 C ILE A 37 -0.224 6.037 -9.019 1.00 31.31 C ATOM 570 O ILE A 37 0.995 5.847 -9.096 1.00 75.33 O ATOM 571 CB ILE A 37 -1.250 6.420 -6.676 1.00 41.13 C ATOM 572 CG1 ILE A 37 -1.879 7.493 -5.713 1.00 21.35 C ATOM 573 CG2 ILE A 37 -0.083 5.687 -5.993 1.00 64.24 C ATOM 574 CD1 ILE A 37 -0.989 8.702 -5.397 1.00 23.11 C ATOM 0 H ILE A 37 -2.843 7.569 -8.195 1.00 5.23 H new ATOM 0 HA ILE A 37 -0.015 7.806 -7.825 1.00 23.14 H new ATOM 0 HB ILE A 37 -2.011 5.674 -6.907 1.00 41.13 H new ATOM 0 HG12 ILE A 37 -2.807 7.854 -6.157 1.00 21.35 H new ATOM 0 HG13 ILE A 37 -2.143 7.004 -4.775 1.00 21.35 H new ATOM 0 HG21 ILE A 37 -0.429 5.242 -5.060 1.00 64.24 H new ATOM 0 HG22 ILE A 37 0.290 4.903 -6.652 1.00 64.24 H new ATOM 0 HG23 ILE A 37 0.718 6.395 -5.782 1.00 64.24 H new ATOM 0 HD11 ILE A 37 -1.519 9.378 -4.726 1.00 23.11 H new ATOM 0 HD12 ILE A 37 -0.070 8.362 -4.919 1.00 23.11 H new ATOM 0 HD13 ILE A 37 -0.745 9.226 -6.321 1.00 23.11 H new ATOM 586 N ILE A 38 -1.134 5.400 -9.783 1.00 41.40 N ATOM 587 CA ILE A 38 -0.813 4.477 -10.900 1.00 61.33 C ATOM 588 C ILE A 38 0.042 5.196 -11.965 1.00 44.35 C ATOM 589 O ILE A 38 1.029 4.640 -12.461 1.00 32.35 O ATOM 590 CB ILE A 38 -2.162 3.895 -11.523 1.00 51.25 C ATOM 591 CG1 ILE A 38 -2.707 2.715 -10.641 1.00 43.01 C ATOM 592 CG2 ILE A 38 -2.032 3.483 -13.016 1.00 25.12 C ATOM 593 CD1 ILE A 38 -4.072 2.188 -11.053 1.00 12.40 C ATOM 0 H ILE A 38 -2.138 5.513 -9.640 1.00 41.40 H new ATOM 0 HA ILE A 38 -0.226 3.641 -10.521 1.00 61.33 H new ATOM 0 HB ILE A 38 -2.888 4.708 -11.512 1.00 51.25 H new ATOM 0 HG12 ILE A 38 -1.991 1.894 -10.675 1.00 43.01 H new ATOM 0 HG13 ILE A 38 -2.760 3.049 -9.605 1.00 43.01 H new ATOM 0 HG21 ILE A 38 -2.987 3.097 -13.371 1.00 25.12 H new ATOM 0 HG22 ILE A 38 -1.748 4.352 -13.610 1.00 25.12 H new ATOM 0 HG23 ILE A 38 -1.269 2.711 -13.115 1.00 25.12 H new ATOM 0 HD11 ILE A 38 -4.365 1.376 -10.387 1.00 12.40 H new ATOM 0 HD12 ILE A 38 -4.806 2.991 -10.990 1.00 12.40 H new ATOM 0 HD13 ILE A 38 -4.025 1.818 -12.077 1.00 12.40 H new ATOM 605 N ASP A 39 -0.335 6.457 -12.257 1.00 4.01 N ATOM 606 CA ASP A 39 0.353 7.316 -13.242 1.00 22.42 C ATOM 607 C ASP A 39 1.806 7.612 -12.810 1.00 13.42 C ATOM 608 O ASP A 39 2.709 7.673 -13.648 1.00 65.22 O ATOM 609 CB ASP A 39 -0.452 8.629 -13.437 1.00 21.10 C ATOM 610 CG ASP A 39 0.172 9.597 -14.461 1.00 33.44 C ATOM 611 OD1 ASP A 39 0.759 10.625 -14.055 1.00 54.30 O ATOM 612 OD2 ASP A 39 0.069 9.333 -15.678 1.00 13.43 O ATOM 0 H ASP A 39 -1.132 6.912 -11.812 1.00 4.01 H new ATOM 0 HA ASP A 39 0.404 6.787 -14.194 1.00 22.42 H new ATOM 0 HB2 ASP A 39 -1.464 8.379 -13.757 1.00 21.10 H new ATOM 0 HB3 ASP A 39 -0.538 9.137 -12.477 1.00 21.10 H new ATOM 617 N ARG A 40 2.022 7.764 -11.487 1.00 42.52 N ATOM 618 CA ARG A 40 3.364 8.030 -10.920 1.00 5.24 C ATOM 619 C ARG A 40 4.213 6.738 -10.890 1.00 23.24 C ATOM 620 O ARG A 40 5.436 6.795 -11.050 1.00 50.10 O ATOM 621 CB ARG A 40 3.258 8.660 -9.505 1.00 54.23 C ATOM 622 CG ARG A 40 2.371 9.922 -9.441 1.00 12.21 C ATOM 623 CD ARG A 40 2.463 10.674 -8.099 1.00 32.01 C ATOM 624 NE ARG A 40 3.791 11.301 -7.908 1.00 12.25 N ATOM 625 CZ ARG A 40 4.017 12.573 -7.521 1.00 62.21 C ATOM 626 NH1 ARG A 40 3.019 13.403 -7.253 1.00 31.54 N ATOM 627 NH2 ARG A 40 5.259 13.006 -7.410 1.00 31.34 N ATOM 0 H ARG A 40 1.282 7.707 -10.787 1.00 42.52 H new ATOM 0 HA ARG A 40 3.866 8.749 -11.567 1.00 5.24 H new ATOM 0 HB2 ARG A 40 2.861 7.915 -8.816 1.00 54.23 H new ATOM 0 HB3 ARG A 40 4.259 8.915 -9.157 1.00 54.23 H new ATOM 0 HG2 ARG A 40 2.657 10.598 -10.247 1.00 12.21 H new ATOM 0 HG3 ARG A 40 1.334 9.636 -9.617 1.00 12.21 H new ATOM 0 HD2 ARG A 40 1.690 11.441 -8.059 1.00 32.01 H new ATOM 0 HD3 ARG A 40 2.267 9.981 -7.280 1.00 32.01 H new ATOM 0 HE ARG A 40 4.609 10.718 -8.085 1.00 12.25 H new ATOM 0 HH11 ARG A 40 2.054 13.084 -7.338 1.00 31.54 H new ATOM 0 HH12 ARG A 40 3.216 14.361 -6.962 1.00 31.54 H new ATOM 0 HH21 ARG A 40 6.038 12.380 -7.616 1.00 31.34 H new ATOM 0 HH22 ARG A 40 5.440 13.966 -7.118 1.00 31.34 H new ATOM 641 N LEU A 41 3.551 5.577 -10.694 1.00 62.21 N ATOM 642 CA LEU A 41 4.205 4.245 -10.777 1.00 14.22 C ATOM 643 C LEU A 41 4.740 3.983 -12.210 1.00 53.51 C ATOM 644 O LEU A 41 5.808 3.384 -12.383 1.00 62.03 O ATOM 645 CB LEU A 41 3.219 3.116 -10.353 1.00 12.42 C ATOM 646 CG LEU A 41 2.785 3.081 -8.850 1.00 14.53 C ATOM 647 CD1 LEU A 41 1.621 2.086 -8.626 1.00 31.14 C ATOM 648 CD2 LEU A 41 3.984 2.748 -7.929 1.00 22.21 C ATOM 0 H LEU A 41 2.556 5.532 -10.475 1.00 62.21 H new ATOM 0 HA LEU A 41 5.049 4.242 -10.087 1.00 14.22 H new ATOM 0 HB2 LEU A 41 2.320 3.204 -10.963 1.00 12.42 H new ATOM 0 HB3 LEU A 41 3.677 2.157 -10.596 1.00 12.42 H new ATOM 0 HG LEU A 41 2.428 4.077 -8.587 1.00 14.53 H new ATOM 0 HD11 LEU A 41 1.342 2.084 -7.572 1.00 31.14 H new ATOM 0 HD12 LEU A 41 0.764 2.387 -9.228 1.00 31.14 H new ATOM 0 HD13 LEU A 41 1.937 1.085 -8.920 1.00 31.14 H new ATOM 0 HD21 LEU A 41 3.652 2.731 -6.891 1.00 22.21 H new ATOM 0 HD22 LEU A 41 4.388 1.772 -8.197 1.00 22.21 H new ATOM 0 HD23 LEU A 41 4.757 3.507 -8.050 1.00 22.21 H new ATOM 660 N LYS A 42 3.991 4.479 -13.220 1.00 2.54 N ATOM 661 CA LYS A 42 4.384 4.410 -14.652 1.00 62.41 C ATOM 662 C LYS A 42 5.669 5.223 -14.923 1.00 1.24 C ATOM 663 O LYS A 42 6.450 4.884 -15.808 1.00 35.04 O ATOM 664 CB LYS A 42 3.232 4.945 -15.549 1.00 55.52 C ATOM 665 CG LYS A 42 1.931 4.114 -15.485 1.00 43.51 C ATOM 666 CD LYS A 42 0.739 4.806 -16.192 1.00 43.30 C ATOM 667 CE LYS A 42 0.963 5.018 -17.700 1.00 71.20 C ATOM 668 NZ LYS A 42 -0.164 5.762 -18.329 1.00 13.30 N ATOM 0 H LYS A 42 3.094 4.940 -13.068 1.00 2.54 H new ATOM 0 HA LYS A 42 4.581 3.365 -14.892 1.00 62.41 H new ATOM 0 HB2 LYS A 42 3.008 5.971 -15.257 1.00 55.52 H new ATOM 0 HB3 LYS A 42 3.578 4.976 -16.582 1.00 55.52 H new ATOM 0 HG2 LYS A 42 2.104 3.141 -15.944 1.00 43.51 H new ATOM 0 HG3 LYS A 42 1.673 3.932 -14.442 1.00 43.51 H new ATOM 0 HD2 LYS A 42 -0.159 4.205 -16.046 1.00 43.30 H new ATOM 0 HD3 LYS A 42 0.557 5.771 -15.720 1.00 43.30 H new ATOM 0 HE2 LYS A 42 1.892 5.566 -17.856 1.00 71.20 H new ATOM 0 HE3 LYS A 42 1.078 4.051 -18.190 1.00 71.20 H new ATOM 0 HZ1 LYS A 42 0.025 5.884 -19.344 1.00 13.30 H new ATOM 0 HZ2 LYS A 42 -1.047 5.227 -18.203 1.00 13.30 H new ATOM 0 HZ3 LYS A 42 -0.258 6.695 -17.879 1.00 13.30 H new ATOM 682 N ARG A 43 5.868 6.300 -14.150 1.00 4.33 N ATOM 683 CA ARG A 43 7.038 7.197 -14.282 1.00 22.44 C ATOM 684 C ARG A 43 8.243 6.687 -13.472 1.00 73.21 C ATOM 685 O ARG A 43 9.328 7.267 -13.570 1.00 71.01 O ATOM 686 CB ARG A 43 6.646 8.630 -13.817 1.00 43.14 C ATOM 687 CG ARG A 43 5.431 9.205 -14.575 1.00 52.45 C ATOM 688 CD ARG A 43 4.962 10.570 -14.040 1.00 61.14 C ATOM 689 NE ARG A 43 3.679 10.982 -14.648 1.00 65.02 N ATOM 690 CZ ARG A 43 3.520 11.912 -15.602 1.00 63.24 C ATOM 691 NH1 ARG A 43 4.558 12.571 -16.093 1.00 34.43 N ATOM 692 NH2 ARG A 43 2.304 12.173 -16.061 1.00 15.22 N ATOM 0 H ARG A 43 5.223 6.579 -13.411 1.00 4.33 H new ATOM 0 HA ARG A 43 7.335 7.216 -15.330 1.00 22.44 H new ATOM 0 HB2 ARG A 43 6.424 8.611 -12.750 1.00 43.14 H new ATOM 0 HB3 ARG A 43 7.499 9.295 -13.953 1.00 43.14 H new ATOM 0 HG2 ARG A 43 5.686 9.305 -15.630 1.00 52.45 H new ATOM 0 HG3 ARG A 43 4.605 8.496 -14.512 1.00 52.45 H new ATOM 0 HD2 ARG A 43 4.852 10.518 -12.957 1.00 61.14 H new ATOM 0 HD3 ARG A 43 5.722 11.323 -14.248 1.00 61.14 H new ATOM 0 HE ARG A 43 2.837 10.516 -14.311 1.00 65.02 H new ATOM 0 HH11 ARG A 43 5.497 12.375 -15.746 1.00 34.43 H new ATOM 0 HH12 ARG A 43 4.419 13.275 -16.818 1.00 34.43 H new ATOM 0 HH21 ARG A 43 1.499 11.669 -15.689 1.00 15.22 H new ATOM 0 HH22 ARG A 43 2.173 12.878 -16.786 1.00 15.22 H new ATOM 706 N ARG A 44 8.031 5.595 -12.681 1.00 12.21 N ATOM 707 CA ARG A 44 9.019 5.057 -11.693 1.00 63.40 C ATOM 708 C ARG A 44 9.273 6.092 -10.567 1.00 40.44 C ATOM 709 O ARG A 44 10.257 6.005 -9.824 1.00 11.32 O ATOM 710 CB ARG A 44 10.374 4.619 -12.362 1.00 22.44 C ATOM 711 CG ARG A 44 10.344 3.330 -13.227 1.00 33.15 C ATOM 712 CD ARG A 44 9.458 3.441 -14.483 1.00 31.14 C ATOM 713 NE ARG A 44 9.526 2.224 -15.316 1.00 15.11 N ATOM 714 CZ ARG A 44 8.515 1.719 -16.042 1.00 65.13 C ATOM 715 NH1 ARG A 44 7.331 2.311 -16.060 1.00 14.00 N ATOM 716 NH2 ARG A 44 8.702 0.629 -16.764 1.00 75.44 N ATOM 0 H ARG A 44 7.164 5.059 -12.710 1.00 12.21 H new ATOM 0 HA ARG A 44 8.580 4.157 -11.262 1.00 63.40 H new ATOM 0 HB2 ARG A 44 10.725 5.440 -12.988 1.00 22.44 H new ATOM 0 HB3 ARG A 44 11.113 4.481 -11.573 1.00 22.44 H new ATOM 0 HG2 ARG A 44 11.361 3.086 -13.533 1.00 33.15 H new ATOM 0 HG3 ARG A 44 9.987 2.502 -12.615 1.00 33.15 H new ATOM 0 HD2 ARG A 44 8.425 3.618 -14.184 1.00 31.14 H new ATOM 0 HD3 ARG A 44 9.771 4.302 -15.073 1.00 31.14 H new ATOM 0 HE ARG A 44 10.415 1.725 -15.342 1.00 15.11 H new ATOM 0 HH11 ARG A 44 7.178 3.161 -15.518 1.00 14.00 H new ATOM 0 HH12 ARG A 44 6.572 1.917 -16.616 1.00 14.00 H new ATOM 0 HH21 ARG A 44 9.614 0.171 -16.770 1.00 75.44 H new ATOM 0 HH22 ARG A 44 7.935 0.245 -17.316 1.00 75.44 H new ATOM 730 N ASN A 45 8.317 7.025 -10.425 1.00 13.25 N ATOM 731 CA ASN A 45 8.429 8.218 -9.567 1.00 3.40 C ATOM 732 C ASN A 45 8.265 7.851 -8.077 1.00 43.53 C ATOM 733 O ASN A 45 8.672 8.606 -7.187 1.00 33.42 O ATOM 734 CB ASN A 45 7.349 9.252 -10.016 1.00 4.15 C ATOM 735 CG ASN A 45 7.616 10.698 -9.590 1.00 4.05 C ATOM 736 OD1 ASN A 45 6.691 11.427 -9.236 1.00 55.02 O ATOM 737 ND2 ASN A 45 8.859 11.149 -9.693 1.00 43.13 N ATOM 0 H ASN A 45 7.424 6.970 -10.915 1.00 13.25 H new ATOM 0 HA ASN A 45 9.422 8.655 -9.676 1.00 3.40 H new ATOM 0 HB2 ASN A 45 7.267 9.219 -11.102 1.00 4.15 H new ATOM 0 HB3 ASN A 45 6.384 8.944 -9.614 1.00 4.15 H new ATOM 0 HD21 ASN A 45 9.068 12.124 -9.476 1.00 43.13 H new ATOM 0 HD22 ASN A 45 9.606 10.521 -9.989 1.00 43.13 H new ATOM 744 N ILE A 46 7.657 6.676 -7.830 1.00 24.31 N ATOM 745 CA ILE A 46 7.424 6.134 -6.483 1.00 1.12 C ATOM 746 C ILE A 46 8.422 4.990 -6.233 1.00 32.31 C ATOM 747 O ILE A 46 8.486 4.045 -7.031 1.00 55.33 O ATOM 748 CB ILE A 46 5.950 5.598 -6.322 1.00 21.34 C ATOM 749 CG1 ILE A 46 4.916 6.698 -6.719 1.00 72.24 C ATOM 750 CG2 ILE A 46 5.688 5.097 -4.879 1.00 45.42 C ATOM 751 CD1 ILE A 46 3.464 6.262 -6.671 1.00 31.13 C ATOM 0 H ILE A 46 7.310 6.069 -8.573 1.00 24.31 H new ATOM 0 HA ILE A 46 7.567 6.933 -5.755 1.00 1.12 H new ATOM 0 HB ILE A 46 5.829 4.751 -6.997 1.00 21.34 H new ATOM 0 HG12 ILE A 46 5.045 7.553 -6.055 1.00 72.24 H