USER MOD reduce.3.24.130724 H: found=0, std=0, add=938, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 939 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 60 SER OG : rot 76:sc= 1.22 USER MOD Set 1.2: A 64 LYS NZ :NH3+ 144:sc= 0.34 (180deg=0.448) USER MOD Set 1.3: A 90 TYR OH : rot 165:sc= 0.998 USER MOD Set 2.1: A 52 LYS NZ :NH3+ 135:sc= 0.0912 (180deg=-0.183) USER MOD Set 2.2: A 78 SER OG : rot -29:sc= 0.361 USER MOD Set 3.1: A 26 TYR OH : rot -15:sc= 0.538 USER MOD Set 3.2: A 113 LYS NZ :NH3+ -157:sc= 0.596 (180deg=0.451) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 SER OG : rot 133:sc= 0.0746! USER MOD Single : A 11 GLN : amide:sc= -1.37 K(o=-1.4,f=-0.11) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 19 LYS NZ :NH3+ 158:sc= 0.579 (180deg=0.352) USER MOD Single : A 20 LYS NZ :NH3+ -147:sc= -0.169 (180deg=-0.418) USER MOD Single : A 29 GLN : amide:sc= 0 X(o=0,f=-0.28) USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot 180:sc= -0.0193 USER MOD Single : A 32 ASN : amide:sc= -0.21 X(o=-0.21,f=0) USER MOD Single : A 34 LYS NZ :NH3+ 172:sc=-0.00467 (180deg=-0.0748) USER MOD Single : A 35 LYS NZ :NH3+ -123:sc= -0.0793 (180deg=-1.32!) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 ASN : amide:sc= -1.15 X(o=-1.1,f=-1.4) USER MOD Single : A 48 MET CE :methyl 177:sc= -0.592 (180deg=-0.639) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0.25 USER MOD Single : A 56 LYS NZ :NH3+ 139:sc= -1.08 (180deg=-3.24!) USER MOD Single : A 58 SER OG : rot -19:sc= 0.391 USER MOD Single : A 65 GLN : amide:sc= -0.643 K(o=-0.64,f=-0.02) USER MOD Single : A 69 SER OG : rot -160:sc= -1.55! USER MOD Single : A 72 LYS NZ :NH3+ -156:sc= 0 (180deg=-0.359) USER MOD Single : A 77 SER OG : rot 150:sc= -0.0339 USER MOD Single : A 81 ASN : amide:sc= -0.0438 X(o=-0.044,f=0) USER MOD Single : A 85 SER OG : rot 69:sc= 1.08 USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 GLN : amide:sc= -0.121 X(o=-0.12,f=0) USER MOD Single : A 92 LYS NZ :NH3+ -109:sc= -0.524 (180deg=-2.46!) USER MOD Single : A 95 THR OG1 : rot 100:sc= 0 USER MOD Single : A 99 GLN : amide:sc= -0.0404 X(o=-0.04,f=-0.35) USER MOD Single : A 101 LYS NZ :NH3+ 147:sc= 0.221 (180deg=-0.12) USER MOD Single : A 105 LYS NZ :NH3+ -149:sc= 0.967 (180deg=0.405) USER MOD ----------------------------------------------------------------- ATOM 27 N LYS A 3 10.757 7.553 -1.781 1.00 15.41 N ATOM 28 CA LYS A 3 9.406 8.120 -1.899 1.00 45.15 C ATOM 29 C LYS A 3 8.378 7.042 -1.542 1.00 33.15 C ATOM 30 O LYS A 3 8.144 6.101 -2.320 1.00 51.44 O ATOM 31 CB LYS A 3 9.152 8.685 -3.331 1.00 63.24 C ATOM 32 CG LYS A 3 7.696 9.168 -3.622 1.00 40.51 C ATOM 33 CD LYS A 3 7.126 10.164 -2.575 1.00 41.15 C ATOM 34 CE LYS A 3 7.926 11.471 -2.463 1.00 74.13 C ATOM 35 NZ LYS A 3 7.871 12.272 -3.711 1.00 32.41 N ATOM 0 HA LYS A 3 9.308 8.955 -1.205 1.00 45.15 H new ATOM 0 HB2 LYS A 3 9.832 9.520 -3.497 1.00 63.24 H new ATOM 0 HB3 LYS A 3 9.411 7.914 -4.057 1.00 63.24 H new ATOM 0 HG2 LYS A 3 7.673 9.640 -4.604 1.00 40.51 H new ATOM 0 HG3 LYS A 3 7.041 8.298 -3.671 1.00 40.51 H new ATOM 0 HD2 LYS A 3 6.095 10.401 -2.837 1.00 41.15 H new ATOM 0 HD3 LYS A 3 7.103 9.678 -1.600 1.00 41.15 H new ATOM 0 HE2 LYS A 3 7.536 12.064 -1.636 1.00 74.13 H new ATOM 0 HE3 LYS A 3 8.965 11.240 -2.227 1.00 74.13 H new ATOM 0 HZ1 LYS A 3 8.424 13.144 -3.589 1.00 32.41 H new ATOM 0 HZ2 LYS A 3 8.267 11.718 -4.497 1.00 32.41 H new ATOM 0 HZ3 LYS A 3 6.883 12.516 -3.923 1.00 32.41 H new ATOM 49 N VAL A 4 7.816 7.176 -0.335 1.00 64.20 N ATOM 50 CA VAL A 4 6.704 6.353 0.133 1.00 14.54 C ATOM 51 C VAL A 4 5.401 7.024 -0.297 1.00 62.53 C ATOM 52 O VAL A 4 5.234 8.229 -0.098 1.00 0.21 O ATOM 53 CB VAL A 4 6.694 6.194 1.701 1.00 64.54 C ATOM 54 CG1 VAL A 4 5.642 5.144 2.152 1.00 61.34 C ATOM 55 CG2 VAL A 4 8.103 5.868 2.245 1.00 34.41 C ATOM 0 H VAL A 4 8.126 7.867 0.348 1.00 64.20 H new ATOM 0 HA VAL A 4 6.812 5.359 -0.300 1.00 14.54 H new ATOM 0 HB VAL A 4 6.400 7.152 2.130 1.00 64.54 H new ATOM 0 HG11 VAL A 4 5.658 5.056 3.238 1.00 61.34 H new ATOM 0 HG12 VAL A 4 4.650 5.460 1.828 1.00 61.34 H new ATOM 0 HG13 VAL A 4 5.878 4.178 1.706 1.00 61.34 H new ATOM 0 HG21 VAL A 4 8.060 5.765 3.329 1.00 34.41 H new ATOM 0 HG22 VAL A 4 8.456 4.935 1.806 1.00 34.41 H new ATOM 0 HG23 VAL A 4 8.789 6.674 1.984 1.00 34.41 H new ATOM 65 N VAL A 5 4.503 6.265 -0.925 1.00 40.12 N ATOM 66 CA VAL A 5 3.145 6.727 -1.222 1.00 75.34 C ATOM 67 C VAL A 5 2.146 5.766 -0.571 1.00 4.41 C ATOM 68 O VAL A 5 2.090 4.584 -0.923 1.00 61.02 O ATOM 69 CB VAL A 5 2.874 6.851 -2.770 1.00 1.04 C ATOM 70 CG1 VAL A 5 1.394 7.209 -3.050 1.00 34.33 C ATOM 71 CG2 VAL A 5 3.820 7.895 -3.415 1.00 41.12 C ATOM 0 H VAL A 5 4.695 5.315 -1.242 1.00 40.12 H new ATOM 0 HA VAL A 5 3.026 7.730 -0.811 1.00 75.34 H new ATOM 0 HB VAL A 5 3.078 5.880 -3.222 1.00 1.04 H new ATOM 0 HG11 VAL A 5 1.236 7.288 -4.126 1.00 34.33 H new ATOM 0 HG12 VAL A 5 0.748 6.430 -2.645 1.00 34.33 H new ATOM 0 HG13 VAL A 5 1.154 8.161 -2.577 1.00 34.33 H new ATOM 0 HG21 VAL A 5 3.613 7.962 -4.483 1.00 41.12 H new ATOM 0 HG22 VAL A 5 3.657 8.868 -2.952 1.00 41.12 H new ATOM 0 HG23 VAL A 5 4.855 7.590 -3.264 1.00 41.12 H new ATOM 81 N PHE A 6 1.392 6.270 0.417 1.00 5.43 N ATOM 82 CA PHE A 6 0.347 5.503 1.087 1.00 11.14 C ATOM 83 C PHE A 6 -1.000 5.756 0.389 1.00 43.23 C ATOM 84 O PHE A 6 -1.616 6.809 0.543 1.00 1.12 O ATOM 85 CB PHE A 6 0.269 5.876 2.583 1.00 55.25 C ATOM 86 CG PHE A 6 -0.748 5.056 3.352 1.00 64.33 C ATOM 87 CD1 PHE A 6 -0.506 3.710 3.594 1.00 53.40 C ATOM 88 CD2 PHE A 6 -1.946 5.610 3.806 1.00 33.23 C ATOM 89 CE1 PHE A 6 -1.425 2.938 4.256 1.00 21.34 C ATOM 90 