USER MOD reduce.3.24.130724 H: found=0, std=0, add=963, rem=0, adj=36 USER MOD reduce.3.24.130724 removed 963 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 92 GLN :FLIP amide:sc= -0.335 F(o=-1.1,f=-0.51) USER MOD Set 1.2: A 93 SER OG : rot 140:sc= -0.18 USER MOD Set 2.1: A 21 THR OG1 : rot -100:sc= 1.08 USER MOD Set 2.2: A 47 LYS NZ :NH3+ -142:sc= 1.33 (180deg=0) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -170:sc= 0 (180deg=-0.0704) USER MOD Single : A 4 LYS NZ :NH3+ -122:sc= 1.22 (180deg=0.0598) USER MOD Single : A 11 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.104) USER MOD Single : A 14 CYS SG : rot 42:sc= -0.268 USER MOD Single : A 16 ASN : amide:sc= -0.259 X(o=-0.26,f=-0.4) USER MOD Single : A 19 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.00159) USER MOD Single : A 22 THR OG1 : rot 110:sc= -0.007 USER MOD Single : A 23 TYR OH : rot 180:sc= -0.865 USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 29 LYS NZ :NH3+ -159:sc= 0.867 (180deg=0.492) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 LYS NZ :NH3+ -175:sc=-0.00495 (180deg=-0.0697) USER MOD Single : A 39 LYS NZ :NH3+ 160:sc= -1.63! (180deg=-1.8!) USER MOD Single : A 43 LYS NZ :NH3+ -145:sc= 0.944 (180deg=0.701) USER MOD Single : A 49 LYS NZ :NH3+ -146:sc= 0.518 (180deg=0.0999) USER MOD Single : A 50 LYS NZ :NH3+ -174:sc= 0.286 (180deg=0.277) USER MOD Single : A 51 GLN : amide:sc= 0 X(o=0,f=-0.19) USER MOD Single : A 53 CYS SG : rot 40:sc= -2.52 USER MOD Single : A 54 LYS NZ :NH3+ -134:sc= -0.778 (180deg=-3.01!) USER MOD Single : A 57 LYS NZ :NH3+ 137:sc= 0.815 (180deg=-0.00406) USER MOD Single : A 62 LYS NZ :NH3+ 167:sc= -0.727 (180deg=-1.28) USER MOD Single : A 63 LYS NZ :NH3+ 169:sc= -0.0178 (180deg=-0.183) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 LYS NZ :NH3+ -122:sc= -0.268 (180deg=-1.71!) USER MOD Single : A 74 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.00876) USER MOD Single : A 75 LYS NZ :NH3+ -119:sc= 0.237 (180deg=-1.01) USER MOD Single : A 82 ASN : amide:sc= 0.703 K(o=0.7,f=-0.12) USER MOD Single : A 83 LYS NZ :NH3+ -176:sc= -0.0146 (180deg=-0.0381) USER MOD Single : A 86 ASN : amide:sc= 0.385 X(o=0.39,f=0) USER MOD Single : A 91 LYS NZ :NH3+ -149:sc= 0.817 (180deg=-0.147) USER MOD Single : A 94 THR OG1 : rot 180:sc= 0 USER MOD Single : A 95 THR OG1 : rot 28:sc= 0.429 USER MOD Single : A 96 THR OG1 : rot 180:sc= 0 USER MOD Single : A 97 THR OG1 : rot 180:sc= 0 USER MOD Single : A 101 THR OG1 : rot 180:sc= 0 USER MOD Single : A 112 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 113 HIS : no HD1:sc= -0.192 K(o=-0.19,f=-0.88) USER MOD Single : A 114 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 115 HIS : no HD1:sc= -0.0425 K(o=-0.042,f=-2.4!) USER MOD Single : A 116 HIS : no HE2:sc= 0.0734 K(o=0.073,f=-0.98) USER MOD Single : A 117 HIS : no HE2:sc= 0.0545 K(o=0.054,f=-1.5) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 9.800 -24.198 -1.227 1.00 3.24 N ATOM 2 CA MET A 1 9.105 -24.434 0.064 1.00 60.43 C ATOM 3 C MET A 1 7.702 -23.807 0.024 1.00 44.43 C ATOM 4 O MET A 1 6.707 -24.475 0.338 1.00 54.40 O ATOM 5 CB MET A 1 9.943 -23.882 1.249 1.00 2.11 C ATOM 6 CG MET A 1 11.350 -24.488 1.330 1.00 41.41 C ATOM 7 SD MET A 1 11.310 -26.296 1.337 1.00 14.04 S ATOM 8 CE MET A 1 13.054 -26.711 1.293 1.00 41.23 C ATOM 0 H1 MET A 1 10.673 -24.763 -1.260 1.00 3.24 H new ATOM 0 H2 MET A 1 9.178 -24.476 -2.012 1.00 3.24 H new ATOM 0 H3 MET A 1 10.037 -23.189 -1.314 1.00 3.24 H new ATOM 0 HA MET A 1 8.994 -25.507 0.218 1.00 60.43 H new ATOM 0 HB2 MET A 1 10.026 -22.799 1.153 1.00 2.11 H new ATOM 0 HB3 MET A 1 9.415 -24.080 2.182 1.00 2.11 H new ATOM 0 HG2 MET A 1 11.943 -24.142 0.483 1.00 41.41 H new ATOM 0 HG3 MET A 1 11.846 -24.133 2.233 1.00 41.41 H new ATOM 0 HE1 MET A 1 13.170 -27.795 1.294 1.00 41.23 H new ATOM 0 HE2 MET A 1 13.504 -26.298 0.390 1.00 41.23 H new ATOM 0 HE3 MET A 1 13.550 -26.293 2.169 1.00 41.23 H new ATOM 20 N ALA A 2 7.638 -22.511 -0.357 1.00 34.55 N ATOM 21 CA ALA A 2 6.364 -21.811 -0.617 1.00 40.52 C ATOM 22 C ALA A 2 5.757 -22.317 -1.933 1.00 52.33 C ATOM 23 O ALA A 2 6.356 -22.124 -3.001 1.00 41.00 O ATOM 24 CB ALA A 2 6.588 -20.288 -0.681 1.00 41.03 C ATOM 0 H ALA A 2 8.463 -21.926 -0.492 1.00 34.55 H new ATOM 0 HA ALA A 2 5.672 -22.020 0.199 1.00 40.52 H new ATOM 0 HB1 ALA A 2 5.639 -19.788 -0.873 1.00 41.03 H new ATOM 0 HB2 ALA A 2 6.995 -19.940 0.268 1.00 41.03 H new ATOM 0 HB3 ALA A 2 7.289 -20.057 -1.483 1.00 41.03 H new ATOM 30 N GLY A 3 4.585 -22.984 -1.842 1.00 30.15 N ATOM 31 CA GLY A 3 3.891 -23.534 -3.015 1.00 4.43 C ATOM 32 C GLY A 3 3.521 -22.469 -4.037 1.00 54.10 C ATOM 33 O GLY A 3 3.554 -22.716 -5.249 1.00 10.02 O ATOM 0 H GLY A 3 4.102 -23.152 -0.960 1.00 30.15 H new ATOM 0 HA2 GLY A 3 4.527 -24.281 -3.490 1.00 4.43 H new ATOM 0 HA3 GLY A 3 2.986 -24.047 -2.688 1.00 4.43 H new ATOM 37 N LYS A 4 3.186 -21.274 -3.530 1.00 21.00 N ATOM 38 CA LYS A 4 2.902 -20.095 -4.350 1.00 41.45 C ATOM 39 C LYS A 4 3.389 -18.833 -3.621 1.00 54.13 C ATOM 40 O LYS A 4 3.044 -18.613 -2.453 1.00 23.30 O ATOM 41 CB LYS A 4 1.382 -20.001 -4.670 1.00 52.34 C ATOM 42 CG LYS A 4 0.992 -18.853 -5.635 1.00 24.34 C ATOM 43 CD LYS A 4 1.781 -18.907 -6.974 1.00 33.31 C ATOM 44 CE LYS A 4 1.109 -18.110 -8.096 1.00 2.14 C ATOM 45 NZ LYS A 4 -0.208 -18.704 -8.452 1.00 12.31 N ATOM 0 H LYS A 4 3.105 -21.100 -2.528 1.00 21.00 H new ATOM 0 HA LYS A 4 3.434 -20.182 -5.297 1.00 41.45 H new ATOM 0 HB2 LYS A 4 1.057 -20.947 -5.103 1.00 52.34 H new ATOM 0 HB3 LYS A 4 0.835 -19.873 -3.736 1.00 52.34 H new ATOM 0 HG2 LYS A 4 -0.076 -18.906 -5.844 1.00 24.34 H new ATOM 0 HG3 LYS A 4 1.175 -17.895 -5.148 1.00 24.34 H new ATOM 0 HD2 LYS A 4 2.787 -18.520 -6.813 1.00 33.31 H new ATOM 0 HD3 LYS A 4 1.886 -19.946 -7.286 1.00 33.31 H new ATOM 0 HE2 LYS A 4 0.973 -17.075 -7.782 1.00 2.14 H new ATOM 0 HE3 LYS A 4 1.755 -18.094 -8.974 1.00 2.14 H new ATOM 0 HZ1 LYS A 4 -0.213 -18.958 -9.461 1.00 12.31 H new ATOM 0 HZ2 LYS A 4 -0.370 -19.557 -7.879 1.00 12.31 H new ATOM 0 HZ3 LYS A 4 -0.962 -18.013 -8.265 1.00 12.31 H new ATOM 59 N GLU A 5 4.204 -18.026 -4.316 1.00 24.44 N ATOM 60 CA GLU A 5 4.661 -16.721 -3.826 1.00 5.50 C ATOM 61 C GLU A 5 3.774 -15.628 -4.441 1.00 10.52 C ATOM 62 O GLU A 5 3.810 -15.392 -5.661 1.00 53.15 O ATOM 63 CB GLU A 5 6.148 -16.495 -4.183 1.00 2.21 C ATOM 64 CG GLU A 5 7.102 -17.562 -3.602 1.00 32.51 C ATOM 65 CD GLU A 5 8.575 -17.250 -3.874 1.00 42.21 C ATOM 66 OE1 GLU A 5 9.000 -17.354 -5.041 1.00 42.13 O ATOM 67 OE2 GLU A 5 9.314 -16.891 -2.929 1.00 15.12 O ATOM 0 H GLU A 5 4.566 -18.264 -5.240 1.00 24.44 H new ATOM 0 HA GLU A 5 4.579 -16.685 -2.740 1.00 5.50 H new ATOM 0 HB2 GLU A 5 6.253 -16.481 -5.268 1.00 2.21 H new ATOM 0 HB3 GLU A 5 6.453 -15.513 -3.820 1.00 2.21 H new ATOM 0 HG2 GLU A 5 6.944 -17.637 -2.526 1.00 32.51 H new ATOM 0 HG3 GLU A 5 6.856 -18.534 -4.029 1.00 32.51 H new ATOM 74 N LEU A 6 2.950 -15.006 -3.595 1.00 55.34 N ATOM 75 CA LEU A 6 1.999 -13.967 -3.992 1.00 5.41 C ATOM 76 C LEU A 6 2.776 -12.646 -4.139 1.00 2.12 C ATOM 77 O LEU A 6 3.143 -12.013 -3.140 1.00 41.13 O ATOM 78 CB LEU A 6 0.849 -13.847 -2.942 1.00 74.25 C ATOM 79 CG LEU A 6 -0.187 -15.040 -2.841 1.00 23.54 C ATOM 80 CD1 LEU A 6 0.469 -16.413 -2.608 1.00 1.21 C ATOM 81 CD2 LEU A 6 -1.232 -14.759 -1.744 1.00 51.34 C ATOM 0 H LEU A 6 2.925 -15.215 -2.597 1.00 55.34 H new ATOM 0 HA LEU A 6 1.530 -14.219 -4.943 1.00 5.41 H new ATOM 0 HB2 LEU A 6 1.304 -13.715 -1.960 1.00 74.25 H new ATOM 0 HB3 LEU A 6 0.291 -12.936 -3.159 1.00 74.25 H new ATOM 0 HG LEU A 6 -0.676 -15.093 -3.813 1.00 23.54 H new ATOM 0 HD11 LEU A 6 -0.303 -17.180 -2.550 1.00 1.21 H new ATOM 0 HD12 LEU A 6 1.143 -16.639 -3.434 1.00 1.21 H new ATOM 0 HD13 LEU A 6 1.032 -16.394 -1.675 1.00 1.21 H new ATOM 0 HD21 LEU A 6 -1.935 -15.590 -1.690 1.00 51.34 H new ATOM 0 HD22 LEU A 6 -0.730 -14.646 -0.783 1.00 51.34 H new ATOM 0 HD23 LEU A 6 -1.772 -13.842 -1.982 1.00 51.34 H new ATOM 93 N ARG A 7 3.042 -12.253 -5.398 1.00 75.12 N ATOM 94 CA ARG A 7 3.891 -11.095 -5.725 1.00 70.01 C ATOM 95 C ARG A 7 3.121 -9.794 -5.472 1.00 40.13 C ATOM 96 O ARG A 7 2.005 -9.633 -5.950 1.00 3.01 O ATOM 97 CB ARG A 7 4.318 -11.144 -7.212 1.00 33.11 C ATOM 98 CG ARG A 7 5.136 -12.384 -7.646 1.00 74.21 C ATOM 99 CD ARG A 7 5.321 -12.453 -9.182 1.00 1.40 C ATOM 100 NE ARG A 7 5.776 -11.159 -9.743 1.00 40.43 N ATOM 101 CZ ARG A 7 5.164 -10.481 -10.742 1.00 60.42 C ATOM 102 NH1 ARG A 7 4.060 -10.952 -11.323 1.00 32.22 N ATOM 103 NH2 ARG A 7 5.638 -9.306 -11.132 1.00 2.21 N ATOM 0 H ARG A 7 2.672 -12.732 -6.219 1.00 75.12 H new ATOM 0 HA ARG A 7 4.778 -11.129 -5.092 1.00 70.01 H new ATOM 0 HB2 ARG A 7 3.420 -11.092 -7.828 1.00 33.11 H new ATOM 0 HB3 ARG A 7 4.906 -10.252 -7.430 1.00 33.11 H new ATOM 0 HG2 ARG A 7 6.114 -12.359 -7.165 1.00 74.21 H new ATOM 0 HG3 ARG A 7 4.634 -13.288 -7.301 1.00 74.21 H new ATOM 0 HD2 ARG A 7 6.046 -13.229 -9.426 1.00 1.40 H new ATOM 0 HD3 ARG A 7 4.379 -12.740 -9.649 1.00 1.40 H new ATOM 0 HE ARG A 7 6.619 -10.746 -9.344 1.00 40.43 H new ATOM 0 HH11 ARG A 7 3.661 -11.839 -11.016 1.00 32.22 H new ATOM 0 HH12 ARG A 7 3.615 -10.425 -12.074 1.00 32.22 H new ATOM 0 HH21 ARG A 7 6.463 -8.913 -10.679 1.00 2.21 H new ATOM 0 HH22 ARG A 7 5.177 -8.795 -11.885 1.00 2.21 H new ATOM 117 N VAL A 8 3.721 -8.881 -4.707 1.00 12.41 N ATOM 118 CA VAL A 8 3.123 -7.581 -4.369 1.00 3.31 C ATOM 119 C VAL A 8 4.070 -6.475 -4.830 1.00 31.30 C ATOM 120 O VAL A 8 5.163 -6.329 -4.275 1.00 14.21 O ATOM 121 CB VAL A 8 2.875 -7.417 -2.822 1.00 63.32 C ATOM 122 CG1 VAL A 8 1.900 -6.261 -2.536 1.00 4.35 C ATOM 123 CG2 VAL A 8 2.413 -8.733 -2.173 1.00 21.05 C ATOM 0 H VAL A 8 4.645 -9.021 -4.299 1.00 12.41 H new ATOM 0 HA VAL A 8 2.157 -7.519 -4.870 1.00 3.31 H new ATOM 0 HB VAL A 8 3.829 -7.161 -2.362 1.00 63.32 H new ATOM 0 HG11 VAL A 8 1.748 -6.171 -1.460 1.00 4.35 H new ATOM 0 HG12 VAL A 8 2.316 -5.330 -2.923 1.00 4.35 H new ATOM 0 HG13 VAL A 8 0.945 -6.462 -3.022 1.00 4.35 H new ATOM 0 HG21 VAL A 8 2.253 -8.576 -1.106 1.00 21.05 H new ATOM 0 HG22 VAL A 8 1.481 -9.059 -2.635 1.00 21.05 H new ATOM 0 HG23 VAL A 8 3.177 -9.497 -2.317 1.00 21.05 H new ATOM 133 N GLU A 9 3.669 -5.726 -5.856 1.00 25.12 N ATOM 134 CA GLU A 9 4.439 -4.592 -6.361 1.00 55.13 C ATOM 135 C GLU A 9 3.848 -3.289 -5.793 1.00 53.02 C ATOM 136 O GLU A 9 2.834 -2.792 -6.288 1.00 72.03 O ATOM 137 CB GLU A 9 4.416 -4.576 -7.914 1.00 10.43 C ATOM 138 CG GLU A 9 5.248 -3.435 -8.520 1.00 62.31 C ATOM 139 CD GLU A 9 5.093 -3.292 -10.033 1.00 73.12 C ATOM 140 OE1 GLU A 9 5.713 -4.074 -10.777 1.00 44.13 O ATOM 141 OE2 GLU A 9 4.357 -2.400 -10.487 1.00 22.52 O ATOM 0 H GLU A 9 2.798 -5.890 -6.361 1.00 25.12 H new ATOM 0 HA GLU A 9 5.477 -4.682 -6.041 1.00 55.13 H new ATOM 0 HB2 GLU A 9 4.792 -5.529 -8.286 1.00 10.43 H new ATOM 0 HB3 GLU A 9 3.385 -4.486 -8.255 1.00 10.43 H new ATOM 0 HG2 GLU A 9 4.961 -2.497 -8.045 1.00 62.31 H new ATOM 0 HG3 GLU A 9 6.300 -3.602 -8.286 1.00 62.31 H new ATOM 148 N ILE A 10 4.463 -2.742 -4.733 1.00 61.35 N ATOM 149 CA ILE A 10 4.007 -1.478 -4.144 1.00 13.13 C ATOM 150 C ILE A 10 4.768 -0.341 -4.846 1.00 43.51 C ATOM 151 O ILE A 10 5.977 -0.196 -4.680 1.00 22.25 O ATOM 152 CB ILE A 10 4.285 -1.407 -2.598 1.00 13.23 C ATOM 153 CG1 ILE A 10 3.642 -2.614 -1.842 1.00 62.23 C ATOM 154 CG2 ILE A 10 3.785 -0.055 -2.030 1.00 61.34 C ATOM 155 CD1 ILE A 10 2.131 -2.639 -1.870 1.00 72.11 C ATOM 0 H ILE A 10 5.273 -3.154 -4.270 1.00 61.35 H new ATOM 0 HA ILE A 10 2.929 -1.394 -4.281 1.00 13.13 H new ATOM 0 HB ILE A 10 5.362 -1.472 -2.441 1.00 13.23 H new ATOM 0 HG12 ILE A 10 4.016 -3.540 -2.278 1.00 62.23 H new ATOM 0 HG13 ILE A 10 3.973 -2.594 -0.804 1.00 62.23 H new ATOM 0 HG21 ILE A 10 3.982 -0.015 -0.959 1.00 61.34 H new ATOM 0 HG22 ILE A 10 4.307 0.763 -2.526 1.00 61.34 H new ATOM 0 HG23 ILE A 10 2.713 0.039 -2.206 1.00 61.34 H new ATOM 0 HD11 ILE A 10 1.771 -3.510 -1.322 1.00 72.11 H new ATOM 0 HD12 ILE A 10 1.743 -1.732 -1.406 1.00 72.11 H new ATOM 0 HD13 ILE A 10 1.787 -2.693 -2.903 1.00 72.11 H new ATOM 167 N LYS A 11 4.041 0.471 -5.612 1.00 41.44 N ATOM 168 CA LYS A 11 4.621 1.503 -6.489 1.00 54.24 C ATOM 169 C LYS A 11 4.301 2.893 -5.909 1.00 62.11 C ATOM 170 O LYS A 11 3.140 3.292 -5.854 1.00 45.23 O ATOM 171 CB LYS A 11 4.038 1.326 -7.934 1.00 73.54 C ATOM 172 CG LYS A 11 4.907 1.924 -9.068 1.00 25.51 C ATOM 173 CD LYS A 11 4.850 3.471 -9.194 1.00 24.21 C ATOM 174 CE LYS A 11 6.024 4.025 -10.023 1.00 21.11 C ATOM 175 NZ LYS A 11 6.209 3.293 -11.308 1.00 54.35 N ATOM 0 H LYS A 11 3.022 0.436 -5.646 1.00 41.44 H new ATOM 0 HA LYS A 11 5.705 1.403 -6.545 1.00 54.24 H new ATOM 0 HB2 LYS A 11 3.899 0.262 -8.126 1.00 73.54 H new ATOM 0 HB3 LYS A 11 3.051 1.788 -7.971 1.00 73.54 H new ATOM 0 HG2 LYS A 11 5.943 1.626 -8.907 1.00 25.51 H new ATOM 0 HG3 LYS A 11 4.593 1.486 -10.015 1.00 25.51 H new ATOM 0 HD2 LYS A 11 3.908 3.763 -9.659 1.00 24.21 H new ATOM 0 HD3 LYS A 11 4.866 3.917 -8.199 1.00 24.21 H new ATOM 0 HE2 LYS A 11 5.851 5.081 -10.231 1.00 21.11 H new ATOM 0 HE3 LYS A 11 6.941 3.961 -9.437 1.00 21.11 H new ATOM 0 HZ1 LYS A 11 6.906 3.794 -11.896 1.00 54.35 H new ATOM 0 HZ2 LYS A 11 6.549 2.330 -11.113 1.00 54.35 H new ATOM 0 HZ3 LYS A 11 5.301 3.244 -11.813 1.00 54.35 H new ATOM 189 N ILE A 12 5.332 3.619 -5.460 1.00 65.43 N ATOM 190 CA ILE A 12 5.192 4.995 -4.958 1.00 64.11 C ATOM 191 C ILE A 12 5.644 5.964 -6.062 1.00 13.41 C ATOM 192 O ILE A 12 6.763 5.834 -6.576 1.00 72.32 O ATOM 193 CB ILE A 12 6.052 5.255 -3.658 1.00 64.20 C ATOM 194 CG1 ILE A 12 5.852 4.119 -2.587 1.00 23.44 C ATOM 195 CG2 ILE A 12 5.723 6.653 -3.071 1.00 22.05 C ATOM 196 