new ATOM 0 HG13 ILE A 46 5.143 7.041 -7.728 1.00 72.24 H new ATOM 0 HG21 ILE A 46 4.663 4.734 -4.800 1.00 45.42 H new ATOM 0 HG22 ILE A 46 6.379 4.287 -4.644 1.00 45.42 H new ATOM 0 HG23 ILE A 46 5.837 5.917 -4.176 1.00 45.42 H new ATOM 0 HD11 ILE A 46 2.824 7.095 -6.963 1.00 31.13 H new ATOM 0 HD12 ILE A 46 3.311 5.429 -7.357 1.00 31.13 H new ATOM 0 HD13 ILE A 46 3.212 5.948 -5.658 1.00 31.13 H new ATOM 763 N ASP A 47 9.203 5.091 -5.145 1.00 52.31 N ATOM 764 CA ASP A 47 10.188 4.060 -4.755 1.00 53.12 C ATOM 765 C ASP A 47 9.494 2.870 -4.074 1.00 5.22 C ATOM 766 O ASP A 47 9.833 1.710 -4.325 1.00 32.52 O ATOM 767 CB ASP A 47 11.254 4.660 -3.804 1.00 51.02 C ATOM 768 CG ASP A 47 12.295 3.630 -3.327 1.00 51.03 C ATOM 769 OD1 ASP A 47 12.244 3.199 -2.151 1.00 75.34 O ATOM 770 OD2 ASP A 47 13.160 3.232 -4.140 1.00 33.23 O ATOM 0 H ASP A 47 9.172 5.888 -4.509 1.00 52.31 H new ATOM 0 HA ASP A 47 10.679 3.705 -5.661 1.00 53.12 H new ATOM 0 HB2 ASP A 47 11.767 5.476 -4.313 1.00 51.02 H new ATOM 0 HB3 ASP A 47 10.755 5.090 -2.936 1.00 51.02 H new ATOM 775 N MET A 48 8.536 3.188 -3.198 1.00 13.31 N ATOM 776 CA MET A 48 7.812 2.199 -2.391 1.00 64.22 C ATOM 777 C MET A 48 6.404 2.719 -2.077 1.00 50.31 C ATOM 778 O MET A 48 6.224 3.904 -1.782 1.00 14.35 O ATOM 779 CB MET A 48 8.610 1.871 -1.094 1.00 44.12 C ATOM 780 CG MET A 48 9.004 3.089 -0.246 1.00 34.53 C ATOM 781 SD MET A 48 10.103 2.676 1.130 1.00 51.55 S ATOM 782 CE MET A 48 9.110 1.549 2.106 1.00 70.33 C ATOM 0 H MET A 48 8.238 4.148 -3.027 1.00 13.31 H new ATOM 0 HA MET A 48 7.711 1.271 -2.954 1.00 64.22 H new ATOM 0 HB2 MET A 48 8.013 1.198 -0.479 1.00 44.12 H new ATOM 0 HB3 MET A 48 9.516 1.332 -1.370 1.00 44.12 H new ATOM 0 HG2 MET A 48 9.493 3.825 -0.884 1.00 34.53 H new ATOM 0 HG3 MET A 48 8.101 3.557 0.147 1.00 34.53 H new ATOM 0 HE1 MET A 48 9.610 1.352 3.054 1.00 70.33 H new ATOM 0 HE2 MET A 48 8.134 1.995 2.296 1.00 70.33 H new ATOM 0 HE3 MET A 48 8.981 0.613 1.562 1.00 70.33 H new ATOM 792 N ILE A 49 5.411 1.826 -2.157 1.00 50.14 N ATOM 793 CA ILE A 49 3.992 2.178 -1.992 1.00 20.11 C ATOM 794 C ILE A 49 3.298 1.139 -1.094 1.00 20.12 C ATOM 795 O ILE A 49 3.621 -0.043 -1.149 1.00 61.13 O ATOM 796 CB ILE A 49 3.275 2.288 -3.396 1.00 34.32 C ATOM 797 CG1 ILE A 49 1.746 2.595 -3.239 1.00 64.44 C ATOM 798 CG2 ILE A 49 3.516 1.022 -4.266 1.00 21.22 C ATOM 799 CD1 ILE A 49 0.975 2.669 -4.543 1.00 65.42 C ATOM 0 H ILE A 49 5.567 0.835 -2.339 1.00 50.14 H new ATOM 0 HA ILE A 49 3.923 3.153 -1.511 1.00 20.11 H new ATOM 0 HB ILE A 49 3.724 3.131 -3.922 1.00 34.32 H new ATOM 0 HG12 ILE A 49 1.298 1.825 -2.611 1.00 64.44 H new ATOM 0 HG13 ILE A 49 1.632 3.542 -2.712 1.00 64.44 H new ATOM 0 HG21 ILE A 49 3.007 1.136 -5.223 1.00 21.22 H new ATOM 0 HG22 ILE A 49 4.585 0.896 -4.436 1.00 21.22 H new ATOM 0 HG23 ILE A 49 3.125 0.146 -3.749 1.00 21.22 H new ATOM 0 HD11 ILE A 49 -0.073 2.885 -4.334 1.00 65.42 H new ATOM 0 HD12 ILE A 49 1.391 3.459 -5.167 1.00 65.42 H new ATOM 0 HD13 ILE A 49 1.052 1.716 -5.066 1.00 65.42 H new ATOM 811 N ILE A 50 2.368 1.604 -0.239 1.00 15.24 N ATOM 812 CA ILE A 50 1.606 0.754 0.696 1.00 24.22 C ATOM 813 C ILE A 50 0.102 0.968 0.443 1.00 12.44 C ATOM 814 O ILE A 50 -0.432 2.041 0.727 1.00 13.13 O ATOM 815 CB ILE A 50 1.983 1.093 2.190 1.00 41.32 C ATOM 816 CG1 ILE A 50 3.521 0.889 2.413 1.00 64.15 C ATOM 817 CG2 ILE A 50 1.145 0.250 3.188 1.00 11.02 C ATOM 818 CD1 ILE A 50 4.035 1.248 3.789 1.00 54.01 C ATOM 0 H ILE A 50 2.122 2.592 -0.177 1.00 15.24 H new ATOM 0 HA ILE A 50 1.855 -0.294 0.528 1.00 24.22 H new ATOM 0 HB ILE A 50 1.745 2.139 2.380 1.00 41.32 H new ATOM 0 HG12 ILE A 50 3.763 -0.155 2.215 1.00 64.15 H new ATOM 0 HG13 ILE A 50 4.059 1.486 1.677 1.00 64.15 H new ATOM 0 HG21 ILE A 50 1.428 0.507 4.209 1.00 11.02 H new ATOM 0 HG22 ILE A 50 0.086 0.460 3.042 1.00 11.02 H new ATOM 0 HG23 ILE A 50 1.332 -0.810 3.015 1.00 11.02 H new ATOM 0 HD11 ILE A 50 5.109 1.069 3.834 1.00 54.01 H new ATOM 0 HD12 ILE A 50 3.834 2.300 3.990 1.00 54.01 H new ATOM 0 HD13 ILE A 50 3.533 0.634 4.537 1.00 54.01 H new ATOM 830 N VAL A 51 -0.550 -0.056 -0.131 1.00 30.15 N ATOM 831 CA VAL A 51 -1.958 -0.013 -0.562 1.00 31.25 C ATOM 832 C VAL A 51 -2.842 -0.787 0.428 1.00 60.42 C ATOM 833 O VAL A 51 -2.612 -1.974 0.662 1.00 71.54 O ATOM 834 CB VAL A 51 -2.121 -0.624 -2.006 1.00 42.53 C ATOM 835 CG1 VAL A 51 -3.573 -0.488 -2.529 1.00 55.43 C ATOM 836 CG2 VAL A 51 -1.116 0.014 -2.982 1.00 72.24 C ATOM 0 H VAL A 51 -0.105 -0.956 -0.312 1.00 30.15 H new ATOM 0 HA VAL A 51 -2.272 1.031 -0.586 1.00 31.25 H new ATOM 0 HB VAL A 51 -1.904 -1.690 -1.939 1.00 42.53 H new ATOM 0 HG11 VAL A 51 -3.642 -0.921 -3.527 1.00 55.43 H new ATOM 0 HG12 VAL A 51 -4.252 -1.013 -1.857 1.00 55.43 H new ATOM 0 HG13 VAL A 51 -3.847 0.566 -2.571 1.00 55.43 H new ATOM 0 HG21 VAL A 51 -1.245 -0.421 -3.973 1.00 72.24 H new ATOM 0 HG22 VAL A 51 -1.290 1.089 -3.032 1.00 72.24 H new ATOM 0 HG23 VAL A 51 -0.101 -0.173 -2.633 1.00 72.24 H new ATOM 846 N LYS A 52 -3.837 -0.098 1.008 1.00 75.01 N ATOM 847 CA LYS A 52 -4.861 -0.695 1.878 1.00 24.10 C ATOM 848 C LYS A 52 -6.245 -0.548 1.197 1.00 0.00 C ATOM 849 O LYS A 52 -6.803 0.557 1.100 1.00 12.33 O ATOM 850 CB LYS A 52 -4.800 -0.047 3.299 1.00 72.12 C ATOM 851 CG LYS A 52 -6.069 -0.182 4.180 1.00 34.15 C ATOM 852 CD LYS A 52 -6.473 -1.626 4.539 1.00 75.03 C ATOM 853 CE LYS A 52 -7.754 -1.647 5.397 1.00 75.14 C ATOM 854 NZ LYS A 52 -8.216 -3.025 5.675 1.00 1.24 N ATOM 0 H LYS A 52 -3.954 0.908 0.883 1.00 75.01 H new ATOM 0 HA LYS A 52 -4.677 -1.760 2.020 1.00 24.10 H new ATOM 0 HB2 LYS A 52 -3.962 -0.488 3.839 1.00 72.12 H new ATOM 0 HB3 LYS A 52 -4.579 1.014 3.180 1.00 72.12 H new ATOM 0 HG2 LYS A 52 -5.910 0.373 5.104 1.00 34.15 H new ATOM 0 HG3 LYS A 52 -6.903 0.293 3.662 1.00 34.15 H new ATOM 0 HD2 LYS A 52 -6.634 -2.200 3.626 1.00 75.03 H new ATOM 0 HD3 LYS A 52 -5.661 -2.110 5.081 1.00 75.03 H new ATOM 0 HE2 LYS A 52 -7.567 -1.131 6.339 1.00 75.14 H new ATOM 0 HE3 LYS A 52 -8.543 -1.097 4.883 1.00 75.14 H new ATOM 0 HZ1 LYS A 52 -8.996 -2.998 6.363 1.00 1.24 H new ATOM 0 HZ2 LYS A 52 -8.548 -3.465 4.793 1.00 1.24 H new ATOM 0 HZ3 LYS A 52 -7.430 -3.583 6.065 1.00 1.24 H new ATOM 868 N THR A 53 -6.751 -1.684 0.694 1.00 50.45 N ATOM 869 CA THR A 53 -8.072 -1.814 0.065 1.00 73.14 C ATOM 870 C THR A 53 -8.446 -3.300 0.022 1.00 3.25 C ATOM 871 O THR A 53 -7.564 -4.165 -0.021 1.00 34.24 O ATOM 872 CB THR A 53 -8.138 -1.185 -1.381 1.00 2.32 C ATOM 873 OG1 THR A 53 -9.438 -1.389 -1.962 1.00 34.11 O ATOM 874 CG2 THR A 53 -7.068 -1.745 -2.333 1.00 71.14 C ATOM 0 H THR A 53 -6.236 -2.564 0.715 1.00 50.45 H new ATOM 0 HA THR A 53 -8.787 -1.252 0.666 1.00 73.14 H new ATOM 0 HB THR A 53 -7.942 -0.120 -1.255 1.00 2.32 H new ATOM 0 HG1 THR A 53 -9.462 -0.991 -2.857 1.00 34.11 H new ATOM 0 HG21 THR A 53 -7.167 -1.272 -3.310 1.00 71.14 H new ATOM 0 HG22 THR A 53 -6.077 -1.538 -1.929 1.00 71.14 H new ATOM 0 HG23 THR A 53 -7.200 -2.822 -2.436 1.00 71.14 H new ATOM 882 N GLU A 54 -9.752 -3.581 0.073 1.00 40.50 N ATOM 883 CA GLU A 54 -10.283 -4.959 0.093 1.00 51.22 C ATOM 884 C GLU A 54 -10.584 -5.458 -1.324 1.00 71.42 C ATOM 885 O GLU A 54 -10.791 -6.648 -1.521 1.00 31.24 O ATOM 886 CB GLU A 54 -11.547 -5.047 1.007 1.00 45.14 C ATOM 887 CG GLU A 54 -11.266 -5.072 2.533 1.00 43.53 C ATOM 888 CD GLU A 54 -10.395 -3.905 3.032 1.00 61.22 C ATOM 889 OE1 GLU A 54 -10.938 -2.806 3.287 1.00 12.12 O ATOM 890 OE2 GLU A 54 -9.164 -4.081 3.173 1.00 3.23 O ATOM 0 H GLU A 54 -10.476 -2.863 0.102 1.00 40.50 H new ATOM 0 HA GLU A 54 -9.517 -5.612 0.512 1.00 51.22 H new ATOM 0 HB2 GLU A 54 -12.193 -4.197 0.788 1.00 45.14 H new ATOM 0 HB3 GLU A 54 -12.103 -5.946 0.743 1.00 45.14 H new ATOM 0 HG2 GLU A 54 -12.216 -5.056 3.067 1.00 43.53 H new ATOM 0 HG3 GLU A 54 -10.775 -6.012 2.786 1.00 43.53 H new ATOM 897 N ASP A 55 -10.602 -4.550 -2.309 1.00 24.44 N ATOM 898 CA ASP A 55 -10.873 -4.906 -3.707 1.00 51.52 C ATOM 899 C ASP A 55 -9.569 -5.431 -4.350 1.00 31.21 C ATOM 900 O ASP A 55 -8.639 -4.656 -4.588 1.00 31.14 O ATOM 901 CB ASP A 55 -11.435 -3.684 -4.482 1.00 21.32 C ATOM 902 CG ASP A 55 -11.954 -4.059 -5.886 1.00 42.13 C ATOM 903 OD1 ASP A 55 -13.188 -4.189 -6.067 1.00 42.33 O ATOM 904 OD2 ASP A 55 -11.128 -4.230 -6.811 1.00 71.13 O ATOM 0 H ASP A 55 -10.430 -3.556 -2.160 1.00 24.44 H new ATOM 0 HA ASP A 55 -11.629 -5.690 -3.749 1.00 51.52 H new ATOM 0 HB2 ASP A 55 -12.245 -3.235 -3.907 1.00 21.32 H new ATOM 0 HB3 ASP A 55 -10.655 -2.929 -4.577 1.00 21.32 H new ATOM 909 N LYS A 56 -9.517 -6.763 -4.594 1.00 2.45 N ATOM 910 CA LYS A 56 -8.333 -7.470 -5.149 1.00 63.11 C ATOM 911 C LYS A 56 -7.917 -6.954 -6.542 1.00 74.13 C ATOM 912 O LYS A 56 -6.751 -7.089 -6.916 1.00 5.34 O ATOM 913 CB LYS A 56 -8.588 -9.005 -5.214 1.00 40.31 C ATOM 914 CG LYS A 56 -9.698 -9.431 -6.203 1.00 1.20 C ATOM 915 CD LYS A 56 -10.047 -10.935 -6.119 1.00 22.42 C ATOM 916 CE LYS A 56 -11.254 -11.299 -7.002 1.00 63.21 C ATOM 917 NZ LYS A 56 -11.657 -12.719 -6.839 1.00 51.23 N ATOM 0 H LYS A 56 -10.304 -7.385 -4.409 1.00 2.45 H new ATOM 0 HA LYS A 56 -7.509 -7.261 -4.467 1.00 63.11 H new ATOM 0 HB2 LYS A 56 -7.660 -9.503 -5.494 1.00 40.31 H new ATOM 0 HB3 LYS A 56 -8.852 -9.359 -4.217 1.00 40.31 H new ATOM 0 HG2 LYS A 56 -10.596 -8.845 -6.005 1.00 1.20 H new ATOM 0 HG3 LYS A 56 -9.380 -9.195 -7.219 1.00 1.20 H new ATOM 0 HD2 LYS A 56 -9.183 -11.525 -6.425 1.00 22.42 H new ATOM 0 HD3 LYS A 56 -10.263 -11.199 -5.084 1.00 22.42 H new ATOM 0 HE2 LYS A 56 -12.095 -10.653 -6.750 1.00 63.21 H new ATOM 0 HE3 LYS A 56 -11.008 -11.110 -8.047 1.00 63.21 H new ATOM 0 HZ1 LYS A 56 -12.473 -12.921 -7.451 1.00 51.23 H new ATOM 0 HZ2 LYS A 56 -10.864 -13.338 -7.104 1.00 51.23 H new ATOM 0 HZ3 LYS A 56 -11.917 -12.895 -5.847 1.00 51.23 H new ATOM 931 N GLU A 57 -8.875 -6.371 -7.296 1.00 2.25 N ATOM 932 CA GLU A 57 -8.620 -5.843 -8.654 1.00 44.22 C ATOM 933 C GLU A 57 -7.940 -4.464 -8.564 1.00 32.40 C ATOM 934 O GLU A 57 -7.094 -4.137 -9.394 1.00 73.42 O ATOM 935 CB GLU A 57 -9.934 -5.761 -9.481 1.00 53.23 C ATOM 936 CG GLU A 57 -10.669 -7.108 -9.625 1.00 3.24 C ATOM 937 CD GLU A 57 -11.908 -7.021 -10.533 1.00 21.44 C ATOM 938 OE1 GLU A 57 -13.049 -6.981 -10.023 1.00 31.53 O ATOM 939 OE2 GLU A 57 -11.742 -6.975 -11.769 1.00 65.11 O ATOM 0 H GLU A 57 -9.839 -6.254 -6.984 1.00 2.25 H new ATOM 0 HA GLU A 57 -7.950 -6.530 -9.171 1.00 44.22 H new ATOM 0 HB2 GLU A 57 -10.604 -5.042 -9.009 1.00 53.23 H new ATOM 0 HB3 GLU A 57 -9.703 -5.377 -10.475 1.00 53.23 H new ATOM 0 HG2 GLU A 57 -9.980 -7.850 -10.029 1.00 3.24 H new ATOM 0 HG3 GLU A 57 -10.972 -7.458 -8.638 1.00 3.24 H new ATOM 946 N SER A 58 -8.301 -3.685 -7.521 1.00 54.43 N ATOM 947 CA SER A 58 -7.687 -2.368 -7.241 1.00 62.54 C ATOM 948 C SER A 58 -6.246 -2.571 -6.740 1.00 63.31 C ATOM 949 O SER A 58 -5.335 -1.832 -7.122 1.00 53.32 O ATOM 950 CB SER A 58 -8.526 -1.588 -6.196 1.00 41.11 C ATOM 951 OG SER A 58 -9.864 -1.434 -6.639 1.00 22.42 O ATOM 0 H SER A 58 -9.024 -3.950 -6.852 1.00 54.43 H new ATOM 0 HA SER A 58 -7.665 -1.780 -8.159 1.00 62.54 H new ATOM 0 HB2 SER A 58 -8.512 -2.117 -5.243 1.00 41.11 H new ATOM 0 HB3 SER A 58 -8.080 -0.608 -6.023 1.00 41.11 H new ATOM 0 HG SER A 58 -10.275 -2.316 -6.750 1.00 22.42 H new ATOM 957 N ILE A 59 -6.075 -3.602 -5.884 1.00 13.35 N ATOM 958 CA ILE A 59 -4.761 -4.089 -5.423 1.00 52.11 C ATOM 959 C ILE A 59 -3.878 -4.474 -6.635 1.00 4.04 C ATOM 960 O ILE A 59 -2.730 -3.997 -6.782 1.00 52.30 O ATOM 961 CB ILE A 59 -4.950 -5.347 -4.480 1.00 71.02 C ATOM 962 CG1 ILE A 59 -5.685 -4.963 -3.152 1.00 54.03 C ATOM 963 CG2 ILE A 59 -3.605 -6.037 -4.191 1.00 12.13 C ATOM 964 CD1 ILE A 59 -6.031 -6.139 -2.249 1.00 61.44 C ATOM 0 H ILE A 59 -6.857 -4.125 -5.490 1.00 13.35 H new ATOM 0 HA ILE A 59 -4.270 -3.292 -4.864 1.00 52.11 H new ATOM 0 HB ILE A 59 -5.581 -6.060 -5.011 1.00 71.02 H new ATOM 0 HG12 ILE A 59 -5.058 -4.268 -2.594 1.00 54.03 H new ATOM 0 HG13 ILE A 59 -6.604 -4.433 -3.402 1.00 54.03 H new ATOM 0 HG21 ILE A 59 -3.769 -6.897 -3.541 1.00 12.13 H new ATOM 0 HG22 ILE A 59 -3.158 -6.370 -5.128 1.00 12.13 H new ATOM 0 HG23 ILE A 59 -2.933 -5.333 -3.699 1.00 12.13 H new ATOM 0 HD11 ILE A 59 -6.537 -5.775 -1.355 1.00 61.44 H new ATOM 0 HD12 ILE A 59 -6.687 -6.827 -2.783 1.00 61.44 H new ATOM 0 HD13 ILE A 59 -5.117 -6.659 -1.962 1.00 61.44 H new ATOM 976 N SER A 60 -4.482 -5.318 -7.505 1.00 55.20 N ATOM 977 CA SER A 60 -3.841 -5.885 -8.692 1.00 21.15 C ATOM 978 C SER A 60 -3.267 -4.781 -9.589 1.00 10.04 C ATOM 979 O SER A 60 -2.098 -4.852 -9.952 1.00 2.12 O ATOM 980 CB SER A 60 -4.850 -6.761 -9.474 1.00 11.44 C ATOM 981 OG SER A 60 -4.272 -7.302 -10.642 1.00 50.24 O ATOM 0 H SER A 60 -5.448 -5.623 -7.389 1.00 55.20 H new ATOM 0 HA SER A 60 -3.011 -6.513 -8.369 1.00 21.15 H new ATOM 0 HB2 SER A 60 -5.203 -7.570 -8.834 1.00 11.44 H new ATOM 0 HB3 SER A 60 -5.721 -6.163 -9.742 1.00 11.44 H new ATOM 0 HG SER A 60 -3.491 -7.843 -10.400 1.00 50.24 H new ATOM 987 N GLU A 61 -4.090 -3.732 -9.850 1.00 10.32 N ATOM 988 CA GLU A 61 -3.723 -2.580 -10.709 1.00 12.42 C ATOM 989 C GLU A 61 -2.355 -1.985 -10.333 1.00 55.32 C ATOM 990 O GLU A 61 -1.460 -1.880 -11.187 1.00 54.25 O ATOM 991 CB GLU A 61 -4.820 -1.481 -10.631 1.00 64.14 C ATOM 992 CG GLU A 61 -6.113 -1.811 -11.389 1.00 70.32 C ATOM 993 CD GLU A 61 -5.916 -1.872 -12.919 1.00 40.32 C ATOM 994 OE1 GLU A 61 -5.886 -2.984 -13.499 1.00 13.40 O ATOM 995 OE2 GLU A 61 -5.805 -0.800 -13.551 1.00 12.34 O ATOM 0 H GLU A 61 -5.033 -3.663 -9.467 1.00 10.32 H new ATOM 0 HA GLU A 61 -3.648 -2.951 -11.731 1.00 12.42 H new ATOM 0 HB2 GLU A 61 -5.064 -1.304 -9.584 1.00 64.14 H new ATOM 0 HB3 GLU A 61 -4.411 -0.550 -11.025 1.00 64.14 H new ATOM 0 HG2 GLU A 61 -6.498 -2.769 -11.039 1.00 70.32 H new ATOM 0 HG3 GLU A 61 -6.867 -1.059 -11.155 1.00 70.32 H new ATOM 1002 N ILE A 62 -2.194 -1.658 -9.037 1.00 42.32 N ATOM 1003 CA ILE A 62 -0.948 -1.086 -8.496 1.00 21.14 C ATOM 1004 C ILE A 62 0.223 -2.048 -8.731 1.00 55.34 C ATOM 1005 O ILE A 62 1.264 -1.634 -9.256 1.00 45.43 O ATOM 1006 CB ILE A 62 -1.071 -0.722 -6.956 1.00 72.25 C ATOM 1007 CG1 ILE A 62 -1.862 0.616 -6.750 1.00 42.34 C ATOM 1008 CG2 ILE A 62 0.320 -0.636 -6.264 1.00 2.15 C ATOM 1009 CD1 ILE A 62 -3.308 0.608 -7.213 1.00 4.03 C ATOM 0 H ILE A 62 -2.924 -1.783 -8.336 1.00 42.32 H new ATOM 0 HA ILE A 62 -0.759 -0.154 -9.029 1.00 21.14 H new ATOM 0 HB ILE A 62 -1.628 -1.532 -6.486 1.00 72.25 H new ATOM 0 HG12 ILE A 62 -1.841 0.868 -5.690 1.00 42.34 H new ATOM 0 HG13 ILE A 62 -1.336 1.412 -7.277 1.00 42.34 H new ATOM 0 HG21 ILE A 62 0.188 -0.385 -5.212 1.00 2.15 H new ATOM 0 HG22 ILE A 62 0.828 -1.597 -6.347 1.00 2.15 H new ATOM 0 HG23 ILE A 62 0.920 0.134 -6.748 1.00 2.15 H new ATOM 0 HD11 ILE A 62 -3.757 1.583 -7.022 1.00 4.03 H new ATOM 0 HD12 ILE A 62 -3.347 0.393 -8.281 1.00 4.03 H new ATOM 0 HD13 ILE A 62 -3.860 -0.158 -6.669 1.00 4.03 H new ATOM 1021 N ILE A 63 0.013 -3.339 -8.401 1.00 74.02 N ATOM 1022 CA ILE A 63 1.069 -4.362 -8.526 1.00 14.05 C ATOM 1023 C ILE A 63 1.507 -4.526 -10.000 1.00 74.14 C ATOM 1024 O ILE A 63 2.685 -4.722 -10.253 1.00 25.41 O ATOM 1025 CB ILE A 63 0.633 -5.743 -7.928 1.00 34.34 C ATOM 1026 CG1 ILE A 63 0.176 -5.566 -6.449 1.00 11.50 C ATOM 1027 CG2 ILE A 63 1.781 -6.791 -8.026 1.00 12.54 C ATOM 1028 CD1 ILE A 63 -0.359 -6.828 -5.823 1.00 52.45 C ATOM 0 H ILE A 63 -0.875 -3.696 -8.047 1.00 74.02 H new ATOM 0 HA ILE A 63 1.920 -4.010 -7.943 1.00 14.05 H new ATOM 0 HB ILE A 63 -0.206 -6.117 -8.514 1.00 34.34 H new ATOM 0 HG12 ILE A 63 1.019 -5.208 -5.858 1.00 11.50 H new ATOM 0 HG13 ILE A 63 -0.594 -4.795 -6.406 1.00 11.50 H new ATOM 0 HG21 ILE A 63 1.446 -7.738 -7.603 1.00 12.54 H new ATOM 0 HG22 ILE A 63 2.052 -6.937 -9.072 1.00 12.54 H new ATOM 0 HG23 ILE A 63 2.649 -6.433 -7.472 1.00 12.54 H new ATOM 0 HD11 ILE A 63 -0.657 -6.626 -4.794 1.00 52.45 H new ATOM 0 HD12 ILE A 63 -1.223 -7.177 -6.389 1.00 52.45 H new ATOM 0 HD13 ILE A 63 0.415 -7.595 -5.833 1.00 52.45 H new ATOM 1040 N LYS A 64 0.557 -4.373 -10.957 1.00 34.14 N ATOM 1041 CA LYS A 64 0.846 -4.430 -12.412 1.00 3.51 C ATOM 1042 C LYS A 64 1.825 -3.309 -12.796 1.00 44.50 C ATOM 1043 O LYS A 64 2.795 -3.533 -13.533 1.00 34.21 O ATOM 1044 CB LYS A 64 -0.464 -4.274 -13.243 1.00 22.14 C ATOM 1045 CG LYS A 64 -1.542 -5.341 -12.962 1.00 5.41 C ATOM 1046 CD LYS A 64 -2.926 -4.970 -13.555 1.00 52.43 C ATOM 1047 CE LYS A 64 -2.968 -5.038 -15.087 1.00 42.22 C ATOM 1048 NZ LYS A 64 -2.790 -6.430 -15.578 1.00 75.43 N ATOM 0 H LYS A 64 -0.426 -4.207 -10.743 1.00 34.14 H new ATOM 0 HA LYS A 64 1.291 -5.400 -12.633 1.00 3.51 H new ATOM 0 HB2 LYS A 64 -0.888 -3.289 -13.045 1.00 22.14 H new ATOM 0 HB3 LYS A 64 -0.211 -4.305 -14.303 1.00 22.14 H new ATOM 0 HG2 LYS A 64 -1.218 -6.296 -13.377 1.00 5.41 H new ATOM 0 HG3 LYS A 64 -1.639 -5.478 -11.885 1.00 5.41 H new ATOM 0 HD2 LYS A 64 -3.680 -5.643 -13.148 1.00 52.43 H new ATOM 0 HD3 LYS A 64 -3.192 -3.962 -13.236 1.00 52.43 H new ATOM 0 HE2 LYS A 64 -3.920 -4.645 -15.443 1.00 42.22 H new ATOM 0 HE3 LYS A 64 -2.186 -4.402 -15.502 1.00 42.22 H new ATOM 0 HZ1 LYS A 64 -2.975 -6.464 -16.601 1.00 75.43 H new ATOM 0 HZ2 LYS A 64 -1.816 -6.742 -15.392 1.00 75.43 H new ATOM 0 HZ3 LYS A 64 -3.455 -7.060 -15.085 1.00 75.43 H new ATOM 1062 N GLN A 65 1.557 -2.101 -12.260 1.00 13.52 N ATOM 1063 CA GLN A 65 2.401 -0.913 -12.500 1.00 20.33 C ATOM 1064 C GLN A 65 3.779 -1.064 -11.804 1.00 40.13 C ATOM 1065 O GLN A 65 4.776 -0.501 -12.261 1.00 32.50 O ATOM 1066 CB GLN A 65 1.688 0.379 -12.004 1.00 11.02 C ATOM 1067 CG GLN A 65 0.204 0.525 -12.402 1.00 51.04 C ATOM 1068 CD GLN A 65 -0.071 0.363 -13.900 1.00 4.11 C ATOM 1069 OE1 GLN A 65 -0.355 -0.736 -14.384 1.00 20.03 O ATOM 1070 NE2 GLN A 65 0.009 1.456 -14.643 1.00 10.03 N ATOM 0 H GLN A 65 0.757 -1.922 -11.654 1.00 13.52 H new ATOM 0 HA GLN A 65 2.564 -0.830 -13.575 1.00 20.33 H new ATOM 0 HB2 GLN A 65 1.758 0.415 -10.917 1.00 11.02 H new ATOM 0 HB3 GLN A 65 2.233 1.242 -12.387 1.00 11.02 H new ATOM 0 HG2 GLN A 65 -0.380 -0.216 -11.856 1.00 51.04 H new ATOM 0 HG3 GLN A 65 -0.149 1.506 -12.085 1.00 51.04 H new ATOM 0 HE21 GLN A 65 0.246 2.349 -14.212 1.00 10.03 H new ATOM 0 HE22 GLN A 65 -0.167 1.405 -15.646 1.00 10.03 H new ATOM 1079 N VAL A 66 3.806 -1.829 -10.690 1.00 41.32 N ATOM 1080 CA VAL A 66 5.036 -2.119 -9.920 1.00 23.12 C ATOM 1081 C VAL A 66 5.847 -3.270 -10.579 1.00 13.20 C ATOM 1082 O VAL A 66 7.072 -3.331 -10.437 1.00 55.04 O ATOM 1083 CB VAL A 66 4.700 -2.444 -8.407 1.00 34.21 C ATOM 1084 CG1 VAL A 66 5.957 -2.863 -7.610 1.00 33.12 C ATOM 1085 CG2 VAL A 66 4.011 -1.233 -7.724 1.00 2.52 C ATOM 0 H VAL A 66 2.971 -2.265 -10.298 1.00 41.32 H new ATOM 0 HA VAL A 66 5.659 -1.224 -9.933 1.00 23.12 H new ATOM 0 HB VAL A 66 4.012 -3.290 -8.407 1.00 34.21 H new ATOM 0 HG11 VAL A 66 5.679 -3.076 -6.578 1.00 33.12 H new ATOM 0 HG12 VAL A 66 6.393 -3.755 -8.060 1.00 33.12 H new ATOM 0 HG13 VAL A 66 6.687 -2.053 -7.629 1.00 33.12 H new ATOM 0 HG21 VAL A 66 3.789 -1.479 -6.685 1.00 2.52 H new ATOM 0 HG22 VAL A 66 4.675 -0.369 -7.759 1.00 2.52 H new ATOM 0 HG23 VAL A 66 3.084 -0.999 -8.247 1.00 2.52 H new ATOM 1095 N LEU A 67 5.168 -4.166 -11.323 1.00 74.25 N ATOM 1096 CA LEU A 67 5.846 -5.222 -12.110 1.00 64.43 C ATOM 1097 C LEU A 67 6.567 -4.568 -13.306 1.00 75.22 C ATOM 1098 O LEU A 67 7.652 -5.000 -13.710 1.00 72.14 O ATOM 1099 CB LEU A 67 4.841 -6.301 -12.615 1.00 51.00 C ATOM 1100 CG LEU A 67 4.118 -7.171 -11.530 1.00 64.35 C ATOM 1101 CD1 LEU A 67 3.126 -8.163 -12.183 1.00 4.34 C ATOM 1102 CD2 LEU A 67 5.124 -7.902 -10.608 1.00 71.10 C ATOM 0 H LEU A 67 4.151 -4.181 -11.397 1.00 74.25 H new ATOM 0 HA LEU A 67 6.566 -5.726 -11.466 1.00 64.43 H new ATOM 0 HB2 LEU A 67 4.077 -5.799 -13.209 1.00 51.00 H new ATOM 0 HB3 LEU A 67 5.376 -6.973 -13.285 1.00 51.00 H new ATOM 0 HG LEU A 67 3.546 -6.491 -10.899 1.00 64.35 H new ATOM 0 HD11 LEU A 67 2.639 -8.754 -11.407 1.00 4.34 H new ATOM 0 HD12 LEU A 67 2.373 -7.609 -12.744 1.00 4.34 H new ATOM 0 HD13 LEU A 67 3.666 -8.826 -12.858 1.00 4.34 H new ATOM 0 HD21 LEU A 67 4.580 -8.493 -9.871 1.00 71.10 H new ATOM 0 HD22 LEU A 67 5.755 -8.560 -11.206 1.00 71.10 H new ATOM 0 HD23 LEU A 67 5.747 -7.169 -10.096 1.00 71.10 H new ATOM 1114 N ASP A 68 5.919 -3.526 -13.860 1.00 44.51 N ATOM 1115 CA ASP A 68 6.457 -2.707 -14.957 1.00 3.10 C ATOM 1116 C ASP A 68 7.636 -1.815 -14.495 1.00 10.41 C ATOM 1117 O ASP A 68 8.670 -1.754 -15.172 1.00 40.14 O ATOM 1118 CB ASP A 68 5.294 -1.844 -15.539 1.00 43.24 C ATOM 1119 CG ASP A 68 5.720 -0.855 -16.645 1.00 31.42 C ATOM 1120 OD1 ASP A 68 6.375 -1.282 -17.618 1.00 41.32 O ATOM 1121 OD2 ASP A 68 5.367 0.346 -16.567 1.00 12.23 O ATOM 0 H ASP A 68 4.994 -3.227 -13.552 1.00 44.51 H new ATOM 0 HA ASP A 68 6.859 -3.364 -15.728 1.00 3.10 H new ATOM 0 HB2 ASP A 68 4.530 -2.510 -15.940 1.00 43.24 H new ATOM 0 HB3 ASP A 68 4.833 -1.283 -14.726 