CE2 PHE A 6 -2.860 4.834 4.476 1.00 21.24 C ATOM 91 CZ PHE A 6 -2.594 3.495 4.696 1.00 4.52 C ATOM 0 H PHE A 6 1.494 7.222 0.770 1.00 5.43 H new ATOM 0 HA PHE A 6 0.586 4.442 1.023 1.00 11.14 H new ATOM 0 HB2 PHE A 6 1.251 5.742 3.036 1.00 55.25 H new ATOM 0 HB3 PHE A 6 0.018 6.933 2.674 1.00 55.25 H new ATOM 0 HD1 PHE A 6 0.419 3.266 3.256 1.00 53.40 H new ATOM 0 HD2 PHE A 6 -2.155 6.655 3.629 1.00 33.23 H new ATOM 0 HE1 PHE A 6 -1.226 1.891 4.430 1.00 21.34 H new ATOM 0 HE2 PHE A 6 -3.783 5.268 4.830 1.00 21.24 H new ATOM 0 HZ PHE A 6 -3.315 2.884 5.219 1.00 4.52 H new ATOM 101 N LEU A 7 -1.420 4.772 -0.384 1.00 73.21 N ATOM 102 CA LEU A 7 -2.692 4.760 -1.108 1.00 72.22 C ATOM 103 C LEU A 7 -3.691 3.871 -0.339 1.00 30.11 C ATOM 104 O LEU A 7 -3.335 2.761 0.055 1.00 25.24 O ATOM 105 CB LEU A 7 -2.422 4.197 -2.525 1.00 14.32 C ATOM 106 CG LEU A 7 -3.653 4.031 -3.455 1.00 44.11 C ATOM 107 CD1 LEU A 7 -4.366 5.376 -3.690 1.00 0.42 C ATOM 108 CD2 LEU A 7 -3.228 3.361 -4.777 1.00 4.14 C ATOM 0 H LEU A 7 -0.871 3.926 -0.535 1.00 73.21 H new ATOM 0 HA LEU A 7 -3.117 5.760 -1.192 1.00 72.22 H new ATOM 0 HB2 LEU A 7 -1.707 4.853 -3.021 1.00 14.32 H new ATOM 0 HB3 LEU A 7 -1.942 3.224 -2.419 1.00 14.32 H new ATOM 0 HG LEU A 7 -4.377 3.380 -2.965 1.00 44.11 H new ATOM 0 HD11 LEU A 7 -5.223 5.224 -4.346 1.00 0.42 H new ATOM 0 HD12 LEU A 7 -4.706 5.779 -2.736 1.00 0.42 H new ATOM 0 HD13 LEU A 7 -3.674 6.078 -4.155 1.00 0.42 H new ATOM 0 HD21 LEU A 7 -4.098 3.248 -5.424 1.00 4.14 H new ATOM 0 HD22 LEU A 7 -2.483 3.981 -5.276 1.00 4.14 H new ATOM 0 HD23 LEU A 7 -2.802 2.380 -4.567 1.00 4.14 H new ATOM 120 N SER A 8 -4.923 4.367 -0.094 1.00 54.43 N ATOM 121 CA SER A 8 -5.977 3.599 0.610 1.00 22.13 C ATOM 122 C SER A 8 -7.382 4.029 0.171 1.00 4.42 C ATOM 123 O SER A 8 -7.593 5.159 -0.267 1.00 74.21 O ATOM 124 CB SER A 8 -5.844 3.753 2.143 1.00 62.13 C ATOM 125 OG SER A 8 -4.679 3.125 2.617 1.00 42.20 O ATOM 0 H SER A 8 -5.215 5.303 -0.375 1.00 54.43 H new ATOM 0 HA SER A 8 -5.838 2.552 0.342 1.00 22.13 H new ATOM 0 HB2 SER A 8 -5.822 4.811 2.404 1.00 62.13 H new ATOM 0 HB3 SER A 8 -6.718 3.322 2.632 1.00 62.13 H new ATOM 0 HG SER A 8 -4.206 3.730 3.226 1.00 42.20 H new ATOM 131 N ASP A 9 -8.340 3.102 0.333 1.00 1.12 N ATOM 132 CA ASP A 9 -9.761 3.306 0.001 1.00 4.10 C ATOM 133 C ASP A 9 -10.507 4.002 1.160 1.00 71.14 C ATOM 134 O ASP A 9 -11.332 4.896 0.938 1.00 1.24 O ATOM 135 CB ASP A 9 -10.407 1.929 -0.320 1.00 51.45 C ATOM 136 CG ASP A 9 -11.939 1.992 -0.490 1.00 65.01 C ATOM 137 OD1 ASP A 9 -12.410 2.491 -1.534 1.00 14.23 O ATOM 138 OD2 ASP A 9 -12.673 1.538 0.419 1.00 1.03 O ATOM 0 H ASP A 9 -8.146 2.172 0.705 1.00 1.12 H new ATOM 0 HA ASP A 9 -9.835 3.956 -0.871 1.00 4.10 H new ATOM 0 HB2 ASP A 9 -9.964 1.533 -1.234 1.00 51.45 H new ATOM 0 HB3 ASP A 9 -10.167 1.229 0.480 1.00 51.45 H new ATOM 143 N ASP A 10 -10.206 3.582 2.396 1.00 73.03 N ATOM 144 CA ASP A 10 -10.900 4.072 3.610 1.00 33.25 C ATOM 145 C ASP A 10 -10.157 5.292 4.200 1.00 32.43 C ATOM 146 O ASP A 10 -8.932 5.265 4.330 1.00 24.20 O ATOM 147 CB ASP A 10 -11.007 2.924 4.643 1.00 55.24 C ATOM 148 CG ASP A 10 -11.743 3.327 5.936 1.00 32.50 C ATOM 149 OD1 ASP A 10 -12.971 3.131 6.020 1.00 71.23 O ATOM 150 OD2 ASP A 10 -11.100 3.851 6.865 1.00 53.40 O ATOM 0 H ASP A 10 -9.478 2.895 2.590 1.00 73.03 H new ATOM 0 HA ASP A 10 -11.907 4.396 3.347 1.00 33.25 H new ATOM 0 HB2 ASP A 10 -11.527 2.082 4.186 1.00 55.24 H new ATOM 0 HB3 ASP A 10 -10.004 2.580 4.897 1.00 55.24 H new ATOM 155 N GLN A 11 -10.928 6.338 4.568 1.00 64.43 N ATOM 156 CA GLN A 11 -10.397 7.632 5.048 1.00 4.02 C ATOM 157 C GLN A 11 -9.776 7.530 6.463 1.00 55.41 C ATOM 158 O GLN A 11 -8.711 8.114 6.702 1.00 30.15 O ATOM 159 CB GLN A 11 -11.521 8.713 5.015 1.00 33.53 C ATOM 160 CG GLN A 11 -11.053 10.147 5.337 1.00 25.05 C ATOM 161 CD GLN A 11 -9.965 10.660 4.390 1.00 51.32 C ATOM 162 OE1 GLN A 11 -10.246 11.269 3.358 1.00 14.24 O ATOM 163 NE2 GLN A 11 -8.713 10.418 4.734 1.00 72.44 N ATOM 0 H GLN A 11 -11.947 6.307 4.540 1.00 64.43 H new ATOM 0 HA GLN A 11 -9.592 7.926 4.374 1.00 4.02 H new ATOM 0 HB2 GLN A 11 -11.979 8.710 4.026 1.00 33.53 H new ATOM 0 HB3 GLN A 11 -12.297 8.431 5.727 1.00 33.53 H new ATOM 0 HG2 GLN A 11 -11.910 10.819 5.292 1.00 25.05 H new ATOM 0 HG3 GLN A 11 -10.678 10.177 6.360 1.00 25.05 H new ATOM 0 HE21 GLN A 11 -8.510 9.911 5.595 1.00 72.44 H new ATOM 0 HE22 GLN A 11 -7.949 10.738 4.138 1.00 72.44 H new ATOM 172 N GLU A 12 -10.433 6.774 7.382 1.00 52.30 N ATOM 173 CA GLU A 12 -9.953 6.595 8.785 1.00 74.23 C ATOM 174 C GLU A 12 -8.531 6.004 8.791 1.00 3.30 C ATOM 175 O GLU A 12 -7.697 6.365 9.621 1.00 5.35 O ATOM 176 CB GLU A 12 -10.898 5.663 9.599 1.00 65.14 C ATOM 177 CG GLU A 12 -12.369 6.110 9.665 1.00 12.35 C ATOM 178 CD GLU A 12 -13.244 5.112 10.445 1.00 74.42 C ATOM 179 OE1 GLU A 12 -13.390 5.264 11.681 1.00 42.14 O ATOM 180 OE2 GLU A 12 -13.763 4.150 9.837 1.00 74.31 O ATOM 0 H GLU A 12 -11.300 6.276 7.178 1.00 52.30 H new ATOM 0 HA GLU A 12 -9.947 7.578 9.255 1.00 74.23 H new ATOM 0 HB2 GLU A 12 -10.859 4.664 9.164 1.00 65.14 H new ATOM 0 HB3 GLU A 12 -10.514 5.583 10.616 1.00 65.14 H new ATOM 0 HG2 GLU A 12 -12.429 7.090 10.138 1.00 12.35 H new ATOM 0 HG3 GLU A 12 -12.760 6.220 8.653 1.00 12.35 H new ATOM 187 N ILE A 13 -8.286 5.107 7.818 1.00 42.42 N ATOM 188 CA ILE A 13 -6.980 4.482 7.584 1.00 21.32 C ATOM 189 C ILE A 13 -5.922 5.558 7.203 1.00 43.43 C ATOM 190 O ILE A 13 -4.863 5.655 7.848 1.00 23.51 O ATOM 191 CB ILE A 13 -7.092 3.415 6.431 1.00 52.54 C ATOM 192 CG1 ILE A 13 -8.114 2.277 6.768 1.00 52.14 C ATOM 193 CG2 ILE A 13 -5.723 2.828 6.075 1.00 14.53 C ATOM 