USER MOD reduce.3.24.130724 H: found=0, std=0, add=1160, rem=0, adj=37 USER MOD reduce.3.24.130724 removed 1160 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 145 SER OG : rot 176:sc= 1.64 USER MOD Set 1.2: A 148 THR OG1 : rot 28:sc= 1.28 USER MOD Set 2.1: A 94 HIS : no HE2:sc= 1.21 K(o=0.78,f=-8.6!) USER MOD Set 2.2: A 137 TYR OH : rot -49:sc= -0.424 USER MOD Set 3.1: A 72 MET CE :methyl -154:sc= -0.56 (180deg=-2.23!) USER MOD Set 3.2: A 99 GLN : amide:sc= -0.355 K(o=-0.91,f=-2.9) USER MOD Set 4.1: A 87 THR OG1 : rot 180:sc= 0.00878 USER MOD Set 4.2: A 124 THR OG1 : rot -149:sc= 0.84 USER MOD Set 5.1: A 16 LYS NZ :NH3+ -149:sc= 0.471 (180deg=0.264) USER MOD Set 5.2: A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 1 MET CE :methyl -136:sc= -0.451 (180deg=-1.6!) USER MOD Single : A 1 MET N :NH3+ -129:sc= 0.878 (180deg=0.0139) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0 USER MOD Single : A 4 TYR OH : rot 180:sc= -0.331 USER MOD Single : A 5 LYS NZ :NH3+ -162:sc= 0 (180deg=-0.108) USER MOD Single : A 17 SER OG : rot 180:sc= 0.0113 USER MOD Single : A 20 THR OG1 : rot 178:sc= 0.987 USER MOD Single : A 22 GLN : amide:sc= -0.695 K(o=-0.69,f=-1.9) USER MOD Single : A 25 GLN : amide:sc=-0.00243 K(o=-0.0024,f=-0.7) USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ -125:sc= 1.24 (180deg=0.14) USER MOD Single : A 43 GLN :FLIP amide:sc= -0.2 F(o=-1.4,f=-0.2) USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 CYS SG : rot -2:sc= -1.2 USER MOD Single : A 67 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 70 GLN : amide:sc= -3.36! C(o=-3.4!,f=-8.3!) USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 THR OG1 : rot -67:sc= -1.14 USER MOD Single : A 80 CYS SG : rot 180:sc=-0.00153 USER MOD Single : A 85 ASN : amide:sc= -2.77 K(o=-2.8,f=-10!) USER MOD Single : A 86 ASN : amide:sc= -0.258 K(o=-0.26,f=-1.4!) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 SER OG : rot -61:sc= 2.07 USER MOD Single : A 95 GLN : amide:sc= -1.11 K(o=-1.1,f=-3.5!) USER MOD Single : A 96 TYR OH : rot -88:sc= 1.07 USER MOD Single : A 101 LYS NZ :NH3+ -109:sc= 0.107 (180deg=0) USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 SER OG : rot 44:sc= 0.958 USER MOD Single : A 111 MET CE :methyl -162:sc= -4.42! (180deg=-7.06!) USER MOD Single : A 116 ASN : amide:sc= -1.14 K(o=-1.1,f=-11!) USER MOD Single : A 117 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 118 CYS SG : rot 180:sc= 0 USER MOD Single : A 127 SER OG : rot 180:sc= 0 USER MOD Single : A 129 GLN :FLIP amide:sc= -0.112 F(o=-0.66,f=-0.11) USER MOD Single : A 131 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 136 SER OG : rot 180:sc= 0 USER MOD Single : A 141 TYR OH : rot -143:sc= -0.16 USER MOD Single : A 144 THR OG1 : rot 120:sc= 0 USER MOD Single : A 147 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 150 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 157 TYR OH : rot 151:sc= 0.907 USER MOD Single : A 158 THR OG1 : rot 79:sc= 0.0596 USER MOD Single : A 165 GLN : amide:sc= -0.128 K(o=-0.13,f=-1) USER MOD Single : A 166 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -2.329 -4.448 22.930 1.00 30.41 N ATOM 2 CA MET A 1 -2.822 -3.682 21.756 1.00 13.32 C ATOM 3 C MET A 1 -3.103 -4.601 20.574 1.00 23.23 C ATOM 4 O MET A 1 -2.410 -5.598 20.368 1.00 62.10 O ATOM 5 CB MET A 1 -1.770 -2.637 21.377 1.00 13.51 C ATOM 6 CG MET A 1 -0.453 -3.238 20.913 1.00 44.44 C ATOM 7 SD MET A 1 0.706 -3.498 22.270 1.00 30.45 S ATOM 8 CE MET A 1 0.879 -1.828 22.892 1.00 74.22 C ATOM 0 H1 MET A 1 -2.888 -4.195 23.769 1.00 30.41 H new ATOM 0 H2 MET A 1 -2.424 -5.467 22.745 1.00 30.41 H new ATOM 0 H3 MET A 1 -1.329 -4.219 23.099 1.00 30.41 H new ATOM 0 HA MET A 1 -3.760 -3.192 22.018 1.00 13.32 H new ATOM 0 HB2 MET A 1 -2.169 -2.003 20.585 1.00 13.51 H new ATOM 0 HB3 MET A 1 -1.583 -1.994 22.237 1.00 13.51 H new ATOM 0 HG2 MET A 1 -0.646 -4.190 20.418 1.00 44.44 H new ATOM 0 HG3 MET A 1 0.002 -2.580 20.173 1.00 44.44 H new ATOM 0 HE1 MET A 1 1.931 -1.620 23.089 1.00 74.22 H new ATOM 0 HE2 MET A 1 0.503 -1.123 22.151 1.00 74.22 H new ATOM 0 HE3 MET A 1 0.309 -1.723 23.815 1.00 74.22 H new ATOM 18 N THR A 2 -4.125 -4.255 19.802 1.00 21.42 N ATOM 19 CA THR A 2 -4.507 -5.040 18.637 1.00 22.30 C ATOM 20 C THR A 2 -3.414 -4.994 17.570 1.00 74.43 C ATOM 21 O THR A 2 -2.772 -3.964 17.369 1.00 3.14 O ATOM 22 CB THR A 2 -5.841 -4.525 18.080 1.00 74.14 C ATOM 23 OG1 THR A 2 -6.910 -5.351 18.504 1.00 51.14 O ATOM 24 CG2 THR A 2 -5.893 -4.457 16.570 1.00 25.43 C ATOM 0 H THR A 2 -4.706 -3.432 19.963 1.00 21.42 H new ATOM 0 HA THR A 2 -4.632 -6.080 18.937 1.00 22.30 H new ATOM 0 HB THR A 2 -5.934 -3.511 18.470 1.00 74.14 H new ATOM 0 HG1 THR A 2 -7.753 -5.007 18.141 1.00 51.14 H new ATOM 0 HG21 THR A 2 -6.868 -4.084 16.256 1.00 25.43 H new ATOM 0 HG22 THR A 2 -5.114 -3.786 16.209 1.00 25.43 H new ATOM 0 HG23 THR A 2 -5.735 -5.453 16.155 1.00 25.43 H new ATOM 32 N GLU A 3 -3.215 -6.117 16.889 1.00 54.30 N ATOM 33 CA GLU A 3 -2.206 -6.206 15.840 1.00 73.25 C ATOM 34 C GLU A 3 -2.851 -6.105 14.463 1.00 51.40 C ATOM 35 O GLU A 3 -3.739 -6.886 14.123 1.00 4.43 O ATOM 36 CB GLU A 3 -1.425 -7.518 15.962 1.00 50.53 C ATOM 37 CG GLU A 3 -0.014 -7.339 16.500 1.00 24.11 C ATOM 38 CD GLU A 3 0.701 -8.659 16.713 1.00 53.41 C ATOM 39 OE1 GLU A 3 0.496 -9.583 15.898 1.00 12.41 O ATOM 40 OE2 GLU A 3 1.466 -8.768 17.694 1.00 63.32 O ATOM 0 H GLU A 3 -3.739 -6.978 17.044 1.00 54.30 H new ATOM 0 HA GLU A 3 -1.514 -5.372 15.960 1.00 73.25 H new ATOM 0 HB2 GLU A 3 -1.971 -8.197 16.617 1.00 50.53 H new ATOM 0 HB3 GLU A 3 -1.374 -7.993 14.982 1.00 50.53 H new ATOM 0 HG2 GLU A 3 0.561 -6.727 15.805 1.00 24.11 H new ATOM 0 HG3 GLU A 3 -0.055 -6.796 17.444 1.00 24.11 H new ATOM 47 N TYR A 4 -2.400 -5.135 13.677 1.00 51.32 N ATOM 48 CA TYR A 4 -2.936 -4.927 12.338 1.00 72.20 C ATOM 49 C TYR A 4 -1.910 -5.298 11.273 1.00 2.22 C ATOM 50 O TYR A 4 -0.723 -5.000 11.408 1.00 53.13 O ATOM 51 CB TYR A 4 -3.368 -3.471 12.164 1.00 13.22 C ATOM 52 CG TYR A 4 -4.680 -3.148 12.840 1.00 45.14 C ATOM 53 CD1 TYR A 4 -5.829 -3.869 12.544 1.00 72.14 C ATOM 54 CD2 TYR A 4 -4.769 -2.123 13.773 1.00 51.32 C ATOM 55 CE1 TYR A 4 -7.032 -3.577 13.157 1.00 14.12 C ATOM 56 CE2 TYR A 4 -5.969 -1.826 14.392 1.00 41.32 C ATOM 57 CZ TYR A 4 -7.097 -2.555 14.080 1.00 55.34 C ATOM 58 OH TYR A 4 -8.293 -2.262 14.694 1.00 44.30 O ATOM 0 H TYR A 4 -1.665 -4.480 13.944 1.00 51.32 H new ATOM 0 HA TYR A 4 -3.804 -5.575 12.216 1.00 72.20 H new ATOM 0 HB2 TYR A 4 -2.592 -2.819 12.565 1.00 13.22 H new ATOM 0 HB3 TYR A 4 -3.452 -3.250 11.100 1.00 13.22 H new ATOM 0 HD1 TYR A 4 -5.781 -4.671 11.823 1.00 72.14 H new ATOM 0 HD2 TYR A 4 -3.888 -1.549 14.019 1.00 51.32 H new ATOM 0 HE1 TYR A 4 -7.917 -4.146 12.914 1.00 14.12 H new ATOM 0 HE2 TYR A 4 -6.023 -1.027 15.116 1.00 41.32 H new ATOM 0 HH TYR A 4 -8.167 -1.516 15.317 1.00 44.30 H new ATOM 68 N LYS A 5 -2.378 -5.948 10.214 1.00 20.42 N ATOM 69 CA LYS A 5 -1.505 -6.360 9.122 1.00 53.33 C ATOM 70 C LYS A 5 -1.809 -5.561 7.858 1.00 43.41 C ATOM 71 O LYS A 5 -2.754 -5.865 7.132 1.00 22.53 O ATOM 72 CB LYS A 5 -1.667 -7.857 8.847 1.00 52.24 C ATOM 73 CG LYS A 5 -0.415 -8.668 9.139 1.00 35.31 C ATOM 74 CD LYS A 5 0.219 -9.195 7.861 1.00 72.23 C ATOM 75 CE LYS A 5 1.481 -9.987 8.151 1.00 31.32 C ATOM 76 NZ LYS A 5 2.577 -9.120 8.666 1.00 52.12 N ATOM 0 H LYS A 5 -3.358 -6.201 10.088 1.00 20.42 H new ATOM 0 HA LYS A 5 -0.474 -6.164 9.417 1.00 53.33 H new ATOM 0 HB2 LYS A 5 -2.488 -8.242 9.451 1.00 52.24 H new ATOM 0 HB3 LYS A 5 -1.946 -7.998 7.803 1.00 52.24 H new ATOM 0 HG2 LYS A 5 0.304 -8.048 9.674 1.00 35.31 H new ATOM 0 HG3 LYS A 5 -0.666 -9.503 9.793 1.00 35.31 H new ATOM 0 HD2 LYS A 5 -0.495 -9.827 7.333 1.00 72.23 H new ATOM 0 HD3 LYS A 5 0.455 -8.361 7.200 1.00 72.23 H new ATOM 0 HE2 LYS A 5 1.261 -10.765 8.881 1.00 31.32 H new ATOM 0 HE3 LYS A 5 1.812 -10.488 7.241 1.00 31.32 H new ATOM 0 HZ1 LYS A 5 3.487 -9.613 8.564 1.00 52.12 H new ATOM 0 HZ2 LYS A 5 2.602 -8.233 8.124 1.00 52.12 H new ATOM 0 HZ3 LYS A 5 2.409 -8.907 9.670 1.00 52.12 H new ATOM 90 N LEU A 6 -1.000 -4.538 7.603 1.00 20.32 N ATOM 91 CA LEU A 6 -1.183 -3.698 6.427 1.00 32.33 C ATOM 92 C LEU A 6 -0.337 -4.204 5.264 1.00 35.23 C ATOM 93 O LEU A 6 0.856 -3.914 5.180 1.00 51.41 O ATOM 94 CB LEU A 6 -0.816 -2.245 6.745 1.00 33.51 C ATOM 95 CG LEU A 6 -1.485 -1.658 7.992 1.00 65.15 C ATOM 96 CD1 LEU A 6 -2.970 -1.986 8.014 1.00 50.25 C ATOM 97 CD2 LEU A 6 -0.805 -2.172 9.253 1.00 61.13 C ATOM 0 H LEU A 6 -0.213 -4.272 8.194 1.00 20.32 H new ATOM 0 HA LEU A 6 -2.233 -3.744 6.139 1.00 32.33 H new ATOM 0 HB2 LEU A 6 0.265 -2.179 6.868 1.00 33.51 H new ATOM 0 HB3 LEU A 6 -1.077 -1.626 5.887 1.00 33.51 H new ATOM 0 HG LEU A 6 -1.377 -0.574 7.958 1.00 65.15 H new ATOM 0 HD11 LEU A 6 -3.424 -1.559 8.908 1.00 50.25 H new ATOM 0 HD12 LEU A 6 -3.448 -1.567 7.129 1.00 50.25 H new ATOM 0 HD13 LEU A 6 -3.104 -3.068 8.021 1.00 50.25 H new ATOM 0 HD21 LEU A 6 -1.293 -1.745 10.129 1.00 61.13 H new ATOM 0 HD22 LEU A 6 -0.880 -3.259 9.290 1.00 61.13 H new ATOM 0 HD23 LEU A 6 0.245 -1.881 9.245 1.00 61.13 H new ATOM 109 N VAL A 7 -0.961 -4.965 4.370 1.00 53.52 N ATOM 110 CA VAL A 7 -0.264 -5.511 3.217 1.00 23.13 C ATOM 111 C VAL A 7 -0.128 -4.467 2.115 1.00 63.41 C ATOM 112 O VAL A 7 -1.066 -3.725 1.828 1.00 31.35 O ATOM 113 CB VAL A 7 -0.989 -6.747 2.658 1.00 23.44 C ATOM 114 CG1 VAL A 7 -0.195 -7.361 1.518 1.00 74.12 C ATOM 115 CG2 VAL A 7 -1.227 -7.766 3.761 1.00 24.33 C ATOM 0 H VAL A 7 -1.948 -5.216 4.424 1.00 53.52 H new ATOM 0 HA VAL A 7 0.729 -5.807 3.555 1.00 23.13 H new ATOM 0 HB VAL A 7 -1.957 -6.434 2.267 1.00 23.44 H new ATOM 0 HG11 VAL A 7 -0.724 -8.234 1.135 1.00 74.12 H new ATOM 0 HG12 VAL A 7 -0.079 -6.628 0.719 1.00 74.12 H new ATOM 0 HG13 VAL A 7 0.788 -7.662 1.880 1.00 74.12 H new ATOM 0 HG21 VAL A 7 -1.741 -8.635 3.349 1.00 24.33 H new ATOM 0 HG22 VAL A 7 -0.271 -8.076 4.182 1.00 24.33 H new ATOM 0 HG23 VAL A 7 -1.840 -7.319 4.543 1.00 24.33 H new ATOM 125 N VAL A 8 1.052 -4.412 1.511 1.00 22.53 N ATOM 126 CA VAL A 8 1.324 -3.456 0.448 1.00 35.33 C ATOM 127 C VAL A 8 1.705 -4.160 -0.850 1.00 10.10 C ATOM 128 O VAL A 8 2.333 -5.218 -0.835 1.00 3.41 O ATOM 129 CB VAL A 8 2.460 -2.495 0.845 1.00 64.34 C ATOM 130 CG1 VAL A 8 2.448 -1.262 -0.042 1.00 24.22 C ATOM 131 CG2 VAL A 8 2.348 -2.110 2.313 1.00 4.11 C ATOM 0 H VAL A 8 1.838 -5.021 1.741 1.00 22.53 H new ATOM 0 HA VAL A 8 0.406 -2.889 0.291 1.00 35.33 H new ATOM 0 HB VAL A 8 3.412 -3.007 0.702 1.00 64.34 H new ATOM 0 HG11 VAL A 8 3.257 -0.594 0.253 1.00 24.22 H new ATOM 0 HG12 VAL A 8 2.584 -1.560 -1.082 1.00 24.22 H new ATOM 0 HG13 VAL A 8 1.494 -0.746 0.066 1.00 24.22 H new ATOM 0 HG21 VAL A 8 3.160 -1.431 2.574 1.00 4.11 H new ATOM 0 HG22 VAL A 8 1.392 -1.617 2.488 1.00 4.11 H new ATOM 0 HG23 VAL A 8 2.412 -3.006 2.930 1.00 4.11 H new ATOM 141 N VAL A 9 1.325 -3.559 -1.973 1.00 31.54 N ATOM 142 CA VAL A 9 1.630 -4.119 -3.284 1.00 33.40 C ATOM 143 C VAL A 9 2.352 -3.095 -4.153 1.00 50.31 C ATOM 144 O VAL A 9 2.365 -1.904 -3.841 1.00 30.31 O ATOM 145 CB VAL A 9 0.354 -4.585 -4.010 1.00 40.40 C ATOM 146 CG1 VAL A 9 -0.155 -5.889 -3.414 1.00 0.34 C ATOM 147 CG2 VAL A 9 -0.720 -3.509 -3.951 1.00 11.13 C ATOM 0 H VAL A 9 0.804 -2.682 -2.001 1.00 31.54 H new ATOM 0 HA VAL A 9 2.276 -4.982 -3.121 1.00 33.40 H new ATOM 0 HB VAL A 9 0.600 -4.762 -5.057 1.00 40.40 H new ATOM 0 HG11 VAL A 9 -1.057 -6.202 -3.940 1.00 0.34 H new ATOM 0 HG12 VAL A 9 0.610 -6.659 -3.516 1.00 0.34 H new ATOM 0 HG13 VAL A 9 -0.383 -5.742 -2.358 1.00 0.34 H new ATOM 0 HG21 VAL A 9 -1.613 -3.858 -4.469 1.00 11.13 H new ATOM 0 HG22 VAL A 9 -0.964 -3.296 -2.910 1.00 11.13 H new ATOM 0 HG23 VAL A 9 -0.353 -2.602 -4.431 1.00 11.13 H new ATOM 157 N GLY A 10 2.956 -3.562 -5.241 1.00 10.20 N ATOM 158 CA GLY A 10 3.672 -2.664 -6.129 1.00 51.22 C ATOM 159 C GLY A 10 3.740 -3.179 -7.552 1.00 60.03 C ATOM 160 O GLY A 10 3.526 -4.365 -7.804 1.00 4.44 O ATOM 0 H GLY A 10 2.963 -4.542 -5.523 1.00 10.20 H new ATOM 0 HA2 GLY A 10 3.185 -1.689 -6.123 1.00 51.22 H new ATOM 0 HA3 GLY A 10 4.684 -2.517 -5.752 1.00 51.22 H new ATOM 164 N ALA A 11 4.042 -2.283 -8.486 1.00 64.12 N ATOM 165 CA ALA A 11 4.141 -2.648 -9.894 1.00 11.43 C ATOM 166 C ALA A 11 5.576 -2.519 -10.398 1.00 52.03 C ATOM 167 O ALA A 11 5.811 -2.383 -11.599 1.00 53.04 O ATOM 168 CB ALA A 11 3.208 -1.784 -10.729 1.00 55.24 C ATOM 0 H ALA A 11 4.223 -1.298 -8.293 1.00 64.12 H new ATOM 0 HA ALA A 11 3.842 -3.691 -9.994 1.00 11.43 H new ATOM 0 HB1 ALA A 11 3.292 -2.067 -11.778 1.00 55.24 H new ATOM 0 HB2 ALA A 11 2.181 -1.930 -10.395 1.00 55.24 H new ATOM 0 HB3 ALA A 11 3.482 -0.735 -10.613 1.00 55.24 H new ATOM 174 N GLY A 12 6.533 -2.565 -9.475 1.00 73.41 N ATOM 175 CA GLY A 12 7.930 -2.454 -9.849 1.00 45.31 C ATOM 176 C GLY A 12 8.318 -1.046 -10.256 1.00 21.14 C ATOM 177 O GLY A 12 9.233 -0.856 -11.057 1.00 21.05 O ATOM 0 H GLY A 12 6.365 -2.677 -8.475 1.00 73.41 H new ATOM 0 HA2 GLY A 12 8.552 -2.770 -9.011 1.00 45.31 H new ATOM 0 HA3 GLY A 12 8.136 -3.136 -10.674 1.00 45.31 H new ATOM 181 N GLY A 13 7.623 -0.055 -9.705 1.00 31.11 N ATOM 182 CA GLY A 13 7.922 1.328 -10.033 1.00 75.10 C ATOM 183 C GLY A 13 6.842 2.288 -9.573 1.00 63.22 C ATOM 184 O GLY A 13 6.492 3.226 -10.290 1.00 25.43 O ATOM 0 H GLY A 13 6.861 -0.184 -9.040 1.00 31.11 H new ATOM 0 HA2 GLY A 13 8.870 1.608 -9.575 1.00 75.10 H new ATOM 0 HA3 GLY A 13 8.049 1.421 -11.111 1.00 75.10 H new ATOM 188 N VAL A 14 6.313 2.057 -8.376 1.00 14.20 N ATOM 189 CA VAL A 14 5.266 2.914 -7.826 1.00 11.40 C ATOM 190 C VAL A 14 5.698 3.568 -6.513 1.00 15.14 C ATOM 191 O VAL A 14 4.991 4.423 -5.979 1.00 43.13 O ATOM 192 CB VAL A 14 3.963 2.127 -7.588 1.00 22.25 C ATOM 193 CG1 VAL A 14 3.397 1.620 -8.906 1.00 73.12 C ATOM 194 CG2 VAL A 14 4.199 0.976 -6.621 1.00 43.34 C ATOM 0 H VAL A 14 6.590 1.286 -7.769 1.00 14.20 H new ATOM 0 HA VAL A 14 5.087 3.693 -8.567 1.00 11.40 H new ATOM 0 HB VAL A 14 3.232 2.800 -7.140 1.00 22.25 H new ATOM 0 HG11 VAL A 14 2.477 1.067 -8.718 1.00 73.12 H new ATOM 0 HG12 VAL A 14 3.185 2.466 -9.560 1.00 73.12 H new ATOM 0 HG13 VAL A 14 4.123 0.964 -9.386 1.00 73.12 H new ATOM 0 HG21 VAL A 14 3.266 0.433 -6.467 1.00 43.34 H new ATOM 0 HG22 VAL A 14 4.948 0.301 -7.035 1.00 43.34 H new ATOM 0 HG23 VAL A 14 4.552 1.369 -5.667 1.00 43.34 H new ATOM 204 N GLY A 15 6.857 3.169 -5.995 1.00 45.02 N ATOM 205 CA GLY A 15 7.347 3.736 -4.752 1.00 14.41 C ATOM 206 C GLY A 15 6.517 3.317 -3.555 1.00 11.44 C ATOM 207 O GLY A 15 6.245 4.125 -2.667 1.00 74.02 O ATOM 0 H GLY A 15 7.464 2.464 -6.414 1.00 45.02 H new ATOM 0 HA2 GLY A 15 8.381 3.428 -4.599 1.00 14.41 H new ATOM 0 HA3 GLY A 15 7.347 4.823 -4.827 1.00 14.41 H new ATOM 211 N LYS A 16 6.112 2.051 -3.529 1.00 25.20 N ATOM 212 CA LYS A 16 5.308 1.529 -2.430 1.00 4.32 C ATOM 213 C LYS A 16 6.191 1.135 -1.249 1.00 64.42 C ATOM 214 O LYS A 16 5.775 1.221 -0.094 1.00 30.22 O ATOM 215 CB LYS A 16 4.486 0.324 -2.895 1.00 40.32 C ATOM 216 CG LYS A 16 5.329 -0.891 -3.250 1.00 71.52 C ATOM 217 CD LYS A 16 5.203 -1.984 -2.200 1.00 4.40 C ATOM 218 CE LYS A 16 6.095 -3.172 -2.521 1.00 61.01 C ATOM 219 NZ LYS A 16 5.784 -4.348 -1.663 1.00 1.31 N ATOM 0 H LYS A 16 6.327 1.368 -4.256 1.00 25.20 H new ATOM 0 HA LYS A 16 4.628 2.317 -2.105 1.00 4.32 H new ATOM 0 HB2 LYS A 16 3.783 0.050 -2.109 1.00 40.32 H new ATOM 0 HB3 LYS A 16 3.895 0.612 -3.765 1.00 40.32 H new ATOM 0 HG2 LYS A 16 5.019 -1.280 -4.220 1.00 71.52 H new ATOM 0 HG3 LYS A 16 6.374 -0.595 -3.345 1.00 71.52 H new ATOM 0 HD2 LYS A 16 5.468 -1.582 -1.222 1.00 4.40 H new ATOM 0 HD3 LYS A 16 4.166 -2.313 -2.139 1.00 4.40 H new ATOM 0 HE2 LYS A 16 5.973 -3.445 -3.569 1.00 61.01 H new ATOM 0 HE3 LYS A 16 7.139 -2.889 -2.385 1.00 61.01 H new ATOM 0 HZ1 LYS A 16 6.650 -4.903 -1.508 1.00 1.31 H new ATOM 0 HZ2 LYS A 16 5.413 -4.022 -0.748 1.00 1.31 H new ATOM 0 HZ3 LYS A 16 5.072 -4.942 -2.133 1.00 1.31 H new ATOM 233 N SER A 17 7.413 0.706 -1.548 1.00 24.11 N ATOM 234 CA SER A 17 8.356 0.302 -0.510 1.00 32.24 C ATOM 235 C SER A 17 8.815 1.509 0.301 1.00 33.32 C ATOM 236 O SER A 17 9.109 1.395 1.491 1.00 53.11 O ATOM 237 CB SER A 17 9.567 -0.399 -1.131 1.00 44.22 C ATOM 238 OG SER A 17 9.192 -1.169 -2.261 1.00 1.11 O ATOM 0 H SER A 17 7.774 0.629 -2.499 1.00 24.11 H new ATOM 0 HA SER A 17 7.848 -0.394 0.157 1.00 32.24 H new ATOM 0 HB2 SER A 17 10.309 0.344 -1.424 1.00 44.22 H new ATOM 0 HB3 SER A 17 10.037 -1.044 -0.388 1.00 44.22 H new ATOM 0 HG SER A 17 9.985 -1.604 -2.638 1.00 1.11 H new ATOM 244 N ALA A 18 8.874 2.665 -0.352 1.00 64.12 N ATOM 245 CA ALA A 18 9.296 3.895 0.305 1.00 11.10 C ATOM 246 C ALA A 18 8.222 4.405 1.260 1.00 73.23 C ATOM 247 O ALA A 18 8.520 4.822 2.380 1.00 32.40 