1.00 43.24 H new ATOM 1126 N SER A 69 7.493 -1.167 -13.322 1.00 33.10 N ATOM 1127 CA SER A 69 8.498 -0.207 -12.808 1.00 12.44 C ATOM 1128 C SER A 69 9.656 -0.934 -12.095 1.00 63.51 C ATOM 1129 O SER A 69 10.827 -0.775 -12.455 1.00 3.20 O ATOM 1130 CB SER A 69 7.825 0.821 -11.860 1.00 4.15 C ATOM 1131 OG SER A 69 7.179 0.189 -10.767 1.00 51.14 O ATOM 0 H SER A 69 6.688 -1.290 -12.708 1.00 33.10 H new ATOM 0 HA SER A 69 8.921 0.328 -13.658 1.00 12.44 H new ATOM 0 HB2 SER A 69 8.577 1.515 -11.485 1.00 4.15 H new ATOM 0 HB3 SER A 69 7.098 1.410 -12.420 1.00 4.15 H new ATOM 0 HG SER A 69 6.769 0.868 -10.192 1.00 51.14 H new ATOM 1137 N GLY A 70 9.298 -1.753 -11.095 1.00 24.44 N ATOM 1138 CA GLY A 70 10.263 -2.474 -10.260 1.00 33.13 C ATOM 1139 C GLY A 70 10.468 -1.785 -8.921 1.00 65.14 C ATOM 1140 O GLY A 70 11.589 -1.714 -8.421 1.00 3.55 O ATOM 0 H GLY A 70 8.326 -1.933 -10.844 1.00 24.44 H new ATOM 0 HA2 GLY A 70 9.913 -3.493 -10.096 1.00 33.13 H new ATOM 0 HA3 GLY A 70 11.217 -2.545 -10.783 1.00 33.13 H new ATOM 1144 N ALA A 71 9.370 -1.258 -8.349 1.00 71.20 N ATOM 1145 CA ALA A 71 9.370 -0.610 -7.020 1.00 14.40 C ATOM 1146 C ALA A 71 9.080 -1.648 -5.912 1.00 34.03 C ATOM 1147 O ALA A 71 8.891 -2.837 -6.199 1.00 33.10 O ATOM 1148 CB ALA A 71 8.315 0.522 -7.005 1.00 2.41 C ATOM 0 H ALA A 71 8.453 -1.269 -8.796 1.00 71.20 H new ATOM 0 HA ALA A 71 10.353 -0.182 -6.825 1.00 14.40 H new ATOM 0 HB1 ALA A 71 8.311 1.003 -6.027 1.00 2.41 H new ATOM 0 HB2 ALA A 71 8.560 1.258 -7.770 1.00 2.41 H new ATOM 0 HB3 ALA A 71 7.329 0.103 -7.207 1.00 2.41 H new ATOM 1154 N LYS A 72 9.078 -1.200 -4.644 1.00 43.52 N ATOM 1155 CA LYS A 72 8.551 -1.988 -3.506 1.00 31.01 C ATOM 1156 C LYS A 72 7.047 -1.708 -3.383 1.00 44.31 C ATOM 1157 O LYS A 72 6.603 -0.581 -3.631 1.00 20.13 O ATOM 1158 CB LYS A 72 9.263 -1.632 -2.156 1.00 44.11 C ATOM 1159 CG LYS A 72 10.666 -2.256 -1.949 1.00 42.30 C ATOM 1160 CD LYS A 72 11.750 -1.712 -2.904 1.00 34.30 C ATOM 1161 CE LYS A 72 12.029 -0.213 -2.707 1.00 41.43 C ATOM 1162 NZ LYS A 72 13.071 0.283 -3.642 1.00 42.01 N ATOM 0 H LYS A 72 9.440 -0.285 -4.376 1.00 43.52 H new ATOM 0 HA LYS A 72 8.741 -3.044 -3.700 1.00 31.01 H new ATOM 0 HB2 LYS A 72 9.355 -0.548 -2.090 1.00 44.11 H new ATOM 0 HB3 LYS A 72 8.621 -1.948 -1.334 1.00 44.11 H new ATOM 0 HG2 LYS A 72 10.982 -2.078 -0.921 1.00 42.30 H new ATOM 0 HG3 LYS A 72 10.593 -3.336 -2.078 1.00 42.30 H new ATOM 0 HD2 LYS A 72 12.674 -2.271 -2.752 1.00 34.30 H new ATOM 0 HD3 LYS A 72 11.439 -1.885 -3.934 1.00 34.30 H new ATOM 0 HE2 LYS A 72 11.108 0.351 -2.857 1.00 41.43 H new ATOM 0 HE3 LYS A 72 12.348 -0.035 -1.680 1.00 41.43 H new ATOM 0 HZ1 LYS A 72 12.885 1.280 -3.872 1.00 42.01 H new ATOM 0 HZ2 LYS A 72 14.007 0.199 -3.195 1.00 42.01 H new ATOM 0 HZ3 LYS A 72 13.052 -0.282 -4.515 1.00 42.01 H new ATOM 1176 N VAL A 73 6.273 -2.733 -3.010 1.00 64.21 N ATOM 1177 CA VAL A 73 4.825 -2.603 -2.790 1.00 73.43 C ATOM 1178 C VAL A 73 4.382 -3.498 -1.619 1.00 24.21 C ATOM 1179 O VAL A 73 4.774 -4.670 -1.521 1.00 62.41 O ATOM 1180 CB VAL A 73 3.989 -2.919 -4.096 1.00 45.33 C ATOM 1181 CG1 VAL A 73 4.271 -4.337 -4.642 1.00 4.25 C ATOM 1182 CG2 VAL A 73 2.471 -2.683 -3.868 1.00 24.33 C ATOM 0 H VAL A 73 6.630 -3.675 -2.852 1.00 64.21 H new ATOM 0 HA VAL A 73 4.623 -1.563 -2.534 1.00 73.43 H new ATOM 0 HB VAL A 73 4.319 -2.218 -4.863 1.00 45.33 H new ATOM 0 HG11 VAL A 73 3.674 -4.507 -5.538 1.00 4.25 H new ATOM 0 HG12 VAL A 73 5.329 -4.429 -4.888 1.00 4.25 H new ATOM 0 HG13 VAL A 73 4.009 -5.077 -3.886 1.00 4.25 H new ATOM 0 HG21 VAL A 73 1.926 -2.909 -4.784 1.00 24.33 H new ATOM 0 HG22 VAL A 73 2.118 -3.332 -3.066 1.00 24.33 H new ATOM 0 HG23 VAL A 73 2.302 -1.642 -3.593 1.00 24.33 H new ATOM 1192 N LEU A 74 3.589 -2.912 -0.725 1.00 64.20 N ATOM 1193 CA LEU A 74 2.957 -3.606 0.385 1.00 43.12 C ATOM 1194 C LEU A 74 1.451 -3.607 0.152 1.00 74.54 C ATOM 1195 O LEU A 74 0.886 -2.593 -0.253 1.00 55.14 O ATOM 1196 CB LEU A 74 3.291 -2.916 1.727 1.00 2.32 C ATOM 1197 CG LEU A 74 2.606 -3.535 2.984 1.00 35.11 C ATOM 1198 CD1 LEU A 74 2.886 -5.047 3.074 1.00 50.00 C ATOM 1199 CD2 LEU A 74 3.018 -2.794 4.276 1.00 22.43 C ATOM 0 H LEU A 74 3.365 -1.917 -0.757 1.00 64.20 H new ATOM 0 HA LEU A 74 3.331 -4.629 0.438 1.00 43.12 H new ATOM 0 HB2 LEU A 74 4.371 -2.943 1.872 1.00 2.32 H new ATOM 0 HB3 LEU A 74 3.005 -1.866 1.658 1.00 2.32 H new ATOM 0 HG LEU A 74 1.529 -3.407 2.877 1.00 35.11 H new ATOM 0 HD11 LEU A 74 2.398 -5.455 3.959 1.00 50.00 H new ATOM 0 HD12 LEU A 74 2.498 -5.543 2.184 1.00 50.00 H new ATOM 0 HD13 LEU A 74 3.961 -5.215 3.143 1.00 50.00 H new ATOM 0 HD21 LEU A 74 2.522 -3.252 5.132 1.00 22.43 H new ATOM 0 HD22 LEU A 74 4.098 -2.860 4.405 1.00 22.43 H new ATOM 0 HD23 LEU A 74 2.725 -1.747 4.204 1.00 22.43 H new ATOM 1211 N ILE A 75 0.823 -4.758 0.392 1.00 31.01 N ATOM 1212 CA ILE A 75 -0.625 -4.936 0.274 1.00 43.01 C ATOM 1213 C ILE A 75 -1.201 -5.311 1.642 1.00 74.34 C ATOM 1214 O ILE A 75 -0.821 -6.328 2.235 1.00 73.33 O ATOM 1215 CB ILE A 75 -0.971 -6.035 -0.794 1.00 34.32 C ATOM 1216 CG1 ILE A 75 -0.427 -5.622 -2.206 1.00 1.14 C ATOM 1217 CG2 ILE A 75 -2.491 -6.348 -0.831 1.00 74.52 C ATOM 1218 CD1 ILE A 75 -0.859 -4.242 -2.701 1.00 21.24 C ATOM 0 H ILE A 75 1.313 -5.606 0.678 1.00 31.01 H new ATOM 0 HA ILE A 75 -1.072 -4.000 -0.061 1.00 43.01 H new ATOM 0 HB ILE A 75 -0.472 -6.958 -0.498 1.00 34.32 H new ATOM 0 HG12 ILE A 75 0.662 -5.655 -2.180 1.00 1.14 H new ATOM 0 HG13 ILE A 75 -0.751 -6.367 -2.933 1.00 1.14 H new ATOM 0 HG21 ILE A 75 -2.687 -7.113 -1.583 1.00 74.52 H new ATOM 0 HG22 ILE A 75 -2.812 -6.709 0.146 1.00 74.52 H new ATOM 0 HG23 ILE A 75 -3.043 -5.442 -1.083 1.00 74.52 H new ATOM 0 HD11 ILE A 75 -0.428 -4.057 -3.685 1.00 21.24 H new ATOM 0 HD12 ILE A 75 -1.946 -4.203 -2.768 1.00 21.24 H new ATOM 0 HD13 ILE A 75 -0.511 -3.480 -2.004 1.00 21.24 H new ATOM 1230 N LEU A 76 -2.099 -4.459 2.132 1.00 10.33 N ATOM 1231 CA LEU A 76 -2.803 -4.632 3.400 1.00 32.23 C ATOM 1232 C LEU A 76 -4.301 -4.725 3.101 1.00 32.52 C ATOM 1233 O LEU A 76 -4.871 -3.818 2.486 1.00 62.34 O ATOM 1234 CB LEU A 76 -2.486 -3.440 4.348 1.00 74.50 C ATOM 1235 CG LEU A 76 -0.977 -3.262 4.722 1.00 4.24 C ATOM 1236 CD1 LEU A 76 -0.747 -2.014 5.601 1.00 2.33 C ATOM 1237 CD2 LEU A 76 -0.413 -4.537 5.397 1.00 43.00 C ATOM 0 H LEU A 76 -2.364 -3.604 1.643 1.00 10.33 H new ATOM 0 HA LEU A 76 -2.479 -5.543 3.902 1.00 32.23 H new ATOM 0 HB2 LEU A 76 -2.837 -2.521 3.878 1.00 74.50 H new ATOM 0 HB3 LEU A 76 -3.058 -3.567 5.267 1.00 74.50 H new ATOM 0 HG LEU A 76 -0.430 -3.106 3.792 1.00 4.24 H new ATOM 0 HD11 LEU A 76 0.313 -1.927 5.838 1.00 2.33 H new ATOM 0 HD12 LEU A 76 -1.073 -1.124 5.062 1.00 2.33 H new ATOM 0 HD13 LEU A 76 -1.319 -2.109 6.524 1.00 2.33 H new ATOM 0 HD21 LEU A 76 0.637 -4.383 5.645 1.00 43.00 H new ATOM 0 HD22 LEU A 76 -0.974 -4.745 6.308 1.00 43.00 H new ATOM 0 HD23 LEU A 76 -0.504 -5.381 4.714 1.00 43.00 H new ATOM 1249 N SER A 77 -4.924 -5.832 3.501 1.00 43.10 N ATOM 1250 CA SER A 77 -6.361 -6.057 3.298 1.00 31.31 C ATOM 1251 C SER A 77 -6.926 -6.806 4.502 1.00 34.13 C ATOM 1252 O SER A 77 -6.224 -7.615 5.124 1.00 12.44 O ATOM 1253 CB SER A 77 -6.626 -6.852 1.993 1.00 30.51 C ATOM 1254 OG SER A 77 -8.018 -7.029 1.768 1.00 11.05 O ATOM 0 H SER A 77 -4.450 -6.601 3.975 1.00 43.10 H new ATOM 0 HA SER A 77 -6.858 -5.092 3.201 1.00 31.31 H new ATOM 0 HB2 SER A 77 -6.183 -6.325 1.148 1.00 30.51 H new ATOM 0 HB3 SER A 77 -6.139 -7.825 2.053 1.00 30.51 H new ATOM 0 HG SER A 77 -8.154 -7.532 0.938 1.00 11.05 H new ATOM 1260 N SER A 78 -8.191 -6.517 4.826 1.00 4.51 N ATOM 1261 CA SER A 78 -8.906 -7.181 5.918 1.00 52.24 C ATOM 1262 C SER A 78 -9.154 -8.656 5.567 1.00 62.10 C ATOM 1263 O SER A 78 -9.047 -9.543 6.427 1.00 53.23 O ATOM 1264 CB SER A 78 -10.240 -6.451 6.184 1.00 64.41 C ATOM 1265 OG SER A 78 -10.026 -5.071 6.434 1.00 74.32 O ATOM 0 H SER A 78 -8.747 -5.815 4.337 1.00 4.51 H new ATOM 0 HA SER A 78 -8.300 -7.143 6.823 1.00 52.24 H new ATOM 0 HB2 SER A 78 -10.901 -6.570 5.325 1.00 64.41 H new ATOM 0 HB3 SER A 78 -10.742 -6.905 7.038 1.00 64.41 H new ATOM 0 HG SER A 78 -10.886 -4.631 6.598 1.00 74.32 H new ATOM 1271 N ASP A 79 -9.442 -8.894 4.276 1.00 44.21 N ATOM 1272 CA ASP A 79 -9.735 -10.224 3.743 1.00 55.03 C ATOM 1273 C ASP A 79 -8.442 -11.024 3.589 1.00 21.04 C ATOM 1274 O ASP A 79 -7.611 -10.725 2.725 1.00 54.24 O ATOM 1275 CB ASP A 79 -10.475 -10.127 2.395 1.00 21.33 C ATOM 1276 CG ASP A 79 -11.878 -9.539 2.548 1.00 61.44 C ATOM 1277 OD1 ASP A 79 -12.033 -8.311 2.436 1.00 33.03 O ATOM 1278 OD2 ASP A 79 -12.828 -10.306 2.821 1.00 45.15 O ATOM 0 H ASP A 79 -9.477 -8.158 3.571 1.00 44.21 H new ATOM 0 HA ASP A 79 -10.387 -10.741 4.447 1.00 55.03 H new ATOM 0 HB2 ASP A 79 -9.897 -9.509 1.708 1.00 21.33 H new ATOM 0 HB3 ASP A 79 -10.545 -11.119 1.949 1.00 21.33 H new ATOM 1283 N GLU A 80 -8.295 -12.038 4.454 1.00 14.13 N ATOM 1284 CA GLU A 80 -7.129 -12.937 4.493 1.00 4.42 C ATOM 1285 C GLU A 80 -7.103 -13.845 3.256 1.00 73.25 C ATOM 1286 O GLU A 80 -6.028 -14.248 2.800 1.00 24.35 O ATOM 1287 CB GLU A 80 -7.154 -13.779 5.797 1.00 14.32 C ATOM 1288 CG GLU A 80 -7.382 -12.936 7.057 1.00 74.34 C ATOM 1289 CD GLU A 80 -7.386 -13.753 8.356 1.00 4.13 C ATOM 1290 OE1 GLU A 80 -8.461 -14.239 8.767 1.00 23.53 O ATOM 1291 OE2 GLU A 80 -6.318 -13.904 8.981 1.00 21.25 O ATOM 0 H GLU A 80 -8.996 -12.262 5.160 1.00 14.13 H new ATOM 0 HA GLU A 80 -6.220 -12.335 4.484 1.00 4.42 H new ATOM 0 HB2 GLU A 80 -7.941 -14.529 5.722 1.00 14.32 H new ATOM 0 HB3 GLU A 80 -6.210 -14.316 5.893 1.00 14.32 H new ATOM 0 HG2 GLU A 80 -6.604 -12.175 7.120 1.00 74.34 H new ATOM 0 HG3 GLU A 80 -8.333 -12.412 6.965 1.00 74.34 H new ATOM 1298 N ASN A 81 -8.301 -14.145 2.709 1.00 32.34 N ATOM 1299 CA ASN A 81 -8.440 -14.966 1.490 1.00 63.41 C ATOM 1300 C ASN A 81 -7.960 -14.173 0.264 1.00 2.43 C ATOM 1301 O ASN A 81 -7.365 -14.741 -0.653 1.00 32.33 O ATOM 1302 CB ASN A 81 -9.902 -15.452 1.287 1.00 5.42 C ATOM 1303 CG ASN A 81 -10.426 -16.272 2.469 1.00 72.10 C ATOM 1304 OD1 ASN A 81 -10.169 -17.470 2.571 1.00 12.44 O ATOM 1305 ND2 ASN A 81 -11.185 -15.643 3.351 1.00 43.51 N ATOM 0 H ASN A 81 -9.190 -13.828 3.096 1.00 32.34 H new ATOM 0 HA ASN A 81 -7.816 -15.852 1.610 1.00 63.41 H new ATOM 0 HB2 ASN A 81 -10.549 -14.588 1.135 1.00 5.42 H new ATOM 0 HB3 ASN A 81 -9.957 -16.055 0.380 1.00 5.42 H new ATOM 0 HD21 ASN A 81 -11.575 -16.153 4.144 1.00 43.51 