194 CD1 ILE A 13 -7.792 1.425 7.984 1.00 13.21 C ATOM 0 H ILE A 13 -9.004 4.794 7.165 1.00 42.42 H new ATOM 0 HA ILE A 13 -6.663 3.988 8.502 1.00 21.32 H new ATOM 0 HB ILE A 13 -7.474 3.943 5.557 1.00 52.54 H new ATOM 0 HG12 ILE A 13 -9.094 2.730 6.917 1.00 52.14 H new ATOM 0 HG13 ILE A 13 -8.194 1.621 5.901 1.00 52.14 H new ATOM 0 HG21 ILE A 13 -5.838 2.095 5.276 1.00 14.53 H new ATOM 0 HG22 ILE A 13 -5.060 3.627 5.742 1.00 14.53 H new ATOM 0 HG23 ILE A 13 -5.295 2.343 6.953 1.00 14.53 H new ATOM 0 HD11 ILE A 13 -8.569 0.672 8.117 1.00 13.21 H new ATOM 0 HD12 ILE A 13 -6.831 0.932 7.839 1.00 13.21 H new ATOM 0 HD13 ILE A 13 -7.745 2.058 8.870 1.00 13.21 H new ATOM 206 N ILE A 14 -6.262 6.374 6.168 1.00 52.44 N ATOM 207 CA ILE A 14 -5.365 7.400 5.582 1.00 74.03 C ATOM 208 C ILE A 14 -4.891 8.395 6.659 1.00 0.41 C ATOM 209 O ILE A 14 -3.703 8.693 6.753 1.00 15.30 O ATOM 210 CB ILE A 14 -6.074 8.192 4.405 1.00 33.00 C ATOM 211 CG1 ILE A 14 -6.537 7.218 3.275 1.00 21.02 C ATOM 212 CG2 ILE A 14 -5.157 9.300 3.825 1.00 72.22 C ATOM 213 CD1 ILE A 14 -7.344 7.867 2.157 1.00 24.15 C ATOM 0 H ILE A 14 -7.175 6.335 5.715 1.00 52.44 H new ATOM 0 HA ILE A 14 -4.502 6.874 5.174 1.00 74.03 H new ATOM 0 HB ILE A 14 -6.955 8.677 4.827 1.00 33.00 H new ATOM 0 HG12 ILE A 14 -5.656 6.745 2.840 1.00 21.02 H new ATOM 0 HG13 ILE A 14 -7.136 6.425 3.722 1.00 21.02 H new ATOM 0 HG21 ILE A 14 -5.678 9.820 3.021 1.00 72.22 H new ATOM 0 HG22 ILE A 14 -4.903 10.010 4.612 1.00 72.22 H new ATOM 0 HG23 ILE A 14 -4.245 8.850 3.434 1.00 72.22 H new ATOM 0 HD11 ILE A 14 -7.619 7.111 1.421 1.00 24.15 H new ATOM 0 HD12 ILE A 14 -8.247 8.315 2.573 1.00 24.15 H new ATOM 0 HD13 ILE A 14 -6.744 8.640 1.677 1.00 24.15 H new ATOM 225 N GLU A 15 -5.846 8.843 7.497 1.00 64.24 N ATOM 226 CA GLU A 15 -5.613 9.870 8.536 1.00 21.14 C ATOM 227 C GLU A 15 -4.635 9.375 9.622 1.00 32.14 C ATOM 228 O GLU A 15 -3.711 10.098 9.996 1.00 54.55 O ATOM 229 CB GLU A 15 -6.965 10.294 9.163 1.00 5.50 C ATOM 230 CG GLU A 15 -7.943 10.938 8.160 1.00 62.41 C ATOM 231 CD GLU A 15 -9.313 11.245 8.782 1.00 75.12 C ATOM 232 OE1 GLU A 15 -10.261 10.454 8.586 1.00 15.43 O ATOM 233 OE2 GLU A 15 -9.448 12.268 9.492 1.00 33.24 O ATOM 0 H GLU A 15 -6.807 8.502 7.473 1.00 64.24 H new ATOM 0 HA GLU A 15 -5.150 10.736 8.062 1.00 21.14 H new ATOM 0 HB2 GLU A 15 -7.439 9.419 9.607 1.00 5.50 H new ATOM 0 HB3 GLU A 15 -6.774 10.998 9.973 1.00 5.50 H new ATOM 0 HG2 GLU A 15 -7.508 11.861 7.776 1.00 62.41 H new ATOM 0 HG3 GLU A 15 -8.076 10.270 7.309 1.00 62.41 H new ATOM 240 N GLU A 16 -4.845 8.131 10.096 1.00 41.20 N ATOM 241 CA GLU A 16 -4.040 7.516 11.179 1.00 72.52 C ATOM 242 C GLU A 16 -2.577 7.294 10.756 1.00 64.51 C ATOM 243 O GLU A 16 -1.648 7.530 11.539 1.00 64.43 O ATOM 244 CB GLU A 16 -4.685 6.176 11.601 1.00 32.01 C ATOM 245 CG GLU A 16 -6.035 6.333 12.323 1.00 21.15 C ATOM 246 CD GLU A 16 -5.904 6.784 13.790 1.00 0.50 C ATOM 247 OE1 GLU A 16 -5.582 5.929 14.651 1.00 74.32 O ATOM 248 OE2 GLU A 16 -6.120 7.975 14.091 1.00 51.43 O ATOM 0 H GLU A 16 -5.579 7.519 9.740 1.00 41.20 H new ATOM 0 HA GLU A 16 -4.029 8.204 12.024 1.00 72.52 H new ATOM 0 HB2 GLU A 16 -4.828 5.558 10.715 1.00 32.01 H new ATOM 0 HB3 GLU A 16 -3.995 5.642 12.254 1.00 32.01 H new ATOM 0 HG2 GLU A 16 -6.644 7.058 11.782 1.00 21.15 H new ATOM 0 HG3 GLU A 16 -6.567 5.382 12.291 1.00 21.15 H new ATOM 255 N VAL A 17 -2.393 6.818 9.522 1.00 3.50 N ATOM 256 CA VAL A 17 -1.062 6.567 8.953 1.00 25.11 C ATOM 257 C VAL A 17 -0.339 7.891 8.622 1.00 11.55 C ATOM 258 O VAL A 17 0.874 7.999 8.812 1.00 60.34 O ATOM 259 CB VAL A 17 -1.184 5.663 7.682 1.00 71.30 C ATOM 260 CG1 VAL A 17 0.181 5.444 6.995 1.00 12.31 C ATOM 261 CG2 VAL A 17 -1.854 4.313 8.046 1.00 14.15 C ATOM 0 H VAL A 17 -3.160 6.595 8.888 1.00 3.50 H new ATOM 0 HA VAL A 17 -0.462 6.043 9.697 1.00 25.11 H new ATOM 0 HB VAL A 17 -1.817 6.182 6.963 1.00 71.30 H new ATOM 0 HG11 VAL A 17 0.049 4.811 6.118 1.00 12.31 H new ATOM 0 HG12 VAL A 17 0.593 6.406 6.690 1.00 12.31 H new ATOM 0 HG13 VAL A 17 0.866 4.960 7.692 1.00 12.31 H new ATOM 0 HG21 VAL A 17 -1.933 3.693 7.153 1.00 14.15 H new ATOM 0 HG22 VAL A 17 -1.251 3.797 8.793 1.00 14.15 H new ATOM 0 HG23 VAL A 17 -2.850 4.498 8.448 1.00 14.15 H new ATOM 271 N SER A 18 -1.100 8.886 8.132 1.00 15.34 N ATOM 272 CA SER A 18 -0.585 10.239 7.823 1.00 65.53 C ATOM 273 C SER A 18 -0.115 10.955 9.108 1.00 64.30 C ATOM 274 O SER A 18 0.880 11.695 9.101 1.00 52.23 O ATOM 275 CB SER A 18 -1.690 11.059 7.109 1.00 13.41 C ATOM 276 OG SER A 18 -1.239 12.337 6.697 1.00 13.11 O ATOM 0 H SER A 18 -2.095 8.777 7.937 1.00 15.34 H new ATOM 0 HA SER A 18 0.277 10.149 7.162 1.00 65.53 H new ATOM 0 HB2 SER A 18 -2.044 10.505 6.240 1.00 13.41 H new ATOM 0 HB3 SER A 18 -2.541 11.177 7.780 1.00 13.41 H new ATOM 0 HG SER A 18 -1.970 12.814 6.251 1.00 13.11 H new ATOM 282 N LYS A 19 -0.847 10.697 10.209 1.00 40.53 N ATOM 283 CA LYS A 19 -0.531 11.229 11.541 1.00 74.33 C ATOM 284 C LYS A 19 0.790 10.625 12.051 1.00 63.32 C ATOM 285 O LYS A 19 1.637 11.333 12.602 1.00 12.32 O ATOM 286 CB LYS A 19 -1.698 10.931 12.521 1.00 31.02 C ATOM 287 CG LYS A 19 -1.490 11.430 13.973 1.00 52.23 C ATOM 288 CD LYS A 19 -1.211 12.947 14.082 1.00 24.51 C ATOM 289 CE LYS A 19 -2.359 13.822 13.557 1.00 32.42 C ATOM 290 NZ LYS A 19 -2.002 15.268 13.595 1.00 4.10 N ATOM 0 H LYS A 19 -1.680 10.108 10.195 1.00 40.53 H new ATOM 0 HA LYS A 19 -0.407 12.310 11.478 1.00 74.33 H new ATOM 0 HB2 LYS A 19 -2.607 11.385 12.126 1.00 31.02 H new ATOM 0 HB3 LYS A 19 -1.864 9.854 12.545 1.00 31.02 H new ATOM 0 HG2 LYS A 19 -2.377 11.191 14.559 1.00 52.23 H new ATOM 0 HG3 LYS A 19 -0.658 