CD1 ILE A 12 4.446 3.988 -2.037 1.00 0.43 C ATOM 0 H ILE A 12 6.290 3.270 -5.434 1.00 65.43 H new ATOM 0 HA ILE A 12 4.146 5.152 -4.693 1.00 64.11 H new ATOM 0 HB ILE A 12 7.105 5.237 -3.939 1.00 64.20 H new ATOM 0 HG12 ILE A 12 6.140 3.167 -3.033 1.00 23.44 H new ATOM 0 HG13 ILE A 12 6.534 4.301 -1.756 1.00 23.44 H new ATOM 0 HG21 ILE A 12 6.321 6.822 -2.176 1.00 22.05 H new ATOM 0 HG22 ILE A 12 5.952 7.421 -3.810 1.00 22.05 H new ATOM 0 HG23 ILE A 12 4.665 6.700 -2.814 1.00 22.05 H new ATOM 0 HD11 ILE A 12 4.414 3.178 -1.308 1.00 0.43 H new ATOM 0 HD12 ILE A 12 4.155 4.922 -1.555 1.00 0.43 H new ATOM 0 HD13 ILE A 12 3.755 3.770 -2.852 1.00 0.43 H new ATOM 208 N ASP A 13 4.779 6.919 -6.436 1.00 73.12 N ATOM 209 CA ASP A 13 5.088 7.914 -7.470 1.00 14.45 C ATOM 210 C ASP A 13 4.998 9.327 -6.855 1.00 31.55 C ATOM 211 O ASP A 13 3.901 9.864 -6.664 1.00 12.15 O ATOM 212 CB ASP A 13 4.120 7.745 -8.664 1.00 71.13 C ATOM 213 CG ASP A 13 4.446 8.706 -9.816 1.00 34.42 C ATOM 214 OD1 ASP A 13 5.349 8.392 -10.629 1.00 62.05 O ATOM 215 OD2 ASP A 13 3.825 9.786 -9.909 1.00 62.02 O ATOM 0 H ASP A 13 3.849 7.022 -6.031 1.00 73.12 H new ATOM 0 HA ASP A 13 6.101 7.769 -7.844 1.00 14.45 H new ATOM 0 HB2 ASP A 13 4.168 6.718 -9.026 1.00 71.13 H new ATOM 0 HB3 ASP A 13 3.098 7.917 -8.328 1.00 71.13 H new ATOM 220 N CYS A 14 6.157 9.915 -6.517 1.00 3.11 N ATOM 221 CA CYS A 14 6.234 11.222 -5.838 1.00 14.04 C ATOM 222 C CYS A 14 6.762 12.304 -6.796 1.00 3.01 C ATOM 223 O CYS A 14 7.954 12.335 -7.135 1.00 60.55 O ATOM 224 CB CYS A 14 7.117 11.109 -4.572 1.00 0.43 C ATOM 225 SG CYS A 14 8.776 10.462 -4.861 1.00 34.35 S ATOM 0 H CYS A 14 7.069 9.499 -6.706 1.00 3.11 H new ATOM 0 HA CYS A 14 5.232 11.520 -5.530 1.00 14.04 H new ATOM 0 HB2 CYS A 14 7.201 12.095 -4.116 1.00 0.43 H new ATOM 0 HB3 CYS A 14 6.612 10.466 -3.851 1.00 0.43 H new ATOM 0 HG CYS A 14 9.266 10.991 -5.943 1.00 34.35 H new ATOM 231 N GLY A 15 5.836 13.160 -7.266 1.00 31.15 N ATOM 232 CA GLY A 15 6.169 14.336 -8.063 1.00 5.34 C ATOM 233 C GLY A 15 6.392 14.019 -9.539 1.00 44.43 C ATOM 234 O GLY A 15 5.472 13.545 -10.210 1.00 11.34 O ATOM 0 H GLY A 15 4.836 13.048 -7.099 1.00 31.15 H new ATOM 0 HA2 GLY A 15 5.366 15.067 -7.973 1.00 5.34 H new ATOM 0 HA3 GLY A 15 7.069 14.799 -7.658 1.00 5.34 H new ATOM 238 N ASN A 16 7.627 14.262 -10.028 1.00 62.10 N ATOM 239 CA ASN A 16 7.994 14.108 -11.450 1.00 51.42 C ATOM 240 C ASN A 16 9.522 14.026 -11.602 1.00 42.42 C ATOM 241 O ASN A 16 10.038 13.124 -12.263 1.00 12.13 O ATOM 242 CB ASN A 16 7.413 15.276 -12.311 1.00 74.55 C ATOM 243 CG ASN A 16 7.836 16.680 -11.844 1.00 42.33 C ATOM 244 OD1 ASN A 16 8.843 17.236 -12.290 1.00 41.21 O ATOM 245 ND2 ASN A 16 7.087 17.257 -10.922 1.00 31.12 N ATOM 0 H ASN A 16 8.402 14.573 -9.442 1.00 62.10 H new ATOM 0 HA ASN A 16 7.559 13.178 -11.815 1.00 51.42 H new ATOM 0 HB2 ASN A 16 7.728 15.140 -13.346 1.00 74.55 H new ATOM 0 HB3 ASN A 16 6.325 15.214 -12.298 1.00 74.55 H new ATOM 0 HD21 ASN A 16 7.337 18.179 -10.566 1.00 31.12 H new ATOM 0 HD22 ASN A 16 6.258 16.780 -10.566 1.00 31.12 H new ATOM 252 N ASP A 17 10.255 14.971 -10.976 1.00 53.52 N ATOM 253 CA ASP A 17 11.737 15.048 -11.091 1.00 70.01 C ATOM 254 C ASP A 17 12.389 14.333 -9.890 1.00 60.23 C ATOM 255 O ASP A 17 13.172 14.914 -9.116 1.00 42.24 O ATOM 256 CB ASP A 17 12.197 16.533 -11.203 1.00 73.14 C ATOM 257 CG ASP A 17 13.680 16.689 -11.625 1.00 72.33 C ATOM 258 OD1 ASP A 17 14.036 16.214 -12.725 1.00 63.13 O ATOM 259 OD2 ASP A 17 14.487 17.296 -10.875 1.00 21.02 O ATOM 0 H ASP A 17 9.849 15.695 -10.383 1.00 53.52 H new ATOM 0 HA ASP A 17 12.059 14.541 -12.000 1.00 70.01 H new ATOM 0 HB2 ASP A 17 11.565 17.047 -11.927 1.00 73.14 H new ATOM 0 HB3 ASP A 17 12.047 17.025 -10.242 1.00 73.14 H new ATOM 264 N ASP A 18 12.025 13.056 -9.735 1.00 52.10 N ATOM 265 CA ASP A 18 12.508 12.193 -8.653 1.00 41.43 C ATOM 266 C ASP A 18 12.312 10.730 -9.050 1.00 31.02 C ATOM 267 O ASP A 18 11.254 10.371 -9.588 1.00 40.21 O ATOM 268 CB ASP A 18 11.758 12.491 -7.331 1.00 45.52 C ATOM 269 CG ASP A 18 12.352 11.730 -6.136 1.00 62.24 C ATOM 270 OD1 ASP A 18 13.468 12.091 -5.706 1.00 11.15 O ATOM 271 OD2 ASP A 18 11.735 10.771 -5.628 1.00 23.54 O ATOM 0 H ASP A 18 11.377 12.586 -10.367 1.00 52.10 H new ATOM 0 HA ASP A 18 13.568 12.391 -8.491 1.00 41.43 H new ATOM 0 HB2 ASP A 18 11.793 13.562 -7.130 1.00 45.52 H new ATOM 0 HB3 ASP A 18 10.708 12.222 -7.444 1.00 45.52 H new ATOM 276 N LYS A 19 13.336 9.902 -8.795 1.00 42.42 N ATOM 277 CA LYS A 19 13.295 8.459 -9.060 1.00 24.32 C ATOM 278 C LYS A 19 12.263 7.764 -8.143 1.00 42.43 C ATOM 279 O LYS A 19 12.406 7.753 -6.910 1.00 5.44 O ATOM 280 CB LYS A 19 14.716 7.831 -8.913 1.00 31.15 C ATOM 281 CG LYS A 19 15.507 8.256 -7.652 1.00 15.42 C ATOM 282 CD LYS A 19 16.888 7.561 -7.556 1.00 61.43 C ATOM 283 CE LYS A 19 17.814 8.213 -6.512 1.00 51.04 C ATOM 284 NZ LYS A 19 17.230 8.209 -5.145 1.00 60.02 N ATOM 0 H LYS A 19 14.220 10.218 -8.397 1.00 42.42 H new ATOM 0 HA LYS A 19 12.974 8.303 -10.090 1.00 24.32 H new ATOM 0 HB2 LYS A 19 14.615 6.746 -8.908 1.00 31.15 H new ATOM 0 HB3 LYS A 19 15.303 8.093 -9.794 1.00 31.15 H new ATOM 0 HG2 LYS A 19 15.648 9.337 -7.662 1.00 15.42 H new ATOM 0 HG3 LYS A 19 14.922 8.019 -6.763 1.00 15.42 H new ATOM 0 HD2 LYS A 19 16.744 6.511 -7.302 1.00 61.43 H new ATOM 0 HD3 LYS A 19 17.372 7.589 -8.532 1.00 61.43 H new ATOM 0 HE2 LYS A 19 18.767 7.684 -6.497 1.00 51.04 H new ATOM 0 HE3 LYS A 19 18.024 9.240 -6.810 1.00 51.04 H new ATOM 0 HZ1 LYS A 19 17.901 8.644 -4.480 1.00 60.02 H new ATOM 0 HZ2 LYS A 19 16.342 8.751 -5.145 1.00 60.02 H new ATOM 0 HZ3 LYS A 19 17.038 7.230 -4.852 1.00 60.02 H new ATOM 298 N GLU A 20 11.208 7.219 -8.775 1.00 61.15 N ATOM 299 CA GLU A 20 10.106 6.509 -8.093 1.00 53.33 C ATOM 300 C GLU A 20 10.604 5.234 -7.372 1.00 11.23 C ATOM 301 O GLU A 20 11.600 4.625 -7.781 1.00 54.21 O ATOM 302 CB GLU A 20 8.937 6.211 -9.095 1.00 34.03 C ATOM 303 CG GLU A 20 9.344 5.701 -10.507 1.00 34.20 C ATOM 304 CD GLU A 20 10.017 4.321 -10.541 1.00 12.12 C ATOM 305 OE1 GLU A 20 9.391 3.346 -10.095 1.00 55.44 O ATOM 306 OE2 GLU A 20 11.170 4.207 -11.001 1.00 4.13 O ATOM 0 H GLU A 20 11.094 7.259 -9.788 1.00 61.15 H new ATOM 0 HA GLU A 20 9.711 7.163 -7.316 1.00 53.33 H new ATOM 0 HB2 GLU A 20 8.280 5.469 -8.641 1.00 34.03 H new ATOM 0 HB3 GLU A 20 8.352 7.123 -9.217 1.00 34.03 H new ATOM 0 HG2 GLU A 20 8.452 5.667 -11.133 1.00 34.20 H new ATOM 0 HG3 GLU A 20 10.021 6.428 -10.956 1.00 34.20 H new ATOM 313 N THR A 21 9.921 4.863 -6.276 1.00 31.32 N ATOM 314 CA THR A 21 10.342 3.776 -5.383 1.00 23.25 C ATOM 315 C THR A 21 9.296 2.668 -5.412 1.00 44.41 C ATOM 316 O THR A 21 8.151 2.870 -5.001 1.00 34.23 O ATOM 317 CB THR A 21 10.541 4.305 -3.931 1.00 32.30 C ATOM 318 OG1 THR A 21 11.416 5.437 -3.955 1.00 14.43 O ATOM 319 CG2 THR A 21 11.143 3.243 -3.005 1.00 61.31 C ATOM 0 H THR A 21 9.054 5.314 -5.985 1.00 31.32 H new ATOM 0 HA THR A 21 11.297 3.378 -5.727 1.00 23.25 H new ATOM 0 HB THR A 21 9.558 4.576 -3.545 1.00 32.30 H new ATOM 0 HG1 THR A 21 12.319 5.158 -3.697 1.00 14.43 H new ATOM 0 HG21 THR A 21 11.263 3.658 -2.004 1.00 61.31 H new ATOM 0 HG22 THR A 21 10.479 2.379 -2.962 1.00 61.31 H new ATOM 0 HG23 THR A 21 12.116 2.935 -3.389 1.00 61.31 H new ATOM 327 N THR A 22 9.703 1.497 -5.903 1.00 61.43 N ATOM 328 CA THR A 22 8.806 0.372 -6.146 1.00 34.20 C ATOM 329 C THR A 22 9.368 -0.897 -5.479 1.00 52.11 C ATOM 330 O THR A 22 10.499 -1.307 -5.761 1.00 54.11 O ATOM 331 CB THR A 22 8.622 0.169 -7.685 1.00 14.32 C ATOM 332 OG1 THR A 22 8.218 1.412 -8.289 1.00 63.44 O ATOM 333 CG2 THR A 22 7.565 -0.883 -7.991 1.00 60.14 C ATOM 0 H THR A 22 10.675 1.303 -6.145 1.00 61.43 H new ATOM 0 HA THR A 22 7.829 0.579 -5.710 1.00 34.20 H new ATOM 0 HB THR A 22 9.576 -0.167 -8.090 1.00 14.32 H new ATOM 0 HG1 THR A 22 8.949 1.760 -8.841 1.00 63.44 H new ATOM 0 HG21 THR A 22 7.466 -0.996 -9.071 1.00 60.14 H new ATOM 0 HG22 THR A 22 7.862 -1.836 -7.552 1.00 60.14 H new ATOM 0 HG23 THR A 22 6.609 -0.572 -7.569 1.00 60.14 H new ATOM 341 N TYR A 23 8.564 -1.502 -4.590 1.00 24.45 N ATOM 342 CA TYR A 23 8.972 -2.644 -3.758 1.00 72.11 C ATOM 343 C TYR A 23 8.313 -3.914 -4.306 1.00 1.40 C ATOM 344 O TYR A 23 7.098 -3.943 -4.491 1.00 63.53 O ATOM 345 CB TYR A 23 8.504 -2.439 -2.282 1.00 41.42 C ATOM 346 CG TYR A 23 8.757 -1.037 -1.708 1.00 3.44 C ATOM 347 CD1 TYR A 23 9.944 -0.718 -1.049 1.00 43.14 C ATOM 348 CD2 TYR A 23 7.790 -0.031 -1.829 1.00 15.43 C ATOM 349 CE1 TYR A 23 10.155 0.556 -0.540 1.00 63.32 C ATOM 350 CE2 TYR A 23 8.000 1.233 -1.331 1.00 21.22 C ATOM 351 CZ TYR A 23 9.176 1.525 -0.684 1.00 1.13 C ATOM 352 OH TYR A 23 9.392 2.800 -0.204 1.00 31.13 O ATOM 0 H TYR A 23 7.601 -1.208 -4.427 1.00 24.45 H new ATOM 0 HA TYR A 23 10.058 -2.729 -3.781 1.00 72.11 H new ATOM 0 HB2 TYR A 23 7.437 -2.652 -2.223 1.00 41.42 H new ATOM 0 HB3 TYR A 23 9.011 -3.170 -1.652 1.00 41.42 H new ATOM 0 HD1 TYR A 23 10.709 -1.472 -0.933 1.00 43.14 H new ATOM 0 HD2 TYR A 23 6.857 -0.254 -2.325 1.00 15.43 H new ATOM 0 HE1 TYR A 23 11.079 0.791 -0.033 1.00 63.32 H new ATOM 0 HE2 TYR A 23 7.243 1.994 -1.448 1.00 21.22 H new ATOM 0 HH TYR A 23 8.606 3.356 -0.388 1.00 31.13 H new ATOM 362 N ASP A 24 9.112 -4.954 -4.562 1.00 70.33 N ATOM 363 CA ASP A 24 8.594 -6.292 -4.889 1.00 51.33 C ATOM 364 C ASP A 24 8.761 -7.160 -3.649 1.00 71.33 C ATOM 365 O ASP A 24 9.862 -7.640 -3.343 1.00 65.40 O ATOM 366 CB ASP A 24 9.327 -6.924 -6.104 1.00 72.41 C ATOM 367 CG ASP A 24 9.166 -6.096 -7.393 1.00 40.42 C ATOM 368 OD1 ASP A 24 9.886 -5.090 -7.562 1.00 44.41 O ATOM 369 OD2 ASP A 24 8.334 -6.458 -8.254 1.00 3.01 O ATOM 0 H ASP A 24 10.130 -4.896 -4.549 1.00 70.33 H new ATOM 0 HA ASP A 24 7.545 -6.216 -5.175 1.00 51.33 H new ATOM 0 HB2 ASP A 24 10.387 -7.024 -5.871 1.00 72.41 H new ATOM 0 HB3 ASP A 24 8.942 -7.930 -6.273 1.00 72.41 H new ATOM 374 N LEU A 25 7.678 -7.291 -2.891 1.00 5.22 N ATOM 375 CA LEU A 25 7.632 -8.114 -1.671 1.00 73.04 C ATOM 376 C LEU A 25 6.644 -9.261 -1.901 1.00 70.53 C ATOM 377 O LEU A 25 5.689 -9.107 -2.657 1.00 32.22 O ATOM 378 CB LEU A 25 7.251 -7.216 -0.445 1.00 42.33 C ATOM 379 CG LEU A 25 5.853 -6.470 -0.482 1.00 32.22 C ATOM 380 CD1 LEU A 25 4.742 -7.262 0.255 1.00 24.33 C ATOM 381 CD2 LEU A 25 5.956 -5.023 0.060 1.00 51.11 C ATOM 0 H LEU A 25 6.794 -6.827 -3.102 1.00 5.22 H new ATOM 0 HA LEU A 25 8.606 -8.549 -1.448 1.00 73.04 H new ATOM 0 HB2 LEU A 25 7.274 -7.841 0.448 1.00 42.33 H new ATOM 0 HB3 LEU A 25 8.030 -6.463 -0.327 1.00 42.33 H new ATOM 0 HG LEU A 25 5.566 -6.412 -1.532 1.00 32.22 H new ATOM 0 HD11 LEU A 25 3.804 -6.709 0.201 1.00 24.33 H new ATOM 0 HD12 LEU A 25 4.616 -8.237 -0.217 1.00 24.33 H new ATOM 0 HD13 LEU A 25 5.024 -7.398 1.299 1.00 24.33 H new ATOM 0 HD21 LEU A 25 4.976 -4.548 0.017 1.00 51.11 H new ATOM 0 HD22 LEU A 25 6.303 -5.045 1.093 1.00 51.11 H new ATOM 0 HD23 LEU A 25 6.661 -4.456 -0.548 1.00 51.11 H new ATOM 393 N TYR A 26 6.897 -10.424 -1.305 1.00 73.52 N ATOM 394 CA TYR A 26 5.994 -11.576 -1.421 1.00 61.05 C ATOM 395 C TYR A 26 5.118 -11.656 -0.172 1.00 13.23 C ATOM 396 O TYR A 26 5.636 -11.836 0.941 1.00 63.52 O ATOM 397 CB TYR A 26 6.789 -12.889 -1.609 1.00 73.42 C ATOM 398 CG TYR A 26 7.678 -12.925 -2.866 1.00 31.34 C ATOM 399 CD1 TYR A 26 7.226 -12.405 -4.082 1.00 72.13 C ATOM 400 CD2 TYR A 26 8.961 -13.484 -2.840 1.00 54.24 C ATOM 401 CE1 TYR A 26 8.014 -12.438 -5.212 1.00 63.23 C ATOM 402 CE2 TYR A 26 9.752 -13.519 -3.972 1.00 4.13 C ATOM 403 CZ TYR A 26 9.276 -12.998 -5.154 1.00 3.24 C ATOM 404 OH TYR A 26 10.063 -13.039 -6.285 1.00 63.41 O ATOM 0 H TYR A 26 7.723 -10.598 -0.733 1.00 73.52 H new ATOM 0 HA TYR A 26 5.364 -11.443 -2.300 1.00 61.05 H new ATOM 0 HB2 TYR A 26 7.416 -13.048 -0.732 1.00 73.42 H new ATOM 0 HB3 TYR A 26 6.086 -13.721 -1.653 1.00 73.42 H new ATOM 0 HD1 TYR A 26 6.240 -11.969 -4.137 1.00 72.13 H new ATOM 0 HD2 TYR A 26 9.340 -13.896 -1.917 1.00 54.24 H new ATOM 0 HE1 TYR A 26 7.646 -12.027 -6.141 1.00 63.23 H new ATOM 0 HE2 TYR A 26 10.740 -13.953 -3.930 1.00 4.13 H new ATOM 0 HH TYR A 26 10.920 -13.464 -6.072 1.00 63.41 H new ATOM 414 N PHE A 27 3.801 -11.469 -0.355 1.00 43.11 N ATOM 415 CA PHE A 27 2.815 -11.709 0.696 1.00 72.55 C ATOM 416 C PHE A 27 2.598 -13.220 0.835 1.00 45.03 C ATOM 417 O PHE A 27 1.861 -13.854 0.078 1.00 54.12 O ATOM 418 CB PHE A 27 1.492 -10.924 0.426 1.00 13.32 C ATOM 419 CG PHE A 27 0.220 -11.465 1.096 1.00 62.44 C ATOM 420 CD1 PHE A 27 0.111 -11.558 2.477 1.00 14.32 C ATOM 421 CD2 PHE A 27 -0.855 -11.908 0.328 1.00 33.31 C ATOM 422 CE1 PHE A 27 -1.018 -12.089 3.065 1.00 2.24 C ATOM 423 CE2 PHE A 27 -1.972 -12.446 0.915 1.00 21.12 C ATOM 424 CZ PHE A 27 -2.056 -12.528 2.281 1.00 14.52 C ATOM 0 H PHE A 27 3.397 -11.148 -1.235 1.00 43.11 H new ATOM 0 HA PHE A 27 3.188 -11.330 1.648 1.00 72.55 H new ATOM 0 HB2 PHE A 27 1.636 -9.893 0.751 1.00 13.32 H new ATOM 0 HB3 PHE A 27 1.325 -10.899 -0.651 1.00 13.32 H new ATOM 0 HD1 PHE A 27 0.922 -11.210 3.100 1.00 14.32 H new ATOM 0 HD2 PHE A 27 -0.808 -11.826 -0.748 1.00 33.31 H new ATOM 0 HE1 PHE A 27 -1.085 -12.159 4.141 1.00 2.24 H new ATOM 0 HE2 PHE A 27 -2.785 -12.805 0.301 1.00 21.12 H new ATOM 0 HZ PHE A 27 -2.942 -12.939 2.742 1.00 14.52 H new ATOM 434 N SER A 28 3.351 -13.794 1.750 1.00 70.13 N ATOM 435 CA SER A 28 3.024 -15.074 2.334 1.00 23.20 C ATOM 436 C SER A 28 1.872 -14.841 3.336 1.00 15.41 C ATOM 437 O SER A 28 1.946 -13.888 4.130 1.00 32.34 O ATOM 438 CB SER A 28 4.278 -15.654 3.016 1.00 42.20 C ATOM 439 OG SER A 28 5.363 -15.773 2.093 1.00 72.42 O ATOM 0 H SER A 28 4.212 -13.382 2.110 1.00 70.13 H new ATOM 0 HA SER A 28 2.702 -15.796 1.583 1.00 23.20 H