H new ATOM 0 HD22 ASN A 81 -11.380 -14.648 3.239 1.00 43.51 H new ATOM 1312 N ILE A 82 -8.194 -12.849 0.280 1.00 21.42 N ATOM 1313 CA ILE A 82 -7.717 -11.937 -0.775 1.00 73.34 C ATOM 1314 C ILE A 82 -6.200 -11.712 -0.644 1.00 73.14 C ATOM 1315 O ILE A 82 -5.511 -11.664 -1.656 1.00 14.12 O ATOM 1316 CB ILE A 82 -8.531 -10.582 -0.775 1.00 20.32 C ATOM 1317 CG1 ILE A 82 -9.980 -10.865 -1.302 1.00 23.43 C ATOM 1318 CG2 ILE A 82 -7.835 -9.456 -1.589 1.00 41.51 C ATOM 1319 CD1 ILE A 82 -10.914 -9.678 -1.309 1.00 25.30 C ATOM 0 H ILE A 82 -8.717 -12.382 1.021 1.00 21.42 H new ATOM 0 HA ILE A 82 -7.895 -12.403 -1.744 1.00 73.34 H new ATOM 0 HB ILE A 82 -8.577 -10.209 0.248 1.00 20.32 H new ATOM 0 HG12 ILE A 82 -9.909 -11.255 -2.317 1.00 23.43 H new ATOM 0 HG13 ILE A 82 -10.423 -11.650 -0.690 1.00 23.43 H new ATOM 0 HG21 ILE A 82 -8.442 -8.551 -1.551 1.00 41.51 H new ATOM 0 HG22 ILE A 82 -6.853 -9.252 -1.162 1.00 41.51 H new ATOM 0 HG23 ILE A 82 -7.721 -9.774 -2.625 1.00 41.51 H new ATOM 0 HD11 ILE A 82 -11.888 -9.984 -1.691 1.00 25.30 H new ATOM 0 HD12 ILE A 82 -11.026 -9.297 -0.294 1.00 25.30 H new ATOM 0 HD13 ILE A 82 -10.503 -8.895 -1.947 1.00 25.30 H new ATOM 1331 N ILE A 83 -5.680 -11.632 0.606 1.00 32.02 N ATOM 1332 CA ILE A 83 -4.217 -11.604 0.861 1.00 54.21 C ATOM 1333 C ILE A 83 -3.555 -12.855 0.235 1.00 4.11 C ATOM 1334 O ILE A 83 -2.555 -12.736 -0.476 1.00 42.35 O ATOM 1335 CB ILE A 83 -3.892 -11.490 2.413 1.00 63.04 C ATOM 1336 CG1 ILE A 83 -4.280 -10.067 2.946 1.00 53.13 C ATOM 1337 CG2 ILE A 83 -2.406 -11.822 2.742 1.00 52.41 C ATOM 1338 CD1 ILE A 83 -3.506 -8.910 2.306 1.00 11.02 C ATOM 0 H ILE A 83 -6.249 -11.586 1.451 1.00 32.02 H new ATOM 0 HA ILE A 83 -3.801 -10.714 0.389 1.00 54.21 H new ATOM 0 HB ILE A 83 -4.496 -12.239 2.925 1.00 63.04 H new ATOM 0 HG12 ILE A 83 -5.346 -9.910 2.779 1.00 53.13 H new ATOM 0 HG13 ILE A 83 -4.119 -10.041 4.024 1.00 53.13 H new ATOM 0 HG21 ILE A 83 -2.241 -11.728 3.815 1.00 52.41 H new ATOM 0 HG22 ILE A 83 -2.183 -12.842 2.429 1.00 52.41 H new ATOM 0 HG23 ILE A 83 -1.752 -11.129 2.213 1.00 52.41 H new ATOM 0 HD11 ILE A 83 -3.841 -7.966 2.736 1.00 11.02 H new ATOM 0 HD12 ILE A 83 -2.440 -9.037 2.495 1.00 11.02 H new ATOM 0 HD13 ILE A 83 -3.685 -8.903 1.231 1.00 11.02 H new ATOM 1350 N GLU A 84 -4.197 -14.029 0.435 1.00 25.44 N ATOM 1351 CA GLU A 84 -3.747 -15.315 -0.134 1.00 13.24 C ATOM 1352 C GLU A 84 -3.745 -15.260 -1.672 1.00 3.31 C ATOM 1353 O GLU A 84 -2.790 -15.718 -2.303 1.00 71.20 O ATOM 1354 CB GLU A 84 -4.651 -16.480 0.356 1.00 31.20 C ATOM 1355 CG GLU A 84 -4.212 -17.872 -0.142 1.00 21.42 C ATOM 1356 CD GLU A 84 -5.214 -18.977 0.217 1.00 52.34 C ATOM 1357 OE1 GLU A 84 -6.184 -19.176 -0.548 1.00 20.54 O ATOM 1358 OE2 GLU A 84 -5.039 -19.652 1.256 1.00 13.11 O ATOM 0 H GLU A 84 -5.044 -14.108 0.998 1.00 25.44 H new ATOM 0 HA GLU A 84 -2.728 -15.496 0.210 1.00 13.24 H new ATOM 0 HB2 GLU A 84 -4.662 -16.483 1.446 1.00 31.20 H new ATOM 0 HB3 GLU A 84 -5.674 -16.295 0.027 1.00 31.20 H new ATOM 0 HG2 GLU A 84 -4.084 -17.842 -1.224 1.00 21.42 H new ATOM 0 HG3 GLU A 84 -3.240 -18.116 0.287 1.00 21.42 H new ATOM 1365 N SER A 85 -4.817 -14.665 -2.247 1.00 20.04 N ATOM 1366 CA SER A 85 -4.978 -14.512 -3.707 1.00 14.11 C ATOM 1367 C SER A 85 -3.821 -13.697 -4.312 1.00 61.31 C ATOM 1368 O SER A 85 -3.229 -14.088 -5.320 1.00 63.44 O ATOM 1369 CB SER A 85 -6.334 -13.832 -4.023 1.00 11.42 C ATOM 1370 OG SER A 85 -7.423 -14.584 -3.498 1.00 70.14 O ATOM 0 H SER A 85 -5.593 -14.279 -1.709 1.00 20.04 H new ATOM 0 HA SER A 85 -4.962 -15.505 -4.157 1.00 14.11 H new ATOM 0 HB2 SER A 85 -6.346 -12.827 -3.602 1.00 11.42 H new ATOM 0 HB3 SER A 85 -6.448 -13.727 -5.102 1.00 11.42 H new ATOM 0 HG SER A 85 -7.369 -14.598 -2.520 1.00 70.14 H new ATOM 1376 N ILE A 86 -3.482 -12.591 -3.640 1.00 72.45 N ATOM 1377 CA ILE A 86 -2.426 -11.667 -4.076 1.00 44.35 C ATOM 1378 C ILE A 86 -1.032 -12.329 -3.964 1.00 10.20 C ATOM 1379 O ILE A 86 -0.147 -12.060 -4.776 1.00 35.00 O ATOM 1380 CB ILE A 86 -2.510 -10.325 -3.245 1.00 71.44 C ATOM 1381 CG1 ILE A 86 -3.919 -9.650 -3.423 1.00 61.32 C ATOM 1382 CG2 ILE A 86 -1.380 -9.343 -3.610 1.00 24.34 C ATOM 1383 CD1 ILE A 86 -4.376 -9.440 -4.869 1.00 63.23 C ATOM 0 H ILE A 86 -3.936 -12.309 -2.771 1.00 72.45 H new ATOM 0 HA ILE A 86 -2.578 -11.423 -5.127 1.00 44.35 H new ATOM 0 HB ILE A 86 -2.379 -10.586 -2.195 1.00 71.44 H new ATOM 0 HG12 ILE A 86 -4.662 -10.262 -2.912 1.00 61.32 H new ATOM 0 HG13 ILE A 86 -3.904 -8.682 -2.922 1.00 61.32 H new ATOM 0 HG21 ILE A 86 -1.479 -8.436 -3.014 1.00 24.34 H new ATOM 0 HG22 ILE A 86 -0.415 -9.807 -3.407 1.00 24.34 H new ATOM 0 HG23 ILE A 86 -1.445 -9.090 -4.668 1.00 24.34 H new ATOM 0 HD11 ILE A 86 -5.359 -8.968 -4.875 1.00 63.23 H new ATOM 0 HD12 ILE A 86 -3.663 -8.799 -5.387 1.00 63.23 H new ATOM 0 HD13 ILE A 86 -4.433 -10.403 -5.376 1.00 63.23 H new ATOM 1395 N ARG A 87 -0.871 -13.225 -2.979 1.00 42.13 N ATOM 1396 CA ARG A 87 0.390 -13.970 -2.767 1.00 10.11 C ATOM 1397 C ARG A 87 0.578 -15.099 -3.800 1.00 0.11 C ATOM 1398 O ARG A 87 1.692 -15.317 -4.283 1.00 4.20 O ATOM 1399 CB ARG A 87 0.431 -14.568 -1.339 1.00 51.13 C ATOM 1400 CG ARG A 87 0.437 -13.515 -0.220 1.00 62.32 C ATOM 1401 CD ARG A 87 0.568 -14.117 1.189 1.00 45.34 C ATOM 1402 NE ARG A 87 -0.559 -15.007 1.560 1.00 14.41 N ATOM 1403 CZ ARG A 87 -0.471 -16.342 1.698 1.00 34.41 C ATOM 1404 NH1 ARG A 87 0.674 -16.971 1.486 1.00 32.34 N ATOM 1405 NH2 ARG A 87 -1.533 -17.039 2.076 1.00 73.34 N ATOM 0 H ARG A 87 -1.603 -13.456 -2.308 1.00 42.13 H new ATOM 0 HA ARG A 87 1.205 -13.258 -2.893 1.00 10.11 H new ATOM 0 HB2 ARG A 87 -0.431 -15.221 -1.205 1.00 51.13 H new ATOM 0 HB3 ARG A 87 1.320 -15.191 -1.242 1.00 51.13 H new ATOM 0 HG2 ARG A 87 1.262 -12.822 -0.388 1.00 62.32 H new ATOM 0 HG3 ARG A 87 -0.484 -12.934 -0.274 1.00 62.32 H new ATOM 0 HD2 ARG A 87 1.500 -14.679 1.250 1.00 45.34 H new ATOM 0 HD3 ARG A 87 0.636 -13.308 1.916 1.00 45.34 H new ATOM 0 HE ARG A 87 -1.468 -14.574 1.723 1.00 14.41 H new ATOM 0 HH11 ARG A 87 1.503 -16.443 1.215 1.00 32.34 H new ATOM 0 HH12 ARG A 87 0.727 -17.984 1.594 1.00 32.34 H new ATOM 0 HH21 ARG A 87 -2.416 -16.563 2.262 1.00 73.34 H new ATOM 0 HH22 ARG A 87 -1.468 -18.051 2.181 1.00 73.34 H new ATOM 1419 N LYS A 88 -0.513 -15.820 -4.126 1.00 32.55 N ATOM 1420 CA LYS A 88 -0.450 -17.008 -5.008 1.00 1.11 C ATOM 1421 C LYS A 88 -0.295 -16.592 -6.483 1.00 32.41 C ATOM 1422 O LYS A 88 0.269 -17.345 -7.287 1.00 64.12 O ATOM 1423 CB LYS A 88 -1.693 -17.922 -4.811 1.00 13.31 C ATOM 1424 CG LYS A 88 -3.039 -17.292 -5.223 1.00 1.24 C ATOM 1425 CD LYS A 88 -4.253 -18.211 -4.970 1.00 32.23 C ATOM 1426 CE LYS A 88 -4.227 -19.495 -5.815 1.00 13.21 C ATOM 1427 NZ LYS A 88 -5.470 -20.289 -5.634 1.00 44.43 N ATOM 0 H LYS A 88 -1.452 -15.602 -3.792 1.00 32.55 H new ATOM 0 HA LYS A 88 0.432 -17.585 -4.728 1.00 1.11 H new ATOM 0 HB2 LYS A 88 -1.547 -18.837 -5.385 1.00 13.31 H new ATOM 0 HB3 LYS A 88 -1.750 -18.210 -3.761 1.00 13.31 H new ATOM 0 HG2 LYS A 88 -3.178 -16.361 -4.674 1.00 1.24 H new ATOM 0 HG3 LYS A 88 -3.002 -17.036 -6.282 1.00 1.24 H new ATOM 0 HD2 LYS A 88 -4.284 -18.479 -3.914 1.00 32.23 H new ATOM 0 HD3 LYS A 88 -5.169 -17.660 -5.186 1.00 32.23 H new ATOM 0 HE2 LYS A 88 -4.108 -19.237 -6.867 1.00 13.21 H new ATOM 0 HE3 LYS A 88 -3.364 -20.099 -5.535 1.00 13.21 H new ATOM 0 HZ1 LYS A 88 -5.421 -21.149 -6.217 1.00 44.43 H new ATOM 0 HZ2 LYS A 88 -5.570 -20.555 -4.633 1.00 44.43 H new ATOM 0 HZ3 LYS A 88 -6.291 -19.720 -5.924 1.00 44.43 H new ATOM 1441 N GLN A 89 -0.825 -15.401 -6.833 1.00 62.42 N ATOM 1442 CA GLN A 89 -0.605 -14.784 -8.155 1.00 63.12 C ATOM 1443 C GLN A 89 0.808 -14.180 -8.212 1.00 44.03 C ATOM 1444 O GLN A 89 1.608 -14.506 -9.096 1.00 12.13 O ATOM 1445 CB GLN A 89 -1.645 -13.660 -8.418 1.00 53.33 C ATOM 1446 CG GLN A 89 -3.117 -14.118 -8.449 1.00 41.20 C ATOM 1447 CD GLN A 89 -4.109 -12.948 -8.505 1.00 65.14 C ATOM 1448 OE1 GLN A 89 -3.824 -11.890 -9.069 1.00 74.31 O ATOM 1449 NE2 GLN A 89 -5.275 -13.124 -7.913 1.00 54.14 N ATOM 0 H GLN A 89 -1.413 -14.845 -6.212 1.00 62.42 H new ATOM 0 HA GLN A 89 -0.716 -15.555 -8.917 1.00 63.12 H new ATOM 0 HB2 GLN A 89 -1.535 -12.898 -7.646 1.00 53.33 H new ATOM 0 HB3 GLN A 89 -1.409 -13.185 -9.370 1.00 53.33 H new ATOM 0 HG2 GLN A 89 -3.273 -14.761 -9.315 1.00 41.20 H new ATOM 0 HG3 GLN A 89 -3.323 -14.720 -7.564 1.00 41.20 H new ATOM 0 HE21 GLN A 89 -5.485 -14.010 -7.453 1.00 54.14 H new ATOM 0 HE22 GLN A 89 -5.966 -12.374 -7.915 1.00 54.14 H new ATOM 1458 N TYR A 90 1.094 -13.305 -7.231 1.00 2.14 N ATOM 1459 CA TYR A 90 2.328 -12.507 -7.167 1.00 70.53 C ATOM 1460 C TYR A 90 3.182 -12.971 -5.957 1.00 31.21 C ATOM 1461 O TYR A 90 2.864 -12.625 -4.816 1.00 31.00 O ATOM 1462 CB TYR A 90 1.972 -10.997 -7.021 1.00 74.52 C ATOM 1463 CG TYR A 90 0.917 -10.463 -8.005 1.00 62.11 C ATOM 1464 CD1 TYR A 90 1.233 -10.215 -9.341 1.00 25.34 C ATOM 1465 CD2 TYR A 90 -0.400 -10.197 -7.592 1.00 62.33 C ATOM 1466 CE1 TYR A 90 0.291 -9.713 -10.220 1.00 4.23 C ATOM 1467 CE2 TYR A 90 -1.341 -9.699 -8.473 1.00 65.32 C ATOM 1468 CZ TYR A 90 -0.991 -9.465 -9.783 1.00 33.21 C ATOM 1469 OH TYR A 90 -1.920 -8.962 -10.662 1.00 51.24 O ATOM 0 H TYR A 90 0.463 -13.131 -6.449 1.00 2.14 H new ATOM 0 HA TYR A 90 2.900 -12.648 -8.084 1.00 70.53 H new ATOM 0 HB2 TYR A 90 1.616 -10.823 -6.006 1.00 74.52 H new ATOM 0 HB3 TYR A 90 2.885 -10.414 -7.143 1.00 74.52 H new ATOM 0 HD1 TYR A 90 2.233 -10.419 -9.696 1.00 25.34 H new ATOM 0 HD2 TYR A 90 -0.682 -10.385 -6.567 1.00 62.33 H new ATOM 0 HE1 TYR A 90 0.560 -9.516 -11.247 1.00 4.23 H new ATOM 0 HE2 TYR A 90 -2.346 -9.494 -8.135 1.00 65.32 H new ATOM 0 HH TYR A 90 -1.713 -9.271 -11.569 1.00 51.24 H new ATOM 1479 N PRO A 91 4.256 -13.791 -6.169 1.00 4.44 N ATOM 1480 CA PRO A 91 5.112 -14.299 -5.053 1.00 42.02 C ATOM 1481 C PRO A 91 5.996 -13.207 -4.394 1.00 1.21 C ATOM 1482 O PRO A 91 6.319 -13.299 -3.198 1.00 14.30 O ATOM 1483 CB PRO A 91 5.981 -15.376 -5.753 1.00 52.42 C ATOM 1484 CG PRO A 91 6.051 -14.937 -7.186 1.00 45.44 C ATOM 1485 CD PRO A 91 4.698 -14.328 -7.490 1.00 74.04 C ATOM 0 HA PRO A 91 4.513 -14.674 -4.223 1.00 42.02 H new ATOM 0 HB2 PRO A 91 6.974 -15.434 -5.308 1.00 52.42 H new ATOM 0 HB3 PRO A 91 5.533 -16.366 -5.664 1.00 52.42 H new ATOM 0 HG2 PRO A 91 6.850 -14.211 -7.335 1.00 45.44 H new ATOM 0 HG3 PRO A 91 6.259 -15.780 -7.845 1.00 45.44 H new ATOM 0 HD2 PRO A 91 4.771 -13.540 -8.240 1.00 