10.885 14.418 1.00 52.23 H new ATOM 0 HD2 LYS A 19 -1.021 13.199 15.125 1.00 24.51 H new ATOM 0 HD3 LYS A 19 -0.303 13.182 13.527 1.00 24.51 H new ATOM 0 HE2 LYS A 19 -2.601 13.532 12.534 1.00 32.42 H new ATOM 0 HE3 LYS A 19 -3.253 13.651 14.157 1.00 32.42 H new ATOM 0 HZ1 LYS A 19 -2.597 15.790 12.921 1.00 4.10 H new ATOM 0 HZ2 LYS A 19 -2.157 15.639 14.554 1.00 4.10 H new ATOM 0 HZ3 LYS A 19 -1.002 15.385 13.336 1.00 4.10 H new ATOM 304 N LYS A 20 0.958 9.307 11.842 1.00 74.41 N ATOM 305 CA LYS A 20 2.211 8.605 12.168 1.00 52.14 C ATOM 306 C LYS A 20 3.377 9.103 11.288 1.00 23.33 C ATOM 307 O LYS A 20 4.492 9.278 11.776 1.00 15.31 O ATOM 308 CB LYS A 20 2.029 7.069 12.034 1.00 12.41 C ATOM 309 CG LYS A 20 3.319 6.262 12.334 1.00 52.34 C ATOM 310 CD LYS A 20 3.079 4.755 12.551 1.00 12.25 C ATOM 311 CE LYS A 20 2.278 4.443 13.827 1.00 13.20 C ATOM 312 NZ LYS A 20 2.231 2.977 14.103 1.00 14.14 N ATOM 0 H LYS A 20 0.237 8.704 11.446 1.00 74.41 H new ATOM 0 HA LYS A 20 2.462 8.829 13.205 1.00 52.14 H new ATOM 0 HB2 LYS A 20 1.241 6.744 12.714 1.00 12.41 H new ATOM 0 HB3 LYS A 20 1.693 6.838 11.023 1.00 12.41 H new ATOM 0 HG2 LYS A 20 4.018 6.393 11.508 1.00 52.34 H new ATOM 0 HG3 LYS A 20 3.795 6.675 13.223 1.00 52.34 H new ATOM 0 HD2 LYS A 20 2.548 4.351 11.689 1.00 12.25 H new ATOM 0 HD3 LYS A 20 4.041 4.245 12.600 1.00 12.25 H new ATOM 0 HE2 LYS A 20 2.728 4.959 14.675 1.00 13.20 H new ATOM 0 HE3 LYS A 20 1.263 4.827 13.723 1.00 13.20 H new ATOM 0 HZ1 LYS A 20 1.323 2.737 14.550 1.00 14.14 H new ATOM 0 HZ2 LYS A 20 2.326 2.452 13.210 1.00 14.14 H new ATOM 0 HZ3 LYS A 20 3.010 2.719 14.741 1.00 14.14 H new ATOM 326 N ALA A 21 3.087 9.372 10.002 1.00 32.12 N ATOM 327 CA ALA A 21 4.078 9.907 9.041 1.00 21.04 C ATOM 328 C ALA A 21 4.589 11.292 9.481 1.00 71.52 C ATOM 329 O ALA A 21 5.729 11.664 9.201 1.00 33.33 O ATOM 330 CB ALA A 21 3.460 9.987 7.641 1.00 31.43 C ATOM 0 H ALA A 21 2.162 9.226 9.597 1.00 32.12 H new ATOM 0 HA ALA A 21 4.931 9.228 9.017 1.00 21.04 H new ATOM 0 HB1 ALA A 21 4.196 10.382 6.940 1.00 31.43 H new ATOM 0 HB2 ALA A 21 3.152 8.991 7.322 1.00 31.43 H new ATOM 0 HB3 ALA A 21 2.591 10.645 7.664 1.00 31.43 H new ATOM 336 N GLU A 22 3.709 12.033 10.167 1.00 65.10 N ATOM 337 CA GLU A 22 4.014 13.358 10.726 1.00 1.33 C ATOM 338 C GLU A 22 4.947 13.245 11.955 1.00 53.24 C ATOM 339 O GLU A 22 6.023 13.860 11.982 1.00 1.44 O ATOM 340 CB GLU A 22 2.679 14.058 11.086 1.00 10.00 C ATOM 341 CG GLU A 22 2.813 15.490 11.631 1.00 41.12 C ATOM 342 CD GLU A 22 1.450 16.168 11.823 1.00 2.32 C ATOM 343 OE1 GLU A 22 0.969 16.843 10.886 1.00 13.13 O ATOM 344 OE2 GLU A 22 0.833 16.002 12.895 1.00 44.44 O ATOM 0 H GLU A 22 2.754 11.726 10.352 1.00 65.10 H new ATOM 0 HA GLU A 22 4.547 13.956 9.987 1.00 1.33 H new ATOM 0 HB2 GLU A 22 2.050 14.083 10.196 1.00 10.00 H new ATOM 0 HB3 GLU A 22 2.159 13.452 11.828 1.00 10.00 H new ATOM 0 HG2 GLU A 22 3.342 15.466 12.584 1.00 41.12 H new ATOM 0 HG3 GLU A 22 3.418 16.083 10.945 1.00 41.12 H new ATOM 351 N GLU A 23 4.525 12.439 12.945 1.00 3.35 N ATOM 352 CA GLU A 23 5.235 12.261 14.235 1.00 22.14 C ATOM 353 C GLU A 23 6.637 11.644 14.045 1.00 43.01 C ATOM 354 O GLU A 23 7.619 12.132 14.622 1.00 73.20 O ATOM 355 CB GLU A 23 4.370 11.384 15.179 1.00 51.43 C ATOM 356 CG GLU A 23 3.001 12.010 15.527 1.00 14.23 C ATOM 357 CD GLU A 23 2.126 11.102 16.404 1.00 13.10 C ATOM 358 OE1 GLU A 23 2.458 10.913 17.594 1.00 61.35 O ATOM 359 OE2 GLU A 23 1.112 10.562 15.917 1.00 71.14 O ATOM 0 H GLU A 23 3.672 11.884 12.876 1.00 3.35 H new ATOM 0 HA GLU A 23 5.384 13.244 14.682 1.00 22.14 H new ATOM 0 HB2 GLU A 23 4.207 10.413 14.711 1.00 51.43 H new ATOM 0 HB3 GLU A 23 4.922 11.204 16.101 1.00 51.43 H new ATOM 0 HG2 GLU A 23 3.162 12.957 16.043 1.00 14.23 H new ATOM 0 HG3 GLU A 23 2.467 12.237 14.604 1.00 14.23 H new ATOM 366 N GLU A 24 6.718 10.586 13.222 1.00 5.52 N ATOM 367 CA GLU A 24 7.990 9.907 12.886 1.00 73.12 C ATOM 368 C GLU A 24 8.835 10.763 11.917 1.00 71.25 C ATOM 369 O GLU A 24 10.063 10.633 11.874 1.00 72.25 O ATOM 370 CB GLU A 24 7.684 8.545 12.214 1.00 75.13 C ATOM 371 CG GLU A 24 6.884 7.537 13.075 1.00 42.44 C ATOM 372 CD GLU A 24 7.752 6.734 14.054 1.00 51.24 C ATOM 373 OE1 GLU A 24 8.139 5.592 13.722 1.00 23.40 O ATOM 374 OE2 GLU A 24 8.062 7.237 15.155 1.00 11.25 O ATOM 0 H GLU A 24 5.904 10.173 12.767 1.00 5.52 H new ATOM 0 HA GLU A 24 8.553 9.759 13.808 1.00 73.12 H new ATOM 0 HB2 GLU A 24 7.129 8.731 11.295 1.00 75.13 H new ATOM 0 HB3 GLU A 24 8.628 8.081 11.928 1.00 75.13 H new ATOM 0 HG2 GLU A 24 6.123 8.078 13.638 1.00 42.44 H new ATOM 0 HG3 GLU A 24 6.361 6.845 12.415 1.00 42.44 H new ATOM 381 N GLY A 25 8.162 11.653 11.164 1.00 42.41 N ATOM 382 CA GLY A 25 8.818 12.479 10.152 1.00 53.43 C ATOM 383 C GLY A 25 9.148 11.711 8.871 1.00 15.23 C ATOM 384 O GLY A 25 10.155 11.996 8.216 1.00 52.23 O ATOM 0 H GLY A 25 7.158 11.814 11.244 1.00 42.41 H new ATOM 0 HA2 GLY A 25 8.173 13.323 9.907 1.00 53.43 H new ATOM 0 HA3 GLY A 25 9.737 12.891 10.568 1.00 53.43 H new ATOM 388 N TYR A 26 8.302 10.720 8.532 1.00 51.32 N ATOM 389 CA TYR A 26 8.385 9.986 7.256 1.00 23.32 C ATOM 390 C TYR A 26 7.900 10.881 6.100 1.00 53.50 C ATOM 391 O TYR A 26 6.924 11.621 6.261 1.00 54.11 O ATOM 392 CB TYR A 26 7.505 8.704 7.297 1.00 24.40 C ATOM 393 CG TYR A 26 7.950 7.586 8.254 1.00 12.14 C ATOM 394 CD1 TYR A 26 9.292 7.213 8.357 1.00 61.43 C ATOM 395 CD2 TYR A 26 7.014 6.856 9.005 1.00 12.41 C ATOM 396 CE1 TYR A 26 9.683 6.166 9.171 1.00 2.44 C ATOM 397 CE2 TYR A 26 7.405 5.813 9.825 1.00 50.33 C ATOM 398 CZ TYR A 26 8.741 5.470 9.903 1.00 53.34 C ATOM 399 OH TYR A 26 9.140 4.420 10.709 1.00 