O ATOM 248 CB ALA A 18 9.630 4.955 -0.733 1.00 31.23 C ATOM 0 H ALA A 18 8.634 2.775 -1.337 1.00 64.12 H new ATOM 0 HA ALA A 18 10.190 3.679 0.890 1.00 11.10 H new ATOM 0 HB1 ALA A 18 9.944 5.870 -0.231 1.00 31.23 H new ATOM 0 HB2 ALA A 18 10.437 4.597 -1.372 1.00 31.23 H new ATOM 0 HB3 ALA A 18 8.749 5.159 -1.341 1.00 31.23 H new ATOM 254 N LEU A 19 6.971 4.368 0.810 1.00 41.33 N ATOM 255 CA LEU A 19 5.846 4.826 1.622 1.00 5.41 C ATOM 256 C LEU A 19 5.863 4.174 3.004 1.00 53.15 C ATOM 257 O LEU A 19 5.600 4.829 4.013 1.00 1.21 O ATOM 258 CB LEU A 19 4.523 4.518 0.914 1.00 33.54 C ATOM 259 CG LEU A 19 3.749 5.743 0.423 1.00 73.31 C ATOM 260 CD1 LEU A 19 3.107 5.466 -0.927 1.00 63.45 C ATOM 261 CD2 LEU A 19 2.693 6.149 1.442 1.00 34.20 C ATOM 0 H LEU A 19 6.710 4.025 -0.114 1.00 41.33 H new ATOM 0 HA LEU A 19 5.941 5.904 1.752 1.00 5.41 H new ATOM 0 HB2 LEU A 19 4.727 3.871 0.061 1.00 33.54 H new ATOM 0 HB3 LEU A 19 3.886 3.955 1.596 1.00 33.54 H new ATOM 0 HG LEU A 19 4.452 6.568 0.305 1.00 73.31 H new ATOM 0 HD11 LEU A 19 2.561 6.349 -1.259 1.00 63.45 H new ATOM 0 HD12 LEU A 19 3.881 5.223 -1.655 1.00 63.45 H new ATOM 0 HD13 LEU A 19 2.418 4.627 -0.837 1.00 63.45 H new ATOM 0 HD21 LEU A 19 2.152 7.022 1.077 1.00 34.20 H new ATOM 0 HD22 LEU A 19 1.995 5.325 1.591 1.00 34.20 H new ATOM 0 HD23 LEU A 19 3.175 6.391 2.389 1.00 34.20 H new ATOM 273 N THR A 20 6.170 2.882 3.039 1.00 44.31 N ATOM 274 CA THR A 20 6.218 2.141 4.295 1.00 0.10 C ATOM 275 C THR A 20 7.363 2.630 5.177 1.00 41.32 C ATOM 276 O THR A 20 7.156 2.992 6.335 1.00 42.23 O ATOM 277 CB THR A 20 6.374 0.644 4.020 1.00 12.53 C ATOM 278 OG1 THR A 20 5.300 0.165 3.229 1.00 43.44 O ATOM 279 CG2 THR A 20 6.425 -0.195 5.279 1.00 22.42 C ATOM 0 H THR A 20 6.389 2.326 2.213 1.00 44.31 H new ATOM 0 HA THR A 20 5.281 2.313 4.824 1.00 0.10 H new ATOM 0 HB THR A 20 7.326 0.545 3.498 1.00 12.53 H new ATOM 0 HG1 THR A 20 5.433 -0.787 3.040 1.00 43.44 H new ATOM 0 HG21 THR A 20 6.536 -1.246 5.012 1.00 22.42 H new ATOM 0 HG22 THR A 20 7.273 0.116 5.889 1.00 22.42 H new ATOM 0 HG23 THR A 20 5.503 -0.060 5.844 1.00 22.42 H new ATOM 287 N ILE A 21 8.570 2.637 4.622 1.00 73.42 N ATOM 288 CA ILE A 21 9.744 3.076 5.347 1.00 44.10 C ATOM 289 C ILE A 21 9.596 4.522 5.816 1.00 34.10 C ATOM 290 O ILE A 21 10.186 4.921 6.820 1.00 61.14 O ATOM 291 CB ILE A 21 10.997 2.937 4.461 1.00 44.30 C ATOM 292 CG1 ILE A 21 11.292 1.461 4.189 1.00 73.21 C ATOM 293 CG2 ILE A 21 12.189 3.602 5.113 1.00 62.42 C ATOM 294 CD1 ILE A 21 12.261 1.238 3.048 1.00 15.43 C ATOM 0 H ILE A 21 8.756 2.340 3.664 1.00 73.42 H new ATOM 0 HA ILE A 21 9.852 2.442 6.227 1.00 44.10 H new ATOM 0 HB ILE A 21 10.805 3.436 3.511 1.00 44.30 H new ATOM 0 HG12 ILE A 21 11.698 1.007 5.093 1.00 73.21 H new ATOM 0 HG13 ILE A 21 10.357 0.947 3.966 1.00 73.21 H new ATOM 0 HG21 ILE A 21 13.063 3.492 4.471 1.00 62.42 H new ATOM 0 HG22 ILE A 21 11.979 4.661 5.262 1.00 62.42 H new ATOM 0 HG23 ILE A 21 12.385 3.132 6.077 1.00 62.42 H new ATOM 0 HD11 ILE A 21 12.423 0.169 2.912 1.00 15.43 H new ATOM 0 HD12 ILE A 21 11.849 1.662 2.132 1.00 15.43 H new ATOM 0 HD13 ILE A 21 13.210 1.723 3.277 1.00 15.43 H new ATOM 306 N GLN A 22 8.804 5.303 5.087 1.00 51.35 N ATOM 307 CA GLN A 22 8.581 6.702 5.437 1.00 33.31 C ATOM 308 C GLN A 22 7.983 6.821 6.834 1.00 72.22 C ATOM 309 O GLN A 22 8.381 7.678 7.622 1.00 3.51 O ATOM 310 CB GLN A 22 7.653 7.365 4.416 1.00 33.23 C ATOM 311 CG GLN A 22 8.375 7.908 3.194 1.00 35.42 C ATOM 312 CD GLN A 22 9.528 8.826 3.554 1.00 34.44 C ATOM 313 OE1 GLN A 22 9.441 9.608 4.500 1.00 3.34 O ATOM 314 NE2 GLN A 22 10.616 8.734 2.798 1.00 12.30 N ATOM 0 H GLN A 22 8.307 4.992 4.252 1.00 51.35 H new ATOM 0 HA GLN A 22 9.544 7.212 5.426 1.00 33.31 H new ATOM 0 HB2 GLN A 22 6.906 6.640 4.093 1.00 33.23 H new ATOM 0 HB3 GLN A 22 7.117 8.180 4.902 1.00 33.23 H new ATOM 0 HG2 GLN A 22 8.751 7.075 2.600 1.00 35.42 H new ATOM 0 HG3 GLN A 22 7.665 8.451 2.569 1.00 35.42 H new ATOM 0 HE21 GLN A 22 10.644 8.071 2.023 1.00 12.30 H new ATOM 0 HE22 GLN A 22 11.423 9.326 2.992 1.00 12.30 H new ATOM 323 N LEU A 23 7.022 5.955 7.132 1.00 63.04 N ATOM 324 CA LEU A 23 6.362 5.958 8.432 1.00 44.41 C ATOM 325 C LEU A 23 7.277 5.393 9.517 1.00 34.04 C ATOM 326 O LEU A 23 7.079 5.652 10.704 1.00 10.52 O ATOM 327 CB LEU A 23 5.068 5.143 8.365 1.00 74.32 C ATOM 328 CG LEU A 23 4.166 5.247 9.596 1.00 2.33 C ATOM 329 CD1 LEU A 23 3.709 6.682 9.805 1.00 44.11 C ATOM 330 CD2 LEU A 23 2.969 4.319 9.454 1.00 12.44 C ATOM 0 H LEU A 23 6.682 5.240 6.489 1.00 63.04 H new ATOM 0 HA LEU A 23 6.126 6.991 8.689 1.00 44.41 H new ATOM 0 HB2 LEU A 23 4.501 5.464 7.491 1.00 74.32 H new ATOM 0 HB3 LEU A 23 5.325 4.095 8.211 1.00 74.32 H new ATOM 0 HG LEU A 23 4.739 4.941 10.471 1.00 2.33 H new ATOM 0 HD11 LEU A 23 3.068 6.735 10.685 1.00 44.11 H new ATOM 0 HD12 LEU A 23 4.578 7.323 9.949 1.00 44.11 H new ATOM 0 HD13 LEU A 23 3.152 7.018 8.930 1.00 44.11 H new ATOM 0 HD21 LEU A 23 2.336 4.404 10.337 1.00 12.44 H new ATOM 0 HD22 LEU A 23 2.396 4.597 8.569 1.00 12.44 H new ATOM 0 HD23 LEU A 23 3.316 3.291 9.353 1.00 12.44 H new ATOM 342 N ILE A 24 8.274 4.613 9.105 1.00 4.54 N ATOM 343 CA ILE A 24 9.207 4.007 10.047 1.00 61.14 C ATOM 344 C ILE A 24 10.346 4.957 10.413 1.00 45.52 C ATOM 345 O ILE A 24 10.416 5.447 11.539 1.00 4.31 O ATOM 346 CB ILE A 24 9.802 2.701 9.485 1.00 1.32 C ATOM 347 CG1 ILE A 24 8.683 1.754 9.054 1.00 53.21 C ATOM 348 CG2 ILE A 24 10.694 2.035 10.522 1.00 32.11 C ATOM 349 CD1 ILE A 24 7.859 1.238 10.211 1.00 23.12 C ATOM 0 H ILE A 24 8.455 4.387 8.127 1.00 4.54 H new ATOM 0 HA ILE A 24 8.633 3.785 10.947 1.00 61.14 H new ATOM 0 HB ILE A 24 10.410 2.941 8.612 1.00 1.32 H new ATOM 0 HG12 ILE A 24 8.028 2.271 8.353 1.00 53.21 H new ATOM 0 HG13 ILE A 24 9.117 0.909 8.520 1.00 53.21 H new ATOM 0 HG21 ILE A 24 11.106 1.114 10.110 1.00 32.11 H new ATOM 0 HG22 ILE A 24 11.508 2.709 10.789 1.00 32.11 H new ATOM 0 HG23 ILE A 24 10.108 1.804 11.411 1.00 32.11 H new ATOM 0 HD11 ILE A 24 7.082 0.571 9.836 1.00 23.12 H new ATOM 0 HD12 ILE A 24 8.503 0.693 10.902 1.00 23.12 H new ATOM 0 HD13 ILE A 24 7.397 2.077 10.731 1.00 23.12 H new ATOM 361 N GLN A 25 11.247 5.200 9.464 1.00 54.33 N ATOM 362 CA GLN A 25 12.389 6.076 9.706 1.00 21.51 C ATOM 363 C GLN A 25 12.216 7.429 9.017 1.00 22.14 C ATOM 364 O GLN A 25 12.907 8.392 9.347 1.00 33.12 O ATOM 365 CB GLN A 25 13.686 5.416 9.225 1.00 75.30 C ATOM 366 CG GLN A 25 13.644 3.895 9.229 1.00 50.21 C ATOM 367 CD GLN A 25 15.009 3.274 9.004 1.00 42.15 C ATOM 368 OE1 GLN A 25 16.020 3.770 9.501 1.00 31.34 O ATOM 369 NE2 GLN A 25 15.045 2.182 8.248 1.00 35.51 N ATOM 0 H GLN A 25 11.208 4.804 8.525 1.00 54.33 H new ATOM 0 HA GLN A 25 12.446 6.244 10.781 1.00 21.51 H new ATOM 0 HB2 GLN A 25 13.904 5.761 8.214 1.00 75.30 H new ATOM 0 HB3 GLN A 25 14.508 5.748 9.859 1.00 75.30 H new ATOM 0 HG2 GLN A 25 13.244 3.549 10.182 1.00 50.21 H new ATOM 0 HG3 GLN A 25 12.960 3.552 8.453 1.00 50.21 H new ATOM 0 HE21 GLN A 25 14.182 1.805 7.856 1.00 35.51 H new ATOM 0 HE22 GLN A 25 15.935 1.721 8.060 1.00 35.51 H new ATOM 588 N TYR A 40 8.174 -3.845 7.969 1.00 62.00 N ATOM 589 CA TYR A 40 8.332 -2.949 9.110 1.00 70.55 C ATOM 590 C TYR A 40 7.027 -2.826 9.891 1.00 43.34 C ATOM 591 O TYR A 40 5.960 -3.187 9.396 1.00 63.12 O ATOM 592 CB TYR A 40 8.789 -1.567 8.640 1.00 20.31 C ATOM 593 CG TYR A 40 9.843 -1.615 7.557 1.00 33.43 C ATOM 594 CD1 TYR A 40 9.488 -1.792 6.226 1.00 14.24 C ATOM 595 CD2 TYR A 40 11.191 -1.486 7.866 1.00 12.52 C ATOM 596 CE1 TYR A 40 10.447 -1.840 5.233 1.00 71.15 C ATOM 597 CE2 TYR A 40 12.156 -1.532 6.879 1.00 4.44 C ATOM 598 CZ TYR A 40 11.779 -1.709 5.564 1.00 33.21 C ATOM 599 OH TYR A 40 12.738 -1.755 4.578 1.00 54.22 O ATOM 0 HA TYR A 40 9.091 -3.371 9.769 1.00 70.55 H new ATOM 0 HB2 TYR A 40 7.925 -1.014 8.271 1.00 20.31 H new ATOM 0 HB3 TYR A 40 9.181 -1.013 9.493 1.00 20.31 H new ATOM 0 HD1 TYR A 40 8.445 -1.894 5.963 1.00 14.24 H new ATOM 0 HD2 TYR A 40 11.489 -1.347 8.895 1.00 12.52 H new ATOM 0 HE1 TYR A 40 10.155 -1.979 4.203 1.00 71.15 H new ATOM 0 HE2 TYR A 40 13.200 -1.430 7.135 1.00 4.44 H new ATOM 0 HH TYR A 40 13.625 -1.646 4.979 1.00 54.22 H new ATOM 609 N ARG A 41 7.122 -2.312 11.113 1.00 31.32 N ATOM 610 CA ARG A 41 5.948 -2.140 11.962 1.00 60.33 C ATOM 611 C ARG A 41 6.101 -0.916 12.861 1.00 42.24 C ATOM 612 O ARG A 41 7.212 -0.443 13.099 1.00 12.33 O ATOM 613 CB ARG A 41 5.720 -3.390 12.815 1.00 4.22 C ATOM 614 CG ARG A 41 6.813 -3.636 13.843 1.00 22.34 C ATOM 615 CD ARG A 41 6.750 -5.050 14.395 1.00 64.10 C ATOM 616 NE ARG A 41 7.713 -5.260 15.474 1.00 44.14 N ATOM 617 CZ ARG A 41 7.849 -6.408 16.133 1.00 63.41 C ATOM 618 NH1 ARG A 41 7.088 -7.452 15.827 1.00 22.31 N ATOM 619 NH2 ARG A 41 8.749 -6.514 17.101 1.00 53.31 N ATOM 0 H ARG A 41 7.998 -2.008 11.537 1.00 31.32 H new ATOM 0 HA ARG A 41 5.083 -1.988 11.316 1.00 60.33 H new ATOM 0 HB2 ARG A 41 4.763 -3.298 13.330 1.00 4.22 H new ATOM 0 HB3 ARG A 41 5.648 -4.258 12.160 1.00 4.22 H new ATOM 0 HG2 ARG A 41 7.788 -3.466 13.387 1.00 22.34 H new ATOM 0 HG3 ARG A 41 6.714 -2.921 14.659 1.00 22.34 H new ATOM 0 HD2 ARG A 41 5.744 -5.251 14.763 1.00 64.10 H new ATOM 0 HD3 ARG A 41 6.944 -5.761 13.592 1.00 64.10 H new ATOM 0 HE ARG A 41 8.316 -4.481 15.737 1.00 44.14 H new ATOM 0 HH11 ARG A 41 6.394 -7.377 15.083 1.00 22.31 H new ATOM 0 HH12 ARG A 41 7.197 -8.329 16.336 1.00 22.31 H new ATOM 0 HH21 ARG A 41 9.337 -5.716 17.340 1.00 53.31 H new ATOM 0 HH22 ARG A 41 8.853 -7.394 17.606 1.00 53.31 H new ATOM 633 N LYS A 42 4.977 -0.409 13.357 1.00 62.11 N ATOM 634 CA LYS A 42 4.986 0.758 14.231 1.00 24.15 C ATOM 635 C LYS A 42 3.715 0.817 15.071 1.00 74.34 C ATOM 636 O LYS A 42 2.644 0.405 14.626 1.00 34.32 O ATOM 637 CB LYS A 42 5.125 2.039 13.407 1.00 4.33 C ATOM 638 CG LYS A 42 5.752 3.191 14.174 1.00 41.33 C ATOM 639 CD LYS A 42 6.105 4.347 13.253 1.00 15.31 C ATOM 640 CE LYS A 42 6.786 5.475 14.010 1.00 52.11 C ATOM 641 NZ LYS A 42 7.088 6.635 13.127 1.00 31.12 N ATOM 0 H LYS A 42 4.049 -0.788 13.169 1.00 62.11 H new ATOM 0 HA LYS A 42 5.841 0.671 14.901 1.00 24.15 H new ATOM 0 HB2 LYS A 42 5.729 1.829 12.524 1.00 4.33 H new ATOM 0 HB3 LYS A 42 4.140 2.342 13.054 1.00 4.33 H new ATOM 0 HG2 LYS A 42 5.061 3.536 14.944 1.00 41.33 H new ATOM 0 HG3 LYS A 42 6.650 2.844 14.684 1.00 41.33 H new ATOM 0 HD2 LYS A 42 6.761 3.993 12.458 1.00 15.31 H new ATOM 0 HD3 LYS A 42 5.200 4.722 12.775 1.00 15.31 H new ATOM 0 HE2 LYS A 42 6.145 5.800 14.830 1.00 52.11 H new ATOM 0 HE3 LYS A 42 7.711 5.107 14.455 1.00 52.11 H new ATOM 0 HZ1 LYS A 42 8.101 6.861 13.186 1.00 31.12 H new ATOM 0 HZ2 LYS A 42 6.843 6.397 12.145 1.00 31.12 H new ATOM 0 HZ3 LYS A 42 6.531 7.458 13.433 1.00 31.12 H new ATOM 655 N GLN A 43 3.841 1.334 16.289 1.00 20.51 N ATOM 656 CA GLN A 43 2.703 1.448 17.193 1.00 31.44 C ATOM 657 C GLN A 43 2.180 2.881 17.230 1.00 12.02 C ATOM 658 O GLN A 43 2.925 3.815 17.528 1.00 2.34 O ATOM 659 CB GLN A 43 3.098 1.001 18.601 1.00 25.41 C ATOM 660 CG GLN A 43 1.944 1.017 19.590 1.00 4.54 C ATOM 661 CD GLN A 43 2.272 1.778 20.860 1.00 23.03 C ATOM 662 OE1 GLN A 43 1.467 2.788 21.169 1.00 63.11 O flip ATOM 663 NE2 GLN A 43 3.238 1.463 21.555 1.00 12.34 N flip ATOM 0 H GLN A 43 4.720 1.681 16.672 1.00 20.51 H new ATOM 0 HA GLN A 43 1.909 0.800 16.822 1.00 31.44 H new ATOM 0 HB2 GLN A 43 3.509 -0.007 18.551 1.00 25.41 H new ATOM 0 HB3 GLN A 43 3.891 1.651 18.970 1.00 25.41 H new ATOM 0 HG2 GLN A 43 1.071 1.467 19.117 1.00 4.54 H new ATOM 0 HG3 GLN A 43 1.675 -0.008 19.845 1.00 4.54 H new ATOM 0 HE21 GLN A 43 3.830 0.680 21.280 1.00 12.34 H new ATOM 0 HE22 GLN A 43 3.446 1.985 22.406 1.00 12.34 H new ATOM 672 N VAL A 44 0.897 3.047 16.927 1.00 53.00 N ATOM 673 CA VAL A 44 0.278 4.367 16.926 1.00 64.24 C ATOM 674 C VAL A 44 -1.076 4.340 17.629 1.00 24.54 C ATOM 675 O VAL A 44 -1.509 3.299 18.124 1.00 73.53 O ATOM 676 CB VAL A 44 0.091 4.900 15.492 1.00 22.55 C ATOM 677 CG1 VAL A 44 1.435 5.041 14.796 1.00 64.51 C ATOM 678 CG2 VAL A 44 -0.835 3.991 14.698 1.00 54.32 C ATOM 0 H VAL A 44 0.266 2.285 16.679 1.00 53.00 H new ATOM 0 HA VAL A 44 0.951 5.032 17.467 1.00 64.24 H new ATOM 0 HB VAL A 44 -0.369 5.886 15.549 1.00 22.55 H new ATOM 0 HG11 VAL A 44 1.283 5.418 13.785 1.00 64.51 H new ATOM 0 HG12 VAL A 44 2.062 5.737 15.353 1.00 64.51 H new ATOM 0 HG13 VAL A 44 1.925 4.068 14.750 1.00 64.51 H new ATOM 0 HG21 VAL A 44 -0.954 4.385 13.689 1.00 54.32 H new ATOM 0 HG22 VAL A 44 -0.407 2.990 14.649 1.00 54.32 H new ATOM 0 HG23 VAL A 44 -1.808 3.946 15.187 1.00 54.32 H new ATOM 688 N VAL A 45 -1.740 5.490 17.667 1.00 35.40 N ATOM 689 CA VAL A 45 -3.045 5.598 18.307 1.00 4.55 C ATOM 690 C VAL A 45 -4.103 6.075 17.318 1.00 44.20 C ATOM 691 O VAL A 45 -4.197 7.266 17.021 1.00 75.32 O ATOM 692 CB VAL A 45 -3.005 6.564 19.505 1.00 72.23 C ATOM 693 CG1 VAL A 45 -4.323 6.532 20.264 1.00 42.23 C ATOM 694 CG2 VAL A 45 -1.843 6.224 20.426 1.00 43.10 C ATOM 0 H VAL A 45 -1.396 6.360 17.262 1.00 35.40 H new ATOM 0 HA VAL A 45 -3.307 4.602 18.663 1.00 4.55 H new ATOM 0 HB VAL A 45 -2.856 7.575 19.127 1.00 72.23 H new ATOM 0 HG11 VAL A 45 -4.274 7.221 21.107 1.00 42.23 H new ATOM 0 HG12 VAL A 45 -5.133 6.829 19.598 1.00 42.23 H new ATOM 0 HG13 VAL A 45 -4.507 5.522 20.631 1.00 42.23 H new ATOM 0 HG21 VAL A 45 -1.831 6.917 21.267 1.00 43.10 H new ATOM 0 HG22 VAL A 45 -1.959 5.206 20.797 1.00 43.10 H new ATOM 0 HG23 VAL A 45 -0.906 6.305 19.875 1.00 43.10 H new ATOM 704 N ILE A 46 -4.898 5.138 16.811 1.00 54.24 N ATOM 705 CA ILE A 46 -5.950 5.463 15.856 1.00 31.44 C ATOM 706 C ILE A 46 -7.327 5.149 16.431 1.00 52.34 C ATOM 707 O ILE A 46 -7.528 4.105 17.053 1.00 55.34 O ATOM 708 CB ILE A 46 -5.765 4.693 14.532 1.00 62.21 C ATOM 709 CG1 ILE A 46 -4.353 4.908 13.987 1.00 53.55 C ATOM 710 CG2 ILE A 46 -6.804 5.133 13.511 1.00 53.20 C ATOM 711 CD1 ILE A 46 -4.021 4.025 12.804 1.00 4.11 C ATOM 0 H ILE A 46 -4.833 4.148 17.046 1.00 54.24 H new ATOM 0 HA ILE A 46 -5.879 6.532 15.655 1.00 31.44 H new ATOM 0 HB ILE A 46 -5.903 3.629 14.726 1.00 62.21 H new ATOM 0 HG12 ILE A 46 -4.240 5.952 13.694 1.00 53.55 H new ATOM 0 HG13 ILE A 46 -3.633 4.721 14.783 1.00 53.55 H new ATOM 0 HG21 ILE A 46 -6.659 4.580 12.583 1.00 53.20 H new ATOM 0 HG22 ILE A 46 -7.803 4.934 13.900 1.00 53.20 H new ATOM 0 HG23 ILE A 46 -6.695 6.200 13.318 1.00 53.20 H new ATOM 0 HD11 ILE A 46 -3.004 4.231 12.470 1.00 4.11 H new ATOM 0 HD12 ILE A 46 -4.101 2.978 13.097 1.00 4.11 H new ATOM 0 HD13 ILE A 46 -4.718 4.228 11.991 1.00 4.11 H new ATOM 723 N ASP A 47 -8.272 6.060 16.221 1.00 44.13 N ATOM 724 CA ASP A 47 -9.631 5.882 16.720 1.00 23.33 C ATOM 725 C ASP A 47 -9.646 5.825 18.244 1.00 11.52 C ATOM 726 O ASP A 47 -10.464 5.126 18.842 1.00 61.41 O ATOM 727 CB ASP A 47 -10.248 4.606 16.143 1.00 0.44 C ATOM 728 CG ASP A 47 -11.707 4.787 15.771 1.00 63.33 C ATOM 729 OD1 ASP A 47 -11.985 5.531 14.807 1.00 70.54 O ATOM 730 OD2 ASP A 47 -12.570 4.184 16.442 1.00 42.20 O ATOM 0 H ASP A 47 -8.122 6.929 15.709 1.00 44.13 H new ATOM 0 HA ASP A 47 -10.224 6.739 16.400 1.00 23.33 H new ATOM 0 HB2 ASP A 47 -9.686 4.301 15.260 1.00 0.44 H new ATOM 0 HB3 ASP A 47 -10.159 3.801 16.872 1.00 0.44 H new ATOM 735 N GLY A 48 -8.735 6.566 18.868 1.00 51.54 N ATOM 736 CA GLY A 48 -8.660 6.586 20.317 1.00 54.12 C ATOM 737 C GLY A 48 -8.376 5.216 20.901 1.00 15.52 C ATOM 738 O GLY A 48 -8.776 4.919 22.027 1.00 13.21 O ATOM 0 H GLY A 48 -8.048 7.153 18.395 1.00 51.54 H new ATOM 0 HA2 GLY A 48 -7.879 7.279 20.628 1.00 54.12 H new ATOM 0 HA3 GLY A 48 -9.600 6.962 20.721 1.00 54.12 H new ATOM 742 N GLU A 49 -7.686 4.379 20.134 1.00 44.10 N ATOM 743 CA GLU A 49 -7.349 3.033 20.581 1.00 5.22 C ATOM 744 C GLU A 49 -5.948 2.642 20.120 1.00 24.21 C ATOM 745 O GLU A 49 -5.695 2.498 18.924 1.00 34.22 O ATOM 746 CB GLU A 49 -8.374 2.026 20.052 1.00 20.30 C ATOM 747 CG GLU A 49 -8.080 0.589 20.453 1.00 21.12 C ATOM 748 CD GLU A 49 -9.219 -0.047 21.226 1.00 51.22 C ATOM 749 OE1 GLU A 49 -10.319 -0.191 20.652 1.00 11.41 O ATOM 750 OE2 GLU A 49 -9.010 -0.403 22.405 1.00 4.22 O ATOM 0 H GLU A 49 -7.349 4.609 19.199 1.00 44.10 H new ATOM 0 HA GLU A 49 -7.369 3.022 21.671 1.00 5.22 H new ATOM 0 HB2 GLU A 49 -9.363 2.301 20.418 1.00 20.30 H new ATOM 0 HB3 GLU A 49 -8.407 2.091 18.964 1.00 20.30 H new ATOM 0 HG2 GLU A 49 -7.880 -0.000 19.558 1.00 21.12 H new ATOM 0 HG3 GLU A 49 -7.175 0.563 21.060 1.00 21.12 H new ATOM 757 N THR A 50 -5.042 2.470 21.077 1.00 52.04 N ATOM 758 CA THR A 50 -3.667 2.094 20.769 1.00 42.44 C ATOM 759 C THR A 50 -3.617 0.730 20.089 1.00 43.00 C ATOM 760 O THR A 50 -4.056 -0.273 20.652 1.00 12.40 O ATOM 761 CB THR A 50 -2.823 2.075 22.046 1.00 54.43 C ATOM 762 OG1 THR A 50 -2.801 3.356 22.651 1.00 31.31 O ATOM 763 CG2 THR A 50 -1.388 1.654 21.811 1.00 1.12 C ATOM 0 H THR A 50 -5.235 2.585 22.072 1.00 52.04 H new ATOM 0 HA THR A 50 -3.257 2.836 20.084 1.00 42.44 H new ATOM 0 HB THR A 50 -3.298 1.339 22.694 1.00 54.43 H new ATOM 0 HG1 THR A 50 -2.258 3.323 23.466 1.00 31.31 H new ATOM 0 HG21 THR A 50 -0.847 1.662 22.757 1.00 1.12 H new ATOM 0 HG22 THR A 50 -1.368 0.649 21.390 1.00 1.12 H new ATOM 0 HG23 THR A 50 -0.915 2.347 21.116 1.00 1.12 H new ATOM 771 N CYS A 51 -3.077 0.700 18.874 1.00 75.04 N ATOM 772 CA CYS A 51 -2.967 -0.540 18.117 1.00 3.35 C ATOM 773 C CYS A 51 -1.675 -0.567 17.307 1.00 64.23 C ATOM 774 O CYS A 51 -1.197 0.470 16.849 1.00 24.53 O ATOM 775 CB CYS A 51 -4.171 -0.704 17.187 1.00 2.21 C ATOM 776 SG CYS A 51 -5.750 -0.882 18.049 1.00 35.53 S ATOM 0 H CYS A 51 -2.709 1.521 18.394 1.00 75.04 H new ATOM 0 HA CYS A 51 -2.950 -1.369 18.824 1.00 3.35 H new ATOM 0 HB2 CYS A 51 -4.226 0.160 16.525 1.00 2.21 H new ATOM 0 HB3 CYS A 51 -4.013 -1.579 16.556 1.00 2.21 H new ATOM 0 HG CYS A 51 -5.547 -0.870 19.333 1.00 35.53 H new ATOM 782 N LEU A 52 -1.115 -1.759 17.135 1.00 73.11 N ATOM 783 CA LEU A 52 0.123 -1.920 16.381 1.00 34.31 C ATOM 784 C LEU A 52 -0.144 -1.876 14.879 1.00 63.51 C ATOM 785 O LEU A 52 -1.194 -2.316 14.412 1.00 74.13 O ATOM 786 CB LEU A 52 0.802 -3.240 16.756 1.00 44.15 C ATOM 787 CG LEU A 52 2.205 -3.102 17.348 1.00 53.14 C ATOM 788 CD1 LEU A 52 3.134 -2.405 16.366 1.00 64.43 C ATOM 789 CD2 LEU A 52 2.154 -2.345 18.666 1.00 32.14 C ATOM 0 H LEU A 52 -1.498 -2.628 17.507 1.00 73.11 H new ATOM 0 HA LEU A 52 0.787 -1.093 16.635 1.00 34.31 H new ATOM 0 HB2 LEU A 52 0.171 -3.764 17.474 1.00 44.15 H new ATOM 0 HB3 LEU A 52 0.860 -3.867 15.866 1.00 44.15 H new ATOM 0 HG LEU A 52 2.598 -4.101 17.540 1.00 53.14 H new ATOM 0 HD11 LEU A 52 4.128 -2.316 16.805 1.00 64.43 H new ATOM 0 HD12 LEU A 52 3.195 -2.987 15.447 1.00 64.43 H new ATOM 0 HD13 LEU A 52 2.747 -1.411 16.141 1.00 64.43 H new ATOM 0 HD21 LEU A 52 3.161 -2.256 19.074 1.00 32.14 H new ATOM 0 HD22 LEU A 52 1.741 -1.350 18.499 1.00 32.14 H new ATOM 0 HD23 LEU A 52 1.523 -2.886 19.372 1.00 32.14 H new ATOM 801 N LEU A 53 0.815 -1.342 14.130 1.00 22.35 N ATOM 802 CA LEU A 53 0.686 -1.241 12.680 1.00 14.41 C ATOM 803 C LEU A 53 1.874 -1.895 11.983 1.00 74.04 C ATOM 804 O LEU A 53 2.909 -1.262 11.773 1.00 3.11 O ATOM 805 CB LEU A 53 0.577 0.225 12.255 1.00 11.35 C ATOM 806 CG LEU A 53 -0.653 0.966 12.782 1.00 40.04 C ATOM 807 CD1 LEU A 53 -0.727 2.365 12.191 1.00 63.14 C ATOM 808 CD2 LEU A 53 -1.921 0.186 12.467 1.00 24.44 C ATOM 0 H LEU A 53 1.690 -0.973 14.502 1.00 22.35 H new ATOM 0 HA LEU A 53 -0.223 -1.766 12.385 1.00 14.41 H new ATOM 0 HB2 LEU A 53 1.470 0.752 12.591 1.00 11.35 H new ATOM 0 HB3 LEU A 53 0.570 0.271 11.166 1.00 11.35 H new ATOM 0 HG LEU A 53 -0.563 1.055 13.865 1.00 40.04 H new ATOM 0 HD11 LEU A 53 -1.608 2.877 12.577 1.00 63.14 H new ATOM 0 HD12 LEU A 53 0.167 2.924 12.466 1.00 63.14 H new ATOM 0 HD13 LEU A 53 -0.793 2.298 11.105 1.00 63.14 H new ATOM 0 HD21 LEU A 53 -2.786 0.728 12.849 1.00 24.44 H new ATOM 0 HD22 LEU A 53 -2.016 0.066 11.388 1.00 24.44 H new ATOM 0 HD23 LEU A 53 -1.871 -0.796 12.938 1.00 24.44 H new ATOM 820 N ASP A 54 1.717 -3.164 11.624 1.00 55.22 N ATOM 821 CA ASP A 54 2.776 -3.903 10.948 1.00 52.25 C ATOM 822 C ASP A 54 2.622 -3.806 9.434 1.00 4.33 C ATOM 823 O ASP A 54 1.830 -4.531 8.833 1.00 44.12 O ATOM 824 CB ASP A 54 2.761 -5.369 11.382 1.00 71.42 C ATOM 825 CG ASP A 54 3.582 -5.611 12.634 1.00 53.23 C ATOM 826 OD1 ASP A 54 3.190 -5.109 13.708 1.00 41.01 O ATOM 827 OD2 ASP A 54 4.617 -6.305 12.539 1.00 54.03 O ATOM 0 H ASP A 54 0.867 -3.702 11.790 1.00 55.22 H new ATOM 0 HA ASP A 54 3.732 -3.460 11.228 1.00 52.25 H new ATOM 0 HB2 ASP A 54 1.732 -5.682 11.560 1.00 71.42 H new ATOM 0 HB3 ASP A 54 3.147 -5.988 10.573 1.00 71.42 H new ATOM 832 N ILE A 55 3.384 -2.904 8.823 1.00 41.51 N ATOM 833 CA ILE A 55 3.328 -2.714 7.378 1.00 51.51 C ATOM 834 C ILE A 55 4.080 -3.822 6.651 1.00 41.14 C ATOM 835 O ILE A 55 5.307 -3.903 6.719 1.00 12.34 O ATOM 836 CB ILE A 55 3.916 -1.352 6.961 1.00 55.34 C ATOM 837 CG1 ILE A 55 3.399 -0.241 7.880 1.00 55.01 C ATOM 838 CG2 ILE A 55 3.570 -1.051 5.510 1.00 31.35 C ATOM 839 CD1 ILE A 55 1.890 -0.188 7.978 1.00 73.01 C ATOM 0 H ILE A 55 4.046 -2.295 9.304 1.00 41.51 H new ATOM 0 HA ILE A 55 2.275 -2.744 7.098 1.00 51.51 H new ATOM 0 HB ILE A 55 5.001 -1.397 7.056 1.00 55.34 H new ATOM 0 HG12 ILE A 55 3.815 -0.384 8.878 1.00 55.01 H new ATOM 0 HG13 ILE A 55 3.765 0.719 7.516 1.00 55.01 H new ATOM 0 HG21 ILE A 55 3.991 -0.086 5.228 1.00 31.35 H new ATOM 0 HG22 ILE A 55 3.984 -1.829 4.868 1.00 31.35 H new ATOM 0 HG23 ILE A 55 2.487 -1.022 5.393 1.00 31.35 H new ATOM 0 HD11 ILE A 55 1.597 0.622 8.645 1.00 73.01 H new ATOM 0 HD12 ILE A 55 1.467 -0.014 6.989 1.00 73.01 H new ATOM 0 HD13 ILE A 55 1.517 -1.134 8.371 1.00 73.01 H new ATOM 851 N LEU A 56 3.336 -4.675 5.958 1.00 20.55 N ATOM 852 CA LEU A 56 3.929 -5.782 5.221 1.00 12.15 C ATOM 853 C LEU A 56 4.284 -5.364 3.798 1.00 32.14 C ATOM 854 O LEU A 56 3.404 -5.101 2.979 1.00 53.02 O ATOM 855 CB LEU A 56 2.965 -6.971 5.196 1.00 52.24 C ATOM 856 CG LEU A 56 3.505 -8.251 4.552 1.00 73.40 C ATOM 857 CD1 LEU A 56 3.372 -8.190 3.036 1.00 13.41 C ATOM 858 CD2 LEU A 56 4.953 -8.494 4.956 1.00 64.25 C ATOM 0 H LEU A 56 2.320 -4.621 5.891 1.00 20.55 H new ATOM 0 HA LEU A 56 4.848 -6.076 5.728 1.00 12.15 H new ATOM 0 HB2 LEU A 56 2.671 -7.198 6.221 1.00 52.24 H new ATOM 0 HB3 LEU A 56 2.062 -6.672 4.664 1.00 52.24 H new ATOM 0 HG LEU A 56 2.908 -9.088 4.914 1.00 73.40 H new ATOM 0 HD11 LEU A 56 3.762 -9.109 2.599 1.00 13.41 H new ATOM 0 HD12 LEU A 56 2.322 -8.077 2.767 1.00 13.41 H new ATOM 0 HD13 LEU A 56 3.937 -7.339 2.655 1.00 13.41 H new ATOM 0 HD21 LEU A 56 5.313 -9.409 4.486 1.00 64.25 H new ATOM 0 HD22 LEU A 56 5.567 -7.654 4.632 1.00 64.25 H new ATOM 0 HD23 LEU A 56 5.017 -8.594 6.040 1.00 64.25 H new ATOM 870 N ASP A 57 5.581 -5.303 3.512 1.00 50.22 N ATOM 871 CA ASP A 57 6.054 -4.915 2.189 1.00 1.50 C ATOM 872 C ASP A 57 6.877 -6.033 1.557 1.00 60.22 C ATOM 873 O ASP A 57 8.017 -6.278 1.951 1.00 71.41 O ATOM 874 CB ASP A 57 6.888 -3.636 2.280 1.00 23.43 C ATOM 875 CG ASP A 57 6.399 -2.559 1.332 1.00 30.23 C ATOM 876 OD1 ASP A 57 5.457 -1.827 1.701 1.00 13.11 O ATOM 877 OD2 ASP A 57 6.957 -2.448 0.220 1.00 44.15 O ATOM 0 H ASP A 57 6.322 -5.517 4.179 1.00 50.22 H new ATOM 0 HA ASP A 57 5.185 -4.729 1.557 1.00 1.50 H new ATOM 0 HB2 ASP A 57 6.858 -3.258 3.302 1.00 23.43 H new ATOM 0 HB3 ASP A 57 7.929 -3.868 2.056 1.00 23.43 H new ATOM 882 N THR A 58 6.292 -6.710 0.574 1.00 71.54 N ATOM 883 CA THR A 58 6.972 -7.802 -0.112 1.00 51.24 C ATOM 884 C THR A 58 8.011 -7.265 -1.092 1.00 24.00 C ATOM 885 O THR A 58 8.266 -6.062 -1.144 1.00 15.44 O ATOM 886 CB THR A 58 5.961 -8.679 -0.850 1.00 53.42 C ATOM 887 OG1 THR A 58 5.479 -8.023 -2.010 1.00 11.13 O ATOM 888 CG2 THR A 58 4.764 -9.054 -0.003 1.00 71.43 C ATOM 0 H THR A 58 5.349 -6.521 0.235 1.00 71.54 H new ATOM 0 HA THR A 58 7.484 -8.406 0.638 1.00 51.24 H new ATOM 0 HB THR A 58 6.503 -9.589 -1.108 1.00 53.42 H new ATOM 0 HG1 THR A 58 4.835 -8.601 -2.469 1.00 11.13 H new ATOM 0 HG21 THR A 58 4.086 -9.676 -0.587 1.00 71.43 H new ATOM 0 HG22 THR A 58 5.098 -9.606 0.875 1.00 71.43 H new ATOM 0 HG23 THR A 58 4.245 -8.150 0.313 1.00 71.43 H new ATOM 896 N ALA A 59 8.606 -8.164 -1.870 1.00 21.15 N ATOM 897 CA ALA A 59 9.615 -7.779 -2.849 1.00 13.54 C ATOM 898 C ALA A 59 8.969 -7.193 -4.100 1.00 60.43 C ATOM 899 O ALA A 59 7.804 -7.463 -4.393 1.00 34.50 O ATOM 900 CB ALA A 59 10.484 -8.974 -3.210 1.00 31.53 C ATOM 0 H ALA A 59 8.406 -9.164 -1.841 1.00 21.15 H new ATOM 0 HA ALA A 59 10.245 -7.009 -2.403 1.00 13.54 H new ATOM 0 HB1 ALA A 59 11.233 -8.671 -3.942 1.00 31.53 H new ATOM 0 HB2 ALA A 59 10.982 -9.346 -2.314 1.00 31.53 H new ATOM 0 HB3 ALA A 59 9.861 -9.762 -3.633 1.00 31.53 H new ATOM 1002 N MET A 67 4.655 -17.264 -1.692 1.00 2.03 N ATOM 1003 CA MET A 67 4.678 -16.388 -0.529 1.00 2.31 C ATOM 1004 C MET A 67 3.596 -15.320 -0.647 1.00 21.13 C ATOM 1005 O MET A 67 2.857 -15.063 0.302 1.00 11.43 O ATOM 1006 CB MET A 67 6.052 -15.726 -0.377 1.00 43.31 C ATOM 1007 CG MET A 67 7.223 -16.646 -0.695 1.00 40.35 C ATOM 1008 SD MET A 67 7.947 -17.390 0.779 1.00 20.12 S ATOM 1009 CE MET A 67 7.230 -19.031 0.721 1.00 13.34 C ATOM 0 HA MET A 67 4.483 -16.993 0.357 1.00 2.31 H new ATOM 0 HB2 MET A 67 6.099 -14.856 -1.032 1.00 43.31 H new ATOM 0 HB3 MET A 67 6.157 -15.362 0.645 1.00 43.31 H new ATOM 0 HG2 MET A 67 6.887 -17.435 -1.367 1.00 40.35 H new ATOM 0 HG3 MET A 67 7.990 -16.081 -1.225 1.00 40.35 H new ATOM 0 HE1 MET A 67 7.585 -19.613 1.571 1.00 13.34 H new ATOM 0 HE2 MET A 67 6.143 -18.955 0.761 1.00 13.34 H new ATOM 0 HE3 MET A 67 7.525 -19.525 -0.205 1.00 13.34 H new ATOM 1019 N ARG A 68 3.502 -14.707 -1.825 1.00 61.31 N ATOM 1020 CA ARG A 68 2.503 -13.671 -2.075 1.00 63.24 C ATOM 1021 C ARG A 68 1.124 -14.129 -1.611 1.00 14.44 C ATOM 1022 O ARG A 68 0.384 -13.371 -0.985 1.00 12.10 O ATOM 1023 CB ARG A 68 2.467 -13.322 -3.565 1.00 71.12 C ATOM 1024 CG ARG A 68 2.920 -11.904 -3.868 1.00 2.32 C ATOM 1025 CD ARG A 68 2.334 -11.401 -5.178 1.00 35.04 C ATOM 1026 NE ARG A 68 3.356 -11.245 -6.210 1.00 42.11 N ATOM 1027 CZ ARG A 68 3.086 -10.959 -7.482 1.00 34.02 C ATOM 1028 NH1 ARG A 68 1.831 -10.803 -7.882 1.00 55.34 N ATOM 1029 NH2 ARG A 68 4.075 -10.831 -8.355 1.00 33.54 N ATOM 0 H ARG A 68 4.106 -14.910 -2.622 1.00 61.31 H new ATOM 0 HA ARG A 68 2.780 -12.782 -1.508 1.00 63.24 H new ATOM 0 HB2 ARG A 68 3.102 -14.021 -4.109 1.00 71.12 H new ATOM 0 HB3 ARG A 68 1.451 -13.458 -3.937 1.00 71.12 H new ATOM 0 HG2 ARG A 68 2.619 -11.243 -3.055 1.00 2.32 H new ATOM 0 HG3 ARG A 68 4.008 -11.871 -3.918 1.00 2.32 H new ATOM 0 HD2 ARG A 68 1.571 -12.098 -5.525 1.00 35.04 H new ATOM 0 HD3 ARG A 68 1.839 -10.444 -5.010 1.00 35.04 H new ATOM 0 HE ARG A 68 4.333 -11.362 -5.941 1.00 42.11 H new ATOM 0 HH11 ARG A 68 1.067 -10.902 -7.214 1.00 55.34 H new ATOM 0 HH12 ARG A 68 1.630 -10.584 -8.858 1.00 55.34 H new ATOM 0 HH21 ARG A 68 5.041 -10.952 -8.052 1.00 33.54 H new ATOM 0 HH22 ARG A 68 3.870 -10.612 -9.330 1.00 33.54 H new ATOM 1043 N ASP A 69 0.794 -15.379 -1.915 1.00 11.22 N ATOM 1044 CA ASP A 69 -0.489 -15.947 -1.523 1.00 32.22 C ATOM 1045 C ASP A 69 -0.609 -15.996 -0.003 1.00 73.12 C ATOM 1046 O ASP A 69 -1.706 -15.912 0.547 1.00 73.12 O ATOM 1047 CB ASP A 69 -0.649 -17.351 -2.108 1.00 32.32 C ATOM 1048 CG ASP A 69 -0.909 -17.328 -3.602 1.00 22.22 C ATOM 1049 OD1 ASP A 69 -1.312 -16.265 -4.118 1.00 23.32 O ATOM 1050 OD2 ASP A 69 -0.709 -18.374 -4.255 1.00 74.13 O ATOM 0 H ASP A 69 1.398 -16.018 -2.432 1.00 11.22 H new ATOM 0 HA ASP A 69 -1.282 -15.310 -1.915 1.00 32.22 H new ATOM 0 HB2 ASP A 69 0.252 -17.930 -1.908 1.00 32.32 H new ATOM 0 HB3 ASP A 69 -1.473 -17.859 -1.606 1.00 32.32 H new ATOM 1055 N GLN A 70 0.531 -16.130 0.669 1.00 1.45 N ATOM 1056 CA GLN A 70 0.559 -16.187 2.125 1.00 2.53 C ATOM 1057 C GLN A 70 0.323 -14.803 2.724 1.00 3.34 C ATOM 1058 O GLN A 70 -0.515 -14.637 3.609 1.00 51.43 O ATOM 1059 CB GLN A 70 1.899 -16.755 2.606 1.00 72.13 C ATOM 1060 CG GLN A 70 2.094 -16.683 4.112 1.00 45.41 C ATOM 1061 CD GLN A 70 1.206 -17.656 4.862 1.00 42.35 C ATOM 1062 OE1 GLN A 70 0.118 -18.003 4.401 1.00 1.55 O ATOM 1063 NE2 GLN A 70 1.666 -18.102 6.025 1.00 65.25 N ATOM 0 H GLN A 70 1.447 -16.201 0.227 1.00 1.45 H new ATOM 0 HA GLN A 70 -0.243 -16.845 2.460 1.00 2.53 H new ATOM 0 HB2 GLN A 70 1.976 -17.795 2.289 1.00 72.13 H new ATOM 0 HB3 GLN A 70 2.709 -16.212 2.118 1.00 72.13 H new ATOM 0 HG2 GLN A 70 3.137 -16.891 4.350 1.00 45.41 H new ATOM 0 HG3 GLN A 70 1.885 -15.669 4.454 1.00 45.41 H new ATOM 0 HE21 GLN A 70 2.573 -17.788 6.369 1.00 65.25 H new ATOM 0 HE22 GLN A 70 1.112 -18.759 6.574 1.00 65.25 H new ATOM 1072 N TYR A 71 1.061 -13.810 2.235 1.00 73.21 N ATOM 1073 CA TYR A 71 0.924 -12.441 2.725 1.00 1.33 C ATOM 1074 C TYR A 71 -0.539 -12.005 2.713 1.00 60.22 C ATOM 1075 O TYR A 71 -0.986 -11.268 3.591 1.00 70.31 O ATOM 1076 CB TYR A 71 1.762 -11.484 1.877 1.00 14.13 C ATOM 1077 CG TYR A 71 3.250 -11.722 1.990 1.00 74.21 C ATOM 1078 CD1 TYR A 71 3.986 -11.153 3.018 1.00 41.21 C ATOM 1079 CD2 TYR A 71 3.917 -12.513 1.067 1.00 64.40 C ATOM 1080 CE1 TYR A 71 5.348 -11.364 3.122 1.00 35.01 C ATOM 1081 CE2 TYR A 71 5.276 -12.732 1.165 1.00 72.44 C ATOM 1082 CZ TYR A 71 5.988 -12.155 2.194 1.00 52.20 C ATOM 1083 OH TYR A 71 7.343 -12.369 2.294 1.00 43.21 O ATOM 0 H TYR A 71 1.759 -13.927 1.501 1.00 73.21 H new ATOM 0 HA TYR A 71 1.286 -12.412 3.753 1.00 1.33 H new ATOM 0 HB2 TYR A 71 1.465 -11.582 0.833 1.00 14.13 H new ATOM 0 HB3 TYR A 71 1.542 -10.459 2.176 1.00 14.13 H new ATOM 0 HD1 TYR A 71 3.487 -10.535 3.749 1.00 41.21 H new ATOM 0 HD2 TYR A 71 3.364 -12.965 0.257 1.00 64.40 H new ATOM 0 HE1 TYR A 71 5.908 -10.911 3.927 1.00 35.01 H new ATOM 0 HE2 TYR A 71 5.779 -13.353 0.439 1.00 72.44 H new ATOM 0 HH TYR A 71 7.637 -12.950 1.562 1.00 43.21 H new ATOM 1093 N MET A 72 -1.281 -12.475 1.715 1.00 64.45 N ATOM 1094 CA MET A 72 -2.695 -12.143 1.594 1.00 41.02 C ATOM 1095 C MET A 72 -3.511 -12.899 2.636 1.00 32.45 C ATOM 1096 O MET A 72 -4.400 -12.334 3.274 1.00 33.52 O ATOM 1097 CB MET A 72 -3.203 -12.479 0.191 1.00 71.33 C ATOM 1098 CG MET A 72 -2.412 -11.807 -0.920 1.00 51.41 C ATOM 1099 SD MET A 72 -3.446 -11.331 -2.317 1.00 51.51 S ATOM 1100 CE MET A 72 -2.338 -10.235 -3.198 1.00 4.24 C ATOM 0 H MET A 72 -0.926 -13.086 0.979 1.00 64.45 H new ATOM 0 HA MET A 72 -2.811 -11.073 1.765 1.00 41.02 H new ATOM 0 HB2 MET A 72 -3.166 -13.559 0.049 1.00 71.33 H new ATOM 0 HB3 MET A 72 -4.249 -12.182 0.112 1.00 71.33 H new ATOM 0 HG2 MET A 72 -1.915 -10.922 -0.523 1.00 51.41 H new ATOM 0 HG3 MET A 72 -1.631 -12.484 -1.265 1.00 51.41 H new ATOM 0 HE1 MET A 72 -2.920 -9.523 -3.783 1.00 4.24 H new ATOM 0 HE2 MET A 72 -1.716 -9.696 -2.484 1.00 4.24 H new ATOM 0 HE3 MET A 72 -1.703 -10.819 -3.865 1.00 4.24 H new ATOM 1110 N ARG A 73 -3.197 -14.180 2.804 1.00 52.54 N ATOM 1111 CA ARG A 73 -3.892 -15.022 3.770 1.00 72.21 C ATOM 1112 C ARG A 73 -3.440 -14.710 5.194 1.00 43.51 C ATOM 1113 O ARG A 73 -4.101 -15.084 6.162 1.00 3.35 O ATOM 1114 CB ARG A 73 -3.641 -16.495 3.457 1.00 32.12 C ATOM 1115 CG ARG A 73 -4.176 -16.925 2.103 1.00 54.12 C ATOM 1116 CD ARG A 73 -3.815 -18.367 1.800 1.00 43.03 C ATOM 1117 NE ARG A 73 -2.382 -18.615 1.935 1.00 75.22 N ATOM 1118 CZ ARG A 73 -1.852 -19.825 2.098 1.00 62.00 C ATOM 1119 NH1 ARG A 73 -2.631 -20.898 2.134 1.00 75.11 N ATOM 1120 NH2 ARG A 73 -0.538 -19.963 2.223 1.00 33.12 N ATOM 0 H ARG A 73 -2.463 -14.658 2.281 1.00 52.54 H new ATOM 0 HA ARG A 73 -4.959 -14.814 3.696 1.00 72.21 H new ATOM 0 HB2 ARG A 73 -2.569 -16.689 3.494 1.00 32.12 H new ATOM 0 HB3 ARG A 73 -4.102 -17.107 4.232 1.00 32.12 H new ATOM 0 HG2 ARG A 73 -5.259 -16.807 2.084 1.00 54.12 H new ATOM 0 HG3 ARG A 73 -3.771 -16.276 1.327 1.00 54.12 H new ATOM 0 HD2 ARG A 73 -4.362 -19.026 2.474 1.00 43.03 H new ATOM 0 HD3 ARG A 73 -4.131 -18.614 0.787 1.00 43.03 H new ATOM 0 HE ARG A 73 -1.751 -17.814 1.902 1.00 75.22 H new ATOM 0 HH11 ARG A 73 -3.641 -20.798 2.037 1.00 75.11 H new ATOM 0 HH12 ARG A 73 -2.220 -21.823 2.259 1.00 75.11 H new ATOM 0 HH21 ARG A 73 0.066 -19.142 2.194 1.00 33.12 H new ATOM 0 HH22 ARG A 73 -0.132 -20.890 2.348 1.00 33.12 H new ATOM 1134 N THR A 74 -2.309 -14.020 5.312 1.00 64.33 N ATOM 1135 CA THR A 74 -1.767 -13.653 6.613 1.00 45.33 C ATOM 1136 C THR A 74 -2.075 -12.192 6.939 1.00 41.11 C ATOM 1137 O THR A 74 -1.838 -11.735 8.057 1.00 44.35 O ATOM 1138 CB THR A 74 -0.254 -13.884 6.641 1.00 14.55 C ATOM 1139 OG1 THR A 74 0.390 -13.098 5.655 1.00 5.31 O ATOM 1140 CG2 THR A 74 0.144 -15.327 6.407 1.00 32.03 C ATOM 0 H THR A 74 -1.750 -13.704 4.519 1.00 64.33 H new ATOM 0 HA THR A 74 -2.239 -14.283 7.367 1.00 45.33 H new ATOM 0 HB THR A 74 0.059 -13.599 7.645 1.00 14.55 H new ATOM 0 HG1 THR A 74 0.130 -13.413 4.764 1.00 5.31 H new ATOM 0 HG21 THR A 74 1.230 -15.415 6.441 1.00 32.03 H new ATOM 0 HG22 THR A 74 -0.295 -15.956 7.182 1.00 32.03 H new ATOM 0 HG23 THR A 74 -0.216 -15.650 5.430 1.00 32.03 H new ATOM 1148 N GLY A 75 -2.600 -11.460 5.956 1.00 23.50 N ATOM 1149 CA GLY A 75 -2.924 -10.063 6.166 1.00 21.11 C ATOM 1150 C GLY A 75 -4.414 -9.825 6.316 1.00 61.14 C ATOM 1151 O GLY A 75 -5.223 -10.699 6.004 1.00 60.41 O ATOM 0 H GLY A 75 -2.805 -11.812 5.021 1.00 23.50 H new ATOM 0 HA2 GLY A 75 -2.411 -9.705 7.059 1.00 21.11 H new ATOM 0 HA3 GLY A 75 -2.549 -9.477 5.327 1.00 21.11 H new ATOM 1155 N GLU A 76 -4.776 -8.638 6.793 1.00 61.34 N ATOM 1156 CA GLU A 76 -6.179 -8.283 6.982 1.00 14.21 C ATOM 1157 C GLU A 76 -6.608 -7.192 6.003 1.00 1.34 C ATOM 1158 O GLU A 76 -7.798 -6.918 5.851 1.00 