74.04 H new ATOM 0 HD3 PRO A 91 4.000 -15.071 -7.876 1.00 74.04 H new ATOM 1493 N LYS A 92 6.380 -12.187 -5.181 1.00 4.33 N ATOM 1494 CA LYS A 92 7.361 -11.162 -4.761 1.00 34.31 C ATOM 1495 C LYS A 92 6.754 -10.107 -3.818 1.00 23.43 C ATOM 1496 O LYS A 92 7.477 -9.542 -2.986 1.00 34.44 O ATOM 1497 CB LYS A 92 7.956 -10.442 -5.999 1.00 32.21 C ATOM 1498 CG LYS A 92 8.762 -11.339 -6.966 1.00 14.44 C ATOM 1499 CD LYS A 92 9.283 -10.532 -8.178 1.00 23.54 C ATOM 1500 CE LYS A 92 10.198 -11.347 -9.102 1.00 50.20 C ATOM 1501 NZ LYS A 92 10.668 -10.528 -10.251 1.00 23.11 N ATOM 0 H LYS A 92 6.022 -12.047 -6.126 1.00 4.33 H new ATOM 0 HA LYS A 92 8.142 -11.692 -4.216 1.00 34.31 H new ATOM 0 HB2 LYS A 92 7.141 -9.979 -6.555 1.00 32.21 H new ATOM 0 HB3 LYS A 92 8.604 -9.637 -5.653 1.00 32.21 H new ATOM 0 HG2 LYS A 92 9.603 -11.786 -6.435 1.00 14.44 H new ATOM 0 HG3 LYS A 92 8.133 -12.158 -7.315 1.00 14.44 H new ATOM 0 HD2 LYS A 92 8.433 -10.163 -8.753 1.00 23.54 H new ATOM 0 HD3 LYS A 92 9.827 -9.659 -7.818 1.00 23.54 H new ATOM 0 HE2 LYS A 92 11.056 -11.713 -8.538 1.00 50.20 H new ATOM 0 HE3 LYS A 92 9.662 -12.221 -9.470 1.00 50.20 H new ATOM 0 HZ1 LYS A 92 11.285 -11.104 -10.859 1.00 23.11 H new ATOM 0 HZ2 LYS A 92 9.849 -10.199 -10.801 1.00 23.11 H new ATOM 0 HZ3 LYS A 92 11.200 -9.707 -9.898 1.00 23.11 H new ATOM 1515 N VAL A 93 5.448 -9.833 -3.967 1.00 0.32 N ATOM 1516 CA VAL A 93 4.776 -8.732 -3.248 1.00 13.52 C ATOM 1517 C VAL A 93 4.692 -9.019 -1.736 1.00 75.43 C ATOM 1518 O VAL A 93 4.342 -10.140 -1.325 1.00 33.01 O ATOM 1519 CB VAL A 93 3.331 -8.455 -3.829 1.00 33.42 C ATOM 1520 CG1 VAL A 93 2.410 -9.690 -3.707 1.00 44.21 C ATOM 1521 CG2 VAL A 93 2.675 -7.222 -3.170 1.00 50.13 C ATOM 0 H VAL A 93 4.830 -10.362 -4.583 1.00 0.32 H new ATOM 0 HA VAL A 93 5.382 -7.838 -3.398 1.00 13.52 H new ATOM 0 HB VAL A 93 3.461 -8.241 -4.890 1.00 33.42 H new ATOM 0 HG11 VAL A 93 1.429 -9.454 -4.118 1.00 44.21 H new ATOM 0 HG12 VAL A 93 2.844 -10.524 -4.259 1.00 44.21 H new ATOM 0 HG13 VAL A 93 2.307 -9.965 -2.657 1.00 44.21 H new ATOM 0 HG21 VAL A 93 1.684 -7.066 -3.596 1.00 50.13 H new ATOM 0 HG22 VAL A 93 2.586 -7.387 -2.096 1.00 50.13 H new ATOM 0 HG23 VAL A 93 3.291 -6.341 -3.352 1.00 50.13 H new ATOM 1531 N GLU A 94 5.051 -8.018 -0.912 1.00 22.23 N ATOM 1532 CA GLU A 94 4.797 -8.065 0.533 1.00 21.34 C ATOM 1533 C GLU A 94 3.301 -7.858 0.786 1.00 13.34 C ATOM 1534 O GLU A 94 2.672 -6.985 0.186 1.00 41.53 O ATOM 1535 CB GLU A 94 5.649 -7.039 1.323 1.00 2.24 C ATOM 1536 CG GLU A 94 7.111 -7.474 1.567 1.00 61.43 C ATOM 1537 CD GLU A 94 7.932 -7.648 0.279 1.00 12.31 C ATOM 1538 OE1 GLU A 94 8.231 -8.803 -0.107 1.00 51.12 O ATOM 1539 OE2 GLU A 94 8.285 -6.625 -0.350 1.00 31.44 O ATOM 0 H GLU A 94 5.518 -7.167 -1.226 1.00 22.23 H new ATOM 0 HA GLU A 94 5.098 -9.046 0.899 1.00 21.34 H new ATOM 0 HB2 GLU A 94 5.650 -6.093 0.782 1.00 2.24 H new ATOM 0 HB3 GLU A 94 5.172 -6.855 2.286 1.00 2.24 H new ATOM 0 HG2 GLU A 94 7.599 -6.733 2.200 1.00 61.43 H new ATOM 0 HG3 GLU A 94 7.113 -8.415 2.117 1.00 61.43 H new ATOM 1546 N THR A 95 2.764 -8.676 1.680 1.00 40.31 N ATOM 1547 CA THR A 95 1.331 -8.807 1.943 1.00 31.02 C ATOM 1548 C THR A 95 1.137 -9.123 3.426 1.00 2.10 C ATOM 1549 O THR A 95 1.981 -9.805 4.018 1.00 71.33 O ATOM 1550 CB THR A 95 0.734 -9.973 1.083 1.00 53.40 C ATOM 1551 OG1 THR A 95 1.699 -11.035 1.035 1.00 51.42 O ATOM 1552 CG2 THR A 95 0.376 -9.550 -0.351 1.00 31.35 C ATOM 0 H THR A 95 3.331 -9.290 2.265 1.00 40.31 H new ATOM 0 HA THR A 95 0.823 -7.879 1.683 1.00 31.02 H new ATOM 0 HB THR A 95 -0.196 -10.290 1.556 1.00 53.40 H new ATOM 0 HG1 THR A 95 2.194 -10.989 0.190 1.00 51.42 H new ATOM 0 HG21 THR A 95 -0.032 -10.404 -0.891 1.00 31.35 H new ATOM 0 HG22 THR A 95 -0.366 -8.752 -0.320 1.00 31.35 H new ATOM 0 HG23 THR A 95 1.272 -9.193 -0.859 1.00 31.35 H new ATOM 1560 N ARG A 96 0.058 -8.607 4.018 1.00 5.04 N ATOM 1561 CA ARG A 96 -0.306 -8.891 5.410 1.00 33.23 C ATOM 1562 C ARG A 96 -1.768 -8.521 5.635 1.00 62.44 C ATOM 1563 O ARG A 96 -2.273 -7.564 5.026 1.00 64.45 O ATOM 1564 CB ARG A 96 0.612 -8.100 6.374 1.00 72.41 C ATOM 1565 CG ARG A 96 0.312 -8.248 7.888 1.00 31.55 C ATOM 1566 CD ARG A 96 1.237 -7.369 8.740 1.00 72.24 C ATOM 1567 NE ARG A 96 0.844 -7.289 10.154 1.00 12.34 N ATOM 1568 CZ ARG A 96 1.381 -6.429 11.035 1.00 75.15 C ATOM 1569 NH1 ARG A 96 2.349 -5.590 10.668 1.00 55.23 N ATOM 1570 NH2 ARG A 96 0.941 -6.404 12.275 1.00 1.43 N ATOM 0 H ARG A 96 -0.591 -7.978 3.545 1.00 5.04 H new ATOM 0 HA ARG A 96 -0.174 -9.954 5.611 1.00 33.23 H new ATOM 0 HB2 ARG A 96 1.642 -8.411 6.198 1.00 72.41 H new ATOM 0 HB3 ARG A 96 0.550 -7.043 6.115 1.00 72.41 H new ATOM 0 HG2 ARG A 96 -0.726 -7.977 8.081 1.00 31.55 H new ATOM 0 HG3 ARG A 96 0.430 -9.291 8.182 1.00 31.55 H new ATOM 0 HD2 ARG A 96 2.253 -7.759 8.677 1.00 72.24 H new ATOM 0 HD3 ARG A 96 1.255 -6.363 8.320 1.00 72.24 H new ATOM 0 HE ARG A 96 0.119 -7.925 10.486 1.00 12.34 H new ATOM 0 HH11 ARG A 96 2.691 -5.595 9.707 1.00 55.23 H new ATOM 0 HH12 ARG A 96 2.747 -4.942 11.348 1.00 55.23 H new ATOM 0 HH21 ARG A 96 0.195 -7.036 12.564 1.00 1.43 H new ATOM 0 HH22 ARG A 96 1.346 -5.752 12.947 1.00 1.43 H new ATOM 1584 N ARG A 97 -2.438 -9.281 6.507 1.00 41.14 N ATOM 1585 CA ARG A 97 -3.779 -8.946 6.969 1.00 44.14 C ATOM 1586 C ARG A 97 -3.713 -7.673 7.826 1.00 42.21 C ATOM 1587 O ARG A 97 -2.910 -7.585 8.765 1.00 53.41 O ATOM 1588 CB ARG A 97 -4.399 -10.079 7.817 1.00 34.23 C ATOM 1589 CG ARG A 97 -5.866 -9.798 8.251 1.00 42.34 C ATOM 1590 CD ARG A 97 -6.256 -10.518 9.546 1.00 53.11 C ATOM 1591 NE ARG A 97 -5.587 -9.927 10.710 1.00 13.03 N ATOM 1592 CZ ARG A 97 -5.507 -10.479 11.926 1.00 35.34 C ATOM 1593 NH1 ARG A 97 -6.043 -11.671 12.181 1.00 1.33 N ATOM 1594 NH2 ARG A 97 -4.913 -9.802 12.888 1.00 23.02 N ATOM 0 H ARG A 97 -2.064 -10.141 6.908 1.00 41.14 H new ATOM 0 HA ARG A 97 -4.405 -8.796 6.089 1.00 44.14 H new ATOM 0 HB2 ARG A 97 -4.369 -11.007 7.246 1.00 34.23 H new ATOM 0 HB3 ARG A 97 -3.788 -10.232 8.707 1.00 34.23 H new ATOM 0 HG2 ARG A 97 -6.000 -8.725 8.384 1.00 42.34 H new ATOM 0 HG3 ARG A 97 -6.541 -10.107 7.453 1.00 42.34 H new ATOM 0 HD2 ARG A 97 -7.336 -10.467 9.681 1.00 53.11 H new ATOM 0 HD3 ARG A 97 -5.993 -11.573 9.471 1.00 53.11 H new ATOM 0 HE ARG A 97 -5.145 -9.017 10.581 1.00 13.03 H new ATOM 0 HH11 ARG A 97 -6.526 -12.182 11.442 1.00 1.33 H new ATOM 0 HH12 ARG A 97 -5.970 -12.073 13.115 1.00 1.33 H new ATOM 0 HH21 ARG A 97 -4.526 -8.878 12.697 1.00 23.02 H new ATOM 0 HH22 ARG A 97 -4.840 -10.202 13.823 1.00 23.02 H new ATOM 1608 N ALA A 98 -4.558 -6.712 7.496 1.00 53.53 N ATOM 1609 CA ALA A 98 -4.738 -5.500 8.275 1.00 44.31 C ATOM 1610 C ALA A 98 -6.211 -5.144 8.213 1.00 54.32 C ATOM 1611 O ALA A 98 -6.703 -4.746 7.167 1.00 32.21 O ATOM 1612 CB ALA A 98 -3.852 -4.370 7.737 1.00 21.50 C ATOM 0 H ALA A 98 -5.148 -6.753 6.665 1.00 53.53 H new ATOM 0 HA ALA A 98 -4.437 -5.653 9.311 1.00 44.31 H new ATOM 0 HB1 ALA A 98 -4.004 -3.472 8.336 1.00 21.50 H new ATOM 0 HB2 ALA A 98 -2.806 -4.670 7.792 1.00 21.50 H new ATOM 0 HB3 ALA A 98 -4.116 -4.163 6.700 1.00 21.50 H new ATOM 1618 N GLN A 99 -6.916 -5.369 9.321 1.00 42.21 N ATOM 1619 CA GLN A 99 -8.362 -5.103 9.427 1.00 1.44 C ATOM 1620 C GLN A 99 -8.567 -3.716 10.027 1.00 13.11 C ATOM 1621 O GLN A 99 -9.190 -2.836 9.416 1.00 11.23 O ATOM 1622 CB GLN A 99 -9.039 -6.185 10.310 1.00 60.41 C ATOM 1623 CG GLN A 99 -8.702 -7.632 9.910 1.00 43.55 C ATOM 1624 CD GLN A 99 -9.176 -8.653 10.940 1.00 44.13 C ATOM 1625 OE1 GLN A 99 -10.277 -9.200 10.846 1.00 51.02 O ATOM 1626 NE2 GLN A 99 -8.361 -8.884 11.955 1.00 41.20 N ATOM 0 H GLN A 99 -6.505 -5.742 10.177 1.00 42.21 H new ATOM 0 HA GLN A 99 -8.818 -5.138 8.438 1.00 1.44 H new ATOM 0 HB2 GLN A 99 -8.742 -6.029 11.347 1.00 60.41 H new ATOM 0 HB3 GLN A 99 -10.120 -6.050 10.264 1.00 60.41 H new ATOM 0 HG2 GLN A 99 -9.160 -7.854 8.946 1.00 43.55 H new ATOM 0 HG3 GLN A 99 -7.624 -7.727 9.780 1.00 43.55 H new ATOM 0 HE21 GLN A 99 -7.457 -8.414 12.001 1.00 41.20 H new ATOM 0 HE22 GLN A 99 -8.636 -9.533 12.693 1.00 41.20 H new ATOM 1635 N ASP A 100 -7.990 -3.535 11.217 1.00 12.32 N ATOM 1636 CA ASP A 100 -8.093 -2.299 11.994 1.00 31.35 C ATOM 1637 C ASP A 100 -6.921 -1.378 11.616 1.00 13.11 C ATOM 1638 O ASP A 100 -5.871 -1.860 11.160 1.00 32.24 O ATOM 1639 CB ASP A 100 -8.073 -2.640 13.514 1.00 1.03 C ATOM 1640 CG ASP A 100 -8.398 -1.440 14.433 1.00 31.51 C ATOM 1641 OD1 ASP A 100 -9.589 -1.200 14.739 1.00 64.03 O ATOM 1642 OD2 ASP A 100 -7.468 -0.727 14.847 1.00 63.21 O ATOM 0 H ASP A 100 -7.430 -4.254 11.674 1.00 12.32 H new ATOM 0 HA ASP A 100 -9.029 -1.785 11.774 1.00 31.35 H new ATOM 0 HB2 ASP A 100 -8.792 -3.437 13.706 1.00 1.03 H new ATOM 0 HB3 ASP A 100 -7.089 -3.028 13.776 1.00 1.03 H new ATOM 1647 N LYS A 101 -7.117 -0.065 11.822 1.00 32.52 N ATOM 1648 CA LYS A 101 -6.115 0.976 11.513 1.00 20.25 C ATOM 1649 C LYS A 101 -4.784 0.760 12.260 1.00 12.33 C ATOM 1650 O LYS A 101 -3.739 1.183 11.759 1.00 43.03 O ATOM 1651 CB LYS A 101 -6.655 2.417 11.794 1.00 43.33 C ATOM 1652 CG LYS A 101 -6.967 2.758 13.282 1.00 63.34 C ATOM 1653 CD LYS A 101 -8.336 2.240 13.763 1.00 4.13 C ATOM 1654 CE LYS A 101 -8.581 2.487 15.261 1.00 4.15 C ATOM 1655 NZ LYS A 101 -9.765 1.731 15.752 1.00 21.03 N ATOM 0 H LYS A 101 -7.982 0.310 12.211 1.00 32.52 H new ATOM 0 HA LYS A 101 -5.919 0.882 10.445 1.00 20.25 H new ATOM 0 HB2 LYS A 101 -5.923 3.135 11.424 1.00 43.33 H new ATOM 0 HB3 LYS A 101 -7.565 2.561 11.212 1.00 43.33 H new ATOM 0 HG2 LYS A 101 -6.186 2.335 13.914 1.00 63.34 H new ATOM 0 HG3 LYS A 101 -6.931 3.840 13.413 1.00 63.34 H new ATOM 0 HD2 LYS A 101 -9.124 2.725 13.187 1.00 4.13 H new ATOM 0 HD3 LYS A 101 -8.405 1.171 13.561 1.00 4.13 H new ATOM 0 HE2 LYS A 101 -7.699 2.192 15.829 1.00 4.15 H new ATOM 0 HE3 LYS A 101 -8.730 3.553 15.435 1.00 4.15 H new ATOM 0 HZ1 LYS A 101 -9.775 1.739 16.792 1.00 21.03 H new ATOM 0 HZ2 LYS A 101 -10.634 2.176 15.393 1.00 21.03 H new ATOM 0 HZ3 LYS A 101 -9.714 0.749 15.414 1.00 21.03 H new ATOM 1669 N GLU A 102 -4.828 0.088 13.440 1.00 3.35 N ATOM 1670 CA GLU A 102 -3.613 -0.213 14.227 1.00 3.42 C ATOM 1671 C GLU A 102 -2.699 -1.169 13.435 1.00 53.24 C ATOM 1672 O GLU A 102 -1.506 -0.915 13.317 1.00 74.24 O ATOM 1673 CB GLU A 102 -3.947 -0.798 15.636 1.00 41.44 C ATOM 1674 CG GLU A 102 -4.636 -2.183 15.641 1.00 50.20 C ATOM 1675 CD GLU A 102 -4.879 -2.732 17.053 1.00 11.13 C ATOM 1676 