60.10 O ATOM 0 H TYR A 26 7.542 10.406 9.135 1.00 51.32 H new ATOM 0 HA TYR A 26 9.426 9.703 7.099 1.00 23.32 H new ATOM 0 HB2 TYR A 26 6.490 8.997 7.566 1.00 24.40 H new ATOM 0 HB3 TYR A 26 7.460 8.291 6.289 1.00 24.40 H new ATOM 0 HD1 TYR A 26 10.037 7.752 7.791 1.00 61.43 H new ATOM 0 HD2 TYR A 26 5.967 7.114 8.941 1.00 12.41 H new ATOM 0 HE1 TYR A 26 10.726 5.892 9.234 1.00 2.44 H new ATOM 0 HE2 TYR A 26 6.670 5.270 10.401 1.00 50.33 H new ATOM 0 HH TYR A 26 10.051 4.151 10.469 1.00 60.10 H new ATOM 409 N ASP A 27 8.580 10.807 4.945 1.00 33.22 N ATOM 410 CA ASP A 27 8.152 11.497 3.712 1.00 3.44 C ATOM 411 C ASP A 27 7.180 10.583 2.935 1.00 53.04 C ATOM 412 O ASP A 27 7.594 9.774 2.090 1.00 40.33 O ATOM 413 CB ASP A 27 9.392 11.894 2.847 1.00 42.20 C ATOM 414 CG ASP A 27 9.040 12.542 1.489 1.00 62.25 C ATOM 415 OD1 ASP A 27 8.308 13.560 1.480 1.00 3.14 O ATOM 416 OD2 ASP A 27 9.518 12.065 0.429 1.00 52.02 O ATOM 0 H ASP A 27 9.440 10.269 4.837 1.00 33.22 H new ATOM 0 HA ASP A 27 7.632 12.421 3.966 1.00 3.44 H new ATOM 0 HB2 ASP A 27 10.011 12.587 3.417 1.00 42.20 H new ATOM 0 HB3 ASP A 27 9.994 11.004 2.666 1.00 42.20 H new ATOM 421 N ILE A 28 5.890 10.659 3.305 1.00 43.03 N ATOM 422 CA ILE A 28 4.818 9.867 2.679 1.00 4.12 C ATOM 423 C ILE A 28 3.815 10.808 1.989 1.00 61.03 C ATOM 424 O ILE A 28 3.376 11.797 2.583 1.00 62.50 O ATOM 425 CB ILE A 28 4.040 8.968 3.725 1.00 33.14 C ATOM 426 CG1 ILE A 28 5.021 8.078 4.557 1.00 51.23 C ATOM 427 CG2 ILE A 28 2.977 8.100 3.011 1.00 13.20 C ATOM 428 CD1 ILE A 28 4.352 7.087 5.505 1.00 33.45 C ATOM 0 H ILE A 28 5.561 11.274 4.049 1.00 43.03 H new ATOM 0 HA ILE A 28 5.291 9.205 1.954 1.00 4.12 H new ATOM 0 HB ILE A 28 3.530 9.633 4.423 1.00 33.14 H new ATOM 0 HG12 ILE A 28 5.657 7.524 3.867 1.00 51.23 H new ATOM 0 HG13 ILE A 28 5.673 8.730 5.139 1.00 51.23 H new ATOM 0 HG21 ILE A 28 2.453 7.489 3.746 1.00 13.20 H new ATOM 0 HG22 ILE A 28 2.263 8.746 2.500 1.00 13.20 H new ATOM 0 HG23 ILE A 28 3.465 7.452 2.283 1.00 13.20 H new ATOM 0 HD11 ILE A 28 5.116 6.518 6.035 1.00 33.45 H new ATOM 0 HD12 ILE A 28 3.739 7.629 6.225 1.00 33.45 H new ATOM 0 HD13 ILE A 28 3.723 6.405 4.933 1.00 33.45 H new ATOM 440 N GLN A 29 3.499 10.520 0.715 1.00 23.42 N ATOM 441 CA GLN A 29 2.359 11.115 0.010 1.00 53.45 C ATOM 442 C GLN A 29 1.146 10.188 0.204 1.00 64.31 C ATOM 443 O GLN A 29 1.159 9.049 -0.257 1.00 64.25 O ATOM 444 CB GLN A 29 2.685 11.271 -1.503 1.00 61.12 C ATOM 445 CG GLN A 29 1.522 11.831 -2.360 1.00 5.22 C ATOM 446 CD GLN A 29 1.112 13.268 -2.007 1.00 3.20 C ATOM 447 OE1 GLN A 29 1.940 14.090 -1.611 1.00 60.41 O ATOM 448 NE2 GLN A 29 -0.170 13.577 -2.129 1.00 64.51 N ATOM 0 H GLN A 29 4.033 9.864 0.145 1.00 23.42 H new ATOM 0 HA GLN A 29 2.142 12.106 0.409 1.00 53.45 H new ATOM 0 HB2 GLN A 29 3.547 11.930 -1.609 1.00 61.12 H new ATOM 0 HB3 GLN A 29 2.976 10.299 -1.900 1.00 61.12 H new ATOM 0 HG2 GLN A 29 1.811 11.796 -3.411 1.00 5.22 H new ATOM 0 HG3 GLN A 29 0.655 11.180 -2.245 1.00 5.22 H new ATOM 0 HE21 GLN A 29 -0.834 12.877 -2.459 1.00 64.51 H new ATOM 0 HE22 GLN A 29 -0.493 14.515 -1.893 1.00 64.51 H new ATOM 457 N THR A 30 0.115 10.663 0.905 1.00 34.34 N ATOM 458 CA THR A 30 -1.109 9.885 1.147 1.00 23.43 C ATOM 459 C THR A 30 -2.180 10.285 0.112 1.00 50.14 C ATOM 460 O THR A 30 -2.213 11.441 -0.329 1.00 10.54 O ATOM 461 CB THR A 30 -1.635 10.098 2.606 1.00 22.34 C ATOM 462 OG1 THR A 30 -1.818 11.495 2.865 1.00 24.34 O ATOM 463 CG2 THR A 30 -0.676 9.507 3.660 1.00 21.03 C ATOM 0 H THR A 30 0.101 11.594 1.321 1.00 34.34 H new ATOM 0 HA THR A 30 -0.882 8.825 1.037 1.00 23.43 H new ATOM 0 HB THR A 30 -2.588 9.574 2.684 1.00 22.34 H new ATOM 0 HG1 THR A 30 -2.149 11.618 3.779 1.00 24.34 H new ATOM 0 HG21 THR A 30 -1.081 9.678 4.657 1.00 21.03 H new ATOM 0 HG22 THR A 30 -0.566 8.436 3.492 1.00 21.03 H new ATOM 0 HG23 THR A 30 0.298 9.989 3.577 1.00 21.03 H new ATOM 471 N SER A 31 -3.018 9.312 -0.300 1.00 30.15 N ATOM 472 CA SER A 31 -4.042 9.517 -1.340 1.00 74.31 C ATOM 473 C SER A 31 -5.133 8.439 -1.255 1.00 24.10 C ATOM 474 O SER A 31 -4.942 7.383 -0.636 1.00 73.31 O ATOM 475 CB SER A 31 -3.381 9.497 -2.743 1.00 0.01 C ATOM 476 OG SER A 31 -4.316 9.734 -3.789 1.00 74.42 O ATOM 0 H SER A 31 -3.003 8.365 0.079 1.00 30.15 H new ATOM 0 HA SER A 31 -4.509 10.488 -1.177 1.00 74.31 H new ATOM 0 HB2 SER A 31 -2.597 10.253 -2.783 1.00 0.01 H new ATOM 0 HB3 SER A 31 -2.901 8.531 -2.901 1.00 0.01 H new ATOM 0 HG SER A 31 -3.853 9.714 -4.652 1.00 74.42 H new ATOM 482 N ASN A 32 -6.279 8.735 -1.886 1.00 25.23 N ATOM 483 CA ASN A 32 -7.411 7.805 -2.034 1.00 42.53 C ATOM 484 C ASN A 32 -7.571 7.419 -3.509 1.00 61.00 C ATOM 485 O ASN A 32 -7.714 6.235 -3.855 1.00 72.30 O ATOM 486 CB ASN A 32 -8.707 8.465 -1.488 1.00 71.55 C ATOM 487 CG ASN A 32 -9.972 7.649 -1.771 1.00 42.12 C ATOM 488 OD1 ASN A 32 -10.701 7.904 -2.736 1.00 71.21 O ATOM 489 ND2 ASN A 32 -10.220 6.640 -0.962 1.00 71.23 N ATOM 0 H ASN A 32 -6.449 9.644 -2.316 1.00 25.23 H new ATOM 0 HA ASN A 32 -7.220 6.899 -1.459 1.00 42.53 H new ATOM 0 HB2 ASN A 32 -8.608 8.606 -0.412 1.00 71.55 H new ATOM 0 HB3 ASN A 32 -8.816 9.455 -1.931 1.00 71.55 H new ATOM 0 HD21 ASN A 32 -11.032 6.044 -1.124 1.00 71.23 H new ATOM 0 HD22 ASN A 32 -9.600 6.454 -0.174 1.00 71.23 H new ATOM 496 N ASP A 33 -7.541 8.450 -4.361 1.00 1.14 N ATOM 497 CA ASP A 33 -7.691 8.333 -5.819 1.00 60.22 C ATOM 498 C ASP A 33 -6.449 7.658 -6.453 1.00 52.22 C ATOM 499 O ASP A 33 -5.408 8.287 -6.668 1.00 25.12 O ATOM 500 CB ASP A 33 -8.016 9.732 -6.443 1.00 63.54 C ATOM 501 CG ASP A 33 -7.048 10.884 -6.057 1.00 33.51 C ATOM 502 OD1 ASP A 33 -6.842 11.136 -4.850 1.00 64.11 