72.35 O ATOM 1159 CB GLU A 76 -6.423 -7.814 8.419 1.00 71.33 C ATOM 1160 CG GLU A 76 -6.075 -8.856 9.470 1.00 23.24 C ATOM 1161 CD GLU A 76 -7.298 -9.384 10.195 1.00 21.11 C ATOM 1162 OE1 GLU A 76 -7.798 -8.684 11.101 1.00 72.11 O ATOM 1163 OE2 GLU A 76 -7.756 -10.495 9.856 1.00 44.00 O ATOM 0 H GLU A 76 -4.117 -7.905 7.056 1.00 61.34 H new ATOM 0 HA GLU A 76 -6.776 -9.174 6.789 1.00 14.21 H new ATOM 0 HB2 GLU A 76 -5.835 -6.915 8.603 1.00 71.33 H new ATOM 0 HB3 GLU A 76 -7.472 -7.537 8.528 1.00 71.33 H new ATOM 0 HG2 GLU A 76 -5.553 -9.686 8.994 1.00 23.24 H new ATOM 0 HG3 GLU A 76 -5.387 -8.420 10.195 1.00 23.24 H new ATOM 1170 N GLY A 77 -5.634 -6.570 5.343 1.00 31.25 N ATOM 1171 CA GLY A 77 -5.937 -5.517 4.390 1.00 72.34 C ATOM 1172 C GLY A 77 -4.894 -5.415 3.295 1.00 33.33 C ATOM 1173 O GLY A 77 -3.939 -6.192 3.266 1.00 21.34 O ATOM 0 H GLY A 77 -4.641 -6.777 5.452 1.00 31.25 H new ATOM 0 HA2 GLY A 77 -6.913 -5.705 3.943 1.00 72.34 H new ATOM 0 HA3 GLY A 77 -6.005 -4.564 4.914 1.00 72.34 H new ATOM 1177 N PHE A 78 -5.074 -4.458 2.389 1.00 45.12 N ATOM 1178 CA PHE A 78 -4.137 -4.268 1.287 1.00 72.42 C ATOM 1179 C PHE A 78 -4.138 -2.820 0.804 1.00 43.35 C ATOM 1180 O PHE A 78 -5.180 -2.169 0.762 1.00 31.21 O ATOM 1181 CB PHE A 78 -4.489 -5.202 0.128 1.00 75.00 C ATOM 1182 CG PHE A 78 -4.559 -6.650 0.522 1.00 72.11 C ATOM 1183 CD1 PHE A 78 -5.743 -7.200 0.986 1.00 23.30 C ATOM 1184 CD2 PHE A 78 -3.439 -7.461 0.430 1.00 55.44 C ATOM 1185 CE1 PHE A 78 -5.809 -8.532 1.349 1.00 54.03 C ATOM 1186 CE2 PHE A 78 -3.499 -8.793 0.791 1.00 12.05 C ATOM 1187 CZ PHE A 78 -4.686 -9.329 1.251 1.00 63.13 C ATOM 0 H PHE A 78 -5.857 -3.804 2.396 1.00 45.12 H new ATOM 0 HA PHE A 78 -3.138 -4.506 1.652 1.00 72.42 H new ATOM 0 HB2 PHE A 78 -5.449 -4.901 -0.291 1.00 75.00 H new ATOM 0 HB3 PHE A 78 -3.746 -5.084 -0.661 1.00 75.00 H new ATOM 0 HD1 PHE A 78 -6.624 -6.581 1.065 1.00 23.30 H new ATOM 0 HD2 PHE A 78 -2.508 -7.047 0.072 1.00 55.44 H new ATOM 0 HE1 PHE A 78 -6.738 -8.949 1.709 1.00 54.03 H new ATOM 0 HE2 PHE A 78 -2.619 -9.414 0.714 1.00 12.05 H new ATOM 0 HZ PHE A 78 -4.736 -10.370 1.534 1.00 63.13 H new ATOM 1197 N LEU A 79 -2.960 -2.324 0.436 1.00 14.41 N ATOM 1198 CA LEU A 79 -2.820 -0.957 -0.049 1.00 53.23 C ATOM 1199 C LEU A 79 -2.287 -0.943 -1.479 1.00 12.14 C ATOM 1200 O LEU A 79 -1.286 -1.591 -1.784 1.00 22.04 O ATOM 1201 CB LEU A 79 -1.885 -0.164 0.865 1.00 31.41 C ATOM 1202 CG LEU A 79 -2.375 1.238 1.233 1.00 21.51 C ATOM 1203 CD1 LEU A 79 -2.923 1.252 2.651 1.00 63.32 C ATOM 1204 CD2 LEU A 79 -1.253 2.254 1.085 1.00 1.22 C ATOM 0 H LEU A 79 -2.087 -2.851 0.465 1.00 14.41 H new ATOM 0 HA LEU A 79 -3.805 -0.490 -0.042 1.00 53.23 H new ATOM 0 HB2 LEU A 79 -1.732 -0.731 1.783 1.00 31.41 H new ATOM 0 HB3 LEU A 79 -0.914 -0.077 0.378 1.00 31.41 H new ATOM 0 HG LEU A 79 -3.177 1.513 0.549 1.00 21.51 H new ATOM 0 HD11 LEU A 79 -3.268 2.256 2.898 1.00 63.32 H new ATOM 0 HD12 LEU A 79 -3.757 0.554 2.726 1.00 63.32 H new ATOM 0 HD13 LEU A 79 -2.138 0.956 3.347 1.00 63.32 H new ATOM 0 HD21 LEU A 79 -1.622 3.245 1.351 1.00 1.22 H new ATOM 0 HD22 LEU A 79 -0.428 1.984 1.745 1.00 1.22 H new ATOM 0 HD23 LEU A 79 -0.904 2.262 0.053 1.00 1.22 H new ATOM 1216 N CYS A 80 -2.962 -0.202 -2.352 1.00 22.31 N ATOM 1217 CA CYS A 80 -2.554 -0.107 -3.750 1.00 1.52 C ATOM 1218 C CYS A 80 -1.860 1.223 -4.025 1.00 11.33 C ATOM 1219 O CYS A 80 -2.485 2.283 -3.975 1.00 2.33 O ATOM 1220 CB CYS A 80 -3.766 -0.264 -4.671 1.00 21.00 C ATOM 1221 SG CYS A 80 -4.649 -1.829 -4.469 1.00 51.14 S ATOM 0 H CYS A 80 -3.793 0.341 -2.117 1.00 22.31 H new ATOM 0 HA CYS A 80 -1.848 -0.913 -3.951 1.00 1.52 H new ATOM 0 HB2 CYS A 80 -4.458 0.558 -4.486 1.00 21.00 H new ATOM 0 HB3 CYS A 80 -3.436 -0.176 -5.706 1.00 21.00 H new ATOM 0 HG CYS A 80 -5.658 -1.867 -5.288 1.00 51.14 H new ATOM 1227 N VAL A 81 -0.565 1.159 -4.317 1.00 34.10 N ATOM 1228 CA VAL A 81 0.214 2.358 -4.601 1.00 71.45 C ATOM 1229 C VAL A 81 0.441 2.521 -6.101 1.00 3.14 C ATOM 1230 O VAL A 81 1.243 1.803 -6.699 1.00 75.54 O ATOM 1231 CB VAL A 81 1.579 2.325 -3.885 1.00 33.23 C ATOM 1232 CG1 VAL A 81 2.378 3.586 -4.183 1.00 21.43 C ATOM 1233 CG2 VAL A 81 1.390 2.149 -2.386 1.00 53.34 C ATOM 0 H VAL A 81 -0.033 0.290 -4.363 1.00 34.10 H new ATOM 0 HA VAL A 81 -0.361 3.206 -4.228 1.00 71.45 H new ATOM 0 HB VAL A 81 2.142 1.472 -4.263 1.00 33.23 H new ATOM 0 HG11 VAL A 81 3.337 3.540 -3.667 1.00 21.43 H new ATOM 0 HG12 VAL A 81 2.547 3.664 -5.257 1.00 21.43 H new ATOM 0 HG13 VAL A 81 1.823 4.458 -3.839 1.00 21.43 H new ATOM 0 HG21 VAL A 81 2.364 2.128 -1.897 1.00 53.34 H new ATOM 0 HG22 VAL A 81 0.804 2.980 -1.993 1.00 53.34 H new ATOM 0 HG23 VAL A 81 0.866 1.213 -2.193 1.00 53.34 H new ATOM 1243 N PHE A 82 -0.265 3.473 -6.700 1.00 54.11 N ATOM 1244 CA PHE A 82 -0.136 3.734 -8.128 1.00 34.23 C ATOM 1245 C PHE A 82 0.567 5.069 -8.366 1.00 65.33 C ATOM 1246 O PHE A 82 0.484 5.979 -7.542 1.00 55.03 O ATOM 1247 CB PHE A 82 -1.520 3.712 -8.799 1.00 51.43 C ATOM 1248 CG PHE A 82 -2.021 5.061 -9.241 1.00 74.21 C ATOM 1249 CD1 PHE A 82 -2.746 5.864 -8.375 1.00 51.40 C ATOM 1250 CD2 PHE A 82 -1.764 5.524 -10.521 1.00 1.02 C ATOM 1251 CE1 PHE A 82 -3.205 7.103 -8.779 1.00 32.13 C ATOM 1252 CE2 PHE A 82 -2.221 6.762 -10.931 1.00 1.11 C ATOM 1253 CZ PHE A 82 -2.942 7.552 -10.058 1.00 52.42 C ATOM 0 H PHE A 82 -0.932 4.076 -6.219 1.00 54.11 H new ATOM 0 HA PHE A 82 0.473 2.949 -8.575 1.00 34.23 H new ATOM 0 HB2 PHE A 82 -1.479 3.052 -9.665 1.00 51.43 H new ATOM 0 HB3 PHE A 82 -2.240 3.281 -8.104 1.00 51.43 H new ATOM 0 HD1 PHE A 82 -2.954 5.518 -7.374 1.00 51.40 H new ATOM 0 HD2 PHE A 82 -1.200 4.910 -11.207 1.00 1.02 H new ATOM 0 HE1 PHE A 82 -3.769 7.720 -8.095 1.00 32.13 H new ATOM 0 HE2 PHE A 82 -2.015 7.111 -11.932 1.00 1.11 H new ATOM 0 HZ PHE A 82 -3.300 8.520 -10.375 1.00 52.42 H new ATOM 1263 N ALA A 83 1.257 5.178 -9.495 1.00 2.11 N ATOM 1264 CA ALA A 83 1.971 6.402 -9.833 1.00 3.32 C ATOM 1265 C ALA A 83 1.160 7.265 -10.793 1.00 71.13 C ATOM 1266 O ALA A 83 0.774 6.816 -11.872 1.00 61.01 O ATOM 1267 CB ALA A 83 3.328 6.071 -10.436 1.00 64.21 C ATOM 0 H ALA A 83 1.337 4.436 -10.190 1.00 2.11 H new ATOM 0 HA ALA A 83 2.121 6.970 -8.915 1.00 3.32 H new ATOM 0 HB1 ALA A 83 3.851 6.995 -10.684 1.00 64.21 H new ATOM 0 HB2 ALA A 83 3.917 5.502 -9.716 1.00 64.21 H new ATOM 0 HB3 ALA A 83 3.190 5.478 -11.340 1.00 64.21 H new ATOM 1273 N ILE A 84 0.910 8.509 -10.395 1.00 44.15 N ATOM 1274 CA ILE A 84 0.149 9.437 -11.222 1.00 33.13 C ATOM 1275 C ILE A 84 0.923 9.816 -12.483 1.00 1.43 C ATOM 1276 O ILE A 84 0.361 10.383 -13.420 1.00 43.43 O ATOM 1277 CB ILE A 84 -0.206 10.720 -10.447 1.00 4.40 C ATOM 1278 CG1 ILE A 84 1.050 11.328 -9.817 1.00 3.33 C ATOM 1279 CG2 ILE A 84 -1.250 10.423 -9.382 1.00 65.44 C ATOM 1280 CD1 ILE A 84 1.138 12.829 -9.976 1.00 63.04 C ATOM 0 H ILE A 84 1.224 8.897 -9.505 1.00 44.15 H new ATOM 0 HA ILE A 84 -0.771 8.925 -11.504 1.00 33.13 H new ATOM 0 HB ILE A 84 -0.624 11.445 -11.146 1.00 4.40 H new ATOM 0 HG12 ILE A 84 1.070 11.081 -8.756 1.00 3.33 H new ATOM 0 HG13 ILE A 84 1.931 10.871 -10.268 1.00 3.33 H new ATOM 0 HG21 ILE A 84 -1.491 11.339 -8.843 1.00 65.44 H new ATOM 0 HG22 ILE A 84 -2.151 10.033 -9.855 1.00 65.44 H new ATOM 0 HG23 ILE A 84 -0.857 9.684 -8.684 1.00 65.44 H new ATOM 0 HD11 ILE A 84 2.052 13.192 -9.506 1.00 63.04 H new ATOM 0 HD12 ILE A 84 1.149 13.083 -11.036 1.00 63.04 H new ATOM 0 HD13 ILE A 84 0.276 13.296 -9.500 1.00 63.04 H new ATOM 1292 N ASN A 85 2.215 9.497 -12.503 1.00 23.04 N ATOM 1293 CA ASN A 85 3.063 9.802 -13.652 1.00 20.32 C ATOM 1294 C ASN A 85 3.179 8.588 -14.569 1.00 3.44 C ATOM 1295 O ASN A 85 3.368 8.726 -15.778 1.00 3.51 O ATOM 1296 CB ASN A 85 4.463 10.252 -13.202 1.00 31.33 C ATOM 1297 CG ASN A 85 4.572 10.451 -11.701 1.00 1.43 C ATOM 1298 OD1 ASN A 85 4.818 9.503 -10.955 1.00 44.41 O ATOM 1299 ND2 ASN A 85 4.387 11.686 -11.250 1.00 25.31 N ATOM 0 H ASN A 85 2.697 9.027 -11.737 1.00 23.04 H new ATOM 0 HA ASN A 85 2.597 10.620 -14.202 1.00 20.32 H new ATOM 0 HB2 ASN A 85 5.196 9.509 -13.518 1.00 31.33 H new ATOM 0 HB3 ASN A 85 4.717 11.185 -13.705 1.00 31.33 H new ATOM 0 HD21 ASN A 85 4.447 11.878 -10.250 1.00 25.31 H new ATOM 0 HD22 ASN A 85 4.185 12.443 -11.904 1.00 25.31 H new ATOM 1306 N ASN A 86 3.062 7.399 -13.985 1.00 23.42 N ATOM 1307 CA ASN A 86 3.151 6.160 -14.748 1.00 11.42 C ATOM 1308 C ASN A 86 1.766 5.564 -14.978 1.00 60.52 C ATOM 1309 O ASN A 86 1.145 5.034 -14.057 1.00 63.40 O ATOM 1310 CB ASN A 86 4.041 5.151 -14.016 1.00 41.20 C ATOM 1311 CG ASN A 86 5.304 4.826 -14.789 1.00 63.23 C ATOM 1312 OD1 ASN A 86 5.335 4.918 -16.016 1.00 51.54 O ATOM 1313 ND2 ASN A 86 6.355 4.444 -14.073 1.00 4.35 N ATOM 0 H ASN A 86 2.905 7.268 -12.986 1.00 23.42 H new ATOM 0 HA ASN A 86 3.593 6.388 -15.718 1.00 11.42 H new ATOM 0 HB2 ASN A 86 4.310 5.550 -13.038 1.00 41.20 H new ATOM 0 HB3 ASN A 86 3.479 4.234 -13.842 1.00 41.20 H new ATOM 0 HD21 ASN A 86 7.233 4.213 -14.539 1.00 4.35 H new ATOM 0 HD22 ASN A 86 6.285 4.382 -13.057 1.00 4.35 H new ATOM 1320 N THR A 87 1.287 5.656 -16.214 1.00 31.23 N ATOM 1321 CA THR A 87 -0.026 5.126 -16.567 1.00 4.12 C ATOM 1322 C THR A 87 -0.064 3.608 -16.411 1.00 75.34 C ATOM 1323 O THR A 87 -1.127 3.024 -16.199 1.00 53.25 O ATOM 1324 CB THR A 87 -0.384 5.512 -18.003 1.00 64.00 C ATOM 1325 OG1 THR A 87 0.033 6.836 -18.285 1.00 23.13 O ATOM 1326 CG2 THR A 87 -1.866 5.425 -18.295 1.00 71.11 C ATOM 0 H THR A 87 1.788 6.092 -16.988 1.00 31.23 H new ATOM 0 HA THR A 87 -0.759 5.559 -15.887 1.00 4.12 H new ATOM 0 HB THR A 87 0.136 4.791 -18.634 1.00 64.00 H new ATOM 0 HG1 THR A 87 -0.203 7.064 -19.208 1.00 23.13 H new ATOM 0 HG21 THR A 87 -2.050 5.712 -19.330 1.00 71.11 H new ATOM 0 HG22 THR A 87 -2.209 4.403 -18.135 1.00 71.11 H new ATOM 0 HG23 THR A 87 -2.408 6.098 -17.630 1.00 71.11 H new ATOM 1334 N LYS A 88 1.100 2.975 -16.519 1.00 54.02 N ATOM 1335 CA LYS A 88 1.196 1.525 -16.393 1.00 24.02 C ATOM 1336 C LYS A 88 0.834 1.071 -14.981 1.00 35.14 C ATOM 1337 O LYS A 88 0.087 0.109 -14.802 1.00 63.41 O ATOM 1338 CB LYS A 88 2.608 1.055 -16.745 1.00 50.31 C ATOM 1339 CG LYS A 88 2.875 0.998 -18.240 1.00 43.54 C ATOM 1340 CD LYS A 88 4.110 0.168 -18.555 1.00 33.14 C ATOM 1341 CE LYS A 88 3.775 -1.311 -18.673 1.00 60.40 C ATOM 1342 NZ LYS A 88 4.104 -1.849 -20.022 1.00 62.31 N ATOM 0 H LYS A 88 1.989 3.443 -16.693 1.00 54.02 H new ATOM 0 HA LYS A 88 0.486 1.079 -17.089 1.00 24.02 H new ATOM 0 HB2 LYS A 88 3.331 1.725 -16.280 1.00 50.31 H new ATOM 0 HB3 LYS A 88 2.770 0.065 -16.317 1.00 50.31 H new ATOM 0 HG2 LYS A 88 2.010 0.573 -18.749 1.00 43.54 H new ATOM 0 HG3 LYS A 88 3.007 2.009 -18.626 1.00 43.54 H new ATOM 0 HD2 LYS A 88 4.555 0.516 -19.487 1.00 33.14 H new ATOM 0 HD3 LYS A 88 4.855 0.312 -17.772 1.00 33.14 H new ATOM 0 HE2 LYS A 88 4.325 -1.869 -17.915 1.00 60.40 H new ATOM 0 HE3 LYS A 88 2.714 -1.460 -18.471 1.00 60.40 H new ATOM 0 HZ1 LYS A 88 3.861 -2.859 -20.062 1.00 62.31 H new ATOM 0 HZ2 LYS A 88 3.560 -1.334 -20.743 1.00 62.31 H new ATOM 0 HZ3 LYS A 88 5.121 -1.730 -20.205 1.00 62.31 H new ATOM 1356 N SER A 89 1.369 1.767 -13.982 1.00 44.52 N ATOM 1357 CA SER A 89 1.101 1.431 -12.587 1.00 52.53 C ATOM 1358 C SER A 89 -0.397 1.452 -12.297 1.00 4.43 C ATOM 1359 O SER A 89 -0.925 0.550 -11.647 1.00 23.42 O ATOM 1360 CB SER A 89 1.826 2.404 -11.656 1.00 53.22 C ATOM 1361 OG SER A 89 1.420 3.740 -11.897 1.00 41.14 O ATOM 0 H SER A 89 1.990 2.566 -14.112 1.00 44.52 H new ATOM 0 HA SER A 89 1.472 0.422 -12.407 1.00 52.53 H new ATOM 0 HB2 SER A 89 1.621 2.140 -10.618 1.00 53.22 H new ATOM 0 HB3 SER A 89 2.903 2.316 -11.801 1.00 53.22 H new ATOM 0 HG SER A 89 1.635 3.986 -12.821 1.00 41.14 H new ATOM 1367 N PHE A 90 -1.076 2.485 -12.785 1.00 4.41 N ATOM 1368 CA PHE A 90 -2.514 2.619 -12.578 1.00 63.32 C ATOM 1369 C PHE A 90 -3.261 1.424 -13.162 1.00 1.41 C ATOM 1370 O PHE A 90 -4.324 1.043 -12.671 1.00 34.30 O ATOM 1371 CB PHE A 90 -3.024 3.915 -13.214 1.00 62.00 C ATOM 1372 CG PHE A 90 -4.498 4.136 -13.028 1.00 73.24 C ATOM 1373 CD1 PHE A 90 -5.088 3.958 -11.787 1.00 2.50 C ATOM 1374 CD2 PHE A 90 -5.294 4.521 -14.095 1.00 10.04 C ATOM 1375 CE1 PHE A 90 -6.444 4.160 -11.613 1.00 4.11 C ATOM 1376 CE2 PHE A 90 -6.651 4.724 -13.927 1.00 51.35 C ATOM 1377 CZ PHE A 90 -7.227 4.543 -12.685 1.00 2.50 C ATOM 0 H PHE A 90 -0.655 3.240 -13.326 1.00 4.41 H new ATOM 0 HA PHE A 90 -2.700 2.652 -11.504 1.00 63.32 H new ATOM 0 HB2 PHE A 90 -2.482 4.758 -12.786 1.00 62.00 H new ATOM 0 HB3 PHE A 90 -2.799 3.900 -14.280 1.00 62.00 H new ATOM 0 HD1 PHE A 90 -4.481 3.658 -10.946 1.00 2.50 H new ATOM 0 HD2 PHE A 90 -4.849 4.664 -15.069 1.00 10.04 H new ATOM 0 HE1 PHE A 90 -6.891 4.019 -10.640 1.00 4.11 H new ATOM 0 HE2 PHE A 90 -7.260 5.024 -14.767 1.00 51.35 H new ATOM 0 HZ PHE A 90 -8.287 4.700 -12.552 1.00 2.50 H new ATOM 1387 N GLU A 91 -2.699 0.837 -14.214 1.00 3.54 N ATOM 1388 CA GLU A 91 -3.312 -0.314 -14.865 1.00 42.53 C ATOM 1389 C GLU A 91 -3.048 -1.593 -14.076 1.00 2.32 C ATOM 1390 O GLU A 91 -3.864 -2.515 -14.077 1.00 61.31 O ATOM 1391 CB GLU A 91 -2.780 -0.461 -16.292 1.00 4.23 C ATOM 1392 CG GLU A 91 -2.946 0.793 -17.135 1.00 45.53 C ATOM 1393 CD GLU A 91 -3.626 0.519 -18.462 1.00 73.35 C ATOM 1394 OE1 GLU A 91 -4.662 -0.179 -18.466 1.00 62.43 O ATOM 1395 OE2 GLU A 91 -3.123 1.003 -19.498 1.00 41.52 O ATOM 0 H GLU A 91 -1.820 1.140 -14.633 1.00 3.54 H new ATOM 0 HA GLU A 91 -4.389 -0.149 -14.901 1.00 42.53 H new ATOM 0 HB2 GLU A 91 -1.723 -0.724 -16.252 1.00 4.23 H new ATOM 0 HB3 GLU A 91 -3.296 -1.288 -16.780 1.00 4.23 H new ATOM 0 HG2 GLU A 91 -3.528 1.526 -16.577 1.00 45.53 H new ATOM 0 HG3 GLU A 91 -1.967 1.236 -17.318 1.00 45.53 H new ATOM 1402 N ASP A 92 -1.903 -1.642 -13.401 1.00 65.42 N ATOM 1403 CA ASP A 92 -1.533 -2.808 -12.607 1.00 61.41 C ATOM 1404 C ASP A 92 -2.382 -2.895 -11.343 1.00 13.42 C ATOM 1405 O ASP A 92 -2.672 -3.986 -10.852 1.00 50.53 O ATOM 1406 CB ASP A 92 -0.050 -2.750 -12.239 1.00 41.31 C ATOM 1407 CG ASP A 92 0.830 -2.451 -13.437 1.00 52.54 C ATOM 1408 OD1 ASP A 92 0.613 -3.067 -14.502 1.00 30.25 O ATOM 1409 OD2 ASP A 92 1.736 -1.601 -13.311 1.00 22.31 O ATOM 0 H ASP A 92 -1.216 -0.888 -13.388 1.00 65.42 H new ATOM 0 HA ASP A 92 -1.715 -3.700 -13.207 1.00 61.41 H new ATOM 0 HB2 ASP A 92 0.103 -1.984 -11.478 1.00 41.31 H new ATOM 0 HB3 ASP A 92 0.250 -3.701 -11.799 1.00 41.31 H new ATOM 1414 N ILE A 93 -2.783 -1.740 -10.822 1.00 24.02 N ATOM 1415 CA ILE A 93 -3.605 -1.690 -9.619 1.00 3.20 C ATOM 1416 C ILE A 93 -4.931 -2.415 -9.841 1.00 4.33 C ATOM 1417 O ILE A 93 -5.522 -2.950 -8.903 1.00 42.31 O ATOM 1418 CB ILE A 93 -3.881 -0.232 -9.188 1.00 52.40 C ATOM 1419 CG1 ILE A 93 -2.594 0.448 -8.736 1.00 72.53 C ATOM 1420 CG2 ILE A 93 -4.907 -0.176 -8.072 1.00 31.30 C ATOM 1421 CD1 ILE A 93 -1.835 -0.327 -7.679 1.00 3.55 C ATOM 0 H ILE A 93 -2.552 -0.827 -11.214 1.00 24.02 H new ATOM 0 HA ILE A 93 -3.050 -2.189 -8.825 1.00 3.20 H new ATOM 0 HB ILE A 93 -4.279 0.297 -10.054 1.00 52.40 H new ATOM 0 HG12 ILE A 93 -1.947 0.594 -9.601 1.00 72.53 H new ATOM 0 HG13 ILE A 93 -2.834 1.437 -8.347 1.00 72.53 H new ATOM 0 HG21 ILE A 93 -5.081 0.862 -7.789 1.00 31.30 H new ATOM 0 HG22 ILE A 93 -5.842 -0.620 -8.414 1.00 31.30 H new ATOM 0 HG23 ILE A 93 -4.537 -0.730 -7.209 1.00 31.30 H new ATOM 0 HD11 ILE A 93 -0.931 0.218 -7.407 1.00 3.55 H new ATOM 0 HD12 ILE A 93 -2.463 -0.451 -6.797 1.00 3.55 H new ATOM 0 HD13 ILE A 93 -1.563 -1.307 -8.071 1.00 3.55 H new ATOM 1433 N HIS A 94 -5.390 -2.427 -11.088 1.00 61.34 N ATOM 1434 CA HIS A 94 -6.643 -3.085 -11.436 1.00 21.11 C ATOM 1435 C HIS A 94 -6.490 -4.604 -11.387 1.00 54.31 C ATOM 1436 O HIS A 94 -7.239 -5.291 -10.691 1.00 64.33 O ATOM 1437 CB HIS A 94 -7.099 -2.640 -12.831 1.00 40.34 C ATOM 1438 CG HIS A 94 -8.160 -3.510 -13.434 1.00 73.24 C ATOM 1439 ND1 HIS A 94 -9.444 -3.591 -12.936 1.00 20.31 N ATOM 1440 CD2 HIS A 94 -8.121 -4.341 -14.503 1.00 24.44 C ATOM 1441 CE1 HIS A 94 -10.147 -4.435 -13.670 1.00 12.14 C ATOM 1442 NE2 HIS A 94 -9.367 -4.903 -14.627 1.00 30.42 N ATOM 0 H HIS A 94 -4.912 -1.988 -11.875 1.00 61.34 H new ATOM 0 HA HIS A 94 -7.400 -2.796 -10.707 1.00 21.11 H new ATOM 0 HB2 HIS A 94 -7.473 -1.618 -12.770 1.00 40.34 H new ATOM 0 HB3 HIS A 94 -6.236 -2.624 -13.496 1.00 40.34 H new ATOM 0 HD1 HIS A 94 -9.796 -3.079 -12.127 1.00 20.31 H new ATOM 0 HD2 HIS A 94 -7.268 -4.527 -15.139 1.00 24.44 H new ATOM 0 HE1 HIS A 94 -11.183 -4.697 -13.514 1.00 12.14 H new ATOM 1451 N GLN A 95 -5.518 -5.121 -12.131 1.00 74.24 N ATOM 1452 CA GLN A 95 -5.271 -6.558 -12.174 1.00 62.14 C ATOM 1453 C GLN A 95 -4.760 -7.067 -10.830 1.00 42.41 C ATOM 1454 O GLN A 95 -4.984 -8.222 -10.468 1.00 31.11 O ATOM 1455 CB GLN A 95 -4.265 -6.891 -13.276 1.00 14.14 C ATOM 1456 