OE1 GLU A 102 -5.927 -2.422 17.660 1.00 32.13 O ATOM 1677 OE2 GLU A 102 -4.014 -3.473 17.571 1.00 14.44 O ATOM 0 H GLU A 102 -5.692 -0.253 13.862 1.00 3.35 H new ATOM 0 HA GLU A 102 -3.087 0.726 14.398 1.00 3.42 H new ATOM 0 HB2 GLU A 102 -3.022 -0.871 16.208 1.00 41.44 H new ATOM 0 HB3 GLU A 102 -4.590 -0.091 16.160 1.00 41.44 H new ATOM 0 HG2 GLU A 102 -5.589 -2.109 15.118 1.00 50.20 H new ATOM 0 HG3 GLU A 102 -4.021 -2.890 15.084 1.00 50.20 H new ATOM 1684 N GLU A 103 -3.312 -2.225 12.846 1.00 73.54 N ATOM 1685 CA GLU A 103 -2.613 -3.235 12.023 1.00 21.34 C ATOM 1686 C GLU A 103 -1.970 -2.593 10.782 1.00 4.24 C ATOM 1687 O GLU A 103 -0.877 -2.995 10.363 1.00 11.31 O ATOM 1688 CB GLU A 103 -3.600 -4.354 11.581 1.00 44.53 C ATOM 1689 CG GLU A 103 -4.258 -5.146 12.728 1.00 4.43 C ATOM 1690 CD GLU A 103 -5.288 -6.184 12.228 1.00 40.50 C ATOM 1691 OE1 GLU A 103 -6.498 -6.040 12.512 1.00 24.24 O ATOM 1692 OE2 GLU A 103 -4.892 -7.137 11.522 1.00 54.22 O ATOM 0 H GLU A 103 -4.314 -2.398 12.931 1.00 73.54 H new ATOM 0 HA GLU A 103 -1.824 -3.672 12.635 1.00 21.34 H new ATOM 0 HB2 GLU A 103 -4.386 -3.903 10.976 1.00 44.53 H new ATOM 0 HB3 GLU A 103 -3.065 -5.054 10.939 1.00 44.53 H new ATOM 0 HG2 GLU A 103 -3.484 -5.657 13.301 1.00 4.43 H new ATOM 0 HG3 GLU A 103 -4.751 -4.450 13.407 1.00 4.43 H new ATOM 1699 N VAL A 104 -2.666 -1.585 10.217 1.00 35.31 N ATOM 1700 CA VAL A 104 -2.227 -0.895 9.000 1.00 42.41 C ATOM 1701 C VAL A 104 -0.985 -0.032 9.285 1.00 35.23 C ATOM 1702 O VAL A 104 0.070 -0.269 8.701 1.00 34.42 O ATOM 1703 CB VAL A 104 -3.360 0.001 8.377 1.00 64.11 C ATOM 1704 CG1 VAL A 104 -2.885 0.646 7.054 1.00 21.42 C ATOM 1705 CG2 VAL A 104 -4.663 -0.810 8.169 1.00 2.35 C ATOM 0 H VAL A 104 -3.545 -1.232 10.595 1.00 35.31 H new ATOM 0 HA VAL A 104 -1.978 -1.669 8.274 1.00 42.41 H new ATOM 0 HB VAL A 104 -3.581 0.803 9.081 1.00 64.11 H new ATOM 0 HG11 VAL A 104 -3.685 1.261 6.641 1.00 21.42 H new ATOM 0 HG12 VAL A 104 -2.011 1.268 7.246 1.00 21.42 H new ATOM 0 HG13 VAL A 104 -2.624 -0.136 6.341 1.00 21.42 H new ATOM 0 HG21 VAL A 104 -5.428 -0.165 7.737 1.00 2.35 H new ATOM 0 HG22 VAL A 104 -4.469 -1.644 7.495 1.00 2.35 H new ATOM 0 HG23 VAL A 104 -5.010 -1.193 9.129 1.00 2.35 H new ATOM 1715 N LYS A 105 -1.118 0.936 10.218 1.00 22.20 N ATOM 1716 CA LYS A 105 -0.056 1.933 10.492 1.00 20.31 C ATOM 1717 C LYS A 105 1.194 1.283 11.120 1.00 13.10 C ATOM 1718 O LYS A 105 2.321 1.749 10.891 1.00 63.33 O ATOM 1719 CB LYS A 105 -0.599 3.098 11.366 1.00 31.31 C ATOM 1720 CG LYS A 105 -1.095 2.704 12.772 1.00 31.23 C ATOM 1721 CD LYS A 105 -1.762 3.888 13.511 1.00 65.53 C ATOM 1722 CE LYS A 105 -2.350 3.476 14.869 1.00 40.24 C ATOM 1723 NZ LYS A 105 -2.946 4.633 15.585 1.00 33.22 N ATOM 0 H LYS A 105 -1.951 1.049 10.796 1.00 22.20 H new ATOM 0 HA LYS A 105 0.255 2.353 9.536 1.00 20.31 H new ATOM 0 HB2 LYS A 105 0.188 3.844 11.474 1.00 31.31 H new ATOM 0 HB3 LYS A 105 -1.420 3.576 10.832 1.00 31.31 H new ATOM 0 HG2 LYS A 105 -1.808 1.884 12.687 1.00 31.23 H new ATOM 0 HG3 LYS A 105 -0.255 2.337 13.362 1.00 31.23 H new ATOM 0 HD2 LYS A 105 -1.027 4.679 13.662 1.00 65.53 H new ATOM 0 HD3 LYS A 105 -2.553 4.303 12.887 1.00 65.53 H new ATOM 0 HE2 LYS A 105 -3.111 2.710 14.719 1.00 40.24 H new ATOM 0 HE3 LYS A 105 -1.568 3.031 15.484 1.00 40.24 H new ATOM 0 HZ1 LYS A 105 -3.132 4.371 16.574 1.00 33.22 H new ATOM 0 HZ2 LYS A 105 -2.285 5.436 15.558 1.00 33.22 H new ATOM 0 HZ3 LYS A 105 -3.839 4.903 15.125 1.00 33.22 H new ATOM 1737 N ASP A 106 0.970 0.223 11.925 1.00 74.21 N ATOM 1738 CA ASP A 106 2.029 -0.683 12.406 1.00 64.43 C ATOM 1739 C ASP A 106 2.820 -1.275 11.223 1.00 55.13 C ATOM 1740 O ASP A 106 4.045 -1.182 11.187 1.00 34.52 O ATOM 1741 CB ASP A 106 1.396 -1.818 13.262 1.00 74.44 C ATOM 1742 CG ASP A 106 2.398 -2.896 13.701 1.00 2.30 C ATOM 1743 OD1 ASP A 106 3.065 -2.723 14.741 1.00 74.34 O ATOM 1744 OD2 ASP A 106 2.525 -3.931 13.012 1.00 43.40 O ATOM 0 H ASP A 106 0.040 -0.028 12.261 1.00 74.21 H new ATOM 0 HA ASP A 106 2.725 -0.116 13.024 1.00 64.43 H new ATOM 0 HB2 ASP A 106 0.937 -1.379 14.148 1.00 74.44 H new ATOM 0 HB3 ASP A 106 0.597 -2.289 12.690 1.00 74.44 H new ATOM 1749 N ALA A 107 2.085 -1.848 10.247 1.00 63.53 N ATOM 1750 CA ALA A 107 2.680 -2.497 9.060 1.00 20.40 C ATOM 1751 C ALA A 107 3.356 -1.476 8.126 1.00 62.21 C ATOM 1752 O ALA A 107 4.285 -1.826 7.402 1.00 73.31 O ATOM 1753 CB ALA A 107 1.614 -3.298 8.305 1.00 44.14 C ATOM 0 H ALA A 107 1.065 -1.874 10.259 1.00 63.53 H new ATOM 0 HA ALA A 107 3.456 -3.179 9.408 1.00 20.40 H new ATOM 0 HB1 ALA A 107 2.065 -3.771 7.433 1.00 44.14 H new ATOM 0 HB2 ALA A 107 1.202 -4.064 8.961 1.00 44.14 H new ATOM 0 HB3 ALA A 107 0.816 -2.629 7.983 1.00 44.14 H new ATOM 1759 N VAL A 108 2.873 -0.222 8.139 1.00 75.20 N ATOM 1760 CA VAL A 108 3.495 0.882 7.391 1.00 23.02 C ATOM 1761 C VAL A 108 4.900 1.159 7.945 1.00 23.31 C ATOM 1762 O VAL A 108 5.885 1.039 7.212 1.00 31.20 O ATOM 1763 CB VAL A 108 2.604 2.184 7.423 1.00 4.44 C ATOM 1764 CG1 VAL A 108 3.338 3.413 6.817 1.00 41.11 C ATOM 1765 CG2 VAL A 108 1.264 1.923 6.692 1.00 65.31 C ATOM 0 H VAL A 108 2.044 0.053 8.666 1.00 75.20 H new ATOM 0 HA VAL A 108 3.580 0.582 6.346 1.00 23.02 H new ATOM 0 HB VAL A 108 2.401 2.424 8.467 1.00 4.44 H new ATOM 0 HG11 VAL A 108 2.685 4.285 6.861 1.00 41.11 H new ATOM 0 HG12 VAL A 108 4.247 3.611 7.386 1.00 41.11 H new ATOM 0 HG13 VAL A 108 3.598 3.206 5.779 1.00 41.11 H new ATOM 0 HG21 VAL A 108 0.654 2.826 6.718 1.00 65.31 H new ATOM 0 HG22 VAL A 108 1.462 1.648 5.656 1.00 65.31 H new ATOM 0 HG23 VAL A 108 0.732 1.111 7.187 1.00 65.31 H new ATOM 1775 N GLU A 109 4.970 1.455 9.260 1.00 71.54 N ATOM 1776 CA GLU A 109 6.241 1.731 9.970 1.00 12.32 C ATOM 1777 C GLU A 109 7.207 0.536 9.853 1.00 44.32 C ATOM 1778 O GLU A 109 8.420 0.710 9.699 1.00 45.03 O ATOM 1779 CB GLU A 109 5.971 2.028 11.466 1.00 21.42 C ATOM 1780 CG GLU A 109 7.222 2.447 12.263 1.00 61.40 C ATOM 1781 CD GLU A 109 7.007 2.444 13.783 1.00 14.31 C ATOM 1782 OE1 GLU A 109 7.333 1.429 14.439 1.00 1.55 O ATOM 1783 OE2 GLU A 109 6.524 3.455 14.328 1.00 15.33 O ATOM 0 H GLU A 109 4.148 1.510 9.861 1.00 71.54 H new ATOM 0 HA GLU A 109 6.700 2.603 9.505 1.00 12.32 H new ATOM 0 HB2 GLU A 109 5.226 2.820 11.539 1.00 21.42 H new ATOM 0 HB3 GLU A 109 5.539 1.141 11.929 1.00 21.42 H new ATOM 0 HG2 GLU A 109 8.042 1.772 12.018 1.00 61.40 H new ATOM 0 HG3 GLU A 109 7.526 3.445 11.949 1.00 61.40 H new ATOM 1790 N GLU A 110 6.619 -0.670 9.905 1.00 22.45 N ATOM 1791 CA GLU A 110 7.348 -1.940 9.833 1.00 25.21 C ATOM 1792 C GLU A 110 7.997 -2.115 8.438 1.00 32.33 C ATOM 1793 O GLU A 110 9.136 -2.562 8.329 1.00 34.33 O ATOM 1794 CB GLU A 110 6.373 -3.114 10.151 1.00 52.52 C ATOM 1795 CG GLU A 110 7.032 -4.500 10.314 1.00 64.13 C ATOM 1796 CD GLU A 110 7.948 -4.599 11.545 1.00 14.35 C ATOM 1797 OE1 GLU A 110 7.497 -5.094 12.605 1.00 12.53 O ATOM 1798 OE2 GLU A 110 9.120 -4.178 11.473 1.00 40.44 O ATOM 0 H GLU A 110 5.610 -0.788 10.000 1.00 22.45 H new ATOM 0 HA GLU A 110 8.150 -1.940 10.571 1.00 25.21 H new ATOM 0 HB2 GLU A 110 5.834 -2.877 11.068 1.00 52.52 H new ATOM 0 HB3 GLU A 110 5.633 -3.175 9.353 1.00 52.52 H new ATOM 0 HG2 GLU A 110 6.253 -5.258 10.388 1.00 64.13 H new ATOM 0 HG3 GLU A 110 7.612 -4.726 9.419 1.00 64.13 H new ATOM 1805 N PHE A 111 7.264 -1.704 7.385 1.00 40.42 N ATOM 1806 CA PHE A 111 7.726 -1.804 5.979 1.00 20.33 C ATOM 1807 C PHE A 111 8.826 -0.766 5.697 1.00 53.41 C ATOM 1808 O PHE A 111 9.706 -0.989 4.870 1.00 54.15 O ATOM 1809 CB PHE A 111 6.519 -1.603 5.020 1.00 0.04 C ATOM 1810 CG PHE A 111 6.754 -2.029 3.568 1.00 62.42 C ATOM 1811 CD1 PHE A 111 6.903 -3.376 3.238 1.00 4.43 C ATOM 1812 CD2 PHE A 111 6.793 -1.093 2.530 1.00 54.53 C ATOM 1813 CE1 PHE A 111 7.088 -3.767 1.926 1.00 44.31 C ATOM 1814 CE2 PHE A 111 6.984 -1.489 1.217 1.00 22.34 C ATOM 1815 CZ PHE A 111 7.128 -2.828 0.915 1.00 64.25 C ATOM 0 H PHE A 111 6.335 -1.293 7.481 1.00 40.42 H new ATOM 0 HA PHE A 111 8.150 -2.794 5.811 1.00 20.33 H new ATOM 0 HB2 PHE A 111 5.669 -2.162 5.411 1.00 0.04 H new ATOM 0 HB3 PHE A 111 6.240 -0.549 5.031 1.00 0.04 H new ATOM 0 HD1 PHE A 111 6.873 -4.123 4.018 1.00 4.43 H new ATOM 0 HD2 PHE A 111 6.672 -0.044 2.756 1.00 54.53 H new ATOM 0 HE1 PHE A 111 7.202 -4.815 1.690 1.00 44.31 H new ATOM 0 HE2 PHE A 111 7.020 -0.751 0.430 1.00 22.34 H new ATOM 0 HZ PHE A 111 7.272 -3.140 -0.109 1.00 64.25 H new ATOM 1825 N LEU A 112 8.749 0.369 6.408 1.00 22.35 N ATOM 1826 CA LEU A 112 9.730 1.465 6.311 1.00 34.52 C ATOM 1827 C LEU A 112 11.072 1.062 6.961 1.00 50.30 C ATOM 1828 O LEU A 112 12.137 1.217 6.353 1.00 15.51 O ATOM 1829 CB LEU A 112 9.147 2.738 6.984 1.00 54.21 C ATOM 1830 CG LEU A 112 7.836 3.297 6.337 1.00 22.21 C ATOM 1831 CD1 LEU A 112 7.179 4.368 7.222 1.00 10.53 C ATOM 1832 CD2 LEU A 112 8.089 3.829 4.911 1.00 41.34 C ATOM 0 H LEU A 112 7.998 0.555 7.073 1.00 22.35 H new ATOM 0 HA LEU A 112 9.926 1.676 5.260 1.00 34.52 H new ATOM 0 HB2 LEU A 112 8.949 2.516 8.033 1.00 54.21 H new ATOM 0 HB3 LEU A 112 9.906 3.520 6.962 1.00 54.21 H new ATOM 0 HG LEU A 112 7.137 2.464 6.258 1.00 22.21 H new ATOM 0 HD11 LEU A 112 6.272 4.732 6.740 1.00 10.53 H new ATOM 0 HD12 LEU A 112 6.927 3.935 8.190 1.00 10.53 H new ATOM 0 HD13 LEU A 112 7.872 5.197 7.365 1.00 10.53 H new ATOM 0 HD21 LEU A 112 7.156 4.209 4.494 1.00 41.34 H new ATOM 0 HD22 LEU A 112 8.824 4.633 4.948 1.00 41.34 H new ATOM 0 HD23 LEU A 112 8.465 3.022 4.283 1.00 41.34 H new ATOM 1844 N LYS A 113 10.995 0.512 8.187 1.00 64.44 N ATOM 1845 CA LYS A 113 12.182 0.125 8.987 1.00 3.30 C ATOM 1846 C LYS A 113 12.885 -1.122 8.408 1.00 11.13 C ATOM 1847 O LYS A 113 14.120 -1.201 8.421 1.00 50.10 O ATOM 1848 CB LYS A 113 11.775 -0.099 10.474 1.00 2.14 C ATOM 1849 CG LYS A 113 11.362 1.197 11.215 1.00 21.53 C ATOM 1850 CD LYS A 113 10.978 0.957 12.696 1.00 4.53 C ATOM 1851 CE LYS A 113 10.772 2.275 13.466 1.00 11.32 C ATOM 1852 NZ LYS A 113 10.303 2.045 14.861 1.00 45.14 N ATOM 0 H LYS A 113 10.109 0.321 8.655 1.00 64.44 H new ATOM 0 HA LYS A 113 12.901 0.943 8.940 1.00 3.30 H new ATOM 0 HB2 LYS A 113 10.947 -0.806 10.511 1.00 2.14 H new ATOM 0 HB3 LYS A 113 12.610 -0.558 11.004 1.00 2.14 H new ATOM 0 HG2 LYS A 113 12.184 1.911 11.171 1.00 21.53 H new ATOM 0 HG3 LYS A 113 10.518 1.651 10.696 1.00 21.53 H new ATOM 0 HD2 LYS A 113 10.064 0.366 12.741 1.00 4.53 H new ATOM 0 HD3 LYS A 113 11.760 0.373 13.182 1.00 4.53 H new