new ATOM 0 HB2 SER A 28 4.573 -15.012 3.846 1.00 42.20 H new ATOM 0 HB3 SER A 28 4.046 -16.633 3.436 1.00 42.20 H new ATOM 0 HG SER A 28 6.145 -16.142 2.554 1.00 72.42 H new ATOM 445 N LYS A 29 0.776 -15.619 3.192 1.00 23.33 N ATOM 446 CA LYS A 29 -0.366 -15.651 4.142 1.00 72.45 C ATOM 447 C LYS A 29 0.137 -15.854 5.594 1.00 22.14 C ATOM 448 O LYS A 29 0.176 -16.989 6.105 1.00 63.13 O ATOM 449 CB LYS A 29 -1.336 -16.796 3.745 1.00 14.42 C ATOM 450 CG LYS A 29 -1.913 -16.720 2.306 1.00 0.11 C ATOM 451 CD LYS A 29 -2.666 -18.019 1.894 1.00 40.44 C ATOM 452 CE LYS A 29 -3.853 -18.352 2.816 1.00 73.31 C ATOM 453 NZ LYS A 29 -4.519 -19.631 2.437 1.00 23.25 N ATOM 0 H LYS A 29 0.655 -16.253 2.402 1.00 23.33 H new ATOM 0 HA LYS A 29 -0.893 -14.698 4.095 1.00 72.45 H new ATOM 0 HB2 LYS A 29 -0.813 -17.746 3.857 1.00 14.42 H new ATOM 0 HB3 LYS A 29 -2.167 -16.804 4.450 1.00 14.42 H new ATOM 0 HG2 LYS A 29 -2.594 -15.872 2.236 1.00 0.11 H new ATOM 0 HG3 LYS A 29 -1.101 -16.536 1.602 1.00 0.11 H new ATOM 0 HD2 LYS A 29 -3.028 -17.912 0.871 1.00 40.44 H new ATOM 0 HD3 LYS A 29 -1.965 -18.854 1.899 1.00 40.44 H new ATOM 0 HE2 LYS A 29 -3.503 -18.418 3.846 1.00 73.31 H new ATOM 0 HE3 LYS A 29 -4.580 -17.541 2.777 1.00 73.31 H new ATOM 0 HZ1 LYS A 29 -5.485 -19.646 2.821 1.00 23.25 H new ATOM 0 HZ2 LYS A 29 -4.557 -19.709 1.401 1.00 23.25 H new ATOM 0 HZ3 LYS A 29 -3.980 -20.431 2.824 1.00 23.25 H new ATOM 467 N ALA A 30 0.531 -14.745 6.235 1.00 60.25 N ATOM 468 CA ALA A 30 1.356 -14.784 7.451 1.00 32.33 C ATOM 469 C ALA A 30 1.427 -13.416 8.149 1.00 23.11 C ATOM 470 O ALA A 30 0.882 -12.421 7.656 1.00 22.04 O ATOM 471 CB ALA A 30 2.788 -15.252 7.075 1.00 71.35 C ATOM 0 H ALA A 30 0.289 -13.803 5.929 1.00 60.25 H new ATOM 0 HA ALA A 30 0.894 -15.482 8.149 1.00 32.33 H new ATOM 0 HB1 ALA A 30 3.407 -15.284 7.971 1.00 71.35 H new ATOM 0 HB2 ALA A 30 2.741 -16.246 6.631 1.00 71.35 H new ATOM 0 HB3 ALA A 30 3.222 -14.555 6.359 1.00 71.35 H new ATOM 477 N GLU A 31 2.136 -13.400 9.304 1.00 51.23 N ATOM 478 CA GLU A 31 2.500 -12.175 10.054 1.00 20.31 C ATOM 479 C GLU A 31 3.443 -11.273 9.214 1.00 72.44 C ATOM 480 O GLU A 31 3.478 -10.045 9.402 1.00 41.43 O ATOM 481 CB GLU A 31 3.152 -12.555 11.414 1.00 73.15 C ATOM 482 CG GLU A 31 3.525 -11.351 12.307 1.00 34.01 C ATOM 483 CD GLU A 31 4.118 -11.758 13.658 1.00 20.43 C ATOM 484 OE1 GLU A 31 5.310 -12.124 13.704 1.00 5.34 O ATOM 485 OE2 GLU A 31 3.401 -11.713 14.678 1.00 24.13 O ATOM 0 H GLU A 31 2.476 -14.253 9.747 1.00 51.23 H new ATOM 0 HA GLU A 31 1.592 -11.606 10.255 1.00 20.31 H new ATOM 0 HB2 GLU A 31 2.466 -13.199 11.964 1.00 73.15 H new ATOM 0 HB3 GLU A 31 4.052 -13.139 11.220 1.00 73.15 H new ATOM 0 HG2 GLU A 31 4.242 -10.724 11.778 1.00 34.01 H new ATOM 0 HG3 GLU A 31 2.635 -10.744 12.477 1.00 34.01 H new ATOM 492 N GLU A 32 4.180 -11.923 8.276 1.00 52.31 N ATOM 493 CA GLU A 32 5.153 -11.276 7.365 1.00 35.33 C ATOM 494 C GLU A 32 4.521 -10.087 6.625 1.00 1.41 C ATOM 495 O GLU A 32 5.136 -9.026 6.520 1.00 51.53 O ATOM 496 CB GLU A 32 5.678 -12.318 6.336 1.00 14.43 C ATOM 497 CG GLU A 32 6.455 -13.488 6.973 1.00 74.34 C ATOM 498 CD GLU A 32 6.827 -14.581 5.961 1.00 41.01 C ATOM 499 OE1 GLU A 32 7.823 -14.414 5.214 1.00 64.40 O ATOM 500 OE2 GLU A 32 6.128 -15.607 5.895 1.00 54.44 O ATOM 0 H GLU A 32 4.111 -12.930 8.131 1.00 52.31 H new ATOM 0 HA GLU A 32 5.982 -10.899 7.964 1.00 35.33 H new ATOM 0 HB2 GLU A 32 4.833 -12.718 5.776 1.00 14.43 H new ATOM 0 HB3 GLU A 32 6.325 -11.812 5.619 1.00 14.43 H new ATOM 0 HG2 GLU A 32 7.364 -13.104 7.436 1.00 74.34 H new ATOM 0 HG3 GLU A 32 5.853 -13.927 7.769 1.00 74.34 H new ATOM 507 N ALA A 33 3.258 -10.273 6.195 1.00 71.34 N ATOM 508 CA ALA A 33 2.470 -9.249 5.488 1.00 74.02 C ATOM 509 C ALA A 33 2.417 -7.933 6.285 1.00 75.11 C ATOM 510 O ALA A 33 2.804 -6.877 5.779 1.00 14.23 O ATOM 511 CB ALA A 33 1.042 -9.778 5.263 1.00 43.44 C ATOM 0 H ALA A 33 2.752 -11.148 6.331 1.00 71.34 H new ATOM 0 HA ALA A 33 2.950 -9.042 4.531 1.00 74.02 H new ATOM 0 HB1 ALA A 33 0.453 -9.025 4.740 1.00 43.44 H new ATOM 0 HB2 ALA A 33 1.081 -10.688 4.664 1.00 43.44 H new ATOM 0 HB3 ALA A 33 0.579 -9.997 6.225 1.00 43.44 H new ATOM 517 N LYS A 34 2.029 -8.059 7.565 1.00 43.42 N ATOM 518 CA LYS A 34 1.872 -6.933 8.509 1.00 13.23 C ATOM 519 C LYS A 34 3.217 -6.199 8.751 1.00 44.20 C ATOM 520 O LYS A 34 3.241 -4.991 9.028 1.00 43.05 O ATOM 521 CB LYS A 34 1.295 -7.469 9.845 1.00 33.11 C ATOM 522 CG LYS A 34 0.978 -6.391 10.908 1.00 33.11 C ATOM 523 CD LYS A 34 0.541 -6.998 12.263 1.00 43.14 C ATOM 524 CE LYS A 34 1.612 -7.909 12.884 1.00 34.45 C ATOM 525 NZ LYS A 34 1.173 -8.456 14.197 1.00 3.24 N ATOM 0 H LYS A 34 1.811 -8.963 7.984 1.00 43.42 H new ATOM 0 HA LYS A 34 1.184 -6.207 8.076 1.00 13.23 H new ATOM 0 HB2 LYS A 34 0.382 -8.024 9.631 1.00 33.11 H new ATOM 0 HB3 LYS A 34 2.006 -8.177 10.271 1.00 33.11 H new ATOM 0 HG2 LYS A 34 1.859 -5.768 11.061 1.00 33.11 H new ATOM 0 HG3 LYS A 34 0.188 -5.740 10.535 1.00 33.11 H new ATOM 0 HD2 LYS A 34 0.309 -6.192 12.959 1.00 43.14 H new ATOM 0 HD3 LYS A 34 -0.376 -7.569 12.120 1.00 43.14 H new ATOM 0 HE2 LYS A 34 1.831 -8.731 12.202 1.00 34.45 H new ATOM 0 HE3 LYS A 34 2.537 -7.347 13.014 1.00 34.45 H new ATOM 0 HZ1 LYS A 34 1.920 -9.066 14.586 1.00 3.24 H new ATOM 0 HZ2 LYS A 34 0.988 -7.672 14.855 1.00 3.24 H new ATOM 0 HZ3 LYS A 34 0.304 -9.013 14.068 1.00 3.24 H new ATOM 539 N GLU A 35 4.330 -6.943 8.649 1.00 34.24 N ATOM 540 CA GLU A 35 5.680 -6.392 8.847 1.00 1.23 C ATOM 541 C GLU A 35 6.122 -5.564 7.607 1.00 74.23 C ATOM 542 O GLU A 35 6.762 -4.515 7.751 1.00 74.45 O ATOM 543 CB GLU A 35 6.677 -7.537 9.144 1.00 1.20 C ATOM 544 CG GLU A 35 8.017 -7.051 9.730 1.00 73.31 C ATOM 545 CD GLU A 35 9.043 -8.174 9.915 1.00 12.02 C ATOM 546 OE1 GLU A 35 8.943 -8.934 10.898 1.00 62.20 O ATOM 547 OE2 GLU A 35 9.956 -8.301 9.076 1.00 51.34 O ATOM 0 H GLU A 35 4.320 -7.939 8.428 1.00 34.24 H new ATOM 0 HA GLU A 35 5.667 -5.718 9.704 1.00 1.23 H new ATOM 0 HB2 GLU A 35 6.217 -8.236 9.842 1.00 1.20 H new ATOM 0 HB3 GLU A 35 6.871 -8.087 8.223 1.00 1.20 H new ATOM 0 HG2 GLU A 35 8.437 -6.289 9.073 1.00 73.31 H new ATOM 0 HG3 GLU A 35 7.833 -6.575 10.693 1.00 73.31 H new ATOM 554 N LEU A 36 5.757 -6.044 6.389 1.00 10.30 N ATOM 555 CA LEU A 36 5.969 -5.297 5.120 1.00 40.54 C ATOM 556 C LEU A 36 5.100 -4.020 5.085 1.00 41.45 C ATOM 557 O LEU A 36 5.506 -3.007 4.516 1.00 13.13 O ATOM 558 CB LEU A 36 5.668 -6.175 3.861 1.00 35.15 C ATOM 559 CG LEU A 36 6.811 -7.133 3.352 1.00 73.24 C ATOM 560 CD1 LEU A 36 8.163 -6.403 3.214 1.00 0.20 C ATOM 561 CD2 LEU A 36 6.937 -8.426 4.181 1.00 61.42 C ATOM 0 H LEU A 36 5.311 -6.952 6.259 1.00 10.30 H new ATOM 0 HA LEU A 36 7.022 -5.019 5.090 1.00 40.54 H new ATOM 0 HB2 LEU A 36 4.790 -6.784 4.078 1.00 35.15 H new ATOM 0 HB3 LEU A 36 5.399 -5.508 3.042 1.00 35.15 H new ATOM 0 HG LEU A 36 6.509 -7.447 2.353 1.00 73.24 H new ATOM 0 HD11 LEU A 36 8.920 -7.103 2.861 1.00 0.20 H new ATOM 0 HD12 LEU A 36 8.064 -5.585 2.500 1.00 0.20 H new ATOM 0 HD13 LEU A 36 8.462 -6.004 4.183 1.00 0.20 H new ATOM 0 HD21 LEU A 36 7.742 -9.040 3.777 1.00 61.42 H new ATOM 0 HD22 LEU A 36 7.158 -8.173 5.218 1.00 61.42 H new ATOM 0 HD23 LEU A 36 6.000 -8.980 4.135 1.00 61.42 H new ATOM 573 N LEU A 37 3.900 -4.107 5.691 1.00 11.52 N ATOM 574 CA LEU A 37 2.977 -2.963 5.881 1.00 72.53 C ATOM 575 C LEU A 37 3.687 -1.826 6.631 1.00 75.44 C ATOM 576 O LEU A 37 3.609 -0.668 6.224 1.00 11.33 O ATOM 577 CB LEU A 37 1.705 -3.466 6.639 1.00 11.12 C ATOM 578 CG LEU A 37 0.616 -2.420 7.122 1.00 31.31 C ATOM 579 CD1 LEU A 37 -0.790 -3.069 7.169 1.00 63.02 C ATOM 580 CD2 LEU A 37 0.959 -1.810 8.513 1.00 3.21 C ATOM 0 H LEU A 37 3.537 -4.982 6.068 1.00 11.52 H new ATOM 0 HA LEU A 37 2.667 -2.560 4.917 1.00 72.53 H new ATOM 0 HB2 LEU A 37 1.202 -4.184 5.991 1.00 11.12 H new ATOM 0 HB3 LEU A 37 2.045 -4.013 7.519 1.00 11.12 H new ATOM 0 HG LEU A 37 0.616 -1.610 6.392 1.00 31.31 H new ATOM 0 HD11 LEU A 37 -1.520 -2.332 7.503 1.00 63.02 H new ATOM 0 HD12 LEU A 37 -1.061 -3.423 6.174 1.00 63.02 H new ATOM 0 HD13 LEU A 37 -0.780 -3.910 7.863 1.00 63.02 H new ATOM 0 HD21 LEU A 37 0.184 -1.100 8.800 1.00 3.21 H new ATOM 0 HD22 LEU A 37 1.015 -2.606 9.256 1.00 3.21 H new ATOM 0 HD23 LEU A 37 1.919 -1.297 8.458 1.00 3.21 H new ATOM 592 N LYS A 38 4.393 -2.203 7.716 1.00 74.11 N ATOM 593 CA LYS A 38 5.126 -1.268 8.593 1.00 34.30 C ATOM 594 C LYS A 38 6.262 -0.552 7.834 1.00 13.34 C ATOM 595 O LYS A 38 6.486 0.656 8.018 1.00 12.14 O ATOM 596 CB LYS A 38 5.697 -2.051 9.808 1.00 55.24 C ATOM 597 CG LYS A 38 6.440 -1.177 10.846 1.00 64.11 C ATOM 598 CD LYS A 38 6.978 -1.987 12.048 1.00 74.21 C ATOM 599 CE LYS A 38 5.866 -2.707 12.836 1.00 33.02 C ATOM 600 NZ LYS A 38 4.820 -1.761 13.325 1.00 42.25 N ATOM 0 H LYS A 38 4.471 -3.176 8.011 1.00 74.11 H new ATOM 0 HA LYS A 38 4.433 -0.501 8.940 1.00 34.30 H new ATOM 0 HB2 LYS A 38 4.878 -2.568 10.308 1.00 55.24 H new ATOM 0 HB3 LYS A 38 6.381 -2.817 9.441 1.00 55.24 H new ATOM 0 HG2 LYS A 38 7.271 -0.670 10.356 1.00 64.11 H new ATOM 0 HG3 LYS A 38 5.764 -0.403 11.210 1.00 64.11 H new ATOM 0 HD2 LYS A 38 7.697 -2.724 11.690 1.00 74.21 H new ATOM 0 HD3 LYS A 38 7.516 -1.317 12.719 1.00 74.21 H new ATOM 0 HE2 LYS A 38 5.403 -3.462 12.200 1.00 33.02 H new ATOM 0 HE3 LYS A 38 6.305 -3.231 13.685 1.00 33.02 H new ATOM 0 HZ1 LYS A 38 4.139 -2.274 13.920 1.00 42.25 H new ATOM 0 HZ2 LYS A 38 5.268 -1.007 13.883 1.00 42.25 H new ATOM 0 HZ3 LYS A 38 4.324 -1.342 12.513 1.00 42.25 H new ATOM 614 N LYS A 39 6.953 -1.324 6.975 1.00 53.43 N ATOM 615 CA LYS A 39 8.075 -0.829 6.161 1.00 35.44 C ATOM 616 C LYS A 39 7.595 0.242 5.165 1.00 11.54 C ATOM 617 O LYS A 39 8.088 1.370 5.174 1.00 33.32 O ATOM 618 CB LYS A 39 8.745 -2.012 5.404 1.00 52.22 C ATOM 619 CG LYS A 39 9.406 -3.063 6.326 1.00 35.43 C ATOM 620 CD LYS A 39 10.078 -4.204 5.531 1.00 71.21 C ATOM 621 CE LYS A 39 10.780 -5.234 6.430 1.00 14.43 C ATOM 622 NZ LYS A 39 9.822 -5.943 7.321 1.00 54.53 N ATOM 0 H LYS A 39 6.747 -2.312 6.827 1.00 53.43 H new ATOM 0 HA LYS A 39 8.810 -0.372 6.824 1.00 35.44 H new ATOM 0 HB2 LYS A 39 7.994 -2.507 4.789 1.00 52.22 H new ATOM 0 HB3 LYS A 39 9.500 -1.614 4.726 1.00 52.22 H new ATOM 0 HG2 LYS A 39 10.151 -2.574 6.954 1.00 35.43 H new ATOM 0 HG3 LYS A 39 8.653 -3.483 6.992 1.00 35.43 H new ATOM 0 HD2 LYS A 39 9.325 -4.711 4.928 1.00 71.21 H new ATOM 0 HD3 LYS A 39 10.806 -3.778 4.840 1.00 71.21 H new ATOM 0 HE2 LYS A 39 11.303 -5.961 5.808 1.00 14.43 H new ATOM 0 HE3 LYS A 39 11.534 -4.732 7.036 1.00 14.43 H new ATOM 0 HZ1 LYS A 39 10.248 -6.832 7.652 1.00 54.53 H new ATOM 0 HZ2 LYS A 39 9.598 -5.341 8.139 1.00 54.53 H new ATOM 0 HZ3 LYS A 39 8.949 -6.152 6.796 1.00 54.53 H new ATOM 636 N VAL A 40 6.569 -0.119 4.374 1.00 21.24 N ATOM 637 CA VAL A 40 6.021 0.729 3.302 1.00 20.21 C ATOM 638 C VAL A 40 5.358 2.011 3.864 1.00 22.02 C ATOM 639 O VAL A 40 5.456 3.083 3.248 1.00 52.30 O ATOM 640 CB VAL A 40 4.996 -0.086 2.419 1.00 34.23 C ATOM 641 CG1 VAL A 40 4.248 0.822 1.412 1.00 24.23 C ATOM 642 CG2 VAL A 40 5.710 -1.261 1.695 1.00 14.00 C ATOM 0 H VAL A 40 6.093 -1.017 4.462 1.00 21.24 H new ATOM 0 HA VAL A 40 6.855 1.041 2.673 1.00 20.21 H new ATOM 0 HB VAL A 40 4.244 -0.502 3.089 1.00 34.23 H new ATOM 0 HG11 VAL A 40 3.554 0.220 0.826 1.00 24.23 H new ATOM 0 HG12 VAL A 40 3.695 1.589 1.955 1.00 24.23 H new ATOM 0 HG13 VAL A 40 4.968 1.297 0.746 1.00 24.23 H new ATOM 0 HG21 VAL A 40 4.987 -1.810 1.092 1.00 14.00 H new ATOM 0 HG22 VAL A 40 6.496 -0.867 1.050 1.00 14.00 H new ATOM 0 HG23 VAL A 40 6.149 -1.931 2.434 1.00 14.00 H new ATOM 652 N ALA A 41 4.727 1.885 5.049 1.00 74.40 N ATOM 653 CA ALA A 41 3.933 2.965 5.674 1.00 40.10 C ATOM 654 C ALA A 41 4.764 4.240 5.897 1.00 15.30 C ATOM 655 O ALA A 41 4.396 5.332 5.428 1.00 13.13 O ATOM 656 CB ALA A 41 3.336 2.469 7.009 1.00 34.32 C ATOM 0 H ALA A 41 4.753 1.029 5.602 1.00 74.40 H new ATOM 0 HA ALA A 41 3.126 3.225 4.988 1.00 40.10 H new ATOM 0 HB1 ALA A 41 2.752 3.268 7.466 1.00 34.32 H new ATOM 0 HB2 ALA A 41 2.692 1.610 6.823 1.00 34.32 H new ATOM 0 HB3 ALA A 41 4.142 2.179 7.683 1.00 34.32 H new ATOM 662 N GLU A 42 5.902 4.082 6.591 1.00 72.51 N ATOM 663 CA GLU A 42 6.782 5.198 6.960 1.00 0.23 C ATOM 664 C GLU A 42 7.642 5.642 5.761 1.00 43.55 C ATOM 665 O GLU A 42 7.989 6.825 5.653 1.00 62.21 O ATOM 666 CB GLU A 42 7.604 4.847 8.233 1.00 61.22 C ATOM 667 CG GLU A 42 8.493 3.580 8.162 1.00 71.23 C ATOM 668 CD GLU A 42 9.929 3.851 7.694 1.00 11.30 C ATOM 669 OE1 GLU A 42 10.730 4.389 8.495 1.00 34.11 O ATOM 670 OE2 GLU A 42 10.267 3.546 6.543 1.00 40.03 O ATOM 0 H GLU A 42 6.237 3.174 6.912 1.00 72.51 H new ATOM 0 HA GLU A 42 6.176 6.065 7.222 1.00 0.23 H new ATOM 0 HB2 GLU A 42 8.243 5.698 8.470 1.00 61.22 H new ATOM 0 HB3 GLU A 42 6.909 4.729 9.064 1.00 61.22 H new ATOM 0 HG2 GLU A 42 8.525 3.115 9.147 1.00 71.23 H new ATOM 0 HG3 GLU A 42 8.031 2.862 7.485 1.00 71.23 H new ATOM 677 N LYS A 43 7.984 4.671 4.868 1.00 23.43 N ATOM 678 CA LYS A 43 8.748 4.924 3.618 1.00 14.53 C ATOM 679 C LYS A 43 8.014 5.897 2.681 1.00 33.13 C ATOM 680 O LYS A 43 8.627 6.793 2.094 1.00 2.41 O ATOM 681 CB LYS A 43 9.069 3.581 2.856 1.00 65.41 C ATOM 682 CG LYS A 43 10.297 2.766 3.358 1.00 51.11 C ATOM 683 CD LYS A 43 11.675 3.263 2.831 1.00 33.23 C ATOM 684 CE LYS A 43 12.100 4.663 3.312 1.00 71.20 C ATOM 685 NZ LYS A 43 12.166 4.759 4.796 1.00 4.14 N ATOM 0 H LYS A 43 7.736 3.690 4.998 1.00 23.43 H new ATOM 0 HA LYS A 43 9.688 5.388 3.918 1.00 14.53 H new ATOM 0 HB2 LYS A 43 8.189 2.940 2.912 1.00 65.41 H new ATOM 0 HB3 LYS A 43 9.225 3.816 1.803 1.00 65.41 H new ATOM 0 HG2 LYS A 43 10.311 2.792 