CG GLN A 95 -2.928 -6.192 -13.108 1.00 34.44 C ATOM 1457 CD GLN A 95 -1.947 -7.002 -12.283 1.00 50.50 C ATOM 1458 OE1 GLN A 95 -2.208 -8.156 -11.942 1.00 20.51 O ATOM 1459 NE2 GLN A 95 -0.809 -6.399 -11.956 1.00 2.12 N ATOM 0 H GLN A 95 -4.889 -4.567 -12.712 1.00 74.24 H new ATOM 0 HA GLN A 95 -6.216 -7.055 -12.392 1.00 62.14 H new ATOM 0 HB2 GLN A 95 -4.103 -7.969 -13.295 1.00 14.14 H new ATOM 0 HB3 GLN A 95 -4.691 -6.616 -14.241 1.00 14.14 H new ATOM 0 HG2 GLN A 95 -2.498 -5.998 -14.090 1.00 34.44 H new ATOM 0 HG3 GLN A 95 -3.085 -5.224 -12.632 1.00 34.44 H new ATOM 0 HE21 GLN A 95 -0.634 -5.441 -12.260 1.00 2.12 H new ATOM 0 HE22 GLN A 95 -0.111 -6.894 -11.401 1.00 2.12 H new ATOM 1468 N TYR A 96 -4.073 -6.199 -10.093 1.00 61.35 N ATOM 1469 CA TYR A 96 -3.532 -6.566 -8.790 1.00 34.42 C ATOM 1470 C TYR A 96 -4.652 -6.888 -7.805 1.00 13.31 C ATOM 1471 O TYR A 96 -4.539 -7.817 -7.005 1.00 34.42 O ATOM 1472 CB TYR A 96 -2.660 -5.437 -8.239 1.00 31.43 C ATOM 1473 CG TYR A 96 -1.200 -5.561 -8.616 1.00 14.40 C ATOM 1474 CD1 TYR A 96 -0.508 -6.748 -8.409 1.00 43.43 C ATOM 1475 CD2 TYR A 96 -0.516 -4.492 -9.180 1.00 35.43 C ATOM 1476 CE1 TYR A 96 0.825 -6.865 -8.753 1.00 55.01 C ATOM 1477 CE2 TYR A 96 0.818 -4.602 -9.527 1.00 60.42 C ATOM 1478 CZ TYR A 96 1.483 -5.790 -9.312 1.00 33.53 C ATOM 1479 OH TYR A 96 2.811 -5.903 -9.656 1.00 74.50 O ATOM 0 H TYR A 96 -3.878 -5.239 -10.376 1.00 61.35 H new ATOM 0 HA TYR A 96 -2.919 -7.458 -8.918 1.00 34.42 H new ATOM 0 HB2 TYR A 96 -3.041 -4.483 -8.604 1.00 31.43 H new ATOM 0 HB3 TYR A 96 -2.746 -5.420 -7.153 1.00 31.43 H new ATOM 0 HD1 TYR A 96 -1.020 -7.593 -7.972 1.00 43.43 H new ATOM 0 HD2 TYR A 96 -1.034 -3.560 -9.350 1.00 35.43 H new ATOM 0 HE1 TYR A 96 1.349 -7.794 -8.585 1.00 55.01 H new ATOM 0 HE2 TYR A 96 1.336 -3.761 -9.964 1.00 60.42 H new ATOM 0 HH TYR A 96 3.370 -5.673 -8.884 1.00 74.50 H new ATOM 1489 N ARG A 97 -5.733 -6.117 -7.870 1.00 62.52 N ATOM 1490 CA ARG A 97 -6.873 -6.325 -6.984 1.00 44.14 C ATOM 1491 C ARG A 97 -7.456 -7.724 -7.173 1.00 33.34 C ATOM 1492 O ARG A 97 -7.946 -8.336 -6.224 1.00 71.11 O ATOM 1493 CB ARG A 97 -7.949 -5.263 -7.245 1.00 13.32 C ATOM 1494 CG ARG A 97 -9.287 -5.569 -6.586 1.00 74.42 C ATOM 1495 CD ARG A 97 -9.901 -4.331 -5.953 1.00 75.51 C ATOM 1496 NE ARG A 97 -11.354 -4.304 -6.105 1.00 1.03 N ATOM 1497 CZ ARG A 97 -12.178 -3.658 -5.282 1.00 43.31 C ATOM 1498 NH1 ARG A 97 -11.698 -2.972 -4.252 1.00 4.20 N ATOM 1499 NH2 ARG A 97 -13.487 -3.694 -5.492 1.00 24.53 N ATOM 0 H ARG A 97 -5.843 -5.344 -8.526 1.00 62.52 H new ATOM 0 HA ARG A 97 -6.528 -6.232 -5.954 1.00 44.14 H new ATOM 0 HB2 ARG A 97 -7.589 -4.299 -6.885 1.00 13.32 H new ATOM 0 HB3 ARG A 97 -8.098 -5.167 -8.320 1.00 13.32 H new ATOM 0 HG2 ARG A 97 -9.973 -5.976 -7.329 1.00 74.42 H new ATOM 0 HG3 ARG A 97 -9.150 -6.337 -5.824 1.00 74.42 H new ATOM 0 HD2 ARG A 97 -9.646 -4.301 -4.894 1.00 75.51 H new ATOM 0 HD3 ARG A 97 -9.472 -3.439 -6.410 1.00 75.51 H new ATOM 0 HE ARG A 97 -11.762 -4.811 -6.890 1.00 1.03 H new ATOM 0 HH11 ARG A 97 -10.692 -2.937 -4.087 1.00 4.20 H new ATOM 0 HH12 ARG A 97 -12.335 -2.480 -3.626 1.00 4.20 H new ATOM 0 HH21 ARG A 97 -13.862 -4.216 -6.284 1.00 24.53 H new ATOM 0 HH22 ARG A 97 -14.118 -3.199 -4.862 1.00 24.53 H new ATOM 1513 N GLU A 98 -7.399 -8.222 -8.404 1.00 44.51 N ATOM 1514 CA GLU A 98 -7.922 -9.548 -8.717 1.00 35.04 C ATOM 1515 C GLU A 98 -7.275 -10.613 -7.837 1.00 72.53 C ATOM 1516 O GLU A 98 -7.889 -11.635 -7.528 1.00 41.23 O ATOM 1517 CB GLU A 98 -7.686 -9.876 -10.193 1.00 44.34 C ATOM 1518 CG GLU A 98 -8.302 -8.865 -11.146 1.00 11.14 C ATOM 1519 CD GLU A 98 -7.832 -9.050 -12.575 1.00 54.22 C ATOM 1520 OE1 GLU A 98 -6.642 -9.374 -12.772 1.00 32.12 O ATOM 1521 OE2 GLU A 98 -8.654 -8.871 -13.499 1.00 71.54 O ATOM 0 H GLU A 98 -6.996 -7.728 -9.201 1.00 44.51 H new ATOM 0 HA GLU A 98 -8.994 -9.544 -8.519 1.00 35.04 H new ATOM 0 HB2 GLU A 98 -6.613 -9.930 -10.378 1.00 44.34 H new ATOM 0 HB3 GLU A 98 -8.097 -10.863 -10.408 1.00 44.34 H new ATOM 0 HG2 GLU A 98 -9.388 -8.952 -11.110 1.00 11.14 H new ATOM 0 HG3 GLU A 98 -8.052 -7.858 -10.813 1.00 11.14 H new ATOM 1528 N GLN A 99 -6.033 -10.367 -7.434 1.00 40.22 N ATOM 1529 CA GLN A 99 -5.304 -11.304 -6.587 1.00 52.34 C ATOM 1530 C GLN A 99 -5.875 -11.312 -5.172 1.00 53.02 C ATOM 1531 O GLN A 99 -6.054 -12.370 -4.570 1.00 52.41 O ATOM 1532 CB GLN A 99 -3.817 -10.942 -6.553 1.00 52.03 C ATOM 1533 CG GLN A 99 -2.907 -12.064 -7.025 1.00 40.43 C ATOM 1534 CD GLN A 99 -2.267 -12.817 -5.876 1.00 42.25 C ATOM 1535 OE1 GLN A 99 -2.856 -12.953 -4.803 1.00 55.05 O ATOM 1536 NE2 GLN A 99 -1.055 -13.312 -6.095 1.00 72.41 N ATOM 0 H GLN A 99 -5.510 -9.527 -7.680 1.00 40.22 H new ATOM 0 HA GLN A 99 -5.415 -12.303 -7.009 1.00 52.34 H new ATOM 0 HB2 GLN A 99 -3.651 -10.064 -7.177 1.00 52.03 H new ATOM 0 HB3 GLN A 99 -3.542 -10.666 -5.535 1.00 52.03 H new ATOM 0 HG2 GLN A 99 -3.482 -12.760 -7.636 1.00 40.43 H new ATOM 0 HG3 GLN A 99 -2.126 -11.650 -7.663 1.00 40.43 H new ATOM 0 HE21 GLN A 99 -0.604 -13.175 -7.000 1.00 72.41 H new ATOM 0 HE22 GLN A 99 -0.575 -13.829 -5.359 1.00 72.41 H new ATOM 1545 N ILE A 100 -6.158 -10.124 -4.648 1.00 12.25 N ATOM 1546 CA ILE A 100 -6.710 -9.992 -3.305 1.00 21.23 C ATOM 1547 C ILE A 100 -8.094 -10.632 -3.218 1.00 4.43 C ATOM 1548 O ILE A 100 -8.359 -11.446 -2.334 1.00 0.25 O ATOM 1549 CB ILE A 100 -6.806 -8.508 -2.884 1.00 63.02 C ATOM 1550 CG1 ILE A 100 -5.407 -7.900 -2.773 1.00 71.31 C ATOM 1551 CG2 ILE A 100 -7.556 -8.363 -1.565 1.00 41.24 C ATOM 1552 CD1 ILE A 100 -5.403 -6.387 -2.794 1.00 74.40 C ATOM 0 H ILE A 100 -6.014 -9.239 -5.133 1.00 12.25 H new ATOM 0 HA ILE A 100 -6.033 -10.509 -2.625 1.00 21.23 H new ATOM 0 HB ILE A 100 -7.364 -7.970 -3.650 1.00 63.02 H new ATOM 0 HG12 ILE A 100 -4.942 -8.244 -1.849 1.00 71.31 H new ATOM 0 HG13 ILE A 100 -4.793 -8.269 -3.595 1.00 71.31 H new ATOM 0 HG21 ILE A 100 -7.610 -7.309 -1.291 1.00 41.24 H new ATOM 0 HG22 ILE A 100 -8.565 -8.761 -1.674 1.00 41.24 H new ATOM 0 HG23 ILE A 100 -7.031 -8.914 -0.785 1.00 41.24 H new ATOM 0 HD11 ILE A 100 -4.378 -6.025 -2.711 1.00 74.40 H new ATOM 0 HD12 ILE A 100 -5.838 -6.035 -3.729 1.00 74.40 H new ATOM 0 HD13 ILE A 100 -5.990 -6.010 -1.956 1.00 74.40 H new ATOM 1564 N LYS A 101 -8.974 -10.252 -4.140 1.00 55.44 N ATOM 1565 CA LYS A 101 -10.335 -10.780 -4.169 1.00 1.03 C ATOM 1566 C LYS A 101 -10.337 -12.306 -4.186 1.00 34.23 C ATOM 1567 O LYS A 101 -11.189 -12.941 -3.566 1.00 44.31 O ATOM 1568 CB LYS A 101 -11.085 -10.244 -5.390 1.00 53.13 C ATOM 1569 CG LYS A 101 -11.249 -8.733 -5.386 1.00 32.31 C ATOM 1570 CD LYS A 101 -11.403 -8.186 -6.796 1.00 2.23 C ATOM 1571 CE LYS A 101 -12.656 -8.724 -7.468 1.00 63.51 C ATOM 1572 NZ LYS A 101 -13.021 -7.933 -8.675 1.00 33.33 N ATOM 0 H LYS A 101 -8.769 -9.579 -4.878 1.00 55.44 H new ATOM 0 HA LYS A 101 -10.841 -10.449 -3.262 1.00 1.03 H new ATOM 0 HB2 LYS A 101 -10.552 -10.541 -6.293 1.00 53.13 H new ATOM 0 HB3 LYS A 101 -12.070 -10.708 -5.434 1.00 53.13 H new ATOM 0 HG2 LYS A 101 -12.122 -8.462 -4.792 1.00 32.31 H new ATOM 0 HG3 LYS A 101 -10.384 -8.273 -4.909 1.00 32.31 H new ATOM 0 HD2 LYS A 101 -11.446 -7.097 -6.763 1.00 2.23 H new ATOM 0 HD3 LYS A 101 -10.528 -8.453 -7.389 1.00 2.23 H new ATOM 0 HE2 LYS A 101 -12.498 -9.765 -7.750 1.00 63.51 H new ATOM 0 HE3 LYS A 101 -13.484 -8.708 -6.759 1.00 63.51 H new ATOM 0 HZ1 LYS A 101 -13.879 -7.379 -8.480 1.00 33.33 H new ATOM 0 HZ2 LYS A 101 -12.241 -7.289 -8.917 1.00 33.33 H new ATOM 0 HZ3 LYS A 101 -13.198 -8.577 -9.472 1.00 33.33 H new ATOM 1586 N ARG A 102 -9.379 -12.889 -4.900 1.00 72.24 N ATOM 1587 CA ARG A 102 -9.277 -14.341 -4.993 1.00 24.51 C ATOM 1588 C ARG A 102 -8.977 -14.953 -3.629 1.00 52.14 C ATOM 1589 O ARG A 102 -9.716 -15.811 -3.146 1.00 73.22 O ATOM 1590 CB ARG A 102 -8.191 -14.735 -5.996 1.00 51.22 C ATOM 1591 CG ARG A 102 -8.561 -15.936 -6.851 1.00 23.54 C ATOM 1592 CD ARG A 102 -7.993 -15.816 -8.256 1.00 74.22 C ATOM 1593 NE ARG A 102 -8.257 -17.010 -9.056 1.00 3.52 N ATOM 1594 CZ ARG A 102 -9.417 -17.257 -9.661 1.00 14.11 C ATOM 1595 NH1 ARG A 102 -10.423 -16.396 -9.562 1.00 1.52 N ATOM 1596 NH2 ARG A 102 -9.572 -18.368 -10.369 1.00 3.34 N ATOM 0 H ARG A 102 -8.665 -12.380 -5.421 1.00 72.24 H new ATOM 0 HA ARG A 102 -10.236 -14.727 -5.340 1.00 24.51 H new ATOM 0 HB2 ARG A 102 -7.984 -13.886 -6.647 1.00 51.22 H new ATOM 0 HB3 ARG A 102 -7.270 -14.954 -5.455 1.00 51.22 H new ATOM 0 HG2 ARG A 102 -8.187 -16.846 -6.383 1.00 23.54 H new ATOM 0 HG3 ARG A 102 -9.646 -16.027 -6.903 1.00 23.54 H new ATOM 0 HD2 ARG A 102 -8.426 -14.946 -8.749 1.00 74.22 H new ATOM 0 HD3 ARG A 102 -6.918 -15.648 -8.199 1.00 74.22 H new ATOM 0 HE ARG A 102 -7.508 -17.695 -9.157 1.00 3.52 H new ATOM 0 HH11 ARG A 102 -10.310 -15.539 -9.020 1.00 1.52 H new ATOM 0 HH12 ARG A 102 -11.309 -16.591 -10.028 1.00 1.52 H new ATOM 0 HH21 ARG A 102 -8.803 -19.033 -10.450 1.00 3.34 H new ATOM 0 HH22 ARG A 102 -10.461 -18.558 -10.833 1.00 3.34 H new ATOM 1610 N VAL A 103 -7.889 -14.505 -3.009 1.00 62.23 N ATOM 1611 CA VAL A 103 -7.494 -15.006 -1.700 1.00 3.32 C ATOM 1612 C VAL A 103 -8.550 -14.681 -0.650 1.00 0.12 C ATOM 1613 O VAL A 103 -9.012 -15.562 0.075 1.00 0.15 O ATOM 1614 CB VAL A 103 -6.143 -14.410 -1.259 1.00 10.25 C ATOM 1615 CG1 VAL A 103 -5.693 -15.020 0.059 1.00 51.54 C ATOM 1616 CG2 VAL A 103 -5.090 -14.614 -2.339 1.00 62.24 C ATOM 0 H VAL A 103 -7.266 -13.795 -3.394 1.00 62.23 H new ATOM 0 HA VAL A 103 -7.394 -16.088 -1.787 1.00 3.32 H new ATOM 0 HB VAL A 103 -6.272 -13.338 -1.109 1.00 10.25 H new ATOM 0 HG11 VAL A 103 -4.737 -14.586 0.353 1.00 51.54 H new ATOM 0 HG12 VAL A 103 -6.437 -14.814 0.828 1.00 51.54 H new ATOM 0 HG13 VAL A 103 -5.581 -16.098 -0.058 1.00 51.54 H new ATOM 0 HG21 VAL A 103 -4.143 -14.187 -2.009 1.00 62.24 H new ATOM 0 HG22 VAL A 103 -4.962 -15.680 -2.525 1.00 62.24 H new ATOM 0 HG23 VAL A 103 -5.410 -14.121 -3.257 1.00 62.24 H new ATOM 1626 N LYS A 104 -8.928 -13.409 -0.575 1.00 21.51 N ATOM 1627 CA LYS A 104 -9.931 -12.965 0.385 1.00 73.05 C ATOM 1628 C LYS A 104 -11.290 -13.584 0.077 1.00 72.32 C ATOM 1629 O LYS A 104 -12.125 -13.746 0.967 1.00 32.33 O ATOM 1630 CB LYS A 104 -10.038 -11.438 0.373 1.00 1.22 C ATOM 1631 CG LYS A 104 -8.726 -10.732 0.673 1.00 0.40 C ATOM 1632 CD LYS A 104 -8.278 -10.972 2.107 1.00 1.34 C ATOM 1633 CE LYS A 104 -8.724 -9.847 3.027 1.00 42.34 C ATOM 1634 NZ LYS A 104 -9.410 -10.364 4.243 1.00 4.12 N ATOM 0 H LYS A 104 -8.555 -12.668 -1.168 1.00 21.51 H new ATOM 0 HA LYS A 104 -9.619 -13.293 1.377 1.00 73.05 H new ATOM 0 HB2 LYS A 104 -10.399 -11.115 -0.604 1.00 1.22 H new ATOM 0 HB3 LYS A 104 -10.783 -11.129 1.106 1.00 1.22 H new ATOM 0 HG2 LYS A 104 -7.956 -11.085 -0.013 1.00 0.40 H new ATOM 0 HG3 LYS A 104 -8.840 -9.662 0.501 1.00 0.40 H new ATOM 0 HD2 LYS A 104 -8.686 -11.918 2.463 1.00 1.34 H new ATOM 0 HD3 LYS A 104 -7.192 -11.061 2.140 1.00 1.34 H new ATOM 0 HE2 LYS A 104 -7.858 -9.255 3.323 1.00 42.34 H new ATOM 0 HE3 LYS A 104 -9.396 -9.181 2.486 1.00 42.34 H new ATOM 0 HZ1 LYS A 104 -9.699 -9.566 4.844 1.00 4.12 H new ATOM 0 HZ2 LYS A 104 -10.251 -10.908 3.962 1.00 4.12 H new ATOM 0 HZ3 LYS A 104 -8.760 -10.980 4.773 1.00 4.12 H new ATOM 1648 N ASP A 105 -11.505 -13.930 -1.189 1.00 44.53 N ATOM 1649 CA ASP A 105 -12.763 -14.534 -1.614 1.00 14.24 C ATOM 1650 C ASP A 105 -13.921 -13.555 -1.439 1.00 61.50 C ATOM 1651 O ASP A 105 -14.991 -13.922 -0.954 1.00 30.32 O ATOM 1652 CB ASP A 105 -13.032 -15.814 -0.820 1.00 32.21 C ATOM 1653 CG ASP A 105 -13.903 -16.794 -1.581 1.00 41.24 C ATOM 1654 OD1 ASP A 105 -13.490 -17.231 -2.675 1.00 42.30 O ATOM 1655 OD2 ASP A 105 -14.999 -17.126 -1.081 1.00 13.14 O ATOM 0 H ASP A 105 -10.824 -13.802 -1.938 1.00 44.53 H new ATOM 0 HA ASP A 105 -12.681 -14.784 -2.672 1.00 14.24 H new ATOM 0 HB2 ASP A 105 -12.084 -16.291 -0.573 1.00 32.21 H new ATOM 0 HB3 ASP A 105 -13.516 -15.559 0.123 1.00 32.21 H new ATOM 1660 N SER A 106 -13.696 -12.308 -1.839 1.00 51.03 N ATOM 1661 CA SER A 106 -14.718 -11.274 -1.728 1.00 75.21 C ATOM 1662 C SER A 106 -14.305 -10.020 -2.491 1.00 74.42 C ATOM 1663 O SER A 106 -13.135 -9.636 -2.489 1.00 75.21 O ATOM 1664 CB SER A 106 -14.972 -10.932 -0.259 1.00 33.32 C ATOM 1665 OG SER A 106 -16.041 -11.700 0.266 1.00 21.13 O ATOM 0 H SER A 106 -12.815 -11.989 -2.243 1.00 51.03 H new ATOM 0 HA SER A 106 -15.639 -11.659 -2.167 1.00 75.21 H new ATOM 0 HB2 SER A 106 -14.068 -11.116 0.322 1.00 33.32 H new ATOM 0 HB3 SER A 106 -15.202 -9.871 -0.164 1.00 33.32 H new ATOM 0 HG SER A 106 -15.945 -12.632 -0.020 1.00 21.13 H new ATOM 1671 N ASP A 107 -15.273 -9.386 -3.144 1.00 35.21 N ATOM 1672 CA ASP A 107 -15.011 -8.175 -3.914 1.00 74.22 C ATOM 1673 C ASP A 107 -14.864 -6.964 -2.997 1.00 44.21 C ATOM 1674 O ASP A 107 -14.173 -6.002 -3.331 1.00 12.14 O ATOM 1675 CB ASP A 107 -16.139 -7.934 -4.919 1.00 13.14 C ATOM 1676 CG ASP A 107 -15.890 -6.717 -5.789 1.00 35.10 C ATOM 1677 OD1 ASP A 107 -16.207 -5.594 -5.343 1.00 40.11 O ATOM 1678 OD2 ASP A 107 -15.379 -6.887 -6.916 1.00 55.03 O ATOM 0 H ASP A 107 -16.246 -9.690 -3.156 1.00 35.21 H new ATOM 0 HA ASP A 107 -14.074 -8.313 -4.453 1.00 74.22 H new ATOM 0 HB2 ASP A 107 -16.251 -8.813 -5.553 1.00 13.14 H new ATOM 0 HB3 ASP A 107 -17.079 -7.807 -4.382 1.00 13.14 H new ATOM 1683 N ASP A 108 -15.521 -7.016 -1.843 1.00 64.14 N ATOM 1684 CA ASP A 108 -15.463 -5.920 -0.883 1.00 74.13 C ATOM 1685 C ASP A 108 -14.445 -6.203 0.217 1.00 12.43 C ATOM 1686 O ASP A 108 -14.796 -6.691 1.291 1.00 43.34 O ATOM 1687 CB ASP A 108 -16.844 -5.684 -0.266 1.00 4.25 C ATOM 1688 CG ASP A 108 -16.861 -4.496 0.676 1.00 34.34 C ATOM 1689 OD1 ASP A 108 -16.903 -3.349 0.185 1.00 51.21 O ATOM 1690 OD2 ASP A 108 -16.833 -4.714 1.906 1.00 22.12 O ATOM 0 H ASP A 108 -16.099 -7.804 -1.550 1.00 64.14 H new ATOM 0 HA ASP A 108 -15.149 -5.023 -1.417 1.00 74.13 H new ATOM 0 HB2 ASP A 108 -17.572 -5.524 -1.062 1.00 4.25 H new ATOM 0 HB3 ASP A 108 -17.155 -6.578 0.275 1.00 4.25 H new ATOM 1695 N VAL A 109 -13.182 -5.888 -0.055 1.00 0.42 N ATOM 1696 CA VAL A 109 -12.115 -6.103 0.916 1.00 71.32 C ATOM 1697 C VAL A 109 -11.557 -4.772 1.417 1.00 32.23 C ATOM 1698 O VAL A 109 -11.588 -3.770 0.703 1.00 53.21 O ATOM 1699 CB VAL A 109 -10.966 -6.946 0.324 1.00 75.54 C ATOM 1700 CG1 VAL A 109 -11.491 -8.268 -0.213 1.00 33.22 C ATOM 1701 CG2 VAL A 109 -10.234 -6.176 -0.767 1.00 24.40 C ATOM 0 H VAL A 109 -12.873 -5.483 -0.939 1.00 0.42 H new ATOM 0 HA VAL A 109 -12.553 -6.650 1.751 1.00 71.32 H new ATOM 0 HB VAL A 109 -10.256 -7.159 1.123 1.00 75.54 H new ATOM 0 HG11 VAL A 109 -10.665 -8.847 -0.626 1.00 33.22 H new ATOM 0 HG12 VAL A 109 -11.959 -8.829 0.596 1.00 33.22 H new ATOM 0 HG13 VAL A 109 -12.226 -8.077 -0.995 1.00 33.22 H new ATOM 0 HG21 VAL A 109 -9.429 -6.791 -1.169 1.00 24.40 H new ATOM 0 HG22 VAL A 109 -10.932 -5.925 -1.566 1.00 24.40 H new ATOM 0 HG23 VAL A 109 -9.817 -5.260 -0.349 1.00 24.40 H new ATOM 1711 N PRO A 110 -11.036 -4.745 2.656 1.00 55.13 N ATOM 1712 CA PRO A 110 -10.471 -3.528 3.245 1.00 64.44 C ATOM 1713 C PRO A 110 -9.146 -3.135 2.601 1.00 43.35 C ATOM 1714 O PRO A 110 -8.101 -3.709 2.909 1.00 24.54 O ATOM 1715 CB PRO A 110 -10.259 -3.907 4.712 1.00 11.04 C ATOM 1716 CG PRO A 110 -10.098 -5.388 4.702 1.00 34.55 C ATOM 1717 CD PRO A 110 -10.958 -5.895 3.576 1.00 14.42 C ATOM 0 HA PRO A 110 -11.124 -2.667 3.104 1.00 64.44 H new ATOM 0 HB2 PRO A 110 -9.378 -3.416 5.124 1.00 11.04 H new ATOM 0 HB3 PRO A 110 -11.108 -3.605 5.325 1.00 11.04 H new ATOM 0 HG2 PRO A 110 -9.055 -5.665 4.551 1.00 34.55 H new ATOM 0 HG3 PRO A 110 -10.408 -5.820 5.654 1.00 34.55 H new ATOM 0 HD2 PRO A 110 -10.514 -6.766 3.093 1.00 14.42 H new ATOM 0 HD3 PRO A 110 -11.945 -6.194 3.929 1.00 14.42 H new ATOM 1725 N MET A 111 -9.195 -2.155 1.706 1.00 45.32 N ATOM 1726 CA MET A 111 -7.995 -1.689 1.020 1.00 40.13 C ATOM 1727 C MET A 111 -8.114 -0.216 0.647 1.00 72.21 C ATOM 1728 O MET A 111 -9.191 0.374 0.739 1.00 64.22 O ATOM 1729 CB MET A 111 -7.741 -2.526 -0.235 1.00 74.51 C ATOM 1730 CG MET A 111 -8.858 -2.441 -1.261 1.00 53.04 C ATOM 1731 SD MET A 111 -8.333 -2.981 -2.898 1.00 61.22 S ATOM 1732 CE MET A 111 -8.346 -4.757 -2.679 1.00 34.31 C ATOM 0 H MET A 111 -10.051 -1.668 1.439 1.00 45.32 H new ATOM 0 HA MET A 111 -7.153 -1.803 1.702 1.00 40.13 H new ATOM 0 HB2 MET A 111 -6.809 -2.199 -0.697 1.00 74.51 H new ATOM 0 HB3 MET A 111 -7.604 -3.568 0.055 1.00 74.51 H new ATOM 0 HG2 MET A 111 -9.697 -3.054 -0.932 1.00 53.04 H new ATOM 0 HG3 MET A 111 -9.217 -1.413 -1.319 1.00 53.04 H new ATOM 0 HE1 MET A 111 -7.754 -5.225 -3.466 1.00 34.31 H new ATOM 0 HE2 MET A 111 -7.920 -5.007 -1.707 1.00 34.31 H new ATOM 0 HE3 MET A 111 -9.372 -5.122 -2.730 1.00 34.31 H new ATOM 1742 N VAL A 112 -7.000 0.372 0.224 1.00 72.23 