ATOM 0 HE2 LYS A 113 11.709 2.832 13.487 1.00 11.32 H new ATOM 0 HE3 LYS A 113 10.046 2.893 12.938 1.00 11.32 H new ATOM 0 HZ1 LYS A 113 10.419 2.918 15.415 1.00 45.14 H new ATOM 0 HZ2 LYS A 113 9.299 1.774 14.849 1.00 45.14 H new ATOM 0 HZ3 LYS A 113 10.863 1.283 15.294 1.00 45.14 H new ATOM 1866 N GLU A 114 12.096 -2.080 7.893 1.00 3.04 N ATOM 1867 CA GLU A 114 12.627 -3.313 7.263 1.00 14.03 C ATOM 1868 C GLU A 114 12.951 -3.098 5.767 1.00 43.02 C ATOM 1869 O GLU A 114 13.618 -3.941 5.151 1.00 33.14 O ATOM 1870 CB GLU A 114 11.621 -4.484 7.443 1.00 14.54 C ATOM 1871 CG GLU A 114 11.340 -4.871 8.911 1.00 62.45 C ATOM 1872 CD GLU A 114 12.587 -5.375 9.659 1.00 64.22 C ATOM 1873 OE1 GLU A 114 12.924 -6.575 9.527 1.00 10.01 O ATOM 1874 OE2 GLU A 114 13.240 -4.584 10.379 1.00 35.24 O ATOM 0 H GLU A 114 11.077 -2.028 7.899 1.00 3.04 H new ATOM 0 HA GLU A 114 13.561 -3.568 7.764 1.00 14.03 H new ATOM 0 HB2 GLU A 114 10.679 -4.213 6.966 1.00 14.54 H new ATOM 0 HB3 GLU A 114 12.004 -5.359 6.918 1.00 14.54 H new ATOM 0 HG2 GLU A 114 10.935 -4.006 9.436 1.00 62.45 H new ATOM 0 HG3 GLU A 114 10.573 -5.645 8.935 1.00 62.45 H new ATOM 1881 N GLY A 115 12.454 -1.985 5.183 1.00 23.01 N ATOM 1882 CA GLY A 115 12.730 -1.627 3.782 1.00 25.40 C ATOM 1883 C GLY A 115 11.721 -2.246 2.815 1.00 5.21 C ATOM 1884 O GLY A 115 11.054 -1.539 2.049 1.00 1.42 O ATOM 0 H GLY A 115 11.855 -1.317 5.669 1.00 23.01 H new ATOM 0 HA2 GLY A 115 12.713 -0.542 3.676 1.00 25.40 H new ATOM 0 HA3 GLY A 115 13.734 -1.957 3.516 1.00 25.40 H new ATOM 1888 N GLY A 116 11.611 -3.579 2.866 1.00 23.11 N ATOM 1889 CA GLY A 116 10.680 -4.328 2.031 1.00 4.32 C ATOM 1890 C GLY A 116 10.332 -5.670 2.644 1.00 60.52 C ATOM 1891 O GLY A 116 10.467 -6.702 1.989 1.00 23.34 O ATOM 0 H GLY A 116 12.168 -4.164 3.489 1.00 23.11 H new ATOM 0 HA2 GLY A 116 9.770 -3.746 1.889 1.00 4.32 H new ATOM 0 HA3 GLY A 116 11.118 -4.481 1.045 1.00 4.32 H new ATOM 1895 N SER A 117 9.895 -5.648 3.922 1.00 61.42 N ATOM 1896 CA SER A 117 9.484 -6.853 4.686 1.00 73.31 C ATOM 1897 C SER A 117 8.585 -6.446 5.865 1.00 75.42 C ATOM 1898 O SER A 117 8.610 -5.285 6.290 1.00 44.22 O ATOM 1899 CB SER A 117 10.726 -7.627 5.216 1.00 13.30 C ATOM 1900 OG SER A 117 11.509 -8.151 4.153 1.00 72.31 O ATOM 0 H SER A 117 9.816 -4.785 4.461 1.00 61.42 H new ATOM 0 HA SER A 117 8.929 -7.509 4.015 1.00 73.31 H new ATOM 0 HB2 SER A 117 11.338 -6.961 5.825 1.00 13.30 H new ATOM 0 HB3 SER A 117 10.399 -8.441 5.863 1.00 13.30 H new ATOM 0 HG SER A 117 11.417 -9.126 4.129 1.00 72.31 H new ATOM 1906 N LEU A 118 7.786 -7.409 6.380 1.00 2.01 N ATOM 1907 CA LEU A 118 6.946 -7.214 7.585 1.00 74.11 C ATOM 1908 C LEU A 118 7.167 -8.358 8.571 1.00 63.44 C ATOM 1909 O LEU A 118 7.595 -8.145 9.716 1.00 2.41 O ATOM 1910 CB LEU A 118 5.433 -7.157 7.246 1.00 23.44 C ATOM 1911 CG LEU A 118 4.951 -5.981 6.361 1.00 0.21 C ATOM 1912 CD1 LEU A 118 3.424 -5.973 6.279 1.00 74.10 C ATOM 1913 CD2 LEU A 118 5.472 -4.632 6.873 1.00 33.32 C ATOM 0 H LEU A 118 7.705 -8.341 5.973 1.00 2.01 H new ATOM 0 HA LEU A 118 7.244 -6.260 8.021 1.00 74.11 H new ATOM 0 HB2 LEU A 118 5.163 -8.088 6.748 1.00 23.44 H new ATOM 0 HB3 LEU A 118 4.878 -7.125 8.183 1.00 23.44 H new ATOM 0 HG LEU A 118 5.359 -6.128 5.361 1.00 0.21 H new ATOM 0 HD11 LEU A 118 3.098 -5.142 5.654 1.00 74.10 H new ATOM 0 HD12 LEU A 118 3.078 -6.911 5.845 1.00 74.10 H new ATOM 0 HD13 LEU A 118 3.006 -5.861 7.280 1.00 74.10 H new ATOM 0 HD21 LEU A 118 5.112 -3.833 6.225 1.00 33.32 H new ATOM 0 HD22 LEU A 118 5.113 -4.465 7.889 1.00 33.32 H new ATOM 0 HD23 LEU A 118 6.562 -4.638 6.870 1.00 33.32 H new ATOM 1925 N GLU A 119 6.819 -9.568 8.102 1.00 4.42 N ATOM 1926 CA GLU A 119 6.870 -10.798 8.886 1.00 65.42 C ATOM 1927 C GLU A 119 8.317 -11.103 9.327 1.00 31.22 C ATOM 1928 O GLU A 119 9.168 -11.464 8.510 1.00 22.22 O ATOM 1929 CB GLU A 119 6.225 -11.993 8.106 1.00 55.21 C ATOM 1930 CG GLU A 119 6.838 -12.354 6.723 1.00 40.51 C ATOM 1931 CD GLU A 119 6.386 -11.449 5.552 1.00 74.44 C ATOM 1932 OE1 GLU A 119 7.046 -10.416 5.263 1.00 55.25 O ATOM 1933 OE2 GLU A 119 5.374 -11.785 4.895 1.00 24.42 O ATOM 0 H GLU A 119 6.489 -9.714 7.148 1.00 4.42 H new ATOM 0 HA GLU A 119 6.278 -10.656 9.790 1.00 65.42 H new ATOM 0 HB2 GLU A 119 6.278 -12.878 8.740 1.00 55.21 H new ATOM 0 HB3 GLU A 119 5.168 -11.769 7.959 1.00 55.21 H new ATOM 0 HG2 GLU A 119 7.924 -12.307 6.800 1.00 40.51 H new ATOM 0 HG3 GLU A 119 6.579 -13.386 6.486 1.00 40.51 H new ATOM 1940 N HIS A 120 8.585 -10.902 10.633 1.00 45.45 N ATOM 1941 CA HIS A 120 9.917 -11.107 11.234 1.00 13.31 C ATOM 1942 C HIS A 120 10.233 -12.606 11.322 1.00 41.22 C ATOM 1943 O HIS A 120 9.980 -13.259 12.340 1.00 12.24 O ATOM 1944 CB HIS A 120 10.029 -10.413 12.625 1.00 12.24 C ATOM 1945 CG HIS A 120 10.336 -8.941 12.560 1.00 15.43 C ATOM 1946 ND1 HIS A 120 11.588 -8.429 12.840 1.00 21.44 N ATOM 1947 CD2 HIS A 120 9.570 -7.876 12.235 1.00 54.03 C ATOM 1948 CE1 HIS A 120 11.568 -7.120 12.710 1.00 60.22 C ATOM 1949 NE2 HIS A 120 10.361 -6.762 12.340 1.00 45.13 N ATOM 0 H HIS A 120 7.881 -10.592 11.302 1.00 45.45 H new ATOM 0 HA HIS A 120 10.661 -10.640 10.588 1.00 13.31 H new ATOM 0 HB2 HIS A 120 9.092 -10.553 13.164 1.00 12.24 H new ATOM 0 HB3 HIS A 120 10.808 -10.909 13.204 1.00 12.24 H new ATOM 0 HD2 HIS A 120 8.529 -7.899 11.947 1.00 54.03 H new ATOM 0 HE1 HIS A 120 12.402 -6.454 12.879 1.00 60.22 H new ATOM 0 HE2 HIS A 120 10.059 -5.805 12.159 1.00 45.13 H new ATOM 1958 N HIS A 121 10.699 -13.149 10.192 1.00 25.03 N ATOM 1959 CA HIS A 121 11.151 -14.538 10.061 1.00 13.54 C ATOM 1960 C HIS A 121 12.597 -14.494 9.547 1.00 1.11 C ATOM 1961 O HIS A 121 13.531 -14.791 10.297 1.00 14.01 O ATOM 1962 CB HIS A 121 10.222 -15.339 9.100 1.00 62.42 C ATOM 1963 CG HIS A 121 8.808 -15.551 9.598 1.00 73.20 C ATOM 1964 ND1 HIS A 121 8.217 -16.795 9.698 1.00 62.00 N ATOM 1965 CD2 HIS A 121 7.850 -14.671 9.985 1.00 51.33 C ATOM 1966 CE1 HIS A 121 6.974 -16.663 10.119 1.00 33.45 C ATOM 1967 NE2 HIS A 121 6.730 -15.386 10.302 1.00 30.45 N ATOM 0 H HIS A 121 10.774 -12.622 9.322 1.00 25.03 H new ATOM 0 HA HIS A 121 11.109 -15.052 11.021 1.00 13.54 H new ATOM 0 HB2 HIS A 121 10.179 -14.818 8.144 1.00 62.42 H new ATOM 0 HB3 HIS A 121 10.674 -16.313 8.912 1.00 62.42 H new ATOM 0 HD2 HIS A 121 7.954 -13.597 10.034 1.00 51.33 H new ATOM 0 HE1 HIS A 121 6.275 -17.469 10.285 1.00 33.45 H new ATOM 0 HE2 HIS A 121 5.848 -14.992 10.628 1.00 30.45 H new ATOM 1976 N HIS A 122 12.768 -14.050 8.277 1.00 23.11 N ATOM 1977 CA HIS A 122 14.095 -13.860 7.630 1.00 22.21 C ATOM 1978 C HIS A 122 13.989 -12.858 6.463 1.00 53.32 C ATOM 1979 O HIS A 122 14.809 -11.940 6.343 1.00 53.44 O ATOM 1980 CB HIS A 122 14.702 -15.203 7.119 1.00 24.42 C ATOM 1981 CG HIS A 122 15.308 -16.054 8.205 1.00 60.13 C ATOM 1982 ND1 HIS A 122 14.786 -17.266 8.604 1.00 14.10 N ATOM 1983 CD2 HIS A 122 16.397 -15.848 8.986 1.00 60.03 C ATOM 1984 CE1 HIS A 122 15.511 -17.754 9.585 1.00 21.31 C ATOM 1985 NE2 HIS A 122 16.499 -16.919 9.829 1.00 54.40 N ATOM 0 H HIS A 122 11.986 -13.812 7.667 1.00 23.11 H new ATOM 0 HA HIS A 122 14.765 -13.463 8.392 1.00 22.21 H new ATOM 0 HB2 HIS A 122 13.922 -15.775 6.616 1.00 24.42 H new ATOM 0 HB3 HIS A 122 15.467 -14.984 6.374 1.00 24.42 H new ATOM 0 HD2 HIS A 122 17.060 -14.996 8.949 1.00 60.03 H new ATOM 0 HE1 HIS A 122 15.327 -18.683 10.104 1.00 21.31 H new ATOM 0 HE2 HIS A 122 17.224 -17.050 10.534 1.00 54.40 H new ATOM 1994 N HIS A 123 12.985 -13.063 5.589 1.00 65.12 N ATOM 1995 CA HIS A 123 12.718 -12.186 4.423 1.00 14.34 C ATOM 1996 C HIS A 123 11.196 -11.947 4.285 1.00 25.03 C ATOM 1997 O HIS A 123 10.686 -10.904 4.705 1.00 51.33 O ATOM 1998 CB HIS A 123 13.295 -12.792 3.105 1.00 12.32 C ATOM 1999 CG HIS A 123 14.798 -12.908 3.027 1.00 71.51 C ATOM 2000 ND1 HIS A 123 15.612 -11.891 2.569 1.00 40.32 N ATOM 2001 CD2 HIS A 123 15.633 -13.935 3.331 1.00 53.32 C ATOM 2002 CE1 HIS A 123 16.864 -12.294 2.574 1.00 10.40 C ATOM 2003 NE2 HIS A 123 16.906 -13.529 3.035 1.00 34.24 N ATOM 0 H HIS A 123 12.332 -13.843 5.668 1.00 65.12 H new ATOM 0 HA HIS A 123 13.220 -11.233 4.593 1.00 14.34 H new ATOM 0 HB2 HIS A 123 12.867 -13.785 2.969 1.00 12.32 H new ATOM 0 HB3 HIS A 123 12.955 -12.181 2.269 1.00 12.32 H new ATOM 0 HD2 HIS A 123 15.345 -14.895 3.732 1.00 53.32 H new ATOM 0 HE1 HIS A 123 17.715 -11.711 2.254 1.00 10.40 H new ATOM 0 HE2 HIS A 123 17.750 -14.090 3.152 1.00 34.24 H new ATOM 2012 N HIS A 124 10.474 -12.948 3.743 1.00 5.12 N ATOM 2013 CA HIS A 124 9.044 -12.825 3.388 1.00 70.33 C ATOM 2014 C HIS A 124 8.418 -14.215 3.215 1.00 44.42 C ATOM 2015 O HIS A 124 9.113 -15.165 2.834 1.00 44.31 O ATOM 2016 CB HIS A 124 8.893 -11.993 2.075 1.00 65.23 C ATOM 2017 CG HIS A 124 7.491 -11.904 1.518 1.00 2.42 C ATOM 2018 ND1 HIS A 124 6.442 -11.345 2.207 1.00 73.24 N ATOM 2019 CD2 HIS A 124 6.967 -12.332 0.336 1.00 5.11 C ATOM 2020 CE1 HIS A 124 5.340 -11.443 1.492 1.00 53.32 C ATOM 2021 NE2 HIS A 124 5.632 -12.036 0.350 1.00 14.25 N ATOM 0 H HIS A 124 10.866 -13.867 3.538 1.00 5.12 H new ATOM 0 HA HIS A 124 8.522 -12.309 4.194 1.00 70.33 H new ATOM 0 HB2 HIS A 124 9.255 -10.982 2.262 1.00 65.23 H new ATOM 0 HB3 HIS A 124 9.541 -12.428 1.314 1.00 65.23 H new ATOM 0 HD2 HIS A 124 7.506 -12.816 -0.465 1.00 5.11 H new ATOM 0 HE1 HIS A 124 4.362 -11.096 1.790 1.00 53.32 H new ATOM 0 HE2 HIS A 124 4.971 -12.240 -0.399 1.00 14.25 H new ATOM 2030 N HIS A 125 7.111 -14.342 3.522 1.00 52.41 N ATOM 2031 CA HIS A 125 6.322 -15.542 3.210 1.00 4.14 C ATOM 2032 C HIS A 125 5.576 -15.297 1.878 1.00 11.13 C ATOM 2033 O HIS A 125 6.094 -15.708 0.818 1.00 52.24 O ATOM 2034 CB HIS A 125 5.346 -15.892 4.373 1.00 71.04 C ATOM 2035 CG HIS A 125 4.563 -17.175 4.171 1.00 53.14 C ATOM 2036 ND1 HIS A 125 4.984 -18.396 4.655 1.00 35.11 N ATOM 2037 CD2 HIS A 125 3.371 -17.422 3.560 1.00 70.03 C ATOM 2038 CE1 HIS A 125 4.093 -19.321 4.361 1.00 30.42 C ATOM 2039 NE2 HIS A 125 3.105 -18.759 3.696 1.00 21.21 N ATOM 2040 OXT HIS A 125 4.507 -14.650 1.888 1.00 37.60 O ATOM 0 H HIS A 125 6.576 -13.613 3.994 1.00 52.41 H new ATOM 0 HA HIS A 125 6.979 -16.404 3.098 1.00 4.14 H new ATOM 0 HB2 HIS A 125 5.917 -15.971 5.298 1.00 71.04 H new ATOM 0 HB3 HIS A 125 4.643 -15.069 4.501 1.00 71.04 H new ATOM 0 HD2 HIS A 125 2.748 -16.695 3.059 1.00 70.03 H new ATOM 0 HE1 HIS A 125 4.162 -20.367 4.622 1.00 30.42 H new ATOM 0 HE2 HIS A 125 2.278 -19.240 3.341 1.00 21.21 H new TER 2049 HIS A 125