4.448 1.00 51.11 H new ATOM 0 HG3 LYS A 43 10.167 1.724 3.065 1.00 51.11 H new ATOM 0 HD2 LYS A 43 12.440 2.547 3.131 1.00 33.23 H new ATOM 0 HD3 LYS A 43 11.649 3.264 1.741 1.00 33.23 H new ATOM 0 HE2 LYS A 43 13.075 4.908 2.891 1.00 71.20 H new ATOM 0 HE3 LYS A 43 11.395 5.403 2.934 1.00 71.20 H new ATOM 0 HZ1 LYS A 43 11.867 5.709 5.096 1.00 4.14 H new ATOM 0 HZ2 LYS A 43 11.535 4.048 5.218 1.00 4.14 H new ATOM 0 HZ3 LYS A 43 13.142 4.587 5.112 1.00 4.14 H new ATOM 699 N ALA A 44 6.696 5.693 2.538 1.00 74.31 N ATOM 700 CA ALA A 44 5.838 6.542 1.704 1.00 15.53 C ATOM 701 C ALA A 44 5.581 7.897 2.384 1.00 30.11 C ATOM 702 O ALA A 44 5.341 8.896 1.703 1.00 24.23 O ATOM 703 CB ALA A 44 4.538 5.816 1.376 1.00 45.42 C ATOM 0 H ALA A 44 6.196 4.933 2.999 1.00 74.31 H new ATOM 0 HA ALA A 44 6.352 6.747 0.765 1.00 15.53 H new ATOM 0 HB1 ALA A 44 3.910 6.456 0.757 1.00 45.42 H new ATOM 0 HB2 ALA A 44 4.761 4.896 0.836 1.00 45.42 H new ATOM 0 HB3 ALA A 44 4.012 5.576 2.300 1.00 45.42 H new ATOM 709 N ALA A 45 5.617 7.910 3.729 1.00 0.13 N ATOM 710 CA ALA A 45 5.510 9.154 4.522 1.00 21.23 C ATOM 711 C ALA A 45 6.754 10.050 4.326 1.00 10.04 C ATOM 712 O ALA A 45 6.654 11.282 4.402 1.00 42.54 O ATOM 713 CB ALA A 45 5.286 8.834 6.004 1.00 50.12 C ATOM 0 H ALA A 45 5.720 7.068 4.295 1.00 0.13 H new ATOM 0 HA ALA A 45 4.645 9.710 4.162 1.00 21.23 H new ATOM 0 HB1 ALA A 45 5.210 9.763 6.569 1.00 50.12 H new ATOM 0 HB2 ALA A 45 4.364 8.264 6.118 1.00 50.12 H new ATOM 0 HB3 ALA A 45 6.124 8.248 6.380 1.00 50.12 H new ATOM 719 N ASP A 46 7.924 9.410 4.074 1.00 50.32 N ATOM 720 CA ASP A 46 9.176 10.108 3.663 1.00 73.41 C ATOM 721 C ASP A 46 8.993 10.820 2.306 1.00 33.01 C ATOM 722 O ASP A 46 9.647 11.830 2.022 1.00 14.40 O ATOM 723 CB ASP A 46 10.384 9.131 3.564 1.00 1.41 C ATOM 724 CG ASP A 46 10.840 8.580 4.927 1.00 12.40 C ATOM 725 OD1 ASP A 46 11.281 9.388 5.780 1.00 20.13 O ATOM 726 OD2 ASP A 46 10.797 7.347 5.142 1.00 12.34 O ATOM 0 H ASP A 46 8.029 8.398 4.149 1.00 50.32 H new ATOM 0 HA ASP A 46 9.388 10.845 4.438 1.00 73.41 H new ATOM 0 HB2 ASP A 46 10.115 8.297 2.915 1.00 1.41 H new ATOM 0 HB3 ASP A 46 11.220 9.646 3.091 1.00 1.41 H new ATOM 731 N LYS A 47 8.139 10.235 1.450 1.00 14.42 N ATOM 732 CA LYS A 47 7.823 10.782 0.113 1.00 51.13 C ATOM 733 C LYS A 47 6.873 11.983 0.230 1.00 11.20 C ATOM 734 O LYS A 47 7.007 12.958 -0.520 1.00 70.02 O ATOM 735 CB LYS A 47 7.202 9.684 -0.787 1.00 33.34 C ATOM 736 CG LYS A 47 8.026 8.387 -0.846 1.00 35.54 C ATOM 737 CD LYS A 47 9.433 8.566 -1.448 1.00 11.25 C ATOM 738 CE LYS A 47 10.212 7.249 -1.471 1.00 1.54 C ATOM 739 NZ LYS A 47 11.530 7.422 -2.127 1.00 14.20 N ATOM 0 H LYS A 47 7.646 9.368 1.663 1.00 14.42 H new ATOM 0 HA LYS A 47 8.750 11.123 -0.347 1.00 51.13 H new ATOM 0 HB2 LYS A 47 6.202 9.451 -0.422 1.00 33.34 H new ATOM 0 HB3 LYS A 47 7.089 10.077 -1.797 1.00 33.34 H new ATOM 0 HG2 LYS A 47 8.122 7.983 0.162 1.00 35.54 H new ATOM 0 HG3 LYS A 47 7.481 7.649 -1.435 1.00 35.54 H new ATOM 0 HD2 LYS A 47 9.348 8.956 -2.462 1.00 11.25 H new ATOM 0 HD3 LYS A 47 9.985 9.305 -0.868 1.00 11.25 H new ATOM 0 HE2 LYS A 47 10.354 6.888 -0.452 1.00 1.54 H new ATOM 0 HE3 LYS A 47 9.635 6.491 -2.000 1.00 1.54 H new ATOM 0 HZ1 LYS A 47 11.748 6.579 -2.695 1.00 14.20 H new ATOM 0 HZ2 LYS A 47 11.503 8.258 -2.745 1.00 14.20 H new ATOM 0 HZ3 LYS A 47 12.264 7.551 -1.402 1.00 14.20 H new ATOM 753 N ILE A 48 5.903 11.900 1.177 1.00 21.11 N ATOM 754 CA ILE A 48 4.967 13.012 1.465 1.00 32.15 C ATOM 755 C ILE A 48 5.763 14.210 2.040 1.00 3.23 C ATOM 756 O ILE A 48 5.442 15.370 1.785 1.00 51.14 O ATOM 757 CB ILE A 48 3.825 12.628 2.496 1.00 71.22 C ATOM 758 CG1 ILE A 48 3.173 11.230 2.196 1.00 35.41 C ATOM 759 CG2 ILE A 48 2.742 13.746 2.546 1.00 11.43 C ATOM 760 CD1 ILE A 48 2.436 11.096 0.881 1.00 25.14 C ATOM 0 H ILE A 48 5.751 11.072 1.753 1.00 21.11 H new ATOM 0 HA ILE A 48 4.482 13.262 0.522 1.00 32.15 H new ATOM 0 HB ILE A 48 4.297 12.543 3.475 1.00 71.22 H new ATOM 0 HG12 ILE A 48 3.958 10.474 2.226 1.00 35.41 H new ATOM 0 HG13 ILE A 48 2.477 10.998 3.002 1.00 35.41 H new ATOM 0 HG21 ILE A 48 1.965 13.468 3.258 1.00 11.43 H new ATOM 0 HG22 ILE A 48 3.201 14.684 2.858 1.00 11.43 H new ATOM 0 HG23 ILE A 48 2.301 13.870 1.557 1.00 11.43 H new ATOM 0 HD11 ILE A 48 2.032 10.088 0.791 1.00 25.14 H new ATOM 0 HD12 ILE A 48 1.620 11.818 0.846 1.00 25.14 H new ATOM 0 HD13 ILE A 48 3.124 11.286 0.057 1.00 25.14 H new ATOM 772 N LYS A 49 6.824 13.868 2.806 1.00 61.34 N ATOM 773 CA LYS A 49 7.765 14.821 3.434 1.00 31.14 C ATOM 774 C LYS A 49 8.427 15.749 2.383 1.00 65.13 C ATOM 775 O LYS A 49 8.781 16.891 2.703 1.00 21.31 O ATOM 776 CB LYS A 49 8.825 14.016 4.227 1.00 74.33 C ATOM 777 CG LYS A 49 9.915 14.833 4.963 1.00 2.01 C ATOM 778 CD LYS A 49 10.971 13.911 5.630 1.00 1.12 C ATOM 779 CE LYS A 49 11.704 13.012 4.610 1.00 55.40 C ATOM 780 NZ LYS A 49 12.652 12.060 5.264 1.00 1.34 N ATOM 0 H LYS A 49 7.055 12.895 3.009 1.00 61.34 H new ATOM 0 HA LYS A 49 7.217 15.473 4.115 1.00 31.14 H new ATOM 0 HB2 LYS A 49 8.305 13.403 4.963 1.00 74.33 H new ATOM 0 HB3 LYS A 49 9.320 13.334 3.536 1.00 74.33 H new ATOM 0 HG2 LYS A 49 10.409 15.500 4.257 1.00 2.01 H new ATOM 0 HG3 LYS A 49 9.449 15.461 5.722 1.00 2.01 H new ATOM 0 HD2 LYS A 49 11.701 14.524 6.159 1.00 1.12 H new ATOM 0 HD3 LYS A 49 10.482 13.284 6.375 1.00 1.12 H new ATOM 0 HE2 LYS A 49 10.970 12.450 4.033 1.00 55.40 H new ATOM 0 HE3 LYS A 49 12.251 13.639 3.906 1.00 55.40 H new ATOM 0 HZ1 LYS A 49 13.477 11.913 4.648 1.00 1.34 H new ATOM 0 HZ2 LYS A 49 12.965 12.453 6.175 1.00 1.34 H new ATOM 0 HZ3 LYS A 49 12.174 11.150 5.425 1.00 1.34 H new ATOM 794 N LYS A 50 8.583 15.246 1.142 1.00 73.11 N ATOM 795 CA LYS A 50 9.123 16.047 0.024 1.00 12.34 C ATOM 796 C LYS A 50 8.101 17.122 -0.422 1.00 52.21 C ATOM 797 O LYS A 50 8.435 18.313 -0.481 1.00 1.54 O ATOM 798 CB LYS A 50 9.500 15.125 -1.178 1.00 74.45 C ATOM 799 CG LYS A 50 10.549 14.039 -0.838 1.00 51.53 C ATOM 800 CD LYS A 50 11.042 13.262 -2.087 1.00 53.23 C ATOM 801 CE LYS A 50 12.140 12.244 -1.752 1.00 75.25 C ATOM 802 NZ LYS A 50 12.711 11.614 -2.973 1.00 42.51 N ATOM 0 H LYS A 50 8.343 14.288 0.888 1.00 73.11 H new ATOM 0 HA LYS A 50 10.025 16.552 0.371 1.00 12.34 H new ATOM 0 HB2 LYS A 50 8.596 14.639 -1.546 1.00 74.45 H new ATOM 0 HB3 LYS A 50 9.883 15.743 -1.990 1.00 74.45 H new ATOM 0 HG2 LYS A 50 11.403 14.507 -0.347 1.00 51.53 H new ATOM 0 HG3 LYS A 50 10.118 13.335 -0.126 1.00 51.53 H new ATOM 0 HD2 LYS A 50 10.199 12.744 -2.545 1.00 53.23 H new ATOM 0 HD3 LYS A 50 11.420 13.970 -2.825 1.00 53.23 H new ATOM 0 HE2 LYS A 50 12.935 12.739 -1.195 1.00 75.25 H new ATOM 0 HE3 LYS A 50 11.730 11.470 -1.103 1.00 75.25 H new ATOM 0 HZ1 LYS A 50 13.375 10.862 -2.698 1.00 42.51 H new ATOM 0 HZ2 LYS A 50 11.944 11.206 -3.544 1.00 42.51 H new ATOM 0 HZ3 LYS A 50 13.214 12.333 -3.532 1.00 42.51 H new ATOM 816 N GLN A 51 6.846 16.695 -0.697 1.00 32.53 N ATOM 817 CA GLN A 51 5.743 17.600 -1.122 1.00 63.32 C ATOM 818 C GLN A 51 4.386 17.090 -0.591 1.00 75.11 C ATOM 819 O GLN A 51 3.831 17.668 0.353 1.00 42.05 O ATOM 820 CB GLN A 51 5.674 17.768 -2.676 1.00 24.34 C ATOM 821 CG GLN A 51 6.823 18.582 -3.319 1.00 71.33 C ATOM 822 CD GLN A 51 6.615 18.878 -4.808 1.00 31.11 C ATOM 823 OE1 GLN A 51 5.973 18.112 -5.533 1.00 64.12 O ATOM 824 NE2 GLN A 51 7.169 19.986 -5.282 1.00 51.51 N ATOM 0 H GLN A 51 6.566 15.716 -0.632 1.00 32.53 H new ATOM 0 HA GLN A 51 5.958 18.579 -0.693 1.00 63.32 H new ATOM 0 HB2 GLN A 51 5.659 16.777 -3.129 1.00 24.34 H new ATOM 0 HB3 GLN A 51 4.729 18.248 -2.929 1.00 24.34 H new ATOM 0 HG2 GLN A 51 6.932 19.525 -2.783 1.00 71.33 H new ATOM 0 HG3 GLN A 51 7.757 18.035 -3.194 1.00 71.33 H new ATOM 0 HE21 GLN A 51 7.694 20.600 -4.660 1.00 51.51 H new ATOM 0 HE22 GLN A 51 7.070 20.224 -6.269 1.00 51.51 H new ATOM 833 N GLY A 52 3.870 15.984 -1.165 1.00 1.30 N ATOM 834 CA GLY A 52 2.539 15.489 -0.793 1.00 13.11 C ATOM 835 C GLY A 52 2.147 14.192 -1.490 1.00 32.24 C ATOM 836 O GLY A 52 1.306 13.462 -0.966 1.00 41.22 O ATOM 0 H GLY A 52 4.348 15.429 -1.875 1.00 1.30 H new ATOM 0 HA2 GLY A 52 2.508 15.334 0.286 1.00 13.11 H new ATOM 0 HA3 GLY A 52 1.799 16.254 -1.027 1.00 13.11 H new ATOM 840 N CYS A 53 2.740 13.943 -2.687 1.00 33.14 N ATOM 841 CA CYS A 53 2.540 12.710 -3.491 1.00 33.11 C ATOM 842 C CYS A 53 1.058 12.502 -3.858 1.00 2.23 C ATOM 843 O CYS A 53 0.296 11.879 -3.106 1.00 22.30 O ATOM 844 CB CYS A 53 3.116 11.461 -2.776 1.00 21.12 C ATOM 845 SG CYS A 53 4.824 11.661 -2.266 1.00 54.43 S ATOM 0 H CYS A 53 3.380 14.604 -3.127 1.00 33.14 H new ATOM 0 HA CYS A 53 3.094 12.845 -4.420 1.00 33.11 H new ATOM 0 HB2 CYS A 53 2.506 11.239 -1.900 1.00 21.12 H new ATOM 0 HB3 CYS A 53 3.041 10.602 -3.443 1.00 21.12 H new ATOM 0 HG CYS A 53 5.002 12.864 -1.808 1.00 54.43 H new ATOM 851 N LYS A 54 0.660 13.023 -5.027 1.00 34.10 N ATOM 852 CA LYS A 54 -0.738 12.995 -5.493 1.00 21.51 C ATOM 853 C LYS A 54 -1.105 11.659 -6.151 1.00 41.23 C ATOM 854 O LYS A 54 -2.228 11.506 -6.653 1.00 41.10 O ATOM 855 CB LYS A 54 -1.000 14.201 -6.440 1.00 64.15 C ATOM 856 CG LYS A 54 -0.813 15.578 -5.750 1.00 53.23 C ATOM 857 CD LYS A 54 -1.094 16.802 -6.661 1.00 51.53 C ATOM 858 CE LYS A 54 -2.572 16.962 -7.086 1.00 32.12 C ATOM 859 NZ LYS A 54 -3.014 15.955 -8.101 1.00 25.20 N ATOM 0 H LYS A 54 1.299 13.478 -5.680 1.00 34.10 H new ATOM 0 HA LYS A 54 -1.389 13.087 -4.624 1.00 21.51 H new ATOM 0 HB2 LYS A 54 -0.326 14.136 -7.294 1.00 64.15 H new ATOM 0 HB3 LYS A 54 -2.016 14.133 -6.830 1.00 64.15 H new ATOM 0 HG2 LYS A 54 -1.473 15.628 -4.884 1.00 53.23 H new ATOM 0 HG3 LYS A 54 0.209 15.647 -5.377 1.00 53.23 H new ATOM 0 HD2 LYS A 54 -0.780 17.706 -6.140 1.00 51.53 H new ATOM 0 HD3 LYS A 54 -0.479 16.720 -7.557 1.00 51.53 H new ATOM 0 HE2 LYS A 54 -3.206 16.879 -6.204 1.00 32.12 H new ATOM 0 HE3 LYS A 54 -2.719 17.963 -7.491 1.00 32.12 H new ATOM 0 HZ1 LYS A 54 -3.543 16.434 -8.858 1.00 25.20 H new ATOM 0 HZ2 LYS A 54 -2.181 15.482 -8.506 1.00 25.20 H new ATOM 0 HZ3 LYS A 54 -3.626 15.248 -7.645 1.00 25.20 H new ATOM 873 N ARG A 55 -0.179 10.678 -6.106 1.00 63.54 N ATOM 874 CA ARG A 55 -0.385 9.365 -6.710 1.00 44.34 C ATOM 875 C ARG A 55 0.505 8.306 -6.038 1.00 31.23 C ATOM 876 O ARG A 55 1.729 8.365 -6.079 1.00 74.43 O ATOM 877 CB ARG A 55 -0.117 9.451 -8.238 1.00 71.11 C ATOM 878 CG ARG A 55 -0.260 8.121 -9.017 1.00 51.02 C ATOM 879 CD ARG A 55 -0.166 8.342 -10.541 1.00 2.15 C ATOM 880 NE ARG A 55 1.033 9.117 -10.916 1.00 60.22 N ATOM 881 CZ ARG A 55 1.163 9.860 -12.040 1.00 51.01 C ATOM 882 NH1 ARG A 55 0.179 9.938 -12.927 1.00 14.01 N ATOM 883 NH2 ARG A 55 2.286 10.533 -12.253 1.00 1.51 N ATOM 0 H ARG A 55 0.727 10.783 -5.649 1.00 63.54 H new ATOM 0 HA ARG A 55 -1.419 9.057 -6.556 1.00 44.34 H new ATOM 0 HB2 ARG A 55 -0.804 10.180 -8.669 1.00 71.11 H new ATOM 0 HB3 ARG A 55 0.892 9.834 -8.391 1.00 71.11 H new ATOM 0 HG2 ARG A 55 0.519 7.428 -8.701 1.00 51.02 H new ATOM 0 HG3 ARG A 55 -1.216 7.658 -8.774 1.00 51.02 H new ATOM 0 HD2 ARG A 55 -0.146 7.376 -11.046 1.00 2.15 H new ATOM 0 HD3 ARG A 55 -1.058 8.864 -10.887 1.00 2.15 H new ATOM 0 HE ARG A 55 1.827 9.091 -10.277 1.00 60.22 H new ATOM 0 HH11 ARG A 55 -0.693 9.433 -12.767 1.00 14.01 H new ATOM 0 HH12 ARG A 55 0.294 10.503 -13.768 1.00 14.01 H new ATOM 0 HH21 ARG A 55 3.044 10.488 -11.572 1.00 1.51 H new ATOM 0 HH22 ARG A 55 2.391 11.095 -13.098 1.00 1.51 H new ATOM 897 N VAL A 56 -0.156 7.350 -5.395 1.00 34.10 N ATOM 898 CA VAL A 56 0.441 6.119 -4.866 1.00 71.15 C ATOM 899 C VAL A 56 -0.362 4.967 -5.480 1.00 43.40 C ATOM 900 O VAL A 56 -1.582 5.070 -5.604 1.00 54.41 O ATOM 901 CB VAL A 56 0.370 6.059 -3.287 1.00 4.42 C ATOM 902 CG1 VAL A 56 0.894 4.710 -2.734 1.00 11.21 C ATOM 903 CG2 VAL A 56 1.114 7.258 -2.648 1.00 0.34 C ATOM 0 H VAL A 56 -1.159 7.409 -5.219 1.00 34.10 H new ATOM 0 HA VAL A 56 1.499 6.065 -5.123 1.00 71.15 H new ATOM 0 HB VAL A 56 -0.681 6.131 -3.008 1.00 4.42 H new ATOM 0 HG11 VAL A 56 0.827 4.712 -1.646 1.00 11.21 H new ATOM 0 HG12 VAL A 56 0.291 3.894 -3.133 1.00 11.21 H new ATOM 0 HG13 VAL A 56 1.933 4.573 -3.033 1.00 11.21 H new ATOM 0 HG21 VAL A 56 1.048 7.190 -1.562 1.00 0.34 H new ATOM 0 HG22 VAL A 56 2.161 7.239 -2.950 1.00 0.34 H new ATOM 0 HG23 VAL A 56 0.657 8.190 -2.982 1.00 0.34 H new ATOM 913 N LYS A 57 0.316 3.904 -5.907 1.00 64.53 N ATOM 914 CA LYS A 57 -0.324 2.754 -6.566 1.00 24.13 C ATOM 915 C LYS A 57 0.148 1.466 -5.889 1.00 34.45 C ATOM 916 O LYS A 57 1.326 1.158 -5.898 1.00 22.30 O ATOM 917 CB LYS A 57 0.023 2.730 -8.085 1.00 5.44 C ATOM 918 CG LYS A 57 -0.435 3.987 -8.863 1.00 3.33 C ATOM 919 CD LYS A 57 -0.133 3.901 -10.374 1.00 13.11 C ATOM 920 CE LYS A 57 -0.878 2.758 -11.074 1.00 3.32 C ATOM 921 NZ LYS A 57 -2.351 2.881 -10.924 1.00 1.14 N ATOM 0 H LYS A 57 1.327 3.810 -5.808 1.00 64.53 H new ATOM 0 HA LYS A 57 -1.407 2.839 -6.471 1.00 24.13 H new ATOM 0 HB2 LYS A 57 1.102 2.620 -8.198 1.00 5.44 H new ATOM 0 HB3 LYS A 57 -0.436 1.850 -8.537 1.00 5.44 H new ATOM 0 HG2 LYS A 57 -1.506 4.127 -8.719 1.00 3.33 H new ATOM 0 HG3 LYS A 57 0.060 4.865 -8.448 1.00 3.33 H new ATOM 0 HD2 LYS A 57 -0.403 4.845 -10.846 1.00 13.11 H new ATOM 0 HD3 LYS A 57 0.939 3.768 -10.517 1.00 13.11 H new ATOM 0 HE2 LYS A 57 -0.620 2.752 -12.133 1.00 3.32 H new ATOM 0 HE3 LYS A 57 -0.550 1.804 -10.661 1.00 3.32 H new ATOM 0 HZ1 LYS A 57 -2.811 2.671 -11.833 1.00 1.14 H new ATOM 0 HZ2 LYS A 57 -2.684 2.209 -10.204 1.00 1.14 H new ATOM 0 HZ3 LYS A 57 -2.590 3.850 -10.630 1.00 1.14 H new ATOM 935 N ILE A 58 -0.784 0.729 -5.303 1.00 14.42 N ATOM 936 CA ILE A 58 -0.519 -0.582 -4.704 1.00 31.32 C ATOM 937 C ILE A 58 -0.963 -1.620 -5.733 1.00 52.44 