N ATOM 1743 CA VAL A 112 -6.975 1.777 -0.164 1.00 61.41 C ATOM 1744 C VAL A 112 -6.065 1.997 -1.367 1.00 15.14 C ATOM 1745 O VAL A 112 -5.084 1.278 -1.557 1.00 4.43 O ATOM 1746 CB VAL A 112 -6.498 2.671 0.996 1.00 22.50 C ATOM 1747 CG1 VAL A 112 -6.618 4.141 0.626 1.00 75.02 C ATOM 1748 CG2 VAL A 112 -7.285 2.366 2.261 1.00 63.33 C ATOM 0 H VAL A 112 -6.102 -0.104 0.141 1.00 72.23 H new ATOM 0 HA VAL A 112 -7.996 2.051 -0.428 1.00 61.41 H new ATOM 0 HB VAL A 112 -5.447 2.456 1.187 1.00 22.50 H new ATOM 0 HG11 VAL A 112 -6.276 4.755 1.459 1.00 75.02 H new ATOM 0 HG12 VAL A 112 -6.005 4.346 -0.252 1.00 75.02 H new ATOM 0 HG13 VAL A 112 -7.659 4.377 0.405 1.00 75.02 H new ATOM 0 HG21 VAL A 112 -6.935 3.007 3.071 1.00 63.33 H new ATOM 0 HG22 VAL A 112 -8.344 2.551 2.084 1.00 63.33 H new ATOM 0 HG23 VAL A 112 -7.140 1.321 2.537 1.00 63.33 H new ATOM 1758 N LEU A 113 -6.396 2.997 -2.177 1.00 42.05 N ATOM 1759 CA LEU A 113 -5.609 3.315 -3.361 1.00 4.24 C ATOM 1760 C LEU A 113 -4.890 4.649 -3.193 1.00 22.51 C ATOM 1761 O LEU A 113 -5.525 5.699 -3.086 1.00 60.53 O ATOM 1762 CB LEU A 113 -6.506 3.355 -4.602 1.00 30.31 C ATOM 1763 CG LEU A 113 -5.810 3.773 -5.902 1.00 62.31 C ATOM 1764 CD1 LEU A 113 -4.417 3.166 -5.990 1.00 41.02 C ATOM 1765 CD2 LEU A 113 -6.646 3.362 -7.105 1.00 71.11 C ATOM 0 H LEU A 113 -7.205 3.601 -2.034 1.00 42.05 H new ATOM 0 HA LEU A 113 -4.860 2.534 -3.490 1.00 4.24 H new ATOM 0 HB2 LEU A 113 -6.944 2.367 -4.745 1.00 30.31 H new ATOM 0 HB3 LEU A 113 -7.329 4.044 -4.413 1.00 30.31 H new ATOM 0 HG LEU A 113 -5.708 4.858 -5.902 1.00 62.31 H new ATOM 0 HD11 LEU A 113 -3.943 3.477 -6.921 1.00 41.02 H new ATOM 0 HD12 LEU A 113 -3.818 3.507 -5.146 1.00 41.02 H new ATOM 0 HD13 LEU A 113 -4.492 2.079 -5.966 1.00 41.02 H new ATOM 0 HD21 LEU A 113 -6.139 3.665 -8.021 1.00 71.11 H new ATOM 0 HD22 LEU A 113 -6.777 2.280 -7.104 1.00 71.11 H new ATOM 0 HD23 LEU A 113 -7.621 3.846 -7.053 1.00 71.11 H new ATOM 1777 N VAL A 114 -3.563 4.601 -3.167 1.00 35.21 N ATOM 1778 CA VAL A 114 -2.757 5.803 -3.008 1.00 10.51 C ATOM 1779 C VAL A 114 -2.125 6.222 -4.331 1.00 42.30 C ATOM 1780 O VAL A 114 -2.013 5.420 -5.258 1.00 14.12 O ATOM 1781 CB VAL A 114 -1.645 5.596 -1.962 1.00 0.44 C ATOM 1782 CG1 VAL A 114 -1.025 6.927 -1.573 1.00 51.21 C ATOM 1783 CG2 VAL A 114 -2.186 4.874 -0.737 1.00 44.45 C ATOM 0 H VAL A 114 -3.023 3.740 -3.254 1.00 35.21 H new ATOM 0 HA VAL A 114 -3.427 6.591 -2.665 1.00 10.51 H new ATOM 0 HB VAL A 114 -0.868 4.974 -2.406 1.00 0.44 H new ATOM 0 HG11 VAL A 114 -0.242 6.761 -0.833 1.00 51.21 H new ATOM 0 HG12 VAL A 114 -0.596 7.400 -2.456 1.00 51.21 H new ATOM 0 HG13 VAL A 114 -1.792 7.576 -1.150 1.00 51.21 H new ATOM 0 HG21 VAL A 114 -1.384 4.738 -0.011 1.00 44.45 H new ATOM 0 HG22 VAL A 114 -2.985 5.465 -0.289 1.00 44.45 H new ATOM 0 HG23 VAL A 114 -2.577 3.900 -1.032 1.00 44.45 H new ATOM 1793 N GLY A 115 -1.713 7.483 -4.410 1.00 54.15 N ATOM 1794 CA GLY A 115 -1.096 7.989 -5.623 1.00 41.21 C ATOM 1795 C GLY A 115 0.241 8.654 -5.360 1.00 73.02 C ATOM 1796 O GLY A 115 0.327 9.880 -5.284 1.00 22.43 O ATOM 0 H GLY A 115 -1.795 8.164 -3.655 1.00 54.15 H new ATOM 0 HA2 GLY A 115 -0.958 7.168 -6.326 1.00 41.21 H new ATOM 0 HA3 GLY A 115 -1.767 8.705 -6.097 1.00 41.21 H new ATOM 1800 N ASN A 116 1.285 7.845 -5.219 1.00 50.12 N ATOM 1801 CA ASN A 116 2.624 8.361 -4.960 1.00 71.41 C ATOM 1802 C ASN A 116 3.085 9.278 -6.090 1.00 4.02 C ATOM 1803 O ASN A 116 2.427 9.386 -7.124 1.00 4.14 O ATOM 1804 CB ASN A 116 3.613 7.207 -4.791 1.00 2.40 C ATOM 1805 CG ASN A 116 4.732 7.540 -3.824 1.00 65.25 C ATOM 1806 OD1 ASN A 116 4.882 8.686 -3.401 1.00 43.21 O ATOM 1807 ND2 ASN A 116 5.527 6.537 -3.470 1.00 3.11 N ATOM 0 H ASN A 116 1.230 6.828 -5.280 1.00 50.12 H new ATOM 0 HA ASN A 116 2.589 8.941 -4.038 1.00 71.41 H new ATOM 0 HB2 ASN A 116 3.080 6.325 -4.436 1.00 2.40 H new ATOM 0 HB3 ASN A 116 4.039 6.953 -5.761 1.00 2.40 H new ATOM 0 HD21 ASN A 116 6.298 6.701 -2.823 1.00 3.11 H new ATOM 0 HD22 ASN A 116 5.366 5.602 -3.845 1.00 3.11 H new ATOM 1814 N LYS A 117 4.222 9.936 -5.882 1.00 61.12 N ATOM 1815 CA LYS A 117 4.778 10.844 -6.880 1.00 72.00 C ATOM 1816 C LYS A 117 3.832 12.013 -7.144 1.00 2.53 C ATOM 1817 O LYS A 117 3.332 12.184 -8.256 1.00 34.13 O ATOM 1818 CB LYS A 117 5.063 10.091 -8.182 1.00 43.31 C ATOM 1819 CG LYS A 117 6.075 8.967 -8.024 1.00 42.14 C ATOM 1820 CD LYS A 117 7.199 9.073 -9.043 1.00 13.11 C ATOM 1821 CE LYS A 117 7.935 10.399 -8.927 1.00 33.05 C ATOM 1822 NZ LYS A 117 9.291 10.337 -9.539 1.00 11.20 N ATOM 0 H LYS A 117 4.777 9.857 -5.030 1.00 61.12 H new ATOM 0 HA LYS A 117 5.714 11.244 -6.490 1.00 72.00 H new ATOM 0 HB2 LYS A 117 4.130 9.678 -8.565 1.00 43.31 H new ATOM 0 HB3 LYS A 117 5.429 10.797 -8.928 1.00 43.31 H new ATOM 0 HG2 LYS A 117 6.493 8.993 -7.018 1.00 42.14 H new ATOM 0 HG3 LYS A 117 5.572 8.006 -8.136 1.00 42.14 H new ATOM 0 HD2 LYS A 117 7.901 8.252 -8.898 1.00 13.11 H new ATOM 0 HD3 LYS A 117 6.791 8.969 -10.048 1.00 13.11 H new ATOM 0 HE2 LYS A 117 7.353 11.181 -9.414 1.00 33.05 H new ATOM 0 HE3 LYS A 117 8.023 10.674 -7.876 1.00 33.05 H new ATOM 0 HZ1 LYS A 117 9.759 11.260 -9.439 1.00 11.20 H new ATOM 0 HZ2 LYS A 117 9.856 9.608 -9.058 1.00 11.20 H new ATOM 0 HZ3 LYS A 117 9.206 10.099 -10.548 1.00 11.20 H new ATOM 1836 N CYS A 118 3.592 12.815 -6.112 1.00 32.11 N ATOM 1837 CA CYS A 118 2.708 13.970 -6.227 1.00 51.31 C ATOM 1838 C CYS A 118 3.491 15.279 -6.131 1.00 1.13 C ATOM 1839 O CYS A 118 3.031 16.321 -6.599 1.00 72.23 O ATOM 1840 CB CYS A 118 1.635 13.925 -5.136 1.00 11.12 C ATOM 1841 SG CYS A 118 -0.004 14.449 -5.692 1.00 74.43 S ATOM 0 H CYS A 118 3.998 12.686 -5.185 1.00 32.11 H new ATOM 0 HA CYS A 118 2.230 13.929 -7.206 1.00 51.31 H new ATOM 0 HB2 CYS A 118 1.568 12.908 -4.749 1.00 11.12 H new ATOM 0 HB3 CYS A 118 1.947 14.561 -4.308 1.00 11.12 H new ATOM 0 HG CYS A 118 -0.843 14.375 -4.701 1.00 74.43 H new ATOM 1847 N ASP A 119 4.673 15.221 -5.521 1.00 4.04 N ATOM 1848 CA ASP A 119 5.515 16.403 -5.364 1.00 24.23 C ATOM 1849 C ASP A 119 5.760 17.088 -6.707 1.00 34.23 C ATOM 1850 O ASP A 119 5.243 18.174 -6.965 1.00 15.34 O ATOM 1851 CB ASP A 119 6.851 16.018 -4.724 1.00 41.34 C ATOM 1852 CG ASP A 119 7.767 17.212 -4.529 1.00 54.43 C ATOM 1853 OD1 ASP A 119 7.250 18.330 -4.323 1.00 0.01 O ATOM 1854 OD2 ASP A 119 9.001 17.027 -4.582 1.00 2.25 O ATOM 0 H ASP A 119 5.069 14.367 -5.127 1.00 4.04 H new ATOM 0 HA ASP A 119 4.993 17.104 -4.713 1.00 24.23 H new ATOM 0 HB2 ASP A 119 6.665 15.545 -3.760 1.00 41.34 H new ATOM 0 HB3 ASP A 119 7.351 15.279 -5.350 1.00 41.34 H new ATOM 1859 N LEU A 120 6.558 16.445 -7.555 1.00 61.31 N ATOM 1860 CA LEU A 120 6.880 16.992 -8.872 1.00 73.04 C ATOM 1861 C LEU A 120 5.622 17.460 -9.603 1.00 33.42 C ATOM 1862 O LEU A 120 4.503 17.226 -9.146 1.00 5.50 O ATOM 1863 CB LEU A 120 7.625 15.955 -9.726 1.00 3.14 C ATOM 1864 CG LEU A 120 7.060 14.524 -9.711 1.00 2.31 C ATOM 1865 CD1 LEU A 120 7.679 13.710 -8.583 1.00 34.24 C ATOM 1866 CD2 LEU A 120 5.540 14.530 -9.600 1.00 62.32 C ATOM 0 H LEU A 120 6.994 15.545 -7.355 1.00 61.31 H new ATOM 0 HA LEU A 120 7.528 17.855 -8.717 1.00 73.04 H new ATOM 0 HB2 LEU A 120 7.637 16.307 -10.758 1.00 3.14 H new ATOM 0 HB3 LEU A 120 8.661 15.917 -9.390 1.00 3.14 H new ATOM 0 HG LEU A 120 7.323 14.053 -10.658 1.00 2.31 H new ATOM 0 HD11 LEU A 120 7.265 12.702 -8.592 1.00 34.24 H new ATOM 0 HD12 LEU A 120 8.759 13.660 -8.721 1.00 34.24 H new ATOM 0 HD13 LEU A 120 7.457 14.185 -7.627 1.00 34.24 H new ATOM 0 HD21 LEU A 120 5.172 13.504 -9.592 1.00 62.32 H new ATOM 0 HD22 LEU A 120 5.245 15.029 -8.677 1.00 62.32 H new ATOM 0 HD23 LEU A 120 5.115 15.061 -10.452 1.00 62.32 H new ATOM 1878 N ALA A 121 5.817 18.121 -10.740 1.00 62.14 N ATOM 1879 CA ALA A 121 4.701 18.622 -11.534 1.00 71.35 C ATOM 1880 C ALA A 121 4.668 17.963 -12.910 1.00 5.12 C ATOM 1881 O ALA A 121 4.523 18.637 -13.929 1.00 72.12 O ATOM 1882 CB ALA A 121 4.790 20.135 -11.671 1.00 44.00 C ATOM 0 H ALA A 121 6.737 18.322 -11.132 1.00 62.14 H new ATOM 0 HA ALA A 121 3.775 18.369 -11.018 1.00 71.35 H new ATOM 0 HB1 ALA A 121 3.951 20.496 -12.266 1.00 44.00 H new ATOM 0 HB2 ALA A 121 4.757 20.592 -10.682 1.00 44.00 H new ATOM 0 HB3 ALA A 121 5.725 20.401 -12.163 1.00 44.00 H new ATOM 1888 N ALA A 122 4.802 16.641 -12.930 1.00 64.20 N ATOM 1889 CA ALA A 122 4.787 15.891 -14.180 1.00 50.42 C ATOM 1890 C ALA A 122 3.898 14.657 -14.068 1.00 53.30 C ATOM 1891 O ALA A 122 4.388 13.528 -14.023 1.00 33.33 O ATOM 1892 CB ALA A 122 6.202 15.493 -14.573 1.00 50.51 C ATOM 0 H ALA A 122 4.922 16.067 -12.095 1.00 64.20 H new ATOM 0 HA ALA A 122 4.374 16.534 -14.957 1.00 50.42 H new ATOM 0 HB1 ALA A 122 6.176 14.934 -15.508 1.00 50.51 H new ATOM 0 HB2 ALA A 122 6.809 16.389 -14.703 1.00 50.51 H new ATOM 0 HB3 ALA A 122 6.636 14.871 -13.790 1.00 50.51 H new ATOM 1898 N ARG A 123 2.589 14.879 -14.021 1.00 53.04 N ATOM 1899 CA ARG A 123 1.632 13.784 -13.913 1.00 54.10 C ATOM 1900 C ARG A 123 1.024 13.455 -15.273 1.00 12.23 C ATOM 1901 O ARG A 123 0.818 14.341 -16.103 1.00 54.13 O ATOM 1902 CB ARG A 123 0.525 14.141 -12.917 1.00 62.12 C ATOM 1903 CG ARG A 123 -0.389 15.260 -13.394 1.00 50.14 C ATOM 1904 CD ARG A 123 -1.579 15.442 -12.466 1.00 13.24 C ATOM 1905 NE ARG A 123 -1.165 15.679 -11.085 1.00 1.13 N ATOM 1906 CZ ARG A 123 -0.637 16.823 -10.655 1.00 73.50 C ATOM 1907 NH1 ARG A 123 -0.457 17.836 -11.494 1.00 10.02 N ATOM 1908 NH2 ARG A 123 -0.287 16.954 -9.383 1.00 33.23 N ATOM 0 H ARG A 123 2.167 15.807 -14.056 1.00 53.04 H new ATOM 0 HA ARG A 123 2.165 12.904 -13.552 1.00 54.10 H new ATOM 0 HB2 ARG A 123 -0.075 13.253 -12.720 1.00 62.12 H new ATOM 0 HB3 ARG A 123 0.980 14.434 -11.971 1.00 62.12 H new ATOM 0 HG2 ARG A 123 0.174 16.191 -13.452 1.00 50.14 H new ATOM 0 HG3 ARG A 123 -0.742 15.038 -14.401 1.00 50.14 H new ATOM 0 HD2 ARG A 123 -2.184 16.280 -12.812 1.00 13.24 H new ATOM 0 HD3 ARG A 123 -2.211 14.555 -12.508 1.00 13.24 H new ATOM 0 HE ARG A 123 -1.288 14.924 -10.411 1.00 1.13 H new ATOM 0 HH11 ARG A 123 -0.724 17.740 -12.474 1.00 10.02 H new ATOM 0 HH12 ARG A 123 -0.052 18.710 -11.159 1.00 10.02 H new ATOM 0 HH21 ARG A 123 -0.422 16.179 -8.734 1.00 33.23 H new ATOM 0 HH22 ARG A 123 0.118 17.830 -9.053 1.00 33.23 H new ATOM 1922 N THR A 124 0.737 12.177 -15.493 1.00 52.21 N ATOM 1923 CA THR A 124 0.150 11.729 -16.750 1.00 1.01 C ATOM 1924 C THR A 124 -1.310 11.338 -16.552 1.00 62.41 C ATOM 1925 O THR A 124 -2.186 11.763 -17.305 1.00 74.34 O ATOM 1926 CB THR A 124 0.937 10.544 -17.311 1.00 4.40 C ATOM 1927 OG1 THR A 124 1.045 9.512 -16.347 1.00 42.14 O ATOM 1928 CG2 THR A 124 2.338 10.910 -17.751 1.00 64.10 C ATOM 0 H THR A 124 0.902 11.432 -14.816 1.00 52.21 H new ATOM 0 HA THR A 124 0.196 12.553 -17.462 1.00 1.01 H new ATOM 0 HB THR A 124 0.375 10.212 -18.184 1.00 4.40 H new ATOM 0 HG1 THR A 124 1.890 9.032 -16.475 1.00 42.14 H new ATOM 0 HG21 THR A 124 2.841 10.024 -18.139 1.00 64.10 H new ATOM 0 HG22 THR A 124 2.288 11.669 -18.532 1.00 64.10 H new ATOM 0 HG23 THR A 124 2.896 11.301 -16.900 1.00 64.10 H new ATOM 1936 N VAL A 125 -1.564 10.528 -15.530 1.00 41.31 N ATOM 1937 CA VAL A 125 -2.914 10.080 -15.226 1.00 72.11 C ATOM 1938 C VAL A 125 -3.632 11.084 -14.331 1.00 74.12 C ATOM 1939 O VAL A 125 -3.365 11.165 -13.132 1.00 74.12 O ATOM 1940 CB VAL A 125 -2.899 8.705 -14.533 1.00 61.02 C ATOM 1941 CG1 VAL A 125 -4.314 8.200 -14.314 1.00 33.14 C ATOM 1942 CG2 VAL A 125 -2.089 7.706 -15.347 1.00 14.35 C ATOM 0 H VAL A 125 -0.849 10.169 -14.898 1.00 41.31 H new ATOM 0 HA VAL A 125 -3.448 9.996 -16.173 1.00 72.11 H new ATOM 0 HB VAL A 125 -2.424 8.816 -13.558 1.00 61.02 H new ATOM 0 HG11 VAL A 125 -4.281 7.227 -13.823 1.00 33.14 H new ATOM 0 HG12 VAL A 125 -4.859 8.905 -13.686 1.00 33.14 H new ATOM 0 HG13 VAL A 125 -4.819 8.105 -15.275 1.00 33.14 H new ATOM 0 HG21 VAL A 125 -2.089 6.740 -14.842 1.00 14.35 H new ATOM 0 HG22 VAL A 125 -2.533 7.598 -16.337 1.00 14.35 H new ATOM 0 HG23 VAL A 125 -1.064 8.063 -15.446 1.00 14.35 H new ATOM 1952 N GLU A 126 -4.543 11.851 -14.922 1.00 20.12 N ATOM 1953 CA GLU A 126 -5.300 12.855 -14.180 1.00 44.33 C ATOM 1954 C GLU A 126 -5.987 12.237 -12.965 1.00 43.12 C ATOM 1955 O GLU A 126 -6.150 11.020 -12.883 1.00 35.33 O ATOM 1956 CB GLU A 126 -6.340 13.515 -15.087 1.00 45.54 C ATOM 1957 CG GLU A 126 -7.085 12.532 -15.975 1.00 71.32 C ATOM 1958 CD GLU A 126 -8.343 13.125 -16.578 1.00 55.33 C ATOM 1959 OE1 GLU A 126 -8.522 14.358 -16.489 1.00 43.22 O ATOM 1960 OE2 GLU A 126 -9.152 12.356 -17.140 1.00 70.31 O ATOM 0 H GLU A 126 -4.776 11.797 -15.914 1.00 20.12 H new ATOM 0 HA GLU A 126 -4.599 13.613 -13.830 1.00 44.33 H new ATOM 0 HB2 GLU A 126 -7.060 14.052 -14.469 1.00 45.54 H new ATOM 0 HB3 GLU A 126 -5.844 14.255 -15.715 1.00 45.54 H new ATOM 0 HG2 GLU A 126 -6.425 12.200 -16.776 1.00 71.32 H new ATOM 0 HG3 GLU A 126 -7.348 11.649 -15.392 1.00 71.32 H new ATOM 1967 N SER A 127 -6.386 13.086 -12.024 1.00 73.12 N ATOM 1968 CA SER A 127 -7.055 12.626 -10.812 1.00 2.25 C ATOM 1969 C SER A 127 -8.400 11.986 -11.142 1.00 71.05 C ATOM 1970 O SER A 127 -8.801 11.003 -10.518 1.00 74.31 O ATOM 1971 CB SER A 127 -7.253 13.793 -9.841 1.00 23.03 C ATOM 1972 OG SER A 127 -6.339 13.717 -8.760 1.00 64.12 O ATOM 0 H SER A 127 -6.258 14.097 -12.077 1.00 73.12 H new ATOM 0 HA SER A 127 -6.423 11.873 -10.340 1.00 2.25 H new ATOM 0 HB2 SER A 127 -7.119 14.737 -10.369 1.00 23.03 H new ATOM 0 HB3 SER A 127 -8.274 13.784 -9.460 1.00 23.03 H new ATOM 0 HG SER A 127 -6.484 14.474 -8.155 1.00 64.12 H new ATOM 1978 N ARG A 128 -9.093 12.550 -12.127 1.00 5.25 N ATOM 1979 CA ARG A 128 -10.393 12.034 -12.541 1.00 12.24 C ATOM 1980 C ARG A 128 -10.293 10.565 -12.942 1.00 62.44 C ATOM 1981 O ARG A 128 -11.084 9.734 -12.497 1.00 10.35 O ATOM 1982 CB ARG A 128 -10.942 12.863 -13.708 1.00 34.42 C ATOM 1983 CG ARG A 128 -12.213 12.295 -14.322 1.00 71.12 C ATOM 1984 CD ARG A 128 -13.331 12.190 -13.298 1.00 51.30 C ATOM 1985 NE ARG A 128 -14.650 12.247 -13.923 1.00 60.21 N ATOM 1986 CZ ARG A 128 -15.795 12.177 -13.248 1.00 51.21 C ATOM 1987 NH1 ARG A 128 -15.787 12.046 -11.927 1.00 20.35 N ATOM 1988 NH2 ARG A 128 -16.951 12.237 -13.895 1.00 63.31 N ATOM 0 H ARG A 128 -8.776 13.364 -12.653 1.00 5.25 H new ATOM 0 HA ARG A 128 -11.077 12.112 -11.696 1.00 12.24 H new ATOM 0 HB2 ARG A 128 -11.140 13.877 -13.360 1.00 34.42 H new ATOM 0 HB3 ARG A 128 -10.177 12.935 -14.481 1.00 34.42 H new ATOM 0 HG2 ARG A 128 -12.534 12.930 -15.148 1.00 71.12 H new ATOM 0 HG3 ARG A 128 -12.007 11.309 -14.739 1.00 71.12 H new ATOM 0 HD2 ARG A 128 -13.231 11.255 -12.746 1.00 51.30 H new ATOM 0 HD3 ARG A 128 -13.237 12.999 -12.574 1.00 51.30 H new ATOM 0 HE ARG A 128 -14.696 12.346 -14.937 1.00 60.21 H new ATOM 0 HH11 ARG A 128 -14.901 11.999 -11.425 1.00 20.35 H new ATOM 0 HH12 ARG A 128 -16.667 11.993 -11.414 1.00 20.35 H new ATOM 0 HH21 ARG A 128 -16.963 12.337 -14.910 1.00 63.31 H new ATOM 0 HH22 ARG A 128 -17.828 12.183 -13.378 1.00 63.31 H new ATOM 2002 N GLN A 129 -9.315 10.253 -13.786 1.00 63.23 N ATOM 2003 CA GLN A 129 -9.110 8.885 -14.247 1.00 24.14 C ATOM 2004 C GLN A 129 -8.831 7.951 -13.074 1.00 4.25 C ATOM 2005 O GLN A 129 -9.376 6.850 -13.002 1.00 33.10 O ATOM 2006 CB GLN A 129 -7.953 8.830 -15.246 1.00 53.20 C ATOM 2007 CG GLN A 129 -8.022 7.642 -16.191 1.00 44.12 C ATOM 2008 CD GLN A 129 -7.096 7.791 -17.383 1.00 23.23 C ATOM 2009 OE1 GLN A 129 -5.909 7.204 -17.286 1.00 51.41 O flip ATOM 2010 NE2 GLN A 129 -7.444 8.425 -18.378 1.00 61.22 N flip ATOM 0 H GLN A 129 -8.652 10.929 -14.165 1.00 63.23 H new ATOM 0 HA GLN A 129 -10.023 8.554 -14.741 1.00 24.14 H new ATOM 0 HB2 GLN A 129 -7.945 9.749 -15.831 1.00 53.20 H new ATOM 0 HB3 GLN A 129 -7.012 8.793 -14.698 1.00 53.20 H new ATOM 0 HG2 GLN A 129 -7.764 6.734 -15.646 1.00 44.12 H new ATOM 0 HG3 GLN A 129 -9.046 7.522 -16.544 1.00 44.12 H new ATOM 0 HE21 GLN A 129 -8.366 8.860 -18.409 1.00 61.22 H new ATOM 0 HE22 GLN A 129 -6.810 8.516 -19.172 1.00 61.22 H new ATOM 2019 N ALA A 130 -7.980 8.398 -12.157 1.00 53.53 N ATOM 2020 CA ALA A 130 -7.630 7.602 -10.988 1.00 10.54 C ATOM 2021 C ALA A 130 -8.835 7.412 -10.073 1.00 21.23 C ATOM 2022 O ALA A 130 -9.008 6.352 -9.471 1.00 10.25 O ATOM 2023 CB ALA A 130 -6.485 8.255 -10.228 1.00 42.54 C ATOM 0 H ALA A 130 -7.520 9.307 -12.201 1.00 53.53 H new ATOM 0 HA ALA A 130 -7.309 6.619 -11.331 1.00 10.54 H new ATOM 0 HB1 ALA A 130 -6.234 7.649 -9.357 1.00 42.54 H new ATOM 0 HB2 ALA A 130 -5.614 8.333 -10.879 1.00 42.54 H new ATOM 0 HB3 ALA A 130 -6.785 9.251 -9.903 1.00 42.54 H new ATOM 2029 N GLN A 131 -9.666 8.444 -9.976 1.00 64.05 N ATOM 2030 CA GLN A 131 -10.857 8.390 -9.135 1.00 73.44 C ATOM 2031 C GLN A 131 -11.947 7.551 -9.794 1.00 70.05 C ATOM 2032 O GLN A 131 -12.750 6.913 -9.112 1.00 62.45 O ATOM 2033 CB GLN A 131 -11.377 9.802 -8.860 1.00 31.42 C ATOM 2034 CG GLN A 131 -10.864 10.396 -7.558 1.00 12.15 C ATOM 2035 CD GLN A 131 -11.983 10.776 -6.607 1.00 14.03 C ATOM 2036 OE1 GLN A 131 -12.385 11.937 -6.536 1.00 23.34 O ATOM 2037 NE2 GLN A 131 -12.491 9.796 -5.870 1.00 53.13 N ATOM 0 H GLN A 131 -9.537 9.328 -10.469 1.00 64.05 H new ATOM 0 HA GLN A 131 -10.585 7.922 -8.189 1.00 73.44 H new ATOM 0 HB2 GLN A 131 -11.089 10.453 -9.685 1.00 31.42 H new ATOM 0 HB3 GLN A 131 -12.467 9.781 -8.836 1.00 31.42 H new ATOM 0 HG2 GLN A 131 -10.206 9.677 -7.070 1.00 12.15 H new ATOM 0 HG3 GLN A 131 -10.264 11.279 -7.778 1.00 12.15 H new ATOM 0 HE21 GLN A 131 -12.127 8.848 -5.962 1.00 53.13 H new ATOM 0 HE22 GLN A 131 -13.246 9.991 -5.212 1.00 53.13 H new ATOM 2046 N ASP A 132 -11.970 7.556 -11.123 1.00 3.52 N ATOM 2047 CA ASP A 132 -12.962 6.795 -11.873 1.00 25.04 C ATOM 2048 C ASP A 132 -12.864 5.307 -11.550 1.00 33.34 C ATOM 2049 O ASP A 132 -13.873 4.602 -11.511 1.00 52.43 O ATOM 2050 CB ASP A 132 -12.775 7.015 -13.375 1.00 51.52 C ATOM 2051 CG ASP A 132 -14.053 6.780 -14.158 1.00 32.40 C ATOM 2052 OD1 ASP A 132 -15.144 6.889 -13.560 1.00 44.10 O ATOM 2053 OD2 ASP A 132 -13.962 6.488 -15.369 1.00 41.11 O ATOM 0 H ASP A 132 -11.313 8.079 -11.702 1.00 3.52 H new ATOM 0 HA ASP A 132 -13.951 7.148 -11.581 1.00 25.04 H new ATOM 0 HB2 ASP A 132 -12.427 8.033 -13.550 1.00 51.52 H new ATOM 0 HB3 ASP A 132 -11.998 6.345 -13.744 1.00 51.52 H new ATOM 2058 N LEU A 133 -11.643 4.837 -11.318 1.00 53.13 N ATOM 2059 CA LEU A 133 -11.413 3.434 -10.997 1.00 21.21 C ATOM 2060 C LEU A 133 -11.691 3.161 -9.523 1.00 75.14 C ATOM 2061 O LEU A 133 -12.436 2.242 -9.181 1.00 42.44 O ATOM 2062 CB LEU A 133 -9.973 3.041 -11.338 1.00 54.24 C ATOM 2063 CG LEU A 133 -9.576 1.621 -10.931 1.00 11.41 C ATOM 2064 CD1 LEU A 133 -10.413 0.596 -11.680 1.00 45.42 C ATOM 2065 CD2 LEU A 133 -8.093 1.391 -11.182 1.00 45.22 C ATOM 0 H LEU A 133 -10.798 5.407 -11.346 1.00 53.13 H new ATOM 0 HA LEU A 133 -12.098 2.833 -11.595 1.00 21.21 H new ATOM 0 HB2 LEU A 133 -9.828 3.148 -12.413 1.00 54.24 H new ATOM 0 HB3 LEU A 133 -9.296 3.744 -10.853 1.00 54.24 H new ATOM 0 HG LEU A 133 -9.766 1.502 -9.864 1.00 11.41 H new ATOM 0 HD11 LEU A 133 -10.116 -0.408 -11.377 1.00 45.42 H new ATOM 0 HD12 LEU A 133 -11.467 0.748 -11.448 1.00 45.42 H new ATOM 0 HD13 LEU A 133 -10.257 0.712 -12.752 1.00 45.42 H new ATOM 0 HD21 LEU A 133 -7.827 0.376 -10.887 1.00 45.22 H new ATOM 0 HD22 LEU A 133 -7.878 1.529 -12.242 1.00 45.22 H new ATOM 0 HD23 LEU A 133 -7.510 2.103 -10.597 1.00 45.22 H new ATOM 2077 N ALA A 134 -11.087 3.964 -8.653 1.00 24.34 N ATOM 2078 CA ALA A 134 -11.269 3.808 -7.215 1.00 44.03 C ATOM 2079 C ALA A 134 -12.742 3.907 -6.833 1.00 22.11 C ATOM 2080 O ALA A 134 -13.224 3.158 -5.984 1.00 72.33 O ATOM 2081 CB ALA A 134 -10.457 4.853 -6.465 1.00 72.22 C ATOM 0 H ALA A 134 -10.467 4.729 -8.919 1.00 24.34 H new ATOM 0 HA ALA A 134 -10.914 2.816 -6.935 1.00 44.03 H new ATOM 0 HB1 ALA A 134 -10.602 4.725 -5.392 1.00 72.22 H new ATOM 0 HB2 ALA A 134 -9.400 4.734 -6.705 1.00 72.22 H new ATOM 0 HB3 ALA A 134 -10.786 5.850 -6.759 1.00 72.22 H new ATOM 2087 N ARG A 135 -13.452 4.834 -7.468 1.00 23.11 N ATOM 2088 CA ARG A 135 -14.871 5.029 -7.195 1.00 55.54 C ATOM 2089 C ARG A 135 -15.664 3.767 -7.519 1.00 34.51 C ATOM 2090 O ARG A 135 -16.673 3.474 -6.878 1.00 43.42 O ATOM 2091 CB ARG A 135 -15.412 6.208 -8.007 1.00 31.44 C ATOM 2092 CG ARG A 135 -16.889 6.482 -7.772 1.00 33.14 C ATOM 2093 CD ARG A 135 -17.217 7.957 -7.941 1.00 74.33 C ATOM 2094 NE ARG A 135 -18.476 8.158 -8.655 1.00 14.12 N ATOM 2095 CZ ARG A 135 -18.601 8.070 -9.977 1.00 25.43 C ATOM 2096 NH1 ARG A 135 -17.547 7.785 -10.733 1.00 74.21 N ATOM 2097 NH2 ARG A 135 -19.783 8.267 -10.546 1.00 31.33 N ATOM 0 H ARG A 135 -13.068 5.461 -8.175 1.00 23.11 H new ATOM 0 HA ARG A 135 -14.985 5.247 -6.133 1.00 55.54 H new ATOM 0 HB2 ARG A 135 -14.841 7.102 -7.758 1.00 31.44 H new ATOM 0 HB3 ARG A 135 -15.251 6.012 -9.067 1.00 31.44 H new ATOM 0 HG2 ARG A 135 -17.485 5.894 -8.470 1.00 33.14 H new ATOM 0 HG3 ARG A 135 -17.164 6.160 -6.768 1.00 33.14 H new ATOM 0 HD2 ARG A 135 -17.276 8.430 -6.961 1.00 74.33 H new ATOM 0 HD3 ARG A 135 -16.410 8.448 -8.484 1.00 74.33 H new ATOM 0 HE ARG A 135 -19.308 8.379 -8.108 1.00 14.12 H new ATOM 0 HH11 ARG A 135 -16.636 7.632 -10.301 1.00 74.21 H new ATOM 0 HH12 ARG A 135 -17.649 7.719 -11.746 1.00 74.21 H new ATOM 0 HH21 ARG A 135 -20.596 8.486 -9.970 1.00 31.33 H new ATOM 0 HH22 ARG A 135 -19.879 8.200 -11.559 1.00 31.33 H new ATOM 2111 N SER A 136 -15.199 3.021 -8.517 1.00 41.22 N ATOM 2112 CA SER A 136 -15.864 1.789 -8.924 1.00 51.51 C ATOM 2113 C SER A 136 -15.632 0.688 -7.894 1.00 12.31 C ATOM 2114 O SER A 136 -16.526 -0.109 -7.609 1.00 12.21 O ATOM 2115 CB SER A 136 -15.357 1.342 -10.297 1.00 50.41 C ATOM 2116 OG SER A 136 -15.539 -0.052 -10.485 1.00 71.24 O ATOM 0 H SER A 136 -14.365 3.249 -9.058 1.00 41.22 H new ATOM 0 HA SER A 136 -16.935 1.981 -8.989 1.00 51.51 H new ATOM 0 HB2 SER A 136 -15.886 1.888 -11.078 1.00 50.41 H new ATOM 0 HB3 SER A 136 -14.300 1.589 -10.395 1.00 50.41 H new ATOM 0 HG SER A 136 -15.208 -0.309 -11.371 1.00 71.24 H new ATOM 2122 N TYR A 137 -14.425 0.652 -7.339 1.00 22.51 N ATOM 2123 CA TYR A 137 -14.072 -0.348 -6.339 1.00 4.23 C ATOM 2124 C TYR A 137 -14.792 -0.080 -5.021 1.00 14.41 C ATOM 2125 O TYR A 137 -15.001 -0.992 -4.221 1.00 2.23 O ATOM 2126 CB TYR A 137 -12.559 -0.357 -6.112 1.00 75.40 C ATOM 2127 CG TYR A 137 -11.771 -0.912 -7.277 1.00 54.20 C ATOM 2128 CD1 TYR A 137 -12.204 -2.043 -7.959 1.00 24.52 C ATOM 2129 CD2 TYR A 137 -10.593 -0.305 -7.694 1.00 52.30 C ATOM 2130 CE1 TYR A 137 -11.485 -2.553 -9.023 1.00 4.11 C ATOM 2131 CE2 TYR A 137 -9.869 -0.809 -8.757 1.00 13.53 C ATOM 2132 CZ TYR A 137 -10.319 -1.933 -9.419 1.00 62.10 C ATOM 2133 OH TYR A 137 -9.600 -2.441 -10.478 1.00 54.12 O ATOM 0 H TYR A 137 -13.675 1.305 -7.565 1.00 22.51 H new ATOM 0 HA TYR A 137 -14.385 -1.324 -6.711 1.00 4.23 H new ATOM 0 HB2 TYR A 137 -12.225 0.661 -5.911 1.00 75.40 H new ATOM 0 HB3 TYR A 137 -12.338 -0.946 -5.222 1.00 75.40 H new ATOM 0 HD1 TYR A 137 -13.117 -2.531 -7.652 1.00 24.52 H new ATOM 0 HD2 TYR A 137 -10.238 0.575 -7.179 1.00 52.30 H new ATOM 0 HE1 TYR A 137 -11.835 -3.433 -9.542 1.00 4.11 H new ATOM 0 HE2 TYR A 137 -8.955 -0.326 -9.069 1.00 13.53 H new ATOM 0 HH TYR A 137 -9.475 -3.405 -10.356 1.00 54.12 H new ATOM 2143 N GLY A 138 -15.165 1.176 -4.798 1.00 42.23 N ATOM 2144 CA GLY A 138 -15.853 1.539 -3.573 1.00 23.21 C ATOM 2145 C GLY A 138 -14.894 1.839 -2.436 1.00 40.42 C ATOM 2146 O GLY A 138 -15.290 1.859 -1.271 1.00 33.35 O ATOM 0 H GLY A 138 -15.003 1.949 -5.444 1.00 42.23 H new ATOM 0 HA2 GLY A 138 -16.479 2.412 -3.756 1.00 23.21 H new ATOM 0 HA3 GLY A 138 -16.518 0.727 -3.279 1.00 23.21 H new ATOM 2150 N ILE A 139 -13.629 2.073 -2.774 1.00 32.53 N ATOM 2151 CA ILE A 139 -12.612 2.372 -1.774 1.00 20.44 C ATOM 2152 C ILE A 139 -12.132 3.816 -1.885 1.00 32.30 C ATOM 2153 O ILE A 139 -12.251 4.439 -2.940 1.00 51.14 O ATOM 2154 CB ILE A 139 -11.405 1.433 -1.900 1.00 73.45 C ATOM 2155 CG1 ILE A 139 -11.048 1.221 -3.364 1.00 2.13 C ATOM 2156 CG2 ILE A 139 -11.696 0.104 -1.220 1.00 32.30 C ATOM 2157 CD1 ILE A 139 -9.710 0.561 -3.546 1.00 73.42 C ATOM 0 H ILE A 139 -13.285 2.061 -3.734 1.00 32.53 H new ATOM 0 HA ILE A 139 -13.079 2.222 -0.800 1.00 20.44 H new ATOM 0 HB ILE A 139 -10.551 1.894 -1.403 1.00 73.45 H new ATOM 0 HG12 ILE A 139 -11.817 0.610 -3.836 1.00 2.13 H new ATOM 0 HG13 ILE A 139 -11.046 2.183 -3.876 1.00 2.13 H new ATOM 0 HG21 ILE A 139 -10.831 -0.552 -1.318 1.00 32.30 H new ATOM 0 HG22 ILE A 139 -11.905 0.274 -0.164 1.00 32.30 H new ATOM 0 HG23 ILE A 139 -12.561 -0.364 -1.691 1.00 32.30 H new ATOM 0 HD11 ILE A 139 -9.508 0.435 -4.610 1.00 73.42 H new ATOM 0 HD12 ILE A 139 -8.934 1.183 -3.100 1.00 73.42 H new ATOM 0 HD13 ILE A 139 -9.716 -0.415 -3.060 1.00 73.42 H new ATOM 2169 N PRO A 140 -11.578 4.368 -0.792 1.00 41.41 N ATOM 2170 CA PRO A 140 -11.077 5.746 -0.771 1.00 22.25 C ATOM 2171 C PRO A 140 -9.820 5.917 -1.617 1.00 4.34 C ATOM 2172 O PRO A 140 -9.084 4.959 -1.852 1.00 44.44 O ATOM 2173 CB PRO A 140 -10.765 5.990 0.707 1.00 75.43 C ATOM 2174 CG PRO A 140 -10.504 4.635 1.267 1.00 35.33 C ATOM 2175 CD PRO A 140 -11.397 3.694 0.508 1.00 22.34 C ATOM 0 HA PRO A 140 -11.799 6.448 -1.188 1.00 22.25 H new ATOM 0 HB2 PRO A 140 -9.899 6.641 0.827 1.00 75.43 H new ATOM 0 HB3 PRO A 140 -11.600 6.474 1.213 1.00 75.43 H new ATOM 0 HG2 PRO A 140 -9.456 4.359 1.149 1.00 35.33 H new ATOM 0 HG3 PRO A 140 -10.723 4.605 2.334 1.00 35.33 H new ATOM 0 HD2 PRO A 140 -10.939 2.712 0.391 1.00 22.34 H new ATOM 0 HD3 PRO A 140 -12.348 3.543 1.018 1.00 22.34 H new ATOM 2183 N TYR A 141 -9.579 7.143 -2.071 1.00 0.22 N ATOM 2184 CA TYR A 141 -8.408 7.438 -2.890 1.00 65.20 C ATOM 2185 C TYR A 141 -7.612 8.602 -2.306 1.00 41.20 C ATOM 2186 O TYR A 141 -8.149 9.689 -2.089 1.00 20.10 O ATOM 2187 CB TYR A 141 -8.831 7.761 -4.327 1.00 12.33 C ATOM 2188 CG TYR A 141 -7.701 8.278 -5.190 1.00 35.20 C ATOM 2189 CD1 TYR A 141 -6.569 7.507 -5.419 1.00 21.44 C ATOM 2190 CD2 TYR A 141 -7.766 9.538 -5.770 1.00 22.31 C ATOM 2191 CE1 TYR A 141 -5.532 7.977 -6.201 1.00 72.34 C ATOM 2192 CE2 TYR A 141 -6.733 10.016 -6.554 1.00 3.40 C ATOM 2193 CZ TYR A 141 -5.619 9.232 -6.766 1.00 61.41 C ATOM 2194 OH TYR A 141 -4.589 9.706 -7.546 1.00 30.52 O ATOM 0 H TYR A 141 -10.178 7.947 -1.886 1.00 0.22 H new ATOM 0 HA TYR A 141 -7.770 6.554 -2.897 1.00 65.20 H new ATOM 0 HB2 TYR A 141 -9.245 6.863 -4.785 1.00 12.33 H new ATOM 0 HB3 TYR A 141 -9.628 8.504 -4.304 1.00 12.33 H new ATOM 0 HD1 TYR A 141 -6.498 6.524 -4.978 1.00 21.44 H new ATOM 0 HD2 TYR A 141 -8.638 10.154 -5.606 1.00 22.31 H new ATOM 0 HE1 TYR A 141 -4.658 7.365 -6.369 1.00 72.34 H new ATOM 0 HE2 TYR A 141 -6.798 10.998 -6.998 1.00 3.40 H new ATOM 0 HH TYR A 141 -4.478 10.668 -7.392 1.00 30.52 H new ATOM 2204 N ILE A 142 -6.329 8.364 -2.053 1.00 10.42 N ATOM 2205 CA ILE A 142 -5.456 9.384 -1.494 1.00 74.42 C ATOM 2206 C ILE A 142 -4.200 9.555 -2.345 1.00 32.12 C ATOM 2207 O ILE A 142 -3.882 8.705 -3.176 1.00 42.42 O ATOM 2208 CB ILE A 142 -5.043 9.041 -0.046 1.00 74.33 C ATOM 2209 CG1 ILE A 142 -5.956 7.954 0.537 1.00 2.12 C ATOM 2210 CG2 ILE A 142 -5.083 10.290 0.814 1.00 75.24 C ATOM 2211 CD1 ILE A 142 -5.781 7.741 2.025 1.00 50.02 C ATOM 0 H ILE A 142 -5.872 7.469 -2.228 1.00 10.42 H new ATOM 0 HA ILE A 142 -6.019 10.317 -1.489 1.00 74.42 H new ATOM 0 HB ILE A 142 -4.024 8.654 -0.057 1.00 74.33 H new ATOM 0 HG12 ILE A 142 -6.994 8.219 0.337 1.00 2.12 H new ATOM 0 HG13 ILE A 142 -5.762 7.014 0.020 1.00 2.12 H new ATOM 0 HG21 ILE A 142 -4.790 10.039 1.834 1.00 75.24 H new ATOM 0 HG22 ILE A 142 -4.394 11.032 0.411 1.00 75.24 H new ATOM 0 HG23 ILE A 142 -6.094 10.698 0.817 1.00 75.24 H new ATOM 0 HD11 ILE A 142 -6.460 6.958 2.363 1.00 50.02 H new ATOM 0 HD12 ILE A 142 -4.753 7.444 2.232 1.00 50.02 H new ATOM 0 HD13 ILE A 142 -6.004 8.668 2.554 1.00 50.02 H new ATOM 2223 N GLU A 143 -3.490 10.658 -2.130 1.00 43.30 N ATOM 2224 CA GLU A 143 -2.268 10.939 -2.876 1.00 74.22 C ATOM 2225 C GLU A 143 -1.144 11.356 -1.933 1.00 71.51 C ATOM 2226 O GLU A 143 -1.365 12.110 -0.985 1.00 64.23 O ATOM 2227 CB GLU A 143 -2.517 12.038 -3.910 1.00 13.51 C ATOM 2228 CG GLU A 143 -3.576 11.676 -4.939 1.00 64.10 C ATOM 2229 CD GLU A 143 -3.863 12.810 -5.904 1.00 74.12 C ATOM 2230 OE1 GLU A 143 -4.407 13.843 -5.461 1.00 53.01 O ATOM 2231 OE2 GLU A 143 -3.542 12.665 -7.103 1.00 55.20 O ATOM 0 H GLU A 143 -3.740 11.372 -1.445 1.00 43.30 H new ATOM 0 HA GLU A 143 -1.968 10.028 -3.393 1.00 74.22 H new ATOM 0 HB2 GLU A 143 -2.820 12.949 -3.394 1.00 13.51 H new ATOM 0 HB3 GLU A 143 -1.582 12.259 -4.425 1.00 13.51 H new ATOM 0 HG2 GLU A 143 -3.248 10.801 -5.500 1.00 64.10 H new ATOM 0 HG3 GLU A 143 -4.497 11.399 -4.425 1.00 64.10 H new ATOM 2238 N THR A 144 0.062 10.860 -2.196 1.00 31.23 N ATOM 2239 CA THR A 144 1.214 11.185 -1.363 1.00 62.24 C ATOM 2240 C THR A 144 2.492 11.258 -2.193 1.00 54.31 C ATOM 2241 O THR A 144 2.466 11.084 -3.412 1.00 41.11 O ATOM 2242 CB THR A 144 1.375 10.145 -0.253 1.00 71.34 C ATOM 2243 OG1 THR A 144 1.893 8.933 -0.772 1.00 22.34 O ATOM 2244 CG2 THR A 144 0.078 9.824 0.457 1.00 31.24 C ATOM 0 H THR A 144 0.266 10.235 -2.976 1.00 31.23 H new ATOM 0 HA THR A 144 1.039 12.164 -0.917 1.00 62.24 H new ATOM 0 HB THR A 144 2.063 10.592 0.465 1.00 71.34 H new ATOM 0 HG1 THR A 144 2.746 8.728 -0.335 1.00 22.34 H new ATOM 0 HG21 THR A 144 0.262 9.080 1.232 1.00 31.24 H new ATOM 0 HG22 THR A 144 -0.322 10.730 0.912 1.00 31.24 H new ATOM 0 HG23 THR A 144 -0.642 9.430 -0.261 1.00 31.24 H new ATOM 2252 N SER A 145 3.609 11.519 -1.521 1.00 63.41 N ATOM 2253 CA SER A 145 4.902 11.618 -2.187 1.00 61.14 C ATOM 2254 C SER A 145 6.018 11.105 -1.282 1.00 34.24 C ATOM 2255 O SER A 145 6.208 11.604 -0.172 1.00 24.34 O ATOM 2256 CB SER A 145 5.181 13.068 -2.588 1.00 13.44 C ATOM 2257 OG SER A 145 4.676 13.971 -1.620 1.00 14.10 O ATOM 0 H SER A 145 3.644 11.666 -0.512 1.00 63.41 H new ATOM 0 HA SER A 145 4.871 10.999 -3.084 1.00 61.14 H new ATOM 0 HB2 SER A 145 6.255 13.217 -2.703 1.00 13.44 H new ATOM 0 HB3 SER A 145 4.725 13.275 -3.556 1.00 13.44 H new ATOM 0 HG SER A 145 4.925 14.887 -1.865 1.00 14.10 H new ATOM 2263 N ALA A 146 6.752 10.106 -1.760 1.00 31.22 N ATOM 2264 CA ALA A 146 7.847 9.526 -0.990 1.00 3.31 C ATOM 2265 C ALA A 146 9.065 10.449 -0.961 1.00 75.34 C ATOM 2266 O ALA A 146 10.026 10.195 -0.234 1.00 63.45 O ATOM 2267 CB ALA A 146 8.227 8.166 -1.557 1.00 21.03 C ATOM 0 H ALA A 146 6.609 9.681 -2.676 1.00 31.22 H new ATOM 0 HA ALA A 146 7.502 9.401 0.036 1.00 3.31 H new ATOM 0 HB1 ALA A 146 9.045 7.744 -0.973 1.00 21.03 H new ATOM 0 HB2 ALA A 146 7.366 7.499 -1.510 1.00 21.03 H new ATOM 0 HB3 ALA A 146 8.542 8.279 -2.594 1.00 21.03 H new ATOM 2273 N LYS A 147 9.024 11.519 -1.752 1.00 64.52 N ATOM 2274 CA LYS A 147 10.129 12.470 -1.806 1.00 5.25 C ATOM 2275 C LYS A 147 9.919 13.608 -0.813 1.00 45.54 C ATOM 2276 O LYS A 147 10.823 13.958 -0.054 1.00 74.43 O ATOM 2277 CB LYS A 147 10.276 13.033 -3.221 1.00 0.01 C ATOM 2278 CG LYS A 147 11.532 13.866 -3.418 1.00 71.53 C ATOM 2279 CD LYS A 147 12.748 12.989 -3.668 1.00 54.31 C ATOM 2280 CE LYS A 147 13.928 13.803 -4.176 1.00 22.13 C ATOM 2281 NZ LYS A 147 14.072 13.710 -5.655 1.00 52.41 N ATOM 0 H LYS A 147 8.239 11.748 -2.362 1.00 64.52 H new ATOM 0 HA LYS A 147 11.043 11.941 -1.535 1.00 5.25 H new ATOM 0 HB2 LYS A 147 10.283 12.207 -3.932 1.00 0.01 H new ATOM 0 HB3 LYS A 147 9.404 13.645 -3.452 1.00 0.01 H new ATOM 0 HG2 LYS A 147 11.392 14.544 -4.260 1.00 71.53 H new ATOM 0 HG3 LYS A 147 11.702 14.484 -2.536 1.00 71.53 H new ATOM 0 HD2 LYS A 147 13.026 12.480 -2.745 1.00 54.31 H new ATOM 0 HD3 LYS A 147 12.497 12.217 -4.395 1.00 54.31 H new ATOM 0 HE2 LYS A 147 13.799 14.847 -3.889 1.00 22.13 H new ATOM 0 HE3 LYS A 147 14.843 13.452 -3.699 1.00 22.13 H new ATOM 0 HZ1 LYS A 147 14.887 14.279 -5.961 1.00 52.41 H new ATOM 0 HZ2 LYS A 147 14.220 12.717 -5.928 1.00 52.41 H new ATOM 0 HZ3 LYS A 147 13.209 14.069 -6.111 1.00 52.41 H new ATOM 2295 N THR A 148 8.720 14.182 -0.822 1.00 22.35 N ATOM 2296 CA THR A 148 8.391 15.281 0.079 1.00 54.35 C ATOM 2297 C THR A 148 7.693 14.772 1.339 1.00 1.31 C ATOM 2298 O THR A 148 7.621 15.478 2.345 1.00 23.01 O ATOM 2299 CB THR A 148 7.499 16.300 -0.632 1.00 43.41 C ATOM 2300 OG1 THR A 148 6.484 15.647 -1.373 1.00 31.31 O ATOM 2301 CG2 THR A 148 8.257 17.198 -1.585 1.00 14.01 C ATOM 0 H THR A 148 7.960 13.904 -1.443 1.00 22.35 H new ATOM 0 HA THR A 148 9.323 15.762 0.374 1.00 54.35 H new ATOM 0 HB THR A 148 7.075 16.915 0.162 1.00 43.41 H new ATOM 0 HG1 THR A 148 6.274 14.787 -0.952 1.00 31.31 H new ATOM 0 HG21 THR A 148 7.565 17.896 -2.055 1.00 14.01 H new ATOM 0 HG22 THR A 148 9.016 17.754 -1.035 1.00 14.01 H new ATOM 0 HG23 THR A 148 8.737 16.591 -2.353 1.00 14.01 H new ATOM 2309 N ARG A 149 7.179 13.546 1.279 1.00 32.20 N ATOM 2310 CA ARG A 149 6.485 12.952 2.416 1.00 44.52 C ATOM 2311 C ARG A 149 5.217 13.733 2.744 1.00 41.43 C ATOM 2312 O ARG A 149 5.071 14.274 3.841 1.00 72.21 O ATOM 2313 CB ARG A 149 7.405 12.905 3.638 1.00 25.25 C ATOM 2314 CG ARG A 149 7.047 11.807 4.627 1.00 14.53 C ATOM 2315 CD ARG A 149 7.595 12.104 6.013 1.00 41.01 C ATOM 2316 NE ARG A 149 6.616 12.786 6.855 1.00 32.43 N ATOM 2317 CZ ARG A 149 6.801 13.045 8.148 1.00 11.13 C ATOM 2318 NH1 ARG A 149 7.926 12.680 8.750 1.00 42.04 N ATOM 2319 NH2 ARG A 149 5.859 13.671 8.840 1.00 22.33 N ATOM 0 H ARG A 149 7.230 12.946 0.456 1.00 32.20 H new ATOM 0 HA ARG A 149 6.204 11.934 2.148 1.00 44.52 H new ATOM 0 HB2 ARG A 149 8.432 