O ATOM 503 OD2 ASP A 33 -6.551 11.590 -6.953 1.00 51.12 O ATOM 0 H ASP A 33 -7.409 9.412 -4.050 1.00 1.14 H new ATOM 0 HA ASP A 33 -8.536 7.681 -6.042 1.00 60.22 H new ATOM 0 HB2 ASP A 33 -8.019 9.633 -7.529 1.00 63.54 H new ATOM 0 HB3 ASP A 33 -9.026 10.016 -6.146 1.00 63.54 H new ATOM 508 N LYS A 34 -6.590 6.338 -6.712 1.00 53.53 N ATOM 509 CA LYS A 34 -5.490 5.452 -7.150 1.00 1.42 C ATOM 510 C LYS A 34 -4.935 5.806 -8.533 1.00 44.45 C ATOM 511 O LYS A 34 -3.757 5.613 -8.773 1.00 23.44 O ATOM 512 CB LYS A 34 -5.945 3.967 -7.132 1.00 4.52 C ATOM 513 CG LYS A 34 -6.947 3.563 -8.240 1.00 1.51 C ATOM 514 CD LYS A 34 -7.434 2.110 -8.106 1.00 73.23 C ATOM 515 CE LYS A 34 -8.174 1.869 -6.783 1.00 43.00 C ATOM 516 NZ LYS A 34 -9.384 2.715 -6.645 1.00 24.42 N ATOM 0 H LYS A 34 -7.483 5.853 -6.621 1.00 53.53 H new ATOM 0 HA LYS A 34 -4.681 5.603 -6.436 1.00 1.42 H new ATOM 0 HB2 LYS A 34 -5.062 3.334 -7.217 1.00 4.52 H new ATOM 0 HB3 LYS A 34 -6.397 3.756 -6.163 1.00 4.52 H new ATOM 0 HG2 LYS A 34 -7.806 4.233 -8.208 1.00 1.51 H new ATOM 0 HG3 LYS A 34 -6.476 3.695 -9.214 1.00 1.51 H new ATOM 0 HD2 LYS A 34 -8.095 1.871 -8.939 1.00 73.23 H new ATOM 0 HD3 LYS A 34 -6.581 1.435 -8.172 1.00 73.23 H new ATOM 0 HE2 LYS A 34 -8.460 0.819 -6.717 1.00 43.00 H new ATOM 0 HE3 LYS A 34 -7.498 2.069 -5.951 1.00 43.00 H new ATOM 0 HZ1 LYS A 34 -9.920 2.420 -5.804 1.00 24.42 H new ATOM 0 HZ2 LYS A 34 -9.102 3.711 -6.544 1.00 24.42 H new ATOM 0 HZ3 LYS A 34 -9.981 2.608 -7.490 1.00 24.42 H new ATOM 530 N LYS A 35 -5.795 6.326 -9.425 1.00 31.12 N ATOM 531 CA LYS A 35 -5.416 6.613 -10.829 1.00 72.45 C ATOM 532 C LYS A 35 -4.422 7.794 -10.906 1.00 0.22 C ATOM 533 O LYS A 35 -3.666 7.913 -11.877 1.00 53.14 O ATOM 534 CB LYS A 35 -6.678 6.854 -11.699 1.00 42.44 C ATOM 535 CG LYS A 35 -7.597 5.612 -11.817 1.00 13.40 C ATOM 536 CD LYS A 35 -8.817 5.808 -12.755 1.00 54.40 C ATOM 537 CE LYS A 35 -9.821 6.886 -12.275 1.00 51.40 C ATOM 538 NZ LYS A 35 -9.422 8.280 -12.633 1.00 41.11 N ATOM 0 H LYS A 35 -6.763 6.559 -9.202 1.00 31.12 H new ATOM 0 HA LYS A 35 -4.904 5.740 -11.234 1.00 72.45 H new ATOM 0 HB2 LYS A 35 -7.250 7.679 -11.274 1.00 42.44 H new ATOM 0 HB3 LYS A 35 -6.367 7.162 -12.697 1.00 42.44 H new ATOM 0 HG2 LYS A 35 -7.006 4.771 -12.179 1.00 13.40 H new ATOM 0 HG3 LYS A 35 -7.957 5.345 -10.823 1.00 13.40 H new ATOM 0 HD2 LYS A 35 -8.458 6.079 -13.748 1.00 54.40 H new ATOM 0 HD3 LYS A 35 -9.341 4.858 -12.854 1.00 54.40 H new ATOM 0 HE2 LYS A 35 -10.800 6.676 -12.706 1.00 51.40 H new ATOM 0 HE3 LYS A 35 -9.927 6.815 -11.193 1.00 51.40 H new ATOM 0 HZ1 LYS A 35 -9.360 8.856 -11.769 1.00 41.11 H new ATOM 0 HZ2 LYS A 35 -8.496 8.265 -13.106 1.00 41.11 H new ATOM 0 HZ3 LYS A 35 -10.131 8.691 -13.273 1.00 41.11 H new ATOM 552 N GLU A 36 -4.421 8.635 -9.856 1.00 25.01 N ATOM 553 CA GLU A 36 -3.418 9.694 -9.659 1.00 64.13 C ATOM 554 C GLU A 36 -2.030 9.061 -9.377 1.00 62.22 C ATOM 555 O GLU A 36 -1.005 9.482 -9.926 1.00 44.21 O ATOM 556 CB GLU A 36 -3.849 10.593 -8.464 1.00 55.12 C ATOM 557 CG GLU A 36 -2.992 11.853 -8.213 1.00 33.23 C ATOM 558 CD GLU A 36 -3.163 12.938 -9.297 1.00 44.21 C ATOM 559 OE1 GLU A 36 -2.427 12.914 -10.317 1.00 1.42 O ATOM 560 OE2 GLU A 36 -4.039 13.820 -9.141 1.00 34.22 O ATOM 0 H GLU A 36 -5.122 8.597 -9.116 1.00 25.01 H new ATOM 0 HA GLU A 36 -3.348 10.302 -10.561 1.00 64.13 H new ATOM 0 HB2 GLU A 36 -4.880 10.907 -8.626 1.00 55.12 H new ATOM 0 HB3 GLU A 36 -3.839 9.986 -7.558 1.00 55.12 H new ATOM 0 HG2 GLU A 36 -3.255 12.275 -7.243 1.00 33.23 H new ATOM 0 HG3 GLU A 36 -1.942 11.565 -8.161 1.00 33.23 H new ATOM 567 N ILE A 37 -2.038 8.030 -8.519 1.00 1.04 N ATOM 568 CA ILE A 37 -0.826 7.343 -8.026 1.00 55.31 C ATOM 569 C ILE A 37 -0.250 6.369 -9.081 1.00 75.13 C ATOM 570 O ILE A 37 0.973 6.222 -9.201 1.00 13.32 O ATOM 571 CB ILE A 37 -1.168 6.585 -6.690 1.00 24.32 C ATOM 572 CG1 ILE A 37 -1.772 7.578 -5.640 1.00 60.22 C ATOM 573 CG2 ILE A 37 0.054 5.842 -6.120 1.00 73.32 C ATOM 574 CD1 ILE A 37 -0.949 8.844 -5.392 1.00 65.44 C ATOM 0 H ILE A 37 -2.901 7.640 -8.139 1.00 1.04 H new ATOM 0 HA ILE A 37 -0.057 8.091 -7.833 1.00 55.31 H new ATOM 0 HB ILE A 37 -1.917 5.827 -6.919 1.00 24.32 H new ATOM 0 HG12 ILE A 37 -2.768 7.871 -5.972 1.00 60.22 H new ATOM 0 HG13 ILE A 37 -1.893 7.051 -4.693 1.00 60.22 H new ATOM 0 HG21 ILE A 37 -0.227 5.333 -5.198 1.00 73.32 H new ATOM 0 HG22 ILE A 37 0.406 5.109 -6.846 1.00 73.32 H new ATOM 0 HG23 ILE A 37 0.850 6.557 -5.911 1.00 73.32 H new ATOM 0 HD11 ILE A 37 -1.451 9.465 -4.650 1.00 65.44 H new ATOM 0 HD12 ILE A 37 0.040 8.569 -5.025 1.00 65.44 H new ATOM 0 HD13 ILE A 37 -0.849 9.401 -6.324 1.00 65.44 H new ATOM 586 N ILE A 38 -1.157 5.736 -9.850 1.00 51.41 N ATOM 587 CA ILE A 38 -0.822 4.842 -10.978 1.00 1.43 C ATOM 588 C ILE A 38 0.005 5.615 -12.027 1.00 10.34 C ATOM 589 O ILE A 38 0.925 5.063 -12.634 1.00 55.24 O ATOM 590 CB ILE A 38 -2.138 4.225 -11.618 1.00 71.14 C ATOM 591 CG1 ILE A 38 -2.800 3.198 -10.633 1.00 73.33 C ATOM 592 CG2 ILE A 38 -1.880 3.577 -13.004 1.00 51.45 C ATOM 593 CD1 ILE A 38 -4.133 2.623 -11.099 1.00 55.11 C ATOM 0 H ILE A 38 -2.162 5.833 -9.703 1.00 51.41 H new ATOM 0 HA ILE A 38 -0.221 4.012 -10.608 1.00 1.43 H new ATOM 0 HB ILE A 38 -2.830 5.050 -11.784 1.00 71.14 H new ATOM 0 HG12 ILE A 38 -2.104 2.375 -10.469 1.00 73.33 H new ATOM 0 HG13 ILE A 38 -2.949 3.686 -9.670 1.00 73.33 H new ATOM 0 HG21 ILE A 38 -2.813 3.171 -13.395 1.00 51.45 H new ATOM 0 HG22 ILE A 38 -1.495 4.330 -13.692 1.00 51.45 H new ATOM 0 HG23 ILE A 38 -1.150 2.774 -12.900 1.00 51.45 H new ATOM 0 HD11 ILE A 38 -4.509 1.925 -10.351 1.00 55.11 H new ATOM 0 HD12 ILE A 38 -4.851 3.432 -11.234 1.00 55.11 H new ATOM 0 HD13 ILE A 38 -3.993 2.101 -12.045 1.00 55.11 H new ATOM 605 N ASP A 39 -0.315 6.915 -12.176 1.00 50.11 N ATOM 606 CA ASP A 39 0.383 7.828 -13.096 1.00 2.31 C ATOM 607 C ASP A 39 1.857 8.003 -12.680 1.00 52.31 C ATOM 608 O ASP A 39 2.741 8.070 -13.529 1.00 63.44 O ATOM 609 CB ASP A 39 -0.338 9.203 -13.145 1.00 73.21 C ATOM 610 CG ASP A 39 0.123 10.074 -14.326 1.00 4.24 C ATOM 611 OD1 ASP A 39 0.931 11.003 -14.130 1.00 71.13 O ATOM 612 OD2 ASP A 39 -0.316 9.809 -15.469 1.00 23.34 O ATOM 0 H ASP A 39 -1.071 7.362 -11.657 1.00 50.11 H new ATOM 0 HA ASP A 39 0.362 7.390 -14.094 1.00 2.31 H new ATOM 0 HB2 ASP A 39 -1.414 9.042 -13.216 1.00 73.21 H new ATOM 0 HB3 ASP A 39 -0.156 9.737 -12.212 1.00 73.21 H new ATOM 617 N ARG A 40 2.107 8.033 -11.361 1.00 61.04 N ATOM 618 CA ARG A 40 3.465 8.206 -10.794 1.00 14.25 C ATOM 619 C ARG A 40 4.243 6.878 -10.773 1.00 71.11 C ATOM 620 O ARG A 40 5.481 6.874 -10.748 1.00 23.32 O ATOM 621 CB ARG A 40 3.373 8.840 -9.387 1.00 33.12 C ATOM 622 CG ARG A 40 2.748 10.246 -9.410 1.00 4.11 C ATOM 623 CD ARG A 40 2.533 10.862 -8.012 1.00 54.12 C ATOM 624 NE ARG A 40 2.129 12.284 -8.085 1.00 14.42 N ATOM 625 CZ ARG A 40 0.984 12.757 -8.622 1.00 5.00 C ATOM 626 NH1 ARG A 40 0.085 11.949 -9.162 1.00 40.53 N ATOM 627 NH2 ARG A 40 0.750 14.060 -8.606 1.00 50.22 N ATOM 0 H ARG A 40 1.378 7.939 -10.654 1.00 61.04 H new ATOM 0 HA ARG A 40 4.025 8.884 -11.438 1.00 14.25 H new ATOM 0 HB2 ARG A 40 2.780 8.194 -8.740 1.00 33.12 H new ATOM 0 HB3 ARG A 40 4.371 8.897 -8.953 1.00 33.12 H new ATOM 0 HG2 ARG A 40 3.389 10.908 -9.992 1.00 4.11 H new ATOM 0 HG3 ARG A 40 1.789 10.197 -9.925 1.00 4.11 H new ATOM 0 HD2 ARG A 40 1.768 10.295 -7.481 1.00 54.12 H new ATOM 0 HD3 ARG A 40 3.453 10.776 -7.433 1.00 54.12 H new ATOM 0 HE ARG A 40 2.775 12.970 -7.694 1.00 14.42 H new ATOM 0 HH11 ARG A 40 0.249 10.942 -9.179 1.00 40.53 H new ATOM 0 HH12 ARG A 40 -0.772 12.333 -9.561 1.00 40.53 H new ATOM 0 HH21 ARG A 40 1.431 14.695 -8.191 1.00 50.22 H new ATOM 0 HH22 ARG A 40 -0.112 14.428 -9.009 1.00 50.22 H new ATOM 641 N LEU A 41 3.498 5.757 -10.771 1.00 71.41 N ATOM 642 CA LEU A 41 4.060 4.411 -11.006 1.00 75.55 C ATOM 643 C LEU A 41 4.482 4.261 -12.492 1.00 61.42 C ATOM 644 O LEU A 41 5.449 3.557 -12.801 1.00 32.31 O ATOM 645 CB LEU A 41 3.022 3.324 -10.609 1.00 13.13 C ATOM 646 CG LEU A 41 2.629 3.254 -9.094 1.00 52.24 C ATOM 647 CD1 LEU A 41 1.477 2.253 -8.854 1.00 21.43 C ATOM 648 CD2 LEU A 41 3.849 2.910 -8.215 1.00 21.42 C ATOM 0 H LEU A 41 2.491 5.757 -10.607 1.00 71.41 H new ATOM 0 HA LEU A 41 4.947 4.279 -10.386 1.00 75.55 H new ATOM 0 HB2 LEU A 41 2.115 3.490 -11.190 1.00 13.13 H new ATOM 0 HB3 LEU A 41 3.416 2.352 -10.905 1.00 13.13 H new ATOM 0 HG LEU A 41 2.275 4.243 -8.805 1.00 52.24 H new ATOM 0 HD11 LEU A 41 1.230 2.230 -7.793 1.00 21.43 H new ATOM 0 HD12 LEU A 41 0.601 2.563 -9.424 1.00 21.43 H new ATOM 0 HD13 LEU A 41 1.786 1.259 -9.176 1.00 21.43 H new ATOM 0 HD21 LEU A 41 3.544 2.869 -7.169 1.00 21.42 H new ATOM 0 HD22 LEU A 41 4.252 1.942 -8.514 1.00 21.42 H new ATOM 0 HD23 LEU A 41 4.615 3.676 -8.340 1.00 21.42 H new ATOM 660 N LYS A 42 3.739 4.951 -13.395 1.00 15.01 N ATOM 661 CA LYS A 42 4.078 5.065 -14.840 1.00 14.25 C ATOM 662 C LYS A 42 5.323 5.950 -15.040 1.00 74.53 C ATOM 663 O LYS A 42 6.047 5.797 -16.019 1.00 31.33 O ATOM 664 CB LYS A 42 2.883 5.669 -15.632 1.00 41.40 C ATOM 665 CG LYS A 42 1.631 4.773 -15.711 1.00 43.43 C ATOM 666 CD LYS A 42 0.377 5.528 -16.230 1.00 61.12 C ATOM 667 CE LYS A 42 0.584 6.175 -17.608 1.00 33.31 C ATOM 668 NZ LYS A 42 -0.600 6.968 -18.044 1.00 41.42 N ATOM 0 H LYS A 42 2.884 5.446 -13.142 1.00 15.01 H new ATOM 0 HA LYS A 42 4.290 4.064 -15.215 1.00 14.25 H new ATOM 0 HB2 LYS A 42 2.604 6.617 -15.171 1.00 41.40 H new ATOM 0 HB3 LYS A 42 3.215 5.893 -16.646 1.00 41.40 H new ATOM 0 HG2 LYS A 42 1.837 3.927 -16.367 1.00 43.43 H new ATOM 0 HG3 LYS A 42 1.420 4.365 -14.722 1.00 43.43 H new ATOM 0 HD2 LYS A 42 -0.460 4.832 -16.285 1.00 61.12 H new ATOM 0 HD3 LYS A 42 0.103 6.300 -15.511 1.00 61.12 H new ATOM 0 HE2 LYS A 42 1.460 6.823 -17.575 1.00 33.31 H new ATOM 0 HE3 LYS A 42 0.789 5.398 -18.345 1.00 33.31 H new ATOM 0 HZ1 LYS A 42 -0.414 7.385 -18.978 1.00 41.42 H new ATOM 0 HZ2 LYS A 42 -1.432 6.347 -18.102 1.00 41.42 H new ATOM 0 HZ3 LYS A 42 -0.782 7.727 -17.356 1.00 41.42 H new ATOM 682 N ARG A 43 5.523 6.906 -14.118 1.00 42.33 N ATOM 683 CA ARG A 43 6.724 7.769 -14.097 1.00 54.54 C ATOM 684 C ARG A 43 7.935 7.020 -13.498 1.00 62.11 C ATOM 685 O ARG A 43 9.074 7.478 -13.637 1.00 11.02 O ATOM 686 CB ARG A 43 6.449 9.054 -13.265 1.00 54.21 C ATOM 687 CG ARG A 43 5.267 9.918 -13.757 1.00 33.11 C ATOM 688 CD ARG A 43 4.956 11.089 -12.801 1.00 5.53 C ATOM 689 NE ARG A 43 3.685 11.764 -13.121 1.00 65.41 N ATOM 690 CZ ARG A 43 3.375 13.033 -12.793 1.00 71.41 C ATOM 691 NH1 ARG A 43 4.244 13.805 -12.134 1.00 41.25 N ATOM 692 NH2 ARG A 43 2.180 13.513 -13.110 1.00 61.25 N ATOM 0 H ARG A 43 4.862 7.105 -13.367 1.00 42.33 H new ATOM 0 HA ARG A 43 6.956 8.043 -15.126 1.00 54.54 H new ATOM 0 HB2 ARG A 43 6.260 8.764 -12.231 1.00 54.21 H new ATOM 0 HB3 ARG A 43 7.350 9.667 -13.265 1.00 54.21 H new ATOM 0 HG2 ARG A 43 5.496 10.312 -14.747 1.00 33.11 H new ATOM 0 HG3 ARG A 43 4.381 9.292 -13.860 1.00 33.11 H new ATOM 0 HD2 ARG A 43 4.917 10.716 -11.778 1.00 5.53 H new ATOM 0 HD3 ARG A 43 5.769 11.814 -12.845 1.00 5.53 H new ATOM 0 HE ARG A 43 2.984 11.227 -13.632 1.00 65.41 H new ATOM 0 HH11 ARG A 43 5.158 13.435 -11.872 1.00 41.25 H new ATOM 0 HH12 ARG A 43 3.994 14.764 -11.893 1.00 41.25 H new ATOM 0 HH21 ARG A 43 1.506 12.923 -13.597 1.00 