C ATOM 938 O ILE A 58 -2.104 -1.606 -6.152 1.00 71.43 O ATOM 939 CB ILE A 58 -1.322 -0.752 -3.353 1.00 20.01 C ATOM 940 CG1 ILE A 58 -0.787 0.251 -2.277 1.00 11.44 C ATOM 941 CG2 ILE A 58 -1.317 -2.219 -2.844 1.00 2.13 C ATOM 942 CD1 ILE A 58 -1.594 0.309 -0.985 1.00 74.42 C ATOM 0 H ILE A 58 -1.758 1.023 -5.226 1.00 14.42 H new ATOM 0 HA ILE A 58 0.537 -0.698 -4.459 1.00 31.32 H new ATOM 0 HB ILE A 58 -2.367 -0.511 -3.550 1.00 20.01 H new ATOM 0 HG12 ILE A 58 0.241 -0.017 -2.033 1.00 11.44 H new ATOM 0 HG13 ILE A 58 -0.760 1.249 -2.715 1.00 11.44 H new ATOM 0 HG21 ILE A 58 -1.881 -2.283 -1.914 1.00 2.13 H new ATOM 0 HG22 ILE A 58 -1.776 -2.865 -3.592 1.00 2.13 H new ATOM 0 HG23 ILE A 58 -0.290 -2.540 -2.668 1.00 2.13 H new ATOM 0 HD11 ILE A 58 -1.142 1.032 -0.306 1.00 74.42 H new ATOM 0 HD12 ILE A 58 -2.617 0.611 -1.208 1.00 74.42 H new ATOM 0 HD13 ILE A 58 -1.600 -0.675 -0.516 1.00 74.42 H new ATOM 954 N ARG A 59 -0.028 -2.447 -6.204 1.00 32.01 N ATOM 955 CA ARG A 59 -0.321 -3.559 -7.133 1.00 63.30 C ATOM 956 C ARG A 59 -0.028 -4.878 -6.425 1.00 15.35 C ATOM 957 O ARG A 59 0.887 -4.963 -5.605 1.00 1.42 O ATOM 958 CB ARG A 59 0.521 -3.446 -8.434 1.00 75.33 C ATOM 959 CG ARG A 59 0.226 -2.183 -9.272 1.00 64.03 C ATOM 960 CD ARG A 59 1.005 -2.166 -10.600 1.00 55.23 C ATOM 961 NE ARG A 59 0.633 -1.019 -11.459 1.00 73.30 N ATOM 962 CZ ARG A 59 1.510 -0.226 -12.103 1.00 44.44 C ATOM 963 NH1 ARG A 59 2.817 -0.427 -11.985 1.00 13.34 N ATOM 964 NH2 ARG A 59 1.082 0.747 -12.902 1.00 25.44 N ATOM 0 H ARG A 59 0.958 -2.371 -5.956 1.00 32.01 H new ATOM 0 HA ARG A 59 -1.371 -3.514 -7.421 1.00 63.30 H new ATOM 0 HB2 ARG A 59 1.579 -3.455 -8.171 1.00 75.33 H new ATOM 0 HB3 ARG A 59 0.338 -4.327 -9.049 1.00 75.33 H new ATOM 0 HG2 ARG A 59 -0.843 -2.129 -9.480 1.00 64.03 H new ATOM 0 HG3 ARG A 59 0.483 -1.297 -8.692 1.00 64.03 H new ATOM 0 HD2 ARG A 59 2.074 -2.128 -10.390 1.00 55.23 H new ATOM 0 HD3 ARG A 59 0.819 -3.095 -11.139 1.00 55.23 H new ATOM 0 HE ARG A 59 -0.360 -0.815 -11.571 1.00 73.30 H new ATOM 0 HH11 ARG A 59 3.165 -1.188 -11.402 1.00 13.34 H new ATOM 0 HH12 ARG A 59 3.473 0.180 -12.477 1.00 13.34 H new ATOM 0 HH21 ARG A 59 0.082 0.898 -13.031 1.00 25.44 H new ATOM 0 HH22 ARG A 59 1.754 1.343 -13.386 1.00 25.44 H new ATOM 978 N PHE A 60 -0.819 -5.897 -6.750 1.00 72.24 N ATOM 979 CA PHE A 60 -0.722 -7.219 -6.140 1.00 22.32 C ATOM 980 C PHE A 60 -1.244 -8.256 -7.142 1.00 41.23 C ATOM 981 O PHE A 60 -2.287 -8.052 -7.764 1.00 73.41 O ATOM 982 CB PHE A 60 -1.542 -7.219 -4.817 1.00 23.34 C ATOM 983 CG PHE A 60 -1.762 -8.595 -4.185 1.00 14.45 C ATOM 984 CD1 PHE A 60 -0.696 -9.312 -3.673 1.00 50.42 C ATOM 985 CD2 PHE A 60 -3.034 -9.169 -4.119 1.00 61.43 C ATOM 986 CE1 PHE A 60 -0.881 -10.552 -3.108 1.00 5.22 C ATOM 987 CE2 PHE A 60 -3.223 -10.411 -3.556 1.00 54.43 C ATOM 988 CZ PHE A 60 -2.144 -11.105 -3.050 1.00 71.11 C ATOM 0 H PHE A 60 -1.554 -5.826 -7.453 1.00 72.24 H new ATOM 0 HA PHE A 60 0.309 -7.473 -5.895 1.00 22.32 H new ATOM 0 HB2 PHE A 60 -1.033 -6.582 -4.093 1.00 23.34 H new ATOM 0 HB3 PHE A 60 -2.515 -6.767 -5.011 1.00 23.34 H new ATOM 0 HD1 PHE A 60 0.298 -8.891 -3.718 1.00 50.42 H new ATOM 0 HD2 PHE A 60 -3.882 -8.630 -4.516 1.00 61.43 H new ATOM 0 HE1 PHE A 60 -0.036 -11.094 -2.709 1.00 5.22 H new ATOM 0 HE2 PHE A 60 -4.213 -10.840 -3.511 1.00 54.43 H new ATOM 0 HZ PHE A 60 -2.287 -12.080 -2.609 1.00 71.11 H new ATOM 998 N GLU A 61 -0.527 -9.374 -7.253 1.00 62.32 N ATOM 999 CA GLU A 61 -0.838 -10.458 -8.188 1.00 31.20 C ATOM 1000 C GLU A 61 -1.816 -11.415 -7.532 1.00 21.03 C ATOM 1001 O GLU A 61 -1.457 -12.133 -6.589 1.00 60.53 O ATOM 1002 CB GLU A 61 0.457 -11.191 -8.604 1.00 43.02 C ATOM 1003 CG GLU A 61 1.459 -10.307 -9.372 1.00 15.40 C ATOM 1004 CD GLU A 61 0.897 -9.796 -10.705 1.00 62.32 C ATOM 1005 OE1 GLU A 61 0.832 -10.590 -11.665 1.00 12.34 O ATOM 1006 OE2 GLU A 61 0.504 -8.617 -10.799 1.00 41.22 O ATOM 0 H GLU A 61 0.301 -9.556 -6.686 1.00 62.32 H new ATOM 0 HA GLU A 61 -1.294 -10.048 -9.089 1.00 31.20 H new ATOM 0 HB2 GLU A 61 0.944 -11.582 -7.711 1.00 43.02 H new ATOM 0 HB3 GLU A 61 0.194 -12.048 -9.225 1.00 43.02 H new ATOM 0 HG2 GLU A 61 1.738 -9.456 -8.750 1.00 15.40 H new ATOM 0 HG3 GLU A 61 2.369 -10.876 -9.560 1.00 15.40 H new ATOM 1013 N LYS A 62 -3.060 -11.413 -8.030 1.00 21.44 N ATOM 1014 CA LYS A 62 -4.113 -12.282 -7.508 1.00 44.50 C ATOM 1015 C LYS A 62 -4.181 -13.617 -8.293 1.00 61.20 C ATOM 1016 O LYS A 62 -5.115 -14.414 -8.123 1.00 34.44 O ATOM 1017 CB LYS A 62 -5.490 -11.552 -7.511 1.00 10.40 C ATOM 1018 CG LYS A 62 -6.463 -12.136 -6.453 1.00 41.22 C ATOM 1019 CD LYS A 62 -7.924 -12.258 -6.903 1.00 15.03 C ATOM 1020 CE LYS A 62 -8.124 -13.138 -8.141 1.00 64.12 C ATOM 1021 NZ LYS A 62 -9.575 -13.290 -8.457 1.00 40.10 N ATOM 0 H LYS A 62 -3.359 -10.813 -8.799 1.00 21.44 H new ATOM 0 HA LYS A 62 -3.866 -12.523 -6.474 1.00 44.50 H new ATOM 0 HB2 LYS A 62 -5.337 -10.491 -7.316 1.00 10.40 H new ATOM 0 HB3 LYS A 62 -5.940 -11.632 -8.500 1.00 10.40 H new ATOM 0 HG2 LYS A 62 -6.106 -13.124 -6.161 1.00 41.22 H new ATOM 0 HG3 LYS A 62 -6.425 -11.508 -5.563 1.00 41.22 H new ATOM 0 HD2 LYS A 62 -8.514 -12.665 -6.082 1.00 15.03 H new ATOM 0 HD3 LYS A 62 -8.313 -11.262 -7.112 1.00 15.03 H new ATOM 0 HE2 LYS A 62 -7.606 -12.697 -8.993 1.00 64.12 H new ATOM 0 HE3 LYS A 62 -7.680 -14.119 -7.971 1.00 64.12 H new ATOM 0 HZ1 LYS A 62 -9.682 -13.697 -9.408 1.00 40.10 H new ATOM 0 HZ2 LYS A 62 -10.018 -13.921 -7.759 1.00 40.10 H new ATOM 0 HZ3 LYS A 62 -10.037 -12.359 -8.425 1.00 40.10 H new ATOM 1035 N LYS A 63 -3.162 -13.876 -9.125 1.00 31.23 N ATOM 1036 CA LYS A 63 -3.110 -15.063 -9.980 1.00 73.20 C ATOM 1037 C LYS A 63 -2.842 -16.321 -9.141 1.00 42.41 C ATOM 1038 O LYS A 63 -1.745 -16.481 -8.594 1.00 23.42 O ATOM 1039 CB LYS A 63 -2.035 -14.876 -11.086 1.00 61.32 C ATOM 1040 CG LYS A 63 -2.292 -13.662 -12.006 1.00 2.13 C ATOM 1041 CD LYS A 63 -3.654 -13.746 -12.734 1.00 30.21 C ATOM 1042 CE LYS A 63 -3.866 -12.601 -13.733 1.00 35.31 C ATOM 1043 NZ LYS A 63 -2.840 -12.599 -14.812 1.00 24.22 N ATOM 0 H LYS A 63 -2.351 -13.265 -9.222 1.00 31.23 H new ATOM 0 HA LYS A 63 -4.076 -15.193 -10.467 1.00 73.20 H new ATOM 0 HB2 LYS A 63 -1.058 -14.763 -10.615 1.00 61.32 H new ATOM 0 HB3 LYS A 63 -1.993 -15.779 -11.695 1.00 61.32 H new ATOM 0 HG2 LYS A 63 -2.257 -12.748 -11.414 1.00 2.13 H new ATOM 0 HG3 LYS A 63 -1.493 -13.595 -12.744 1.00 2.13 H new ATOM 0 HD2 LYS A 63 -3.721 -14.698 -13.260 1.00 30.21 H new ATOM 0 HD3 LYS A 63 -4.456 -13.732 -11.996 1.00 30.21 H new ATOM 0 HE2 LYS A 63 -4.858 -12.687 -14.177 1.00 35.31 H new ATOM 0 HE3 LYS A 63 -3.836 -11.649 -13.203 1.00 35.31 H new ATOM 0 HZ1 LYS A 63 -3.124 -11.934 -15.560 1.00 24.22 H new ATOM 0 HZ2 LYS A 63 -1.923 -12.306 -14.418 1.00 24.22 H new ATOM 0 HZ3 LYS A 63 -2.756 -13.555 -15.212 1.00 24.22 H new ATOM 1057 N GLY A 64 -3.880 -17.169 -9.012 1.00 3.33 N ATOM 1058 CA GLY A 64 -3.760 -18.483 -8.386 1.00 20.31 C ATOM 1059 C GLY A 64 -3.505 -18.425 -6.884 1.00 53.33 C ATOM 1060 O GLY A 64 -2.403 -18.749 -6.422 1.00 34.34 O ATOM 0 H GLY A 64 -4.821 -16.955 -9.341 1.00 3.33 H new ATOM 0 HA2 GLY A 64 -4.674 -19.048 -8.569 1.00 20.31 H new ATOM 0 HA3 GLY A 64 -2.947 -19.030 -8.863 1.00 20.31 H new ATOM 1064 N LEU A 65 -4.517 -17.969 -6.129 1.00 31.20 N ATOM 1065 CA LEU A 65 -4.498 -17.981 -4.651 1.00 75.15 C ATOM 1066 C LEU A 65 -5.902 -18.244 -4.086 1.00 23.14 C ATOM 1067 O LEU A 65 -6.889 -18.232 -4.835 1.00 33.14 O ATOM 1068 CB LEU A 65 -3.896 -16.641 -4.106 1.00 51.10 C ATOM 1069 CG LEU A 65 -4.425 -15.290 -4.732 1.00 62.30 C ATOM 1070 CD1 LEU A 65 -5.834 -14.908 -4.244 1.00 73.51 C ATOM 1071 CD2 LEU A 65 -3.441 -14.132 -4.485 1.00 24.25 C ATOM 0 H LEU A 65 -5.374 -17.581 -6.523 1.00 31.20 H new ATOM 0 HA LEU A 65 -3.858 -18.797 -4.316 1.00 75.15 H new ATOM 0 HB2 LEU A 65 -4.075 -16.605 -3.031 1.00 51.10 H new ATOM 0 HB3 LEU A 65 -2.816 -16.676 -4.248 1.00 51.10 H new ATOM 0 HG LEU A 65 -4.497 -15.469 -5.805 1.00 62.30 H new ATOM 0 HD11 LEU A 65 -6.139 -13.971 -4.711 1.00 73.51 H new ATOM 0 HD12 LEU A 65 -6.538 -15.695 -4.515 1.00 73.51 H new ATOM 0 HD13 LEU A 65 -5.824 -14.787 -3.161 1.00 73.51 H new ATOM 0 HD21 LEU A 65 -3.836 -13.218 -4.929 1.00 24.25 H new ATOM 0 HD22 LEU A 65 -3.311 -13.988 -3.412 1.00 24.25 H new ATOM 0 HD23 LEU A 65 -2.479 -14.369 -4.939 1.00 24.25 H new ATOM 1083 N ASP A 66 -5.979 -18.491 -2.764 1.00 51.02 N ATOM 1084 CA ASP A 66 -7.257 -18.572 -2.031 1.00 5.55 C ATOM 1085 C ASP A 66 -7.909 -17.187 -1.991 1.00 33.32 C ATOM 1086 O ASP A 66 -7.213 -16.187 -1.816 1.00 31.24 O ATOM 1087 CB ASP A 66 -7.023 -19.052 -0.578 1.00 42.33 C ATOM 1088 CG ASP A 66 -6.215 -20.356 -0.502 1.00 71.43 C ATOM 1089 OD1 ASP A 66 -6.811 -21.447 -0.609 1.00 30.13 O ATOM 1090 OD2 ASP A 66 -4.974 -20.286 -0.345 1.00 33.51 O ATOM 0 H ASP A 66 -5.159 -18.640 -2.176 1.00 51.02 H new ATOM 0 HA ASP A 66 -7.905 -19.283 -2.544 1.00 5.55 H new ATOM 0 HB2 ASP A 66 -6.499 -18.273 -0.023 1.00 42.33 H new ATOM 0 HB3 ASP A 66 -7.986 -19.198 -0.090 1.00 42.33 H new ATOM 1095 N ASP A 67 -9.240 -17.117 -2.118 1.00 51.33 N ATOM 1096 CA ASP A 67 -9.970 -15.832 -1.999 1.00 53.51 C ATOM 1097 C ASP A 67 -9.849 -15.269 -0.570 1.00 22.42 C ATOM 1098 O ASP A 67 -9.996 -14.065 -0.352 1.00 1.10 O ATOM 1099 CB ASP A 67 -11.450 -15.976 -2.410 1.00 12.44 C ATOM 1100 CG ASP A 67 -12.192 -14.621 -2.410 1.00 74.20 C ATOM 1101 OD1 ASP A 67 -11.862 -13.767 -3.255 1.00 34.21 O ATOM 1102 OD2 ASP A 67 -13.095 -14.395 -1.575 1.00 71.31 O ATOM 0 H ASP A 67 -9.837 -17.924 -2.302 1.00 51.33 H new ATOM 0 HA ASP A 67 -9.509 -15.126 -2.689 1.00 53.51 H new ATOM 0 HB2 ASP A 67 -11.507 -16.419 -3.404 1.00 12.44 H new ATOM 0 HB3 ASP A 67 -11.950 -16.662 -1.726 1.00 12.44 H new ATOM 1107 N ASP A 68 -9.557 -16.181 0.378 1.00 54.42 N ATOM 1108 CA ASP A 68 -9.188 -15.852 1.757 1.00 75.24 C ATOM 1109 C ASP A 68 -7.896 -15.013 1.774 1.00 73.12 C ATOM 1110 O ASP A 68 -7.817 -14.006 2.479 1.00 41.25 O ATOM 1111 CB ASP A 68 -9.007 -17.159 2.585 1.00 33.13 C ATOM 1112 CG ASP A 68 -8.584 -16.880 4.041 1.00 50.01 C ATOM 1113 OD1 ASP A 68 -9.475 -16.618 4.884 1.00 32.24 O ATOM 1114 OD2 ASP A 68 -7.362 -16.886 4.344 1.00 32.24 O ATOM 0 H ASP A 68 -9.573 -17.185 0.197 1.00 54.42 H new ATOM 0 HA ASP A 68 -9.986 -15.263 2.210 1.00 75.24 H new ATOM 0 HB2 ASP A 68 -9.942 -17.720 2.582 1.00 33.13 H new ATOM 0 HB3 ASP A 68 -8.257 -17.788 2.106 1.00 33.13 H new ATOM 1119 N ALA A 69 -6.901 -15.443 0.957 1.00 0.33 N ATOM 1120 CA ALA A 69 -5.619 -14.733 0.798 1.00 35.21 C ATOM 1121 C ALA A 69 -5.843 -13.333 0.195 1.00 4.11 C ATOM 1122 O ALA A 69 -5.198 -12.381 0.607 1.00 20.03 O ATOM 1123 CB ALA A 69 -4.642 -15.535 -0.073 1.00 3.22 C ATOM 0 H ALA A 69 -6.971 -16.291 0.394 1.00 0.33 H new ATOM 0 HA ALA A 69 -5.178 -14.622 1.789 1.00 35.21 H new ATOM 0 HB1 ALA A 69 -3.706 -14.985 -0.171 1.00 3.22 H new ATOM 0 HB2 ALA A 69 -4.448 -16.501 0.393 1.00 3.22 H new ATOM 0 HB3 ALA A 69 -5.077 -15.690 -1.060 1.00 3.22 H new ATOM 1129 N ARG A 70 -6.778 -13.237 -0.776 1.00 21.31 N ATOM 1130 CA ARG A 70 -7.170 -11.956 -1.414 1.00 74.22 C ATOM 1131 C ARG A 70 -7.879 -11.037 -0.402 1.00 71.40 C ATOM 1132 O ARG A 70 -7.681 -9.829 -0.424 1.00 31.24 O ATOM 1133 CB ARG A 70 -8.088 -12.241 -2.652 1.00 13.23 C ATOM 1134 CG ARG A 70 -8.469 -11.028 -3.561 1.00 71.42 C ATOM 1135 CD ARG A 70 -9.620 -10.138 -3.042 1.00 15.31 C ATOM 1136 NE ARG A 70 -10.819 -10.924 -2.715 1.00 12.03 N ATOM 1137 CZ ARG A 70 -12.031 -10.409 -2.433 1.00 42.31 C ATOM 1138 NH1 ARG A 70 -12.254 -9.086 -2.443 1.00 63.13 N ATOM 1139 NH2 ARG A 70 -13.023 -11.238 -2.129 1.00 40.15 N ATOM 0 H ARG A 70 -7.283 -14.044 -1.141 1.00 21.31 H new ATOM 0 HA ARG A 70 -6.272 -11.441 -1.755 1.00 74.22 H new ATOM 0 HB2 ARG A 70 -7.592 -12.985 -3.275 1.00 13.23 H new ATOM 0 HB3 ARG A 70 -9.011 -12.693 -2.289 1.00 13.23 H new ATOM 0 HG2 ARG A 70 -7.584 -10.405 -3.694 1.00 71.42 H new ATOM 0 HG3 ARG A 70 -8.743 -11.407 -4.546 1.00 71.42 H new ATOM 0 HD2 ARG A 70 -9.289 -9.597 -2.156 1.00 15.31 H new ATOM 0 HD3 ARG A 70 -9.870 -9.392 -3.796 1.00 15.31 H new ATOM 0 HE ARG A 70 -10.725 -11.940 -2.701 1.00 12.03 H new ATOM 0 HH11 ARG A 70 -11.495 -8.443 -2.668 1.00 63.13 H new ATOM 0 HH12 ARG A 70 -13.182 -8.724 -2.225 1.00 63.13 H new ATOM 0 HH21 ARG A 70 -12.859 -12.245 -2.112 1.00 40.15 H new ATOM 0 HH22 ARG A 70 -13.949 -10.868 -1.912 1.00 40.15 H new ATOM 1153 N LYS A 71 -8.705 -11.639 0.467 1.00 70.12 N ATOM 1154 CA LYS A 71 -9.562 -10.913 1.429 1.00 61.12 C ATOM 1155 C LYS A 71 -8.724 -10.296 2.565 1.00 62.15 C ATOM 1156 O LYS A 71 -8.990 -9.176 3.012 1.00 54.41 O ATOM 1157 CB LYS A 71 -10.633 -11.888 1.994 1.00 54.14 C ATOM 1158 CG LYS A 71 -11.629 -11.261 2.994 1.00 64.01 C ATOM 1159 CD LYS A 71 -12.656 -12.288 3.523 1.00 74.55 C ATOM 1160 CE LYS A 71 -13.606 -11.691 4.568 1.00 54.15 C ATOM 1161 NZ LYS A 71 -14.565 -12.705 5.091 1.00 64.41 N ATOM 0 H LYS A 71 -8.801 -12.653 0.526 1.00 70.12 H new ATOM 0 HA LYS A 71 -10.059 -10.091 0.913 1.00 61.12 H new ATOM 0 HB2 LYS A 71 -11.196 -12.308 1.160 1.00 54.14 H new ATOM 0 HB3 LYS A 71 -10.124 -12.718 2.484 1.00 54.14 H new ATOM 0 HG2 LYS A 71 -11.078 -10.836 3.833 1.00 64.01 H new ATOM 0 HG3 LYS A 71 -12.157 -10.439 2.510 1.00 64.01 H new ATOM 0 HD2 LYS A 71 -13.239 -12.676 2.688 1.00 74.55 H new ATOM 0 HD3 LYS A 71 -12.126 -13.133 3.961 1.00 74.55 H new ATOM 0 HE2 LYS A 71 -13.025 -11.281 5.394 1.00 54.15 H new ATOM 0 HE3 LYS A 71 -14.159 -10.863 4.125 1.00 54.15 H new ATOM 0 HZ1 LYS A 71 -15.189 -12.262 5.795 1.00 64.41 H new ATOM 0 HZ2 LYS A 71 -15.137 -13.079 4.307 1.00 64.41 H new ATOM 0 HZ3 LYS A 71 -14.039 -13.483 5.537 1.00 64.41 H