12.761 3.304 1.00 25.25 H new ATOM 0 HB3 ARG A 149 7.368 13.868 4.148 1.00 25.25 H new ATOM 0 HG2 ARG A 149 5.963 11.701 4.678 1.00 14.53 H new ATOM 0 HG3 ARG A 149 7.444 10.855 4.274 1.00 14.53 H new ATOM 0 HD2 ARG A 149 7.897 11.172 6.491 1.00 41.01 H new ATOM 0 HD3 ARG A 149 8.489 12.721 5.925 1.00 41.01 H new ATOM 0 HE ARG A 149 5.738 13.082 6.427 1.00 32.43 H new ATOM 0 HH11 ARG A 149 8.654 12.199 8.222 1.00 42.04 H new ATOM 0 HH12 ARG A 149 8.063 12.881 9.741 1.00 42.04 H new ATOM 0 HH21 ARG A 149 4.993 13.954 8.382 1.00 22.33 H new ATOM 0 HH22 ARG A 149 6.001 13.869 9.830 1.00 22.33 H new ATOM 2333 N GLN A 150 4.302 13.790 1.781 1.00 12.41 N ATOM 2334 CA GLN A 150 3.045 14.507 1.960 1.00 43.12 C ATOM 2335 C GLN A 150 1.870 13.535 2.028 1.00 74.13 C ATOM 2336 O GLN A 150 1.652 12.745 1.111 1.00 25.10 O ATOM 2337 CB GLN A 150 2.840 15.502 0.815 1.00 1.32 C ATOM 2338 CG GLN A 150 1.505 16.229 0.863 1.00 70.10 C ATOM 2339 CD GLN A 150 1.640 17.710 0.577 1.00 64.11 C ATOM 2340 OE1 GLN A 150 1.461 18.545 1.463 1.00 2.45 O ATOM 2341 NE2 GLN A 150 1.955 18.041 -0.667 1.00 21.32 N ATOM 0 H GLN A 150 4.408 13.348 0.868 1.00 12.41 H new ATOM 0 HA GLN A 150 3.092 15.053 2.902 1.00 43.12 H new ATOM 0 HB2 GLN A 150 3.644 16.237 0.837 1.00 1.32 H new ATOM 0 HB3 GLN A 150 2.920 14.971 -0.134 1.00 1.32 H new ATOM 0 HG2 GLN A 150 0.826 15.783 0.137 1.00 70.10 H new ATOM 0 HG3 GLN A 150 1.055 16.092 1.846 1.00 70.10 H new ATOM 0 HE21 GLN A 150 2.094 17.314 -1.369 1.00 21.32 H new ATOM 0 HE22 GLN A 150 2.059 19.023 -0.923 1.00 21.32 H new ATOM 2350 N GLY A 151 1.116 13.602 3.120 1.00 53.23 N ATOM 2351 CA GLY A 151 -0.028 12.726 3.288 1.00 74.32 C ATOM 2352 C GLY A 151 0.348 11.256 3.268 1.00 65.32 C ATOM 2353 O GLY A 151 -0.509 10.396 3.067 1.00 22.41 O ATOM 0 H GLY A 151 1.277 14.248 3.892 1.00 53.23 H new ATOM 0 HA2 GLY A 151 -0.521 12.957 4.232 1.00 74.32 H new ATOM 0 HA3 GLY A 151 -0.750 12.922 2.495 1.00 74.32 H new ATOM 2357 N VAL A 152 1.629 10.963 3.481 1.00 31.51 N ATOM 2358 CA VAL A 152 2.111 9.599 3.490 1.00 73.30 C ATOM 2359 C VAL A 152 1.367 8.759 4.525 1.00 50.22 C ATOM 2360 O VAL A 152 0.819 7.704 4.206 1.00 30.23 O ATOM 2361 CB VAL A 152 3.618 9.572 3.791 1.00 61.11 C ATOM 2362 CG1 VAL A 152 4.131 8.150 3.834 1.00 72.33 C ATOM 2363 CG2 VAL A 152 4.379 10.392 2.760 1.00 65.32 C ATOM 0 H VAL A 152 2.351 11.664 3.650 1.00 31.51 H new ATOM 0 HA VAL A 152 1.929 9.173 2.503 1.00 73.30 H new ATOM 0 HB VAL A 152 3.782 10.018 4.772 1.00 61.11 H new ATOM 0 HG11 VAL A 152 5.200 8.155 4.048 1.00 72.33 H new ATOM 0 HG12 VAL A 152 3.607 7.598 4.614 1.00 72.33 H new ATOM 0 HG13 VAL A 152 3.957 7.671 2.871 1.00 72.33 H new ATOM 0 HG21 VAL A 152 5.445 10.363 2.987 1.00 65.32 H new ATOM 0 HG22 VAL A 152 4.208 9.977 1.767 1.00 65.32 H new ATOM 0 HG23 VAL A 152 4.030 11.424 2.787 1.00 65.32 H new ATOM 2373 N GLU A 153 1.350 9.238 5.764 1.00 21.15 N ATOM 2374 CA GLU A 153 0.670 8.535 6.845 1.00 73.23 C ATOM 2375 C GLU A 153 -0.829 8.442 6.574 1.00 40.22 C ATOM 2376 O GLU A 153 -1.497 7.518 7.039 1.00 11.15 O ATOM 2377 CB GLU A 153 0.917 9.244 8.178 1.00 5.41 C ATOM 2378 CG GLU A 153 2.364 9.662 8.385 1.00 23.32 C ATOM 2379 CD GLU A 153 2.661 10.048 9.822 1.00 22.41 C ATOM 2380 OE1 GLU A 153 1.727 10.018 10.652 1.00 74.34 O ATOM 2381 OE2 GLU A 153 3.828 10.382 10.117 1.00 74.42 O ATOM 0 H GLU A 153 1.799 10.110 6.044 1.00 21.15 H new ATOM 0 HA GLU A 153 1.075 7.524 6.900 1.00 73.23 H new ATOM 0 HB2 GLU A 153 0.281 10.127 8.234 1.00 5.41 H new ATOM 0 HB3 GLU A 153 0.618 8.584 8.992 1.00 5.41 H new ATOM 0 HG2 GLU A 153 3.020 8.843 8.090 1.00 23.32 H new ATOM 0 HG3 GLU A 153 2.592 10.505 7.732 1.00 23.32 H new ATOM 2388 N ASP A 154 -1.352 9.404 5.818 1.00 34.41 N ATOM 2389 CA ASP A 154 -2.772 9.430 5.484 1.00 13.14 C ATOM 2390 C ASP A 154 -3.197 8.128 4.812 1.00 43.22 C ATOM 2391 O ASP A 154 -4.205 7.526 5.183 1.00 51.12 O ATOM 2392 CB ASP A 154 -3.079 10.615 4.567 1.00 65.42 C ATOM 2393 CG ASP A 154 -4.423 11.248 4.869 1.00 63.24 C ATOM 2394 OD1 ASP A 154 -5.307 10.540 5.395 1.00 51.31 O ATOM 2395 OD2 ASP A 154 -4.592 12.451 4.580 1.00 50.31 O ATOM 0 H ASP A 154 -0.813 10.176 5.425 1.00 34.41 H new ATOM 0 HA ASP A 154 -3.336 9.540 6.410 1.00 13.14 H new ATOM 0 HB2 ASP A 154 -2.295 11.365 4.673 1.00 65.42 H new ATOM 0 HB3 ASP A 154 -3.063 10.281 3.529 1.00 65.42 H new ATOM 2400 N ALA A 155 -2.421 7.699 3.822 1.00 43.24 N ATOM 2401 CA ALA A 155 -2.713 6.468 3.097 1.00 13.32 C ATOM 2402 C ALA A 155 -2.796 5.277 4.046 1.00 53.44 C ATOM 2403 O ALA A 155 -3.658 4.411 3.897 1.00 54.41 O ATOM 2404 CB ALA A 155 -1.657 6.223 2.029 1.00 23.12 C ATOM 0 H ALA A 155 -1.584 8.187 3.503 1.00 43.24 H new ATOM 0 HA ALA A 155 -3.684 6.581 2.614 1.00 13.32 H new ATOM 0 HB1 ALA A 155 -1.887 5.301 1.495 1.00 23.12 H new ATOM 0 HB2 ALA A 155 -1.649 7.057 1.327 1.00 23.12 H new ATOM 0 HB3 ALA A 155 -0.677 6.136 2.499 1.00 23.12 H new ATOM 2410 N PHE A 156 -1.892 5.238 5.019 1.00 42.20 N ATOM 2411 CA PHE A 156 -1.860 4.152 5.992 1.00 72.14 C ATOM 2412 C PHE A 156 -3.019 4.265 6.979 1.00 14.11 C ATOM 2413 O PHE A 156 -3.745 3.298 7.210 1.00 4.44 O ATOM 2414 CB PHE A 156 -0.528 4.152 6.743 1.00 15.10 C ATOM 2415 CG PHE A 156 0.611 3.598 5.937 1.00 23.25 C ATOM 2416 CD1 PHE A 156 0.723 2.234 5.720 1.00 53.43 C ATOM 2417 CD2 PHE A 156 1.568 4.440 5.394 1.00 61.21 C ATOM 2418 CE1 PHE A 156 1.768 1.720 4.976 1.00 63.55 C ATOM 2419 CE2 PHE A 156 2.615 3.932 4.649 1.00 33.40 C ATOM 2420 CZ PHE A 156 2.715 2.571 4.440 1.00 42.11 C ATOM 0 H PHE A 156 -1.171 5.947 5.155 1.00 42.20 H new ATOM 0 HA PHE A 156 -1.963 3.211 5.451 1.00 72.14 H new ATOM 0 HB2 PHE A 156 -0.289 5.172 7.043 1.00 15.10 H new ATOM 0 HB3 PHE A 156 -0.635 3.568 7.657 1.00 15.10 H new ATOM 0 HD1 PHE A 156 -0.015 1.565 6.137 1.00 53.43 H new ATOM 0 HD2 PHE A 156 1.495 5.505 5.555 1.00 61.21 H new ATOM 0 HE1 PHE A 156 1.844 0.655 4.814 1.00 63.55 H new ATOM 0 HE2 PHE A 156 3.354 4.599 4.231 1.00 33.40 H new ATOM 0 HZ PHE A 156 3.533 2.172 3.858 1.00 42.11 H new ATOM 2430 N TYR A 157 -3.187 5.450 7.557 1.00 64.31 N ATOM 2431 CA TYR A 157 -4.259 5.687 8.519 1.00 60.54 C ATOM 2432 C TYR A 157 -5.618 5.351 7.914 1.00 3.21 C ATOM 2433 O TYR A 157 -6.481 4.779 8.580 1.00 54.32 O ATOM 2434 CB TYR A 157 -4.240 7.143 8.986 1.00 64.44 C ATOM 2435 CG TYR A 157 -3.070 7.476 9.885 1.00 1.31 C ATOM 2436 CD1 TYR A 157 -2.686 6.615 10.905 1.00 71.12 C ATOM 2437 CD2 TYR A 157 -2.348 8.651 9.711 1.00 75.32 C ATOM 2438 CE1 TYR A 157 -1.616 6.915 11.727 1.00 60.54 C ATOM 2439 CE2 TYR A 157 -1.277 8.957 10.529 1.00 63.31 C ATOM 2440 CZ TYR A 157 -0.916 8.087 11.535 1.00 3.24 C ATOM 2441 OH TYR A 157 0.149 8.389 12.352 1.00 41.42 O ATOM 0 H TYR A 157 -2.595 6.261 7.377 1.00 64.31 H new ATOM 0 HA TYR A 157 -4.094 5.036 9.377 1.00 60.54 H new ATOM 0 HB2 TYR A 157 -4.214 7.795 8.113 1.00 64.44 H new ATOM 0 HB3 TYR A 157 -5.168 7.358 9.517 1.00 64.44 H new ATOM 0 HD1 TYR A 157 -3.232 5.696 11.058 1.00 71.12 H new ATOM 0 HD2 TYR A 157 -2.628 9.336 8.924 1.00 75.32 H new ATOM 0 HE1 TYR A 157 -1.330 6.235 12.516 1.00 60.54 H new ATOM 0 HE2 TYR A 157 -0.725 9.874 10.381 1.00 63.31 H new ATOM 0 HH TYR A 157 0.796 8.934 11.858 1.00 41.42 H new ATOM 2451 N THR A 158 -5.799 5.704 6.646 1.00 23.10 N ATOM 2452 CA THR A 158 -7.046 5.437 5.949 1.00 61.21 C ATOM 2453 C THR A 158 -7.317 3.936 5.890 1.00 14.31 C ATOM 2454 O THR A 158 -8.464 3.497 5.970 1.00 64.40 O ATOM 2455 CB THR A 158 -6.987 6.025 4.539 1.00 2.30 C ATOM 2456 OG1 THR A 158 -6.935 7.439 4.591 1.00 52.22 O ATOM 2457 CG2 THR A 158 -8.166 5.642 3.675 1.00 24.01 C ATOM 0 H THR A 158 -5.094 6.177 6.081 1.00 23.10 H new ATOM 0 HA THR A 158 -7.863 5.908 6.496 1.00 61.21 H new ATOM 0 HB THR A 158 -6.084 5.609 4.092 1.00 2.30 H new ATOM 0 HG1 THR A 158 -6.021 7.725 4.798 1.00 52.22 H new ATOM 0 HG21 THR A 158 -8.057 6.095 2.689 1.00 24.01 H new ATOM 0 HG22 THR A 158 -8.206 4.557 3.574 1.00 24.01 H new ATOM 0 HG23 THR A 158 -9.087 5.997 4.138 1.00 24.01 H new ATOM 2465 N LEU A 159 -6.250 3.155 5.755 1.00 32.44 N ATOM 2466 CA LEU A 159 -6.369 1.704 5.692 1.00 13.11 C ATOM 2467 C LEU A 159 -6.854 1.147 7.026 1.00 71.43 C ATOM 2468 O LEU A 159 -7.610 0.177 7.069 1.00 34.42 O ATOM 2469 CB LEU A 159 -5.023 1.078 5.320 1.00 72.45 C ATOM 2470 CG LEU A 159 -5.033 -0.444 5.170 1.00 73.44 C ATOM 2471 CD1 LEU A 159 -6.116 -0.879 4.194 1.00 30.44 C ATOM 2472 CD2 LEU A 159 -3.670 -0.941 4.711 1.00 63.20 C ATOM 0 H LEU A 159 -5.294 3.503 5.687 1.00 32.44 H new ATOM 0 HA LEU A 159 -7.101 1.452 4.924 1.00 13.11 H new ATOM 0 HB2 LEU A 159 -4.683 1.517 4.382 1.00 72.45 H new ATOM 0 HB3 LEU A 159 -4.292 1.347 6.082 1.00 72.45 H new ATOM 0 HG LEU A 159 -5.252 -0.884 6.143 1.00 73.44 H new ATOM 0 HD11 LEU A 159 -6.107 -1.965 4.101 1.00 30.44 H new ATOM 0 HD12 LEU A 159 -7.089 -0.554 4.562 1.00 30.44 H new ATOM 0 HD13 LEU A 159 -5.929 -0.430 3.219 1.00 30.44 H new ATOM 0 HD21 LEU A 159 -3.694 -2.026 4.609 1.00 63.20 H new ATOM 0 HD22 LEU A 159 -3.424 -0.491 3.749 1.00 63.20 H new ATOM 0 HD23 LEU A 159 -2.915 -0.662 5.446 1.00 63.20 H new ATOM 2484 N VAL A 160 -6.415 1.773 8.113 1.00 14.04 N ATOM 2485 CA VAL A 160 -6.802 1.350 9.451 1.00 1.11 C ATOM 2486 C VAL A 160 -8.311 1.457 9.644 1.00 34.43 C ATOM 2487 O VAL A 160 -8.965 0.495 10.048 1.00 22.24 O ATOM 2488 CB VAL A 160 -6.093 2.197 10.525 1.00 4.01 C ATOM 2489 CG1 VAL A 160 -6.414 1.679 11.918 1.00 32.31 C ATOM 2490 CG2 VAL A 160 -4.590 2.212 10.286 1.00 33.15 C ATOM 0 H VAL A 160 -5.789 2.578 8.091 1.00 14.04 H new ATOM 0 HA VAL A 160 -6.501 0.308 9.560 1.00 1.11 H new ATOM 0 HB VAL A 160 -6.461 3.221 10.453 1.00 4.01 H new ATOM 0 HG11 VAL A 160 -5.903 2.292 12.661 1.00 32.31 H new ATOM 0 HG12 VAL A 160 -7.490 1.728 12.085 1.00 32.31 H new ATOM 0 HG13 VAL A 160 -6.079 0.646 12.008 1.00 32.31 H new ATOM 0 HG21 VAL A 160 -4.105 2.815 11.054 1.00 33.15 H new ATOM 0 HG22 VAL A 160 -4.205 1.193 10.328 1.00 33.15 H new ATOM 0 HG23 VAL A 160 -4.382 2.639 9.305 1.00 33.15 H new ATOM 2500 N ARG A 161 -8.858 2.632 9.351 1.00 53.14 N ATOM 2501 CA ARG A 161 -10.290 2.866 9.491 1.00 4.01 C ATOM 2502 C ARG A 161 -11.087 1.919 8.598 1.00 22.24 C ATOM 2503 O ARG A 161 -12.228 1.574 8.904 1.00 24.43 O ATOM 2504 CB ARG A 161 -10.628 4.317 9.143 1.00 53.24 C ATOM 2505 CG ARG A 161 -9.846 5.336 9.956 1.00 45.31 C ATOM 2506 CD ARG A 161 -9.253 6.422 9.072 1.00 61.20 C ATOM 2507 NE ARG A 161 -9.032 7.666 9.805 1.00 62.21 N ATOM 2508 CZ ARG A 161 -10.009 8.483 10.191 1.00 50.54 C ATOM 2509 NH1 ARG A 161 -11.275 8.191 9.919 1.00 40.43 N ATOM 2510 NH2 ARG A 161 -9.720 9.595 10.853 1.00 21.13 N ATOM 0 H ARG A 161 -8.330 3.438 9.015 1.00 53.14 H new ATOM 0 HA ARG A 161 -10.563 2.675 10.529 1.00 4.01 H new ATOM 0 HB2 ARG A 161 -10.433 4.483 8.084 1.00 53.24 H new ATOM 0 HB3 ARG A 161 -11.694 4.481 9.300 1.00 53.24 H new ATOM 0 HG2 ARG A 161 -10.501 5.789 10.700 1.00 45.31 H new ATOM 0 HG3 ARG A 161 -9.047 4.832 10.500 1.00 45.31 H new ATOM 0 HD2 ARG A 161 -8.308 6.074 8.656 1.00 61.20 H new ATOM 0 HD3 ARG A 161 -9.921 6.610 8.232 1.00 61.20 H new ATOM 0 HE ARG A 161 -8.072 7.924 10.035 1.00 62.21 H new ATOM 0 HH11 ARG A 161 -11.504 7.336 9.411 1.00 40.43 H new ATOM 0 HH12 ARG A 161 -12.019 8.821 10.218 1.00 40.43 H new ATOM 0 HH21 ARG A 161 -8.749 9.824 11.066 1.00 21.13 H new ATOM 0 HH22 ARG A 161 -10.469 10.221 11.149 1.00 21.13 H new ATOM 2524 N GLU A 162 -10.479 1.504 7.491 1.00 13.30 N ATOM 2525 CA GLU A 162 -11.133 0.599 6.553 1.00 60.13 C ATOM 2526 C GLU A 162 -11.209 -0.815 7.120 1.00 15.41 C ATOM 2527 O GLU A 162 -12.288 -1.399 7.214 1.00 64.15 O ATOM 2528 CB GLU A 162 -10.386 0.587 5.218 1.00 45.23 C ATOM 2529 CG GLU A 162 -11.081 -0.228 4.139 1.00 2.32 C ATOM 2530 CD GLU A 162 -12.362 0.421 3.654 1.00 12.43 C ATOM 2531 OE1 GLU A 162 -12.521 1.644 3.853 1.00 22.15 O ATOM 2532 OE2 GLU A 162 -13.207 -0.294 3.074 1.00 25.50 O ATOM 0 H GLU A 162 -9.535 1.780 7.222 1.00 13.30 H new ATOM 0 HA GLU A 162 -12.149 0.959 6.390 1.00 60.13 H new ATOM 0 HB2 GLU A 162 -10.268 1.612 4.868 1.00 45.23 H new ATOM 0 HB3 GLU A 162 -9.384 0.187 5.375 1.00 45.23 H new ATOM 0 HG2 GLU A 162 -10.403 -0.361 3.296 1.00 2.32 H new ATOM 0 HG3 GLU A 162 -11.305 -1.222 4.527 1.00 2.32 H new ATOM 2539 N ILE A 163 -10.057 -1.363 7.497 1.00 50.02 N ATOM 2540 CA ILE A 163 -9.993 -2.703 8.050 1.00 15.33 C ATOM 2541 C ILE A 163 -10.820 -2.817 9.328 1.00 5.12 C ATOM 2542 O ILE A 163 -11.471 -3.834 9.569 1.00 53.32 O ATOM 2543 CB ILE A 163 -8.540 -3.099 8.337 1.00 24.35 C ATOM 2544 CG1 ILE A 163 -7.732 -3.046 7.045 1.00 14.34 C ATOM 2545 CG2 ILE A 163 -8.474 -4.485 8.950 1.00 34.43 C ATOM 2546 CD1 ILE A 163 -6.245 -3.098 7.269 1.00 40.31 C ATOM 0 H ILE A 163 -9.154 -0.893 7.427 1.00 50.02 H new ATOM 0 HA ILE A 163 -10.410 -3.384 7.308 1.00 15.33 H new ATOM 0 HB ILE A 163 -8.115 -2.395 9.052 1.00 24.35 H new ATOM 0 HG12 ILE A 163 -8.025 -3.880 6.407 1.00 14.34 H new ATOM 0 HG13 ILE A 163 -7.979 -2.131 6.507 1.00 14.34 H new ATOM 0 HG21 ILE A 163 -7.434 -4.747 9.146 1.00 34.43 H new ATOM 0 HG22 ILE A 163 -9.034 -4.496 9.885 1.00 34.43 H new ATOM 0 HG23 ILE A 163 -8.907 -5.209 8.260 1.00 34.43 H new ATOM 0 HD11 ILE A 163 -5.731 -3.056 6.309 1.00 40.31 H new ATOM 0 HD12 ILE A 163 -5.939 -2.250 7.881 1.00 40.31 H new ATOM 0 HD13 ILE A 163 -5.986 -4.026 7.779 1.00 40.31 H new ATOM 2558 N ARG A 164 -10.793 -1.766 10.143 1.00 50.00 N ATOM 2559 CA ARG A 164 -11.542 -1.748 11.396 1.00 23.13 C ATOM 2560 C ARG A 164 -13.009 -2.097 11.162 1.00 42.32 C ATOM 2561 O ARG A 164 -13.594 -2.891 11.899 1.00 23.31 O ATOM 2562 CB ARG A 164 -11.436 -0.374 12.059 1.00 20.40 C ATOM 2563 CG ARG A 164 -10.194 -0.204 12.917 1.00 20.51 C ATOM 2564 CD ARG A 164 -10.433 0.772 14.058 1.00 34.23 C ATOM 2565 NE ARG A 164 -10.066 2.139 13.695 1.00 1.14 N ATOM 2566 CZ ARG A 164 -10.886 2.996 13.088 1.00 52.34 C ATOM 2567 NH1 ARG A 164 -12.122 2.634 12.768 1.00 32.14 N ATOM 2568 NH2 ARG A 164 -10.467 4.219 12.797 1.00 4.14 N ATOM 0 H ARG A 164 -10.261 -0.916 9.958 1.00 50.00 H new ATOM 0 HA ARG A 164 -11.109 -2.499 12.057 1.00 23.13 H new ATOM 0 HB2 ARG A 164 -11.440 0.394 11.286 1.00 20.40 H new ATOM 0 HB3 ARG A 164 -12.319 -0.209 12.677 1.00 20.40 H new ATOM 0 HG2 ARG A 164 -9.895 -1.171 13.321 1.00 20.51 H new ATOM 0 HG3 ARG A 164 -9.370 0.152 12.299 1.00 20.51 H new ATOM 0 HD2 ARG A 164 -11.484 0.743 14.346 1.00 34.23 H new ATOM 0 HD3 ARG A 164 -9.856 0.461 14.928 1.00 34.23 H new ATOM 0 HE ARG A 164 -9.123 2.457 13.920 1.00 1.14 H new ATOM 0 HH11 ARG A 164 -12.451 1.693 12.987 1.00 32.14 H new ATOM 0 HH12 ARG A 164 -12.743 3.296 12.303 1.00 32.14 H new ATOM 0 HH21 ARG A 164 -9.518 4.504 13.038 1.00 4.14 H new ATOM 0 HH22 ARG A 164 -11.094 4.876 12.332 1.00 4.14 H new ATOM 2582 N GLN A 165 -13.597 -1.497 10.132 1.00 61.55 N ATOM 2583 CA GLN A 165 -14.995 -1.743 9.800 1.00 51.43 C ATOM 2584 C GLN A 165 -15.230 -3.218 9.495 1.00 10.43 C ATOM 2585 O GLN A 165 -16.203 -3.812 9.961 1.00 51.44 O ATOM 2586 CB GLN A 165 -15.414 -0.889 8.602 1.00 63.43 C ATOM 2587 CG GLN A 165 -15.167 0.598 8.798 1.00 73.43 C ATOM 2588 CD GLN A 165 -16.452 1.401 8.857 1.00 45.11 C ATOM 2589 OE1 GLN A 165 -17.500 0.890 9.252 1.00 0.31 O ATOM 2590 NE2 GLN A 165 -16.378 2.667 8.462 1.00 72.22 N ATOM 0 H GLN A 165 -13.127 -0.837 9.513 1.00 61.55 H new ATOM 0 HA GLN A 165 -15.601 -1.468 10.663 1.00 51.43 H new ATOM 0 HB2 GLN A 165 -14.871 -1.226 7.719 1.00 63.43 H new ATOM 0 HB3 GLN A 165 -16.474 -1.050 8.405 1.00 63.43 H new ATOM 0 HG2 GLN A 165 -14.605 0.751 9.720 1.00 73.43 H new ATOM 0 HG3 GLN A 165 -14.548 0.970 7.982 1.00 73.43 H new ATOM 0 HE21 GLN A 165 -15.489 3.050 8.142 1.00 72.22 H new ATOM 0 HE22 GLN A 165 -17.211 3.256 8.479 1.00 72.22 H new ATOM 2599 N HIS A 166 -14.334 -3.805 8.709 1.00 44.13 N ATOM 2600 CA HIS A 166 -14.443 -5.211 8.341 1.00 10.31 C ATOM 2601 C HIS A 166 -13.847 -6.105 9.424 1.00 31.00 C ATOM 2602 O HIS A 166 -14.612 -6.565 10.297 1.00 50.33 O ATOM 2603 CB HIS A 166 -13.742 -5.466 7.004 1.00 42.33 C ATOM 2604 CG HIS A 166 -14.597 -6.187 6.009 1.00 32.20 C ATOM 2605 ND1 HIS A 166 -15.153 -7.426 6.250 1.00 42.25 N ATOM 2606 CD2 HIS A 166 -14.991 -5.837 4.761 1.00 13.21 C ATOM 2607 CE1 HIS A 166 -15.851 -7.807 5.195 1.00 42.11 C ATOM 2608 NE2 HIS A 166 -15.769 -6.860 4.278 1.00 42.25 N ATOM 2609 OXT HIS A 166 -12.620 -6.337 9.389 1.00 63.33 O ATOM 0 H HIS A 166 -13.523 -3.328 8.314 1.00 44.13 H new ATOM 0 HA HIS A 166 -15.501 -5.454 8.239 1.00 10.31 H new ATOM 0 HB2 HIS A 166 -13.430 -4.512 6.579 1.00 42.33 H new ATOM 0 HB3 HIS A 166 -12.837 -6.047 7.182 1.00 42.33 H new ATOM 0 HD2 HIS A 166 -14.740 -4.923 4.243 1.00 13.21 H new ATOM 0 HE1 HIS A 166 -16.396 -8.735 5.099 1.00 42.11 H new ATOM 0 HE2 HIS A 166 -16.212 -6.885 3.360 1.00 42.25 H new