new ATOM 1175 N LYS A 72 -7.720 -11.051 3.024 1.00 14.11 N ATOM 1176 CA LYS A 72 -6.769 -10.587 4.047 1.00 63.14 C ATOM 1177 C LYS A 72 -5.721 -9.630 3.438 1.00 3.43 C ATOM 1178 O LYS A 72 -5.184 -8.774 4.145 1.00 4.23 O ATOM 1179 CB LYS A 72 -6.102 -11.791 4.761 1.00 74.30 C ATOM 1180 CG LYS A 72 -5.228 -12.682 3.861 1.00 44.20 C ATOM 1181 CD LYS A 72 -4.552 -13.881 4.577 1.00 73.22 C ATOM 1182 CE LYS A 72 -3.618 -13.469 5.738 1.00 22.20 C ATOM 1183 NZ LYS A 72 -4.364 -13.220 7.010 1.00 42.03 N ATOM 0 H LYS A 72 -7.542 -12.001 2.699 1.00 14.11 H new ATOM 0 HA LYS A 72 -7.322 -10.023 4.798 1.00 63.14 H new ATOM 0 HB2 LYS A 72 -5.488 -11.414 5.579 1.00 74.30 H new ATOM 0 HB3 LYS A 72 -6.883 -12.407 5.207 1.00 74.30 H new ATOM 0 HG2 LYS A 72 -5.844 -13.065 3.048 1.00 44.20 H new ATOM 0 HG3 LYS A 72 -4.452 -12.064 3.409 1.00 44.20 H new ATOM 0 HD2 LYS A 72 -5.326 -14.544 4.964 1.00 73.22 H new ATOM 0 HD3 LYS A 72 -3.978 -14.452 3.847 1.00 73.22 H new ATOM 0 HE2 LYS A 72 -2.879 -14.253 5.901 1.00 22.20 H new ATOM 0 HE3 LYS A 72 -3.071 -12.568 5.459 1.00 22.20 H new ATOM 0 HZ1 LYS A 72 -4.182 -12.249 7.335 1.00 42.03 H new ATOM 0 HZ2 LYS A 72 -5.383 -13.345 6.845 1.00 42.03 H new ATOM 0 HZ3 LYS A 72 -4.046 -13.893 7.736 1.00 42.03 H new ATOM 1197 N ALA A 73 -5.411 -9.819 2.130 1.00 31.45 N ATOM 1198 CA ALA A 73 -4.567 -8.881 1.340 1.00 53.32 C ATOM 1199 C ALA A 73 -5.334 -7.584 1.052 1.00 2.45 C ATOM 1200 O ALA A 73 -4.730 -6.529 0.856 1.00 20.31 O ATOM 1201 CB ALA A 73 -4.100 -9.516 0.019 1.00 21.12 C ATOM 0 H ALA A 73 -5.737 -10.623 1.593 1.00 31.45 H new ATOM 0 HA ALA A 73 -3.684 -8.653 1.937 1.00 53.32 H new ATOM 0 HB1 ALA A 73 -3.487 -8.802 -0.531 1.00 21.12 H new ATOM 0 HB2 ALA A 73 -3.514 -10.410 0.232 1.00 21.12 H new ATOM 0 HB3 ALA A 73 -4.968 -9.786 -0.582 1.00 21.12 H new ATOM 1207 N LYS A 74 -6.673 -7.708 0.983 1.00 61.03 N ATOM 1208 CA LYS A 74 -7.597 -6.573 0.841 1.00 35.11 C ATOM 1209 C LYS A 74 -7.549 -5.724 2.111 1.00 21.43 C ATOM 1210 O LYS A 74 -7.344 -4.515 2.041 1.00 0.24 O ATOM 1211 CB LYS A 74 -9.039 -7.085 0.566 1.00 22.13 C ATOM 1212 CG LYS A 74 -10.137 -5.996 0.516 1.00 11.35 C ATOM 1213 CD LYS A 74 -11.555 -6.607 0.385 1.00 72.52 C ATOM 1214 CE LYS A 74 -12.666 -5.549 0.435 1.00 64.12 C ATOM 1215 NZ LYS A 74 -12.585 -4.607 -0.711 1.00 3.44 N ATOM 0 H LYS A 74 -7.146 -8.611 1.025 1.00 61.03 H new ATOM 0 HA LYS A 74 -7.295 -5.957 -0.006 1.00 35.11 H new ATOM 0 HB2 LYS A 74 -9.040 -7.621 -0.383 1.00 22.13 H new ATOM 0 HB3 LYS A 74 -9.303 -7.806 1.339 1.00 22.13 H new ATOM 0 HG2 LYS A 74 -10.086 -5.388 1.419 1.00 11.35 H new ATOM 0 HG3 LYS A 74 -9.950 -5.331 -0.327 1.00 11.35 H new ATOM 0 HD2 LYS A 74 -11.624 -7.155 -0.555 1.00 72.52 H new ATOM 0 HD3 LYS A 74 -11.710 -7.328 1.187 1.00 72.52 H new ATOM 0 HE2 LYS A 74 -13.638 -6.043 0.431 1.00 64.12 H new ATOM 0 HE3 LYS A 74 -12.595 -4.992 1.369 1.00 64.12 H new ATOM 0 HZ1 LYS A 74 -13.382 -3.940 -0.669 1.00 3.44 H new ATOM 0 HZ2 LYS A 74 -11.689 -4.080 -0.665 1.00 3.44 H new ATOM 0 HZ3 LYS A 74 -12.627 -5.141 -1.603 1.00 3.44 H new ATOM 1229 N LYS A 75 -7.712 -6.406 3.266 1.00 62.11 N ATOM 1230 CA LYS A 75 -7.602 -5.799 4.605 1.00 75.20 C ATOM 1231 C LYS A 75 -6.234 -5.112 4.781 1.00 33.44 C ATOM 1232 O LYS A 75 -6.169 -3.958 5.197 1.00 74.34 O ATOM 1233 CB LYS A 75 -7.810 -6.893 5.689 1.00 51.32 C ATOM 1234 CG LYS A 75 -7.602 -6.407 7.144 1.00 41.45 C ATOM 1235 CD LYS A 75 -7.750 -7.545 8.185 1.00 3.41 C ATOM 1236 CE LYS A 75 -7.376 -7.096 9.606 1.00 65.15 C ATOM 1237 NZ LYS A 75 -5.947 -6.682 9.689 1.00 32.45 N ATOM 0 H LYS A 75 -7.926 -7.403 3.292 1.00 62.11 H new ATOM 0 HA LYS A 75 -8.374 -5.038 4.715 1.00 75.20 H new ATOM 0 HB2 LYS A 75 -8.820 -7.292 5.594 1.00 51.32 H new ATOM 0 HB3 LYS A 75 -7.122 -7.716 5.493 1.00 51.32 H new ATOM 0 HG2 LYS A 75 -6.610 -5.964 7.236 1.00 41.45 H new ATOM 0 HG3 LYS A 75 -8.324 -5.621 7.366 1.00 41.45 H new ATOM 0 HD2 LYS A 75 -8.779 -7.905 8.180 1.00 3.41 H new ATOM 0 HD3 LYS A 75 -7.117 -8.383 7.894 1.00 3.41 H new ATOM 0 HE2 LYS A 75 -8.015 -6.265 9.906 1.00 65.15 H new ATOM 0 HE3 LYS A 75 -7.561 -7.910 10.307 1.00 65.15 H new ATOM 0 HZ1 LYS A 75 -5.447 -7.293 10.366 1.00 32.45 H new ATOM 0 HZ2 LYS A 75 -5.505 -6.770 8.752 1.00 32.45 H new ATOM 0 HZ3 LYS A 75 -5.890 -5.694 10.007 1.00 32.45 H new ATOM 1251 N TRP A 76 -5.173 -5.843 4.382 1.00 21.13 N ATOM 1252 CA TRP A 76 -3.774 -5.393 4.458 1.00 10.41 C ATOM 1253 C TRP A 76 -3.560 -4.094 3.657 1.00 24.11 C ATOM 1254 O TRP A 76 -3.090 -3.104 4.204 1.00 71.02 O ATOM 1255 CB TRP A 76 -2.839 -6.522 3.930 1.00 31.40 C ATOM 1256 CG TRP A 76 -1.377 -6.140 3.856 1.00 25.13 C ATOM 1257 CD1 TRP A 76 -0.497 -6.075 4.891 1.00 14.34 C ATOM 1258 CD2 TRP A 76 -0.637 -5.751 2.682 1.00 42.23 C ATOM 1259 NE1 TRP A 76 0.729 -5.675 4.437 1.00 3.21 N ATOM 1260 CE2 TRP A 76 0.674 -5.471 3.096 1.00 74.43 C ATOM 1261 CE3 TRP A 76 -0.957 -5.615 1.329 1.00 50.24 C ATOM 1262 CZ2 TRP A 76 1.669 -5.065 2.215 1.00 51.13 C ATOM 1263 CZ3 TRP A 76 0.029 -5.208 0.451 1.00 63.11 C ATOM 1264 CH2 TRP A 76 1.330 -4.939 0.899 1.00 31.41 C ATOM 0 H TRP A 76 -5.270 -6.780 3.991 1.00 21.13 H new ATOM 0 HA TRP A 76 -3.532 -5.179 5.499 1.00 10.41 H new ATOM 0 HB2 TRP A 76 -2.942 -7.394 4.576 1.00 31.40 H new ATOM 0 HB3 TRP A 76 -3.175 -6.820 2.937 1.00 31.40 H new ATOM 0 HD1 TRP A 76 -0.732 -6.305 5.920 1.00 14.34 H new ATOM 0 HE1 TRP A 76 1.558 -5.549 5.017 1.00 3.21 H new ATOM 0 HE3 TRP A 76 -1.956 -5.824 0.976 1.00 50.24 H new ATOM 0 HZ2 TRP A 76 2.672 -4.857 2.558 1.00 51.13 H new ATOM 0 HZ3 TRP A 76 -0.206 -5.095 -0.597 1.00 63.11 H new ATOM 0 HH2 TRP A 76 2.080 -4.625 0.188 1.00 31.41 H new ATOM 1275 N ALA A 77 -3.940 -4.127 2.364 1.00 72.41 N ATOM 1276 CA ALA A 77 -3.716 -3.023 1.410 1.00 31.53 C ATOM 1277 C ALA A 77 -4.549 -1.783 1.764 1.00 22.04 C ATOM 1278 O ALA A 77 -4.147 -0.659 1.448 1.00 25.43 O ATOM 1279 CB ALA A 77 -4.015 -3.491 -0.015 1.00 13.44 C ATOM 0 H ALA A 77 -4.415 -4.928 1.949 1.00 72.41 H new ATOM 0 HA ALA A 77 -2.667 -2.733 1.475 1.00 31.53 H new ATOM 0 HB1 ALA A 77 -3.847 -2.669 -0.711 1.00 13.44 H new ATOM 0 HB2 ALA A 77 -3.358 -4.323 -0.270 1.00 13.44 H new ATOM 0 HB3 ALA A 77 -5.054 -3.815 -0.081 1.00 13.44 H new ATOM 1285 N LEU A 78 -5.732 -2.009 2.380 1.00 32.30 N ATOM 1286 CA LEU A 78 -6.560 -0.935 2.954 1.00 53.43 C ATOM 1287 C LEU A 78 -5.825 -0.278 4.135 1.00 53.31 C ATOM 1288 O LEU A 78 -5.728 0.943 4.195 1.00 1.23 O ATOM 1289 CB LEU A 78 -7.948 -1.477 3.409 1.00 62.24 C ATOM 1290 CG LEU A 78 -8.958 -1.812 2.268 1.00 12.25 C ATOM 1291 CD1 LEU A 78 -10.233 -2.476 2.825 1.00 53.15 C ATOM 1292 CD2 LEU A 78 -9.291 -0.553 1.446 1.00 35.22 C ATOM 0 H LEU A 78 -6.134 -2.940 2.491 1.00 32.30 H new ATOM 0 HA LEU A 78 -6.732 -0.185 2.182 1.00 53.43 H new ATOM 0 HB2 LEU A 78 -7.788 -2.378 4.002 1.00 62.24 H new ATOM 0 HB3 LEU A 78 -8.406 -0.739 4.068 1.00 62.24 H new ATOM 0 HG LEU A 78 -8.485 -2.531 1.600 1.00 12.25 H new ATOM 0 HD11 LEU A 78 -10.916 -2.697 2.005 1.00 53.15 H new ATOM 0 HD12 LEU A 78 -9.968 -3.402 3.336 1.00 53.15 H new ATOM 0 HD13 LEU A 78 -10.718 -1.800 3.529 1.00 53.15 H new ATOM 0 HD21 LEU A 78 -9.997 -0.810 0.656 1.00 35.22 H new ATOM 0 HD22 LEU A 78 -9.734 0.200 2.097 1.00 35.22 H new ATOM 0 HD23 LEU A 78 -8.378 -0.157 1.002 1.00 35.22 H new ATOM 1304 N GLU A 79 -5.281 -1.115 5.044 1.00 44.13 N ATOM 1305 CA GLU A 79 -4.529 -0.647 6.233 1.00 11.25 C ATOM 1306 C GLU A 79 -3.261 0.125 5.824 1.00 14.32 C ATOM 1307 O GLU A 79 -2.928 1.127 6.459 1.00 0.44 O ATOM 1308 CB GLU A 79 -4.178 -1.830 7.174 1.00 74.41 C ATOM 1309 CG GLU A 79 -5.395 -2.499 7.836 1.00 35.22 C ATOM 1310 CD GLU A 79 -5.020 -3.742 8.647 1.00 44.51 C ATOM 1311 OE1 GLU A 79 -4.510 -4.708 8.042 1.00 41.42 O ATOM 1312 OE2 GLU A 79 -5.251 -3.781 9.877 1.00 42.31 O ATOM 0 H GLU A 79 -5.349 -2.131 4.977 1.00 44.13 H new ATOM 0 HA GLU A 79 -5.174 0.039 6.782 1.00 11.25 H new ATOM 0 HB2 GLU A 79 -3.631 -2.581 6.604 1.00 74.41 H new ATOM 0 HB3 GLU A 79 -3.507 -1.471 7.954 1.00 74.41 H new ATOM 0 HG2 GLU A 79 -5.889 -1.780 8.489 1.00 35.22 H new ATOM 0 HG3 GLU A 79 -6.115 -2.777 7.066 1.00 35.22 H new ATOM 1319 N VAL A 80 -2.600 -0.325 4.729 1.00 31.43 N ATOM 1320 CA VAL A 80 -1.436 0.372 4.135 1.00 63.43 C ATOM 1321 C VAL A 80 -1.877 1.749 3.609 1.00 20.30 C ATOM 1322 O VAL A 80 -1.289 2.765 3.963 1.00 51.20 O ATOM 1323 CB VAL A 80 -0.762 -0.470 2.969 1.00 42.42 C ATOM 1324 CG1 VAL A 80 0.399 0.303 2.284 1.00 42.22 C ATOM 1325 CG2 VAL A 80 -0.260 -1.839 3.480 1.00 33.11 C ATOM 0 H VAL A 80 -2.859 -1.179 4.235 1.00 31.43 H new ATOM 0 HA VAL A 80 -0.686 0.494 4.916 1.00 63.43 H new ATOM 0 HB VAL A 80 -1.537 -0.639 2.222 1.00 42.42 H new ATOM 0 HG11 VAL A 80 0.829 -0.312 1.494 1.00 42.22 H new ATOM 0 HG12 VAL A 80 0.016 1.229 1.855 1.00 42.22 H new ATOM 0 HG13 VAL A 80 1.167 0.535 3.022 1.00 42.22 H new ATOM 0 HG21 VAL A 80 0.196 -2.390 2.657 1.00 33.11 H new ATOM 0 HG22 VAL A 80 0.479 -1.685 4.267 1.00 33.11 H new ATOM 0 HG23 VAL A 80 -1.100 -2.409 3.877 1.00 33.11 H new ATOM 1335 N ALA A 81 -2.973 1.748 2.828 1.00 24.34 N ATOM 1336 CA ALA A 81 -3.553 2.962 2.213 1.00 52.24 C ATOM 1337 C ALA A 81 -3.907 4.026 3.273 1.00 63.33 C ATOM 1338 O ALA A 81 -3.651 5.220 3.077 1.00 1.30 O ATOM 1339 CB ALA A 81 -4.799 2.575 1.406 1.00 53.04 C ATOM 0 H ALA A 81 -3.488 0.897 2.602 1.00 24.34 H new ATOM 0 HA ALA A 81 -2.807 3.402 1.551 1.00 52.24 H new ATOM 0 HB1 ALA A 81 -5.229 3.467 0.951 1.00 53.04 H new ATOM 0 HB2 ALA A 81 -4.521 1.867 0.625 1.00 53.04 H new ATOM 0 HB3 ALA A 81 -5.533 2.115 2.068 1.00 53.04 H new ATOM 1345 N ASN A 82 -4.481 3.559 4.400 1.00 21.21 N ATOM 1346 CA ASN A 82 -4.831 4.412 5.550 1.00 43.20 C ATOM 1347 C ASN A 82 -3.572 4.808 6.351 1.00 5.21 C ATOM 1348 O ASN A 82 -3.556 5.850 6.986 1.00 64.22 O ATOM 1349 CB ASN A 82 -5.872 3.718 6.491 1.00 33.12 C ATOM 1350 CG ASN A 82 -7.282 3.588 5.881 1.00 15.44 C ATOM 1351 OD1 ASN A 82 -8.066 4.538 5.882 1.00 11.13 O ATOM 1352 ND2 ASN A 82 -7.655 2.404 5.432 1.00 71.34 N ATOM 0 H ASN A 82 -4.715 2.576 4.537 1.00 21.21 H new ATOM 0 HA ASN A 82 -5.289 5.316 5.149 1.00 43.20 H new ATOM 0 HB2 ASN A 82 -5.506 2.724 6.749 1.00 33.12 H new ATOM 0 HB3 ASN A 82 -5.940 4.284 7.420 1.00 33.12 H new ATOM 0 HD21 ASN A 82 -8.603 2.267 5.080 1.00 71.34 H new ATOM 0 HD22 ASN A 82 -6.996 1.626 5.437 1.00 71.34 H new ATOM 1359 N LYS A 83 -2.521 3.968 6.340 1.00 63.34 N ATOM 1360 CA LYS A 83 -1.243 4.291 7.033 1.00 52.04 C ATOM 1361 C LYS A 83 -0.476 5.406 6.305 1.00 24.13 C ATOM 1362 O LYS A 83 0.279 6.153 6.932 1.00 75.23 O ATOM 1363 CB LYS A 83 -0.343 3.023 7.242 1.00 52.21 C ATOM 1364 CG LYS A 83 -0.677 2.135 8.479 1.00 64.54 C ATOM 1365 CD LYS A 83 -0.159 2.709 9.841 1.00 2.33 C ATOM 1366 CE LYS A 83 -0.977 3.890 10.397 1.00 32.25 C ATOM 1367 NZ LYS A 83 -0.355 4.496 11.612 1.00 72.15 N ATOM 0 H LYS A 83 -2.523 3.065 5.865 1.00 63.34 H new ATOM 0 HA LYS A 83 -1.507 4.659 8.024 1.00 52.04 H new ATOM 0 HB2 LYS A 83 -0.412 2.404 6.348 1.00 52.21 H new ATOM 0 HB3 LYS A 83 0.694 3.349 7.325 1.00 52.21 H new ATOM 0 HG2 LYS A 83 -1.758 2.007 8.539 1.00 64.54 H new ATOM 0 HG3 LYS A 83 -0.247 1.145 8.328 1.00 64.54 H new ATOM 0 HD2 LYS A 83 -0.156 1.907 10.580 1.00 2.33 H new ATOM 0 HD3 LYS A 83 0.875 3.029 9.714 1.00 2.33 H new ATOM 0 HE2 LYS A 83 -1.077 4.653 9.625 1.00 32.25 H new ATOM 0 HE3 LYS A 83 -1.983 3.548 10.640 1.00 32.25 H new ATOM 0 HZ1 LYS A 83 -0.977 5.241 11.986 1.00 72.15 H new ATOM 0 HZ2 LYS A 83 -0.220 3.762 12.336 1.00 72.15 H new ATOM 0 HZ3 LYS A 83 0.566 4.908 11.361 1.00 72.15 H new ATOM 1381 N ILE A 84 -0.647 5.483 4.985 1.00 52.12 N ATOM 1382 CA ILE A 84 -0.110 6.583 4.174 1.00 54.13 C ATOM 1383 C ILE A 84 -0.988 7.859 4.368 1.00 41.53 C ATOM 1384 O ILE A 84 -0.469 8.934 4.661 1.00 32.32 O ATOM 1385 CB ILE A 84 0.014 6.155 2.641 1.00 33.30 C ATOM 1386 CG1 ILE A 84 1.292 5.279 2.384 1.00 14.05 C ATOM 1387 CG2 ILE A 84 0.018 7.369 1.682 1.00 53.45 C ATOM 1388 CD1 ILE A 84 1.368 3.943 3.097 1.00 33.34 C ATOM 0 H ILE A 84 -1.161 4.786 4.445 1.00 52.12 H new ATOM 0 HA ILE A 84 0.899 6.820 4.511 1.00 54.13 H new ATOM 0 HB ILE A 84 -0.874 5.560 2.428 1.00 33.30 H new ATOM 0 HG12 ILE A 84 1.366 5.095 1.312 1.00 14.05 H new ATOM 0 HG13 ILE A 84 2.166 5.864 2.668 1.00 14.05 H new ATOM 0 HG21 ILE A 84 0.104 7.020 0.653 1.00 53.45 H new ATOM 0 HG22 ILE A 84 -0.910 7.928 1.799 1.00 53.45 H new ATOM 0 HG23 ILE A 84 0.863 8.016 1.918 1.00 53.45 H new ATOM 0 HD11 ILE A 84 2.299 3.442 2.832 1.00 33.34 H new ATOM 0 HD12 ILE A 84 1.336 4.103 4.175 1.00 33.34 H new ATOM 0 HD13 ILE A 84 0.524 3.322 2.797 1.00 33.34 H new ATOM 1400 N ALA A 85 -2.322 7.702 4.233 1.00 70.50 N ATOM 1401 CA ALA A 85 -3.282 8.832 4.209 1.00 72.11 C ATOM 1402 C ALA A 85 -3.540 9.482 5.603 1.00 2.51 C ATOM 1403 O ALA A 85 -3.347 10.688 5.768 1.00 51.10 O ATOM 1404 CB ALA A 85 -4.599 8.341 3.597 1.00 13.02 C ATOM 0 H ALA A 85 -2.766 6.789 4.137 1.00 70.50 H new ATOM 0 HA ALA A 85 -2.835 9.621 3.604 1.00 72.11 H new ATOM 0 HB1 ALA A 85 -5.317 9.161 3.572 1.00 13.02 H new ATOM 0 HB2 ALA A 85 -4.419 7.986 2.582 1.00 13.02 H new ATOM 0 HB3 ALA A 85 -4.999 7.527 4.201 1.00 13.02 H new ATOM 1410 N ASN A 86 -3.929 8.653 6.593 1.00 35.41 N ATOM 1411 CA ASN A 86 -4.459 9.101 7.918 1.00 14.35 C ATOM 1412 C ASN A 86 -3.449 9.949 8.714 1.00 4.41 C ATOM 1413 O ASN A 86 -3.844 10.914 9.384 1.00 70.52 O ATOM 1414 CB ASN A 86 -4.896 7.867 8.755 1.00 14.13 C ATOM 1415 CG ASN A 86 -5.392 8.194 10.171 1.00 72.25 C ATOM 1416 OD1 ASN A 86 -6.563 8.519 10.370 1.00 32.12 O ATOM 1417 ND2 ASN A 86 -4.520 8.105 11.167 1.00 63.53 N ATOM 0 H ASN A 86 -3.887 7.638 6.504 1.00 35.41 H new ATOM 0 HA ASN A 86 -5.318 9.741 7.718 1.00 14.35 H new ATOM 0 HB2 ASN A 86 -5.688 7.344 8.219 1.00 14.13 H new ATOM 0 HB3 ASN A 86 -4.054 7.179 8.830 1.00 14.13 H new ATOM 0 HD21 ASN A 86 -4.814 8.308 12.122 1.00 63.53 H new ATOM 0 HD22 ASN A 86 -3.555 7.834 10.977 1.00 63.53 H new ATOM 1424 N GLU A 87 -2.154 9.589 8.623 1.00 51.35 N ATOM 1425 CA GLU A 87 -1.076 10.267 9.381 1.00 61.22 C ATOM 1426 C GLU A 87 -0.917 11.730 8.914 1.00 33.15 C ATOM 1427 O GLU A 87 -0.611 12.618 9.707 1.00 12.32 O ATOM 1428 CB GLU A 87 0.271 9.503 9.221 1.00 72.33 C ATOM 1429 CG GLU A 87 0.192 7.985 9.479 1.00 12.14 C ATOM 1430 CD GLU A 87 -0.390 7.601 10.853 1.00 21.11 C ATOM 1431 OE1 GLU A 87 0.357 7.634 11.861 1.00 45.44 O ATOM 1432 OE2 GLU A 87 -1.587 7.213 10.926 1.00 54.33 O ATOM 0 H GLU A 87 -1.824 8.828 8.029 1.00 51.35 H new ATOM 0 HA GLU A 87 -1.353 10.268 10.435 1.00 61.22 H new ATOM 0 HB2 GLU A 87 0.646 9.666 8.211 1.00 72.33 H new ATOM 0 HB3 GLU A 87 1.001 9.936 9.906 1.00 72.33 H new ATOM 0 HG2 GLU A 87 -0.417 7.528 8.700 1.00 12.14 H new ATOM 0 HG3 GLU A 87 1.192 7.561 9.391 1.00 12.14 H new ATOM 1439 N LEU A 88 -1.146 11.953 7.606 1.00 63.21 N ATOM 1440 CA LEU A 88 -1.012 13.269 6.955 1.00 43.21 C ATOM 1441 C LEU A 88 -2.388 13.943 6.756 1.00 64.20 C ATOM 1442 O LEU A 88 -2.470 15.001 6.105 1.00 71.35 O ATOM 1443 CB LEU A 88 -0.286 13.114 5.579 1.00 23.33 C ATOM 1444 CG LEU A 88 1.215 12.638 5.602 1.00 53.30 C ATOM 1445 CD1 LEU A 88 2.074 13.497 6.534 1.00 22.45 C ATOM 1446 CD2 LEU A 88 1.380 11.132 5.904 1.00 40.43 C ATOM 0 H LEU A 88 -1.433 11.214 6.964 1.00 63.21 H new ATOM 0 HA LEU A 88 -0.417 13.908 7.608 1.00 43.21 H new ATOM 0 HB2 LEU A 88 -0.855 12.406 4.976 1.00 23.33 H new ATOM 0 HB3 LEU A 88 -0.327 14.075 5.066 1.00 23.33 H new ATOM 0 HG LEU A 88 1.582 12.782 4.586 1.00 53.30 H new ATOM 0 HD11 LEU A 88 3.102 13.134 6.519 1.00 22.45 H new ATOM 0 HD12 LEU A 88 2.051 14.534 6.198 1.00 22.45 H new ATOM 0 HD13 LEU A 88 1.682 13.436 7.549 1.00 22.45 H new ATOM 0 HD21 LEU A 88 2.439 10.875 5.904 1.00 40.43 H new ATOM 0 HD22 LEU A 88 0.952 10.908 6.881 1.00 40.43 H new ATOM 0 HD23 LEU A 88 0.865 10.549 5.140 1.00 40.43 H new ATOM 1458 N GLY A 89 -3.453 13.357 7.337 1.00 11.40 N ATOM 1459 CA GLY A 89 -4.827 13.811 7.106 1.00 12.05 C ATOM 1460 C GLY A 89 -5.317 13.336 5.751 1.00 1.02 C ATOM 1461 O GLY A 89 -6.043 12.339 5.666 1.00 62.13 O ATOM 0 H GLY A 89 -3.381 12.563 7.973 1.00 11.40 H new ATOM 0 HA2 GLY A 89 -5.480 13.430 7.891 1.00 12.05 H new ATOM 0 HA3 GLY A 89 -4.871 14.899 7.155 1.00 12.05 H new ATOM 1465 N ALA A 90 -4.888 14.061 4.695 1.00 63.32 N ATOM 1466 CA ALA A 90 -4.968 13.612 3.288 1.00 73.51 C ATOM 1467 C ALA A 90 -6.414 13.271 2.827 1.00 63.32 C ATOM 1468 O ALA A 90 -7.386 13.835 3.350 1.00 31.23 O ATOM 1469 CB ALA A 90 -3.981 12.448 3.083 1.00 3.31 C ATOM 0 H ALA A 90 -4.471 14.986 4.797 1.00 63.32 H new ATOM 0 HA ALA A 90 -4.678 14.442 2.643 1.00 73.51 H new ATOM 0 HB1 ALA A 90 -4.030 12.107 2.049 1.00 3.31 H new ATOM 0 HB2 ALA A 90 -2.969 12.786 3.306 1.00 3.31 H new ATOM 0 HB3 ALA A 90 -4.244 11.626 3.749 1.00 3.31 H new ATOM 1475 N LYS A 91 -6.540 12.379 1.812 1.00 70.43 N ATOM 1476 CA LYS A 91 -7.834 11.899 1.286 1.00 60.52 C ATOM 1477 C LYS A 91 -7.848 10.361 1.331 1.00 23.21 C ATOM 1478 O LYS A 91 -6.925 9.750 1.878 1.00 35.40 O ATOM 1479 CB LYS A 91 -8.068 12.424 -0.163 1.00 5.40 C ATOM 1480 CG LYS A 91 -8.218 13.961 -0.268 1.00 13.45 C ATOM 1481 CD LYS A 91 -8.660 14.433 -1.684 1.00 21.54 C ATOM 1482 CE LYS A 91 -8.894 15.950 -1.744 1.00 11.24 C ATOM 1483 NZ LYS A 91 -9.461 16.394 -3.048 1.00 11.42 N ATOM 0 H LYS A 91 -5.736 11.972 1.334 1.00 70.43 H new ATOM 0 HA LYS A 91 -8.647 12.282 1.903 1.00 60.52 H new ATOM 0 HB2 LYS A 91 -7.234 12.109 -0.790 1.00 5.40 H new ATOM 0 HB3 LYS A 91 -8.965 11.955 -0.566 1.00 5.40 H new ATOM 0 HG2 LYS A 91 -8.948 14.300 0.467 1.00 13.45 H new ATOM 0 HG3 LYS A 91 -7.268 14.432 -0.014 1.00 13.45 H new ATOM 0 HD2 LYS A 91 -7.897 14.156 -2.412 1.00 21.54 H new ATOM 0 HD3 LYS A 91 -9.576 13.914 -1.968 1.00 21.54 H new ATOM 0 HE2 LYS A 91 -9.571 16.241 -0.941 1.00 11.24 H new ATOM 0 HE3 LYS A 91 -7.950 16.466 -1.568 1.00 11.24 H new ATOM 0 HZ1 LYS A 91 -9.131 17.357 -3.260 1.00 11.42 H new ATOM 0 HZ2 LYS A 91 -9.149 15.747 -3.800 1.00 11.42 H new ATOM 0 HZ3 LYS A 91 -10.500 16.388 -2.995 1.00 11.42 H new ATOM 1497 N GLN A 92 -8.897 9.733 0.774 1.00 2.43 N ATOM 1498 CA GLN A 92 -9.053 8.270 0.795 1.00 11.24 C ATOM 1499 C GLN A 92 -8.604 7.653 -0.558 1.00 30.10 C ATOM 1500 O GLN A 92 -8.316 8.376 -1.522 1.00 13.24 O ATOM 1501 CB GLN A 92 -10.525 7.906 1.166 1.00 4.03 C ATOM 1502 CG GLN A 92 -10.721 6.481 1.733 1.00 31.30 C ATOM 1503 CD GLN A 92 -9.887 6.227 2.998 1.00 73.44 C ATOM 1504 OE1 GLN A 92 -8.651 5.760 2.833 1.00 42.31 O flip ATOM 1505 NE2 GLN A 92 -10.338 6.467 4.120 1.00 10.43 N flip ATOM 0 H GLN A 92 -9.656 10.222 0.299 1.00 2.43 H new ATOM 0 HA GLN A 92 -8.406 7.840 1.560 1.00 11.24 H new ATOM 0 HB2 GLN A 92 -10.888 8.626 1.899 1.00 4.03 H new ATOM 0 HB3 GLN A 92 -11.146 8.016 0.277 1.00 4.03 H new ATOM 0 HG2 GLN A 92 -11.776 6.327 1.961 1.00 31.30 H new ATOM 0 HG3 GLN A 92 -10.450 5.751 0.971 1.00 31.30 H new ATOM 0 HE21 GLN A 92 -11.288 6.824 4.222 1.00 10.43 H new ATOM 0 HE22 GLN A 92 -9.761 6.308 4.946 1.00 10.43 H new ATOM 1514 N SER A 93 -8.542 6.311 -0.597 1.00 73.04 N ATOM 1515 CA SER A 93 -7.981 5.528 -1.703 1.00 22.35 C ATOM 1516 C SER A 93 -9.070 4.693 -2.401 1.00 33.12 C ATOM 1517 O SER A 93 -9.979 4.178 -1.742 1.00 63.32 O ATOM 1518 CB SER A 93 -6.899 4.599 -1.115 1.00 51.41 C ATOM 1519 OG SER A 93 -7.420 3.820 -0.046 1.00 32.43 O ATOM 0 H SER A 93 -8.892 5.728 0.163 1.00 73.04 H new ATOM 0 HA SER A 93 -7.555 6.197 -2.450 1.00 22.35 H new ATOM 0 HB2 SER A 93 -6.516 3.941 -1.896 1.00 51.41 H new ATOM 0 HB3 SER A 93 -6.058 5.194 -0.759 1.00 51.41 H new ATOM 0 HG SER A 93 -7.065 2.908 -0.102 1.00 32.43 H new ATOM 1525 N THR A 94 -8.948 4.550 -3.730 1.00 3.33 N ATOM 1526 CA THR A 94 -9.837 3.695 -4.543 1.00 74.43 C ATOM 1527 C THR A 94 -9.169 2.315 -4.733 1.00 33.40 C ATOM 1528 O THR A 94 -7.941 2.219 -4.803 1.00 33.24 O ATOM 1529 CB THR A 94 -10.170 4.363 -5.926 1.00 74.24 C ATOM 1530 OG1 THR A 94 -11.064 3.526 -6.675 1.00 1.35 O ATOM 1531 CG2 THR A 94 -8.913 4.663 -6.773 1.00 10.13 C ATOM 0 H THR A 94 -8.229 5.024 -4.276 1.00 3.33 H new ATOM 0 HA THR A 94 -10.785 3.567 -4.021 1.00 74.43 H new ATOM 0 HB THR A 94 -10.643 5.319 -5.703 1.00 74.24 H new ATOM 0 HG1 THR A 94 -11.267 3.951 -7.534 1.00 1.35 H new ATOM 0 HG21 THR A 94 -9.210 5.123 -7.715 1.00 10.13 H new ATOM 0 HG22 THR A 94 -8.260 5.344 -6.227 1.00 10.13 H new ATOM 0 HG23 THR A 94 -8.380 3.734 -6.975 1.00 10.13 H new ATOM 1539 N THR A 95 -9.985 1.248 -4.780 1.00 51.45 N ATOM 1540 CA THR A 95 -9.497 -0.152 -4.791 1.00 1.35 C ATOM 1541 C THR A 95 -10.009 -0.917 -6.033 1.00 22.54 C ATOM 1542 O THR A 95 -11.219 -1.120 -6.185 1.00 3.32 O ATOM 1543 CB THR A 95 -9.945 -0.904 -3.478 1.00 11.45 C ATOM 1544 OG1 THR A 95 -11.383 -0.945 -3.376 1.00 4.13 O ATOM 1545 CG2 THR A 95 -9.384 -0.228 -2.215 1.00 63.50 C ATOM 0 H THR A 95 -11.002 1.326 -4.812 1.00 51.45 H new ATOM 0 HA THR A 95 -8.408 -0.121 -4.833 1.00 1.35 H new ATOM 0 HB THR A 95 -9.547 -1.917 -3.546 1.00 11.45 H new ATOM 0 HG1 THR A 95 -11.776 -0.917 -4.274 1.00 4.13 H new ATOM 0 HG21 THR A 95 -9.715 -0.775 -1.332 1.00 63.50 H new ATOM 0 HG22 THR A 95 -8.295 -0.228 -2.255 1.00 63.50 H new ATOM 0 HG23 THR A 95 -9.745 0.799 -2.161 1.00 63.50 H new ATOM 1553 N THR A 96 -9.080 -1.314 -6.925 1.00 14.23 N ATOM 1554 CA THR A 96 -9.371 -2.216 -8.049 1.00 73.44 C ATOM 1555 C THR A 96 -9.331 -3.674 -7.517 1.00 50.14 C ATOM 1556 O THR A 96 -8.278 -4.179 -7.134 1.00 1.14 O ATOM 1557 CB THR A 96 -8.321 -2.018 -9.204 1.00 30.43 C ATOM 1558 OG1 THR A 96 -8.271 -0.634 -9.591 1.00 42.22 O ATOM 1559 CG2 THR A 96 -8.618 -2.882 -10.446 1.00 3.23 C ATOM 0 H THR A 96 -8.106 -1.016 -6.883 1.00 14.23 H new ATOM 0 HA THR A 96 -10.356 -1.995 -8.461 1.00 73.44 H new ATOM 0 HB THR A 96 -7.358 -2.340 -8.807 1.00 30.43 H new ATOM 0 HG1 THR A 96 -7.614 -0.519 -10.309 1.00 42.22 H new ATOM 0 HG21 THR A 96 -7.858 -2.700 -11.206 1.00 3.23 H new ATOM 0 HG22 THR A 96 -8.607 -3.936 -10.167 1.00 3.23 H new ATOM 0 HG23 THR A 96 -9.599 -2.622 -10.844 1.00 3.23 H new ATOM 1567 N THR A 97 -10.498 -4.323 -7.473 1.00 71.11 N ATOM 1568 CA THR A 97 -10.660 -5.652 -6.860 1.00 70.23 C ATOM 1569 C THR A 97 -11.615 -6.506 -7.706 1.00 65.31 C ATOM 1570 O THR A 97 -12.794 -6.164 -7.861 1.00 54.22 O ATOM 1571 CB THR A 97 -11.157 -5.517 -5.367 1.00 14.40 C ATOM 1572 OG1 THR A 97 -11.434 -6.806 -4.790 1.00 65.23 O ATOM 1573 CG2 THR A 97 -12.381 -4.595 -5.223 1.00 13.25 C ATOM 0 H THR A 97 -11.362 -3.944 -7.861 1.00 71.11 H new ATOM 0 HA THR A 97 -9.694 -6.156 -6.834 1.00 70.23 H new ATOM 0 HB THR A 97 -10.338 -5.052 -4.818 1.00 14.40 H new ATOM 0 HG1 THR A 97 -11.738 -6.692 -3.865 1.00 65.23 H new ATOM 0 HG21 THR A 97 -12.676 -4.542 -4.175 1.00 13.25 H new ATOM 0 HG22 THR A 97 -12.128 -3.596 -5.580 1.00 13.25 H new ATOM 0 HG23 THR A 97 -13.207 -4.992 -5.812 1.00 13.25 H new ATOM 1581 N ASP A 98 -11.083 -7.612 -8.281 1.00 43.52 N ATOM 1582 CA ASP A 98 -11.838 -8.492 -9.186 1.00 65.40 C ATOM 1583 C ASP A 98 -11.052 -9.795 -9.468 1.00 74.04 C ATOM 1584 O ASP A 98 -11.249 -10.808 -8.779 1.00 61.33 O ATOM 1585 CB ASP A 98 -12.183 -7.733 -10.503 1.00 64.12 C ATOM 1586 CG ASP A 98 -13.055 -8.555 -11.471 1.00 42.13 C ATOM 1587 OD1 ASP A 98 -14.288 -8.604 -11.271 1.00 10.10 O ATOM 1588 OD2 ASP A 98 -12.516 -9.172 -12.422 1.00 3.21 O ATOM 0 H ASP A 98 -10.121 -7.912 -8.127 1.00 43.52 H new ATOM 0 HA ASP A 98 -12.773 -8.777 -8.704 1.00 65.40 H new ATOM 0 HB2 ASP A 98 -12.702 -6.807 -10.255 1.00 64.12 H new ATOM 0 HB3 ASP A 98 -11.257 -7.455 -11.007 1.00 64.12 H new ATOM 1593 N GLY A 99 -10.117 -9.745 -10.447 1.00 35.11 N ATOM 1594 CA GLY A 99 -9.429 -10.938 -10.956 1.00 11.53 C ATOM 1595 C GLY A 99 -7.969 -10.667 -11.269 1.00 23.20 C ATOM 1596 O GLY A 99 -7.105 -10.885 -10.411 1.00 34.12 O ATOM 0 H GLY A 99 -9.826 -8.878 -10.899 1.00 35.11 H new ATOM 0 HA2 GLY A 99 -9.499 -11.738 -10.219 1.00 11.53 H new ATOM 0 HA3 GLY A 99 -9.933 -11.290 -11.856 1.00 11.53 H new ATOM 1600 N ASP A 100 -7.685 -10.184 -12.496 1.00 3.24 N ATOM 1601 CA ASP A 100 -6.310 -9.901 -12.943 1.00 4.25 C ATOM 1602 C ASP A 100 -5.763 -8.654 -12.204 1.00 32.20 C ATOM 1603 O ASP A 100 -6.195 -7.530 -12.465 1.00 61.24 O ATOM 1604 CB ASP A 100 -6.229 -9.752 -14.503 1.00 1.54 C ATOM 1605 CG ASP A 100 -7.071 -8.600 -15.096 1.00 2.03 C ATOM 1606 OD1 ASP A 100 -8.309 -8.703 -15.098 1.00 55.44 O ATOM 1607 OD2 ASP A 100 -6.504 -7.575 -15.535 1.00 21.55 O ATOM 0 H ASP A 100 -8.397 -9.981 -13.198 1.00 3.24 H new ATOM 0 HA ASP A 100 -5.676 -10.750 -12.687 1.00 4.25 H new ATOM 0 HB2 ASP A 100 -5.187 -9.602 -14.784 1.00 1.54 H new ATOM 0 HB3 ASP A 100 -6.550 -10.688 -14.959 1.00 1.54 H new ATOM 1612 N THR A 101 -4.870 -8.908 -11.222 1.00 71.22 N ATOM 1613 CA THR A 101 -4.196 -7.888 -10.393 1.00 41.04 C ATOM 1614 C THR A 101 -5.170 -7.131 -9.464 1.00 14.31 C ATOM 1615 O THR A 101 -6.038 -6.378 -9.922 1.00 5.02 O ATOM 1616 CB THR A 101 -3.343 -6.867 -11.227 1.00 34.43 C ATOM 1617 OG1 THR A 101 -2.517 -7.591 -12.161 1.00 64.34 O ATOM 1618 CG2 THR A 101 -2.441 -5.984 -10.329 1.00 14.24 C ATOM 0 H THR A 101 -4.591 -9.858 -10.978 1.00 71.22 H new ATOM 0 HA THR A 101 -3.506 -8.458 -9.771 1.00 41.04 H new ATOM 0 HB THR A 101 -4.035 -6.208 -11.751 1.00 34.43 H new ATOM 0 HG1 THR A 101 -1.984 -6.958 -12.685 1.00 64.34 H new ATOM 0 HG21 THR A 101 -1.871 -5.295 -10.952 1.00 14.24 H new ATOM 0 HG22 THR A 101 -3.062 -5.417 -9.635 1.00 14.24 H new ATOM 0 HG23 THR A 101 -1.755 -6.618 -9.768 1.00 14.24 H new ATOM 1626 N PHE A 102 -5.019 -7.364 -8.154 1.00 51.10 N ATOM 1627 CA PHE A 102 -5.691 -6.585 -7.114 1.00 20.41 C ATOM 1628 C PHE A 102 -4.848 -5.324 -6.832 1.00 62.34 C ATOM 1629 O PHE A 102 -3.685 -5.429 -6.433 1.00 51.24 O ATOM 1630 CB PHE A 102 -5.871 -7.450 -5.835 1.00 24.01 C ATOM 1631 CG PHE A 102 -6.387 -6.681 -4.620 1.00 51.03 C ATOM 1632 CD1 PHE A 102 -7.722 -6.293 -4.537 1.00 54.42 C ATOM 1633 CD2 PHE A 102 -5.523 -6.300 -3.587 1.00 74.42 C ATOM 1634 CE1 PHE A 102 -8.179 -5.570 -3.450 1.00 34.53 C ATOM 1635 CE2 PHE A 102 -5.981 -5.576 -2.510 1.00 21.45 C ATOM 1636 CZ PHE A 102 -7.309 -5.204 -2.446 1.00 13.14 C ATOM 0 H PHE A 102 -4.422 -8.105 -7.786 1.00 51.10 H new ATOM 0 HA PHE A 102 -6.685 -6.282 -7.443 1.00 20.41 H new ATOM 0 HB2 PHE A 102 -6.563 -8.263 -6.056 1.00 24.01 H new ATOM 0 HB3 PHE A 102 -4.914 -7.906 -5.582 1.00 24.01 H new ATOM 0 HD1 PHE A 102 -8.407 -6.559 -5.329 1.00 54.42 H new ATOM 0 HD2 PHE A 102 -4.481 -6.578 -3.636 1.00 74.42 H new ATOM 0 HE1 PHE A 102 -9.221 -5.292 -3.388 1.00 34.53 H new ATOM 0 HE2 PHE A 102 -5.303 -5.299 -1.716 1.00 21.45 H new ATOM 0 HZ PHE A 102 -7.667 -4.625 -1.607 1.00 13.14 H new ATOM 1646 N GLU A 103 -5.430 -4.143 -7.074 1.00 5.24 N ATOM 1647 CA GLU A 103 -4.763 -2.847 -6.867 1.00 74.12 C ATOM 1648 C GLU A 103 -5.535 -1.978 -5.863 1.00 31.13 C ATOM 1649 O GLU A 103 -6.741 -2.141 -5.677 1.00 61.43 O ATOM 1650 CB GLU A 103 -4.613 -2.071 -8.205 1.00 10.42 C ATOM 1651 CG GLU A 103 -3.833 -2.820 -9.303 1.00 63.44 C ATOM 1652 CD GLU A 103 -3.627 -1.986 -10.579 1.00 34.15 C ATOM 1653 OE1 GLU A 103 -4.544 -1.226 -10.953 1.00 2.22 O ATOM 1654 OE2 GLU A 103 -2.551 -2.077 -11.209 1.00 0.31 O ATOM 0 H GLU A 103 -6.385 -4.057 -7.422 1.00 5.24 H new ATOM 0 HA GLU A 103 -3.772 -3.060 -6.466 1.00 74.12 H new ATOM 0 HB2 GLU A 103 -5.607 -1.832 -8.584 1.00 10.42 H new ATOM 0 HB3 GLU A 103 -4.112 -1.124 -8.005 1.00 10.42 H new ATOM 0 HG2 GLU A 103 -2.860 -3.117 -8.910 1.00 63.44 H new ATOM 0 HG3 GLU A 103 -4.367 -3.736 -9.558 1.00 63.44 H new ATOM 1661 N VAL A 104 -4.796 -1.075 -5.192 1.00 15.22 N ATOM 1662 CA VAL A 104 -5.344 0.024 -4.383 1.00 40.45 C ATOM 1663 C VAL A 104 -4.563 1.302 -4.750 1.00 70.34 C ATOM 1664 O VAL A 104 -3.406 1.448 -4.359 1.00 11.41 O ATOM 1665 CB VAL A 104 -5.201 -0.243 -2.827 1.00 43.13 C ATOM 1666 CG1 VAL A 104 -5.730 0.962 -2.006 1.00 30.30 C ATOM 1667 CG2 VAL A 104 -5.900 -1.559 -2.412 1.00 61.42 C ATOM 0 H VAL A 104 -3.776 -1.092 -5.199 1.00 15.22 H new ATOM 0 HA VAL A 104 -6.409 0.120 -4.596 1.00 40.45 H new ATOM 0 HB VAL A 104 -4.140 -0.357 -2.606 1.00 43.13 H new ATOM 0 HG11 VAL A 104 -5.621 0.753 -0.942 1.00 30.30 H new ATOM 0 HG12 VAL A 104 -5.159 1.855 -2.261 1.00 30.30 H new ATOM 0 HG13 VAL A 104 -6.783 1.126 -2.237 1.00 30.30 H new ATOM 0 HG21 VAL A 104 -5.782 -1.711 -1.339 1.00 61.42 H new ATOM 0 HG22 VAL A 104 -6.961 -1.500 -2.656 1.00 61.42 H new ATOM 0 HG23 VAL A 104 -5.450 -2.395 -2.948 1.00 61.42 H new ATOM 1677 N GLU A 105 -5.189 2.226 -5.486 1.00 64.10 N ATOM 1678 CA GLU A 105 -4.548 3.496 -5.862 1.00 12.42 C ATOM 1679 C GLU A 105 -4.948 4.570 -4.838 1.00 54.13 C ATOM 1680 O GLU A 105 -6.134 4.890 -4.684 1.00 41.54 O ATOM 1681 CB GLU A 105 -4.937 3.913 -7.303 1.00 54.12 C ATOM 1682 CG GLU A 105 -4.195 5.166 -7.825 1.00 53.35 C ATOM 1683 CD GLU A 105 -4.522 5.503 -9.287 1.00 42.10 C ATOM 1684 OE1 GLU A 105 -5.681 5.878 -9.563 1.00 15.32 O ATOM 1685 OE2 GLU A 105 -3.637 5.365 -10.168 1.00 60.31 O ATOM 0 H GLU A 105 -6.141 2.120 -5.835 1.00 64.10 H new ATOM 0 HA GLU A 105 -3.465 3.376 -5.853 1.00 12.42 H new ATOM 0 HB2 GLU A 105 -4.737 3.080 -7.976 1.00 54.12 H new ATOM 0 HB3 GLU A 105 -6.010 4.100 -7.337 1.00 54.12 H new ATOM 0 HG2 GLU A 105 -4.452 6.019 -7.197 1.00 53.35 H new ATOM 0 HG3 GLU A 105 -3.121 5.010 -7.727 1.00 53.35 H new ATOM 1692 N VAL A 106 -3.941 5.076 -4.111 1.00 33.55 N ATOM 1693 CA VAL A 106 -4.115 6.087 -3.067 1.00 12.31 C ATOM 1694 C VAL A 106 -3.783 7.463 -3.676 1.00 72.41 C ATOM 1695 O VAL A 106 -2.616 7.772 -3.927 1.00 1.34 O ATOM 1696 CB VAL A 106 -3.155 5.788 -1.835 1.00 53.05 C ATOM 1697 CG1 VAL A 106 -3.526 6.642 -0.600 1.00 60.51 C ATOM 1698 CG2 VAL A 106 -3.127 4.276 -1.494 1.00 54.05 C ATOM 0 H VAL A 106 -2.971 4.788 -4.236 1.00 33.55 H new ATOM 0 HA VAL A 106 -5.142 6.071 -2.702 1.00 12.31 H new ATOM 0 HB VAL A 106 -2.147 6.075 -2.133 1.00 53.05 H new ATOM 0 HG11 VAL A 106 -2.847 6.409 0.221 1.00 60.51 H new ATOM 0 HG12 VAL A 106 -3.443 7.700 -0.851 1.00 60.51 H new ATOM 0 HG13 VAL A 106 -4.550 6.420 -0.298 1.00 60.51 H new ATOM 0 HG21 VAL A 106 -2.462 4.106 -0.648 1.00 54.05 H new ATOM 0 HG22 VAL A 106 -4.132 3.942 -1.238 1.00 54.05 H new ATOM 0 HG23 VAL A 106 -2.767 3.715 -2.357 1.00 54.05 H new ATOM 1708 N ILE A 107 -4.823 8.269 -3.937 1.00 14.34 N ATOM 1709 CA ILE A 107 -4.676 9.609 -4.530 1.00 24.03 C ATOM 1710 C ILE A 107 -4.814 10.653 -3.421 1.00 64.43 C ATOM 1711 O ILE A 107 -5.917 10.898 -2.916 1.00 11.13 O ATOM 1712 CB ILE A 107 -5.736 9.859 -5.672 1.00 61.42 C ATOM 1713 CG1 ILE A 107 -5.546 8.837 -6.837 1.00 43.52 C ATOM 1714 CG2 ILE A 107 -5.680 11.319 -6.201 1.00 1.12 C ATOM 1715 CD1 ILE A 107 -4.213 8.937 -7.570 1.00 31.04 C ATOM 0 H ILE A 107 -5.791 8.011 -3.743 1.00 14.34 H new ATOM 0 HA ILE A 107 -3.692 9.688 -4.992 1.00 24.03 H new ATOM 0 HB ILE A 107 -6.725 9.708 -5.239 1.00 61.42 H new ATOM 0 HG12 ILE A 107 -5.648 7.829 -6.436 1.00 43.52 H new ATOM 0 HG13 ILE A 107 -6.351 8.977 -7.558 1.00 43.52 H new ATOM 0 HG21 ILE A 107 -6.425 11.450 -6.986 1.00 1.12 H new ATOM 0 HG22 ILE A 107 -5.888 12.010 -5.384 1.00 1.12 H new ATOM 0 HG23 ILE A 107 -4.688 11.522 -6.605 1.00 1.12 H new ATOM 0 HD11 ILE A 107 -4.175 8.188 -8.361 1.00 31.04 H new ATOM 0 HD12 ILE A 107 -4.112 9.931 -8.007 1.00 31.04 H new ATOM 0 HD13 ILE A 107 -3.398 8.765 -6.867 1.00 31.04 H new ATOM 1727 N LEU A 108 -3.677 11.223 -2.996 1.00 13.30 N ATOM 1728 CA LEU A 108 -3.659 12.270 -1.965 1.00 73.44 C ATOM 1729 C LEU A 108 -3.352 13.612 -2.630 1.00 73.24 C ATOM 1730 O LEU A 108 -2.188 13.915 -2.901 1.00 0.03 O ATOM 1731 CB LEU A 108 -2.588 11.942 -0.885 1.00 33.14 C ATOM 1732 CG LEU A 108 -2.635 10.519 -0.257 1.00 54.31 C ATOM 1733 CD1 LEU A 108 -1.567 10.373 0.841 1.00 64.13 C ATOM 1734 CD2 LEU A 108 -4.047 10.168 0.259 1.00 45.34 C ATOM 0 H LEU A 108 -2.754 10.975 -3.353 1.00 13.30 H new ATOM 0 HA LEU A 108 -4.631 12.320 -1.475 1.00 73.44 H new ATOM 0 HB2 LEU A 108 -1.603 12.084 -1.330 1.00 33.14 H new ATOM 0 HB3 LEU A 108 -2.683 12.671 -0.080 1.00 33.14 H new ATOM 0 HG LEU A 108 -2.403 9.798 -1.041 1.00 54.31 H new ATOM 0 HD11 LEU A 108 -1.617 9.371 1.267 1.00 64.13 H new ATOM 0 HD12 LEU A 108 -0.579 10.535 0.411 1.00 64.13 H new ATOM 0 HD13 LEU A 108 -1.747 11.109 1.624 1.00 64.13 H new ATOM 0 HD21 LEU A 108 -4.038 9.167 0.690 1.00 45.34 H new ATOM 0 HD22 LEU A 108 -4.346 10.888 1.021 1.00 45.34 H new ATOM 0 HD23 LEU A 108 -4.755 10.201 -0.569 1.00 45.34 H new ATOM 1746 N GLU A 109 -4.389 14.429 -2.873 1.00 20.42 N ATOM 1747 CA GLU A 109 -4.208 15.756 -3.483 1.00 23.22 C ATOM 1748 C GLU A 109 -3.667 16.739 -2.422 1.00 22.34 C ATOM 1749 O GLU A 109 -4.413 17.484 -1.781 1.00 61.32 O ATOM 1750 CB GLU A 109 -5.546 16.238 -4.103 1.00 30.33 C ATOM 1751 CG GLU A 109 -6.061 15.339 -5.254 1.00 53.00 C ATOM 1752 CD GLU A 109 -7.471 15.716 -5.732 1.00 12.00 C ATOM 1753 OE1 GLU A 109 -7.630 16.748 -6.412 1.00 65.45 O ATOM 1754 OE2 GLU A 109 -8.436 15.006 -5.387 1.00 52.23 O ATOM 0 H GLU A 109 -5.358 14.195 -2.657 1.00 20.42 H new ATOM 0 HA GLU A 109 -3.478 15.704 -4.290 1.00 23.22 H new ATOM 0 HB2 GLU A 109 -6.304 16.280 -3.321 1.00 30.33 H new ATOM 0 HB3 GLU A 109 -5.417 17.254 -4.477 1.00 30.33 H new ATOM 0 HG2 GLU A 109 -5.370 15.404 -6.094 1.00 53.00 H new ATOM 0 HG3 GLU A 109 -6.062 14.301 -4.922 1.00 53.00 H new ATOM 1761 N LEU A 110 -2.342 16.658 -2.215 1.00 64.35 N ATOM 1762 CA LEU A 110 -1.570 17.505 -1.290 1.00 11.23 C ATOM 1763 C LEU A 110 -0.438 18.128 -2.095 1.00 55.51 C ATOM 1764 O LEU A 110 0.443 17.415 -2.600 1.00 71.34 O ATOM 1765 CB LEU A 110 -0.965 16.703 -0.080 1.00 2.42 C ATOM 1766 CG LEU A 110 -1.936 16.314 1.096 1.00 53.21 C ATOM 1767 CD1 LEU A 110 -3.020 15.331 0.647 1.00 11.33 C ATOM 1768 CD2 LEU A 110 -1.151 15.757 2.309 1.00 44.15 C ATOM 0 H LEU A 110 -1.759 15.978 -2.703 1.00 64.35 H new ATOM 0 HA LEU A 110 -2.238 18.252 -0.862 1.00 11.23 H new ATOM 0 HB2 LEU A 110 -0.527 15.785 -0.471 1.00 2.42 H new ATOM 0 HB3 LEU A 110 -0.149 17.292 0.339 1.00 2.42 H new ATOM 0 HG LEU A 110 -2.440 17.229 1.408 1.00 53.21 H new ATOM 0 HD11 LEU A 110 -3.666 15.091 1.491 1.00 11.33 H new ATOM 0 HD12 LEU A 110 -3.614 15.782 -0.148 1.00 11.33 H new ATOM 0 HD13 LEU A 110 -2.553 14.418 0.277 1.00 11.33 H new ATOM 0 HD21 LEU A 110 -1.848 15.497 3.105 1.00 44.15 H new ATOM 0 HD22 LEU A 110 -0.597 14.868 2.007 1.00 44.15 H new ATOM 0 HD23 LEU A 110 -0.454 16.513 2.670 1.00 44.15 H new ATOM 1780 N GLU A 111 -0.500 19.447 -2.260 1.00 3.45 N ATOM 1781 CA GLU A 111 0.586 20.217 -2.863 1.00 30.15 C ATOM 1782 C GLU A 111 1.771 20.261 -1.886 1.00 72.42 C ATOM 1783 O GLU A 111 2.919 20.007 -2.259 1.00 65.13 O ATOM 1784 CB GLU A 111 0.103 21.644 -3.209 1.00 50.42 C ATOM 1785 CG GLU A 111 -1.066 21.686 -4.215 1.00 31.03 C ATOM 1786 CD GLU A 111 -1.502 23.115 -4.563 1.00 75.42 C ATOM 1787 OE1 GLU A 111 -0.696 23.852 -5.169 1.00 2.40 O ATOM 1788 OE2 GLU A 111 -2.639 23.517 -4.225 1.00 53.23 O ATOM 0 H GLU A 111 -1.302 20.012 -1.980 1.00 3.45 H new ATOM 0 HA GLU A 111 0.905 19.740 -3.789 1.00 30.15 H new ATOM 0 HB2 GLU A 111 -0.204 22.145 -2.291 1.00 50.42 H new ATOM 0 HB3 GLU A 111 0.940 22.211 -3.617 1.00 50.42 H new ATOM 0 HG2 GLU A 111 -0.772 21.169 -5.128 1.00 31.03 H new ATOM 0 HG3 GLU A 111 -1.915 21.143 -3.800 1.00 31.03 H new ATOM 1795 N HIS A 112 1.445 20.555 -0.622 1.00 52.23 N ATOM 1796 CA HIS A 112 2.392 20.551 0.494 1.00 63.35 C ATOM 1797 C HIS A 112 1.644 20.237 1.796 1.00 32.22 C ATOM 1798 O HIS A 112 0.412 20.326 1.856 1.00 31.11 O ATOM 1799 CB HIS A 112 3.161 21.895 0.591 1.00 62.20 C ATOM 1800 CG HIS A 112 2.283 23.120 0.711 1.00 4.54 C ATOM 1801 ND1 HIS A 112 1.862 23.844 -0.385 1.00 52.12 N ATOM 1802 CD2 HIS A 112 1.761 23.753 1.792 1.00 4.12 C ATOM 1803 CE1 HIS A 112 1.132 24.862 0.019 1.00 13.42 C ATOM 1804 NE2 HIS A 112 1.052 24.826 1.331 1.00 60.54 N ATOM 0 H HIS A 112 0.497 20.807 -0.343 1.00 52.23 H new ATOM 0 HA HIS A 112 3.138 19.775 0.320 1.00 63.35 H new ATOM 0 HB2 HIS A 112 3.826 21.856 1.454 1.00 62.20 H new ATOM 0 HB3 HIS A 112 3.791 22.002 -0.292 1.00 62.20 H new ATOM 0 HD2 HIS A 112 1.883 23.462 2.825 1.00 4.12 H new ATOM 0 HE1 HIS A 112 0.675 25.603 -0.620 1.00 13.42 H new ATOM 0 HE2 HIS A 112 0.542 25.492 1.911 1.00 60.54 H new ATOM 1813 N HIS A 113 2.416 19.883 2.823 1.00 54.05 N ATOM 1814 CA HIS A 113 1.907 19.534 4.159 1.00 43.53 C ATOM 1815 C HIS A 113 2.937 19.989 5.200 1.00 32.41 C ATOM 1816 O HIS A 113 4.094 20.229 4.844 1.00 33.40 O ATOM 1817 CB HIS A 113 1.661 17.997 4.242 1.00 32.25 C ATOM 1818 CG HIS A 113 1.024 17.544 5.529 1.00 44.24 C ATOM 1819 ND1 HIS A 113 1.744 17.103 6.621 1.00 31.12 N ATOM 1820 CD2 HIS A 113 -0.267 17.529 5.913 1.00 31.45 C ATOM 1821 CE1 HIS A 113 0.918 16.846 7.610 1.00 51.11 C ATOM 1822 NE2 HIS A 113 -0.305 17.098 7.206 1.00 63.23 N ATOM 0 H HIS A 113 3.432 19.828 2.754 1.00 54.05 H new ATOM 0 HA HIS A 113 0.958 20.033 4.353 1.00 43.53 H new ATOM 0 HB2 HIS A 113 1.025 17.696 3.409 1.00 32.25 H new ATOM 0 HB3 HIS A 113 2.613 17.481 4.119 1.00 32.25 H new ATOM 0 HD2 HIS A 113 -1.117 17.807 5.307 1.00 31.45 H new ATOM 0 HE1 HIS A 113 1.198 16.488 8.590 1.00 51.11 H new ATOM 0 HE2 HIS A 113 -1.149 16.989 7.769 1.00 63.23 H new ATOM 1831 N HIS A 114 2.520 20.132 6.469 1.00 43.20 N ATOM 1832 CA HIS A 114 3.446 20.407 7.582 1.00 52.14 C ATOM 1833 C HIS A 114 4.384 19.195 7.776 1.00 64.22 C ATOM 1834 O HIS A 114 4.011 18.196 8.397 1.00 45.33 O ATOM 1835 CB HIS A 114 2.666 20.744 8.883 1.00 52.03 C ATOM 1836 CG HIS A 114 1.907 22.043 8.839 1.00 72.43 C ATOM 1837 ND1 HIS A 114 1.149 22.501 9.890 1.00 4.51 N ATOM 1838 CD2 HIS A 114 1.811 22.991 7.876 1.00 71.24 C ATOM 1839 CE1 HIS A 114 0.624 23.664 9.577 1.00 32.25 C ATOM 1840 NE2 HIS A 114 1.007 23.981 8.359 1.00 14.40 N ATOM 0 H HIS A 114 1.542 20.061 6.751 1.00 43.20 H new ATOM 0 HA HIS A 114 4.052 21.281 7.342 1.00 52.14 H new ATOM 0 HB2 HIS A 114 1.965 19.936 9.091 1.00 52.03 H new ATOM 0 HB3 HIS A 114 3.370 20.777 9.715 1.00 52.03 H new ATOM 0 HD2 HIS A 114 2.284 22.967 6.905 1.00 71.24 H new ATOM 0 HE1 HIS A 114 -0.015 24.260 10.213 1.00 32.25 H new ATOM 0 HE2 HIS A 114 0.745 24.830 7.857 1.00 14.40 H new ATOM 1849 N HIS A 115 5.572 19.287 7.147 1.00 52.24 N ATOM 1850 CA HIS A 115 6.552 18.192 7.060 1.00 3.54 C ATOM 1851 C HIS A 115 7.463 18.160 8.291 1.00 0.20 C ATOM 1852 O HIS A 115 7.915 19.203 8.768 1.00 74.44 O ATOM 1853 CB HIS A 115 7.403 18.344 5.773 1.00 60.34 C ATOM 1854 CG HIS A 115 6.592 18.347 4.503 1.00 45.54 C ATOM 1855 ND1 HIS A 115 6.840 19.199 3.454 1.00 0.25 N ATOM 1856 CD2 HIS A 115 5.550 17.575 4.110 1.00 24.33 C ATOM 1857 CE1 HIS A 115 5.992 18.958 2.480 1.00 35.13 C ATOM 1858 NE2 HIS A 115 5.196 17.976 2.851 1.00 32.20 N ATOM 0 H HIS A 115 5.880 20.139 6.678 1.00 52.24 H new ATOM 0 HA HIS A 115 6.004 17.251 7.023 1.00 3.54 H new ATOM 0 HB2 HIS A 115 7.971 19.272 5.832 1.00 60.34 H new ATOM 0 HB3 HIS A 115 8.126 17.530 5.729 1.00 60.34 H new ATOM 0 HD2 HIS A 115 5.085 16.788 4.685 1.00 24.33 H new ATOM 0 HE1 HIS A 115 5.954 19.478 1.534 1.00 35.13 H new ATOM 0 HE2 HIS A 115 4.440 17.580 2.292 1.00 32.20 H new ATOM 1867 N HIS A 116 7.732 16.947 8.783 1.00 54.34 N ATOM 1868 CA HIS A 116 8.638 16.712 9.915 1.00 11.05 C ATOM 1869 C HIS A 116 9.534 15.504 9.601 1.00 21.25 C ATOM 1870 O HIS A 116 9.082 14.550 8.960 1.00 34.54 O ATOM 1871 CB HIS A 116 7.817 16.480 11.215 1.00 54.54 C ATOM 1872 CG HIS A 116 8.665 16.407 12.464 1.00 30.41 C ATOM 1873 ND1 HIS A 116 9.377 15.282 12.823 1.00 5.22 N ATOM 1874 CD2 HIS A 116 8.937 17.333 13.417 1.00 3.13 C ATOM 1875 CE1 HIS A 116 10.044 15.517 13.931 1.00 75.34 C ATOM 1876 NE2 HIS A 116 9.793 16.747 14.310 1.00 1.41 N ATOM 0 H HIS A 116 7.324 16.092 8.405 1.00 54.34 H new ATOM 0 HA HIS A 116 9.271 17.586 10.072 1.00 11.05 H new ATOM 0 HB2 HIS A 116 7.092 17.287 11.325 1.00 54.54 H new ATOM 0 HB3 HIS A 116 7.251 15.554 11.116 1.00 54.54 H new ATOM 0 HD1 HIS A 116 9.385 14.402 12.307 1.00 5.22 H new ATOM 0 HD2 HIS A 116 8.552 18.341 13.463 1.00 3.13 H new ATOM 0 HE1 HIS A 116 10.688 14.817 14.442 1.00 75.34 H new ATOM 1885 N HIS A 117 10.809 15.561 10.037 1.00 54.33 N ATOM 1886 CA HIS A 117 11.743 14.423 9.923 1.00 54.41 C ATOM 1887 C HIS A 117 11.604 13.495 11.168 1.00 12.34 C ATOM 1888 O HIS A 117 12.475 13.482 12.058 1.00 21.35 O ATOM 1889 CB HIS A 117 13.207 14.920 9.662 1.00 64.43 C ATOM 1890 CG HIS A 117 13.735 15.996 10.594 1.00 64.10 C ATOM 1891 ND1 HIS A 117 14.094 15.764 11.901 1.00 74.04 N ATOM 1892 CD2 HIS A 117 13.979 17.307 10.381 1.00 32.55 C ATOM 1893 CE1 HIS A 117 14.538 16.872 12.443 1.00 43.30 C ATOM 1894 NE2 HIS A 117 14.479 17.822 11.542 1.00 75.43 N ATOM 1895 OXT HIS A 117 10.565 12.814 11.275 1.00 37.89 O ATOM 0 H HIS A 117 11.217 16.388 10.473 1.00 54.33 H new ATOM 0 HA HIS A 117 11.483 13.819 9.053 1.00 54.41 H new ATOM 0 HB2 HIS A 117 13.874 14.060 9.721 1.00 64.43 H new ATOM 0 HB3 HIS A 117 13.262 15.297 8.641 1.00 64.43 H new ATOM 0 HD1 HIS A 117 14.025 14.865 12.377 1.00 74.04 H new ATOM 0 HD2 HIS A 117 13.810 17.848 9.462 1.00 32.55 H new ATOM 0 HE1 HIS A 117 14.892 16.983 13.457 1.00 43.30 H new TER 1904 HIS A 117