61.25 H new ATOM 0 HH22 ARG A 43 1.935 14.473 -12.866 1.00 61.25 H new ATOM 706 N ARG A 44 7.660 5.882 -12.804 1.00 23.50 N ATOM 707 CA ARG A 44 8.677 5.087 -12.056 1.00 22.14 C ATOM 708 C ARG A 44 9.340 5.939 -10.940 1.00 21.22 C ATOM 709 O ARG A 44 10.441 5.630 -10.483 1.00 2.24 O ATOM 710 CB ARG A 44 9.754 4.453 -13.016 1.00 42.11 C ATOM 711 CG ARG A 44 9.342 3.137 -13.734 1.00 14.14 C ATOM 712 CD ARG A 44 8.192 3.292 -14.743 1.00 15.23 C ATOM 713 NE ARG A 44 8.547 4.208 -15.840 1.00 4.55 N ATOM 714 CZ ARG A 44 8.256 4.025 -17.141 1.00 1.01 C ATOM 715 NH1 ARG A 44 7.590 2.941 -17.563 1.00 14.40 N ATOM 716 NH2 ARG A 44 8.620 4.953 -18.017 1.00 74.24 N ATOM 0 H ARG A 44 6.721 5.487 -12.747 1.00 23.50 H new ATOM 0 HA ARG A 44 8.154 4.259 -11.578 1.00 22.14 H new ATOM 0 HB2 ARG A 44 10.013 5.191 -13.775 1.00 42.11 H new ATOM 0 HB3 ARG A 44 10.657 4.260 -12.438 1.00 42.11 H new ATOM 0 HG2 ARG A 44 10.212 2.734 -14.253 1.00 14.14 H new ATOM 0 HG3 ARG A 44 9.052 2.404 -12.982 1.00 14.14 H new ATOM 0 HD2 ARG A 44 7.935 2.316 -15.154 1.00 15.23 H new ATOM 0 HD3 ARG A 44 7.306 3.666 -14.230 1.00 15.23 H new ATOM 0 HE ARG A 44 9.058 5.055 -15.592 1.00 4.55 H new ATOM 0 HH11 ARG A 44 7.292 2.232 -16.893 1.00 14.40 H new ATOM 0 HH12 ARG A 44 7.381 2.825 -18.555 1.00 14.40 H new ATOM 0 HH21 ARG A 44 9.112 5.788 -17.700 1.00 74.24 H new ATOM 0 HH22 ARG A 44 8.408 4.831 -19.007 1.00 74.24 H new ATOM 730 N ASN A 45 8.623 6.990 -10.474 1.00 25.25 N ATOM 731 CA ASN A 45 9.157 7.983 -9.507 1.00 44.22 C ATOM 732 C ASN A 45 8.702 7.699 -8.059 1.00 11.02 C ATOM 733 O ASN A 45 8.892 8.541 -7.167 1.00 71.43 O ATOM 734 CB ASN A 45 8.766 9.423 -9.947 1.00 71.44 C ATOM 735 CG ASN A 45 9.517 9.886 -11.201 1.00 52.41 C ATOM 736 OD1 ASN A 45 10.626 9.437 -11.487 1.00 52.12 O ATOM 737 ND2 ASN A 45 8.939 10.811 -11.943 1.00 31.42 N ATOM 0 H ASN A 45 7.660 7.174 -10.756 1.00 25.25 H new ATOM 0 HA ASN A 45 10.243 7.895 -9.512 1.00 44.22 H new ATOM 0 HB2 ASN A 45 7.693 9.461 -10.137 1.00 71.44 H new ATOM 0 HB3 ASN A 45 8.970 10.116 -9.130 1.00 71.44 H new ATOM 0 HD21 ASN A 45 9.412 11.168 -12.773 1.00 31.42 H new ATOM 0 HD22 ASN A 45 8.019 11.169 -11.687 1.00 31.42 H new ATOM 744 N ILE A 46 8.102 6.519 -7.836 1.00 65.42 N ATOM 745 CA ILE A 46 7.743 6.024 -6.488 1.00 63.03 C ATOM 746 C ILE A 46 8.699 4.874 -6.122 1.00 31.41 C ATOM 747 O ILE A 46 8.889 3.944 -6.917 1.00 53.15 O ATOM 748 CB ILE A 46 6.241 5.533 -6.427 1.00 62.03 C ATOM 749 CG1 ILE A 46 5.265 6.694 -6.807 1.00 2.14 C ATOM 750 CG2 ILE A 46 5.892 4.957 -5.027 1.00 40.44 C ATOM 751 CD1 ILE A 46 3.786 6.319 -6.806 1.00 51.42 C ATOM 0 H ILE A 46 7.849 5.875 -8.586 1.00 65.42 H new ATOM 0 HA ILE A 46 7.840 6.840 -5.772 1.00 63.03 H new ATOM 0 HB ILE A 46 6.122 4.731 -7.155 1.00 62.03 H new ATOM 0 HG12 ILE A 46 5.416 7.518 -6.110 1.00 2.14 H new ATOM 0 HG13 ILE A 46 5.530 7.062 -7.798 1.00 2.14 H new ATOM 0 HG21 ILE A 46 4.853 4.628 -5.018 1.00 40.44 H new ATOM 0 HG22 ILE A 46 6.543 4.110 -4.810 1.00 40.44 H new ATOM 0 HG23 ILE A 46 6.035 5.728 -4.270 1.00 40.44 H new ATOM 0 HD11 ILE A 46 3.190 7.189 -7.082 1.00 51.42 H new ATOM 0 HD12 ILE A 46 3.613 5.518 -7.525 1.00 51.42 H new ATOM 0 HD13 ILE A 46 3.497 5.982 -5.811 1.00 51.42 H new ATOM 763 N ASP A 47 9.306 4.956 -4.922 1.00 71.14 N ATOM 764 CA ASP A 47 10.285 3.960 -4.448 1.00 64.44 C ATOM 765 C ASP A 47 9.559 2.766 -3.819 1.00 54.33 C ATOM 766 O ASP A 47 9.867 1.596 -4.099 1.00 15.11 O ATOM 767 CB ASP A 47 11.236 4.616 -3.420 1.00 53.41 C ATOM 768 CG ASP A 47 12.313 3.663 -2.855 1.00 22.45 C ATOM 769 OD1 ASP A 47 12.079 3.030 -1.802 1.00 1.14 O ATOM 770 OD2 ASP A 47 13.407 3.553 -3.450 1.00 35.21 O ATOM 0 H ASP A 47 9.132 5.710 -4.258 1.00 71.14 H new ATOM 0 HA ASP A 47 10.871 3.601 -5.294 1.00 64.44 H new ATOM 0 HB2 ASP A 47 11.730 5.466 -3.890 1.00 53.41 H new ATOM 0 HB3 ASP A 47 10.644 5.008 -2.593 1.00 53.41 H new ATOM 775 N MET A 48 8.595 3.084 -2.950 1.00 25.31 N ATOM 776 CA MET A 48 7.794 2.090 -2.243 1.00 25.42 C ATOM 777 C MET A 48 6.366 2.624 -2.058 1.00 61.24 C ATOM 778 O MET A 48 6.161 3.806 -1.760 1.00 13.32 O ATOM 779 CB MET A 48 8.481 1.702 -0.895 1.00 63.42 C ATOM 780 CG MET A 48 8.557 2.805 0.178 1.00 65.14 C ATOM 781 SD MET A 48 9.853 2.523 1.418 1.00 41.43 S ATOM 782 CE MET A 48 9.608 0.815 1.912 1.00 51.35 C ATOM 0 H MET A 48 8.350 4.047 -2.718 1.00 25.31 H new ATOM 0 HA MET A 48 7.725 1.174 -2.829 1.00 25.42 H new ATOM 0 HB2 MET A 48 7.947 0.851 -0.472 1.00 63.42 H new ATOM 0 HB3 MET A 48 9.495 1.367 -1.113 1.00 63.42 H new ATOM 0 HG2 MET A 48 8.735 3.763 -0.310 1.00 65.14 H new ATOM 0 HG3 MET A 48 7.593 2.878 0.682 1.00 65.14 H new ATOM 0 HE1 MET A 48 10.380 0.528 2.626 1.00 51.35 H new ATOM 0 HE2 MET A 48 8.628 0.707 2.376 1.00 51.35 H new ATOM 0 HE3 MET A 48 9.667 0.171 1.035 1.00 51.35 H new ATOM 792 N ILE A 49 5.383 1.750 -2.281 1.00 22.44 N ATOM 793 CA ILE A 49 3.955 2.096 -2.249 1.00 32.32 C ATOM 794 C ILE A 49 3.208 1.078 -1.376 1.00 54.14 C ATOM 795 O ILE A 49 3.582 -0.097 -1.312 1.00 4.00 O ATOM 796 CB ILE A 49 3.336 2.155 -3.707 1.00 71.03 C ATOM 797 CG1 ILE A 49 1.818 2.542 -3.666 1.00 1.14 C ATOM 798 CG2 ILE A 49 3.569 0.830 -4.473 1.00 40.35 C ATOM 799 CD1 ILE A 49 1.132 2.614 -5.019 1.00 74.12 C ATOM 0 H ILE A 49 5.556 0.767 -2.492 1.00 22.44 H new ATOM 0 HA ILE A 49 3.846 3.091 -1.818 1.00 32.32 H new ATOM 0 HB ILE A 49 3.856 2.940 -4.256 1.00 71.03 H new ATOM 0 HG12 ILE A 49 1.291 1.815 -3.048 1.00 1.14 H new ATOM 0 HG13 ILE A 49 1.719 3.510 -3.175 1.00 1.14 H new ATOM 0 HG21 ILE A 49 3.132 0.904 -5.469 1.00 40.35 H new ATOM 0 HG22 ILE A 49 4.639 0.643 -4.559 1.00 40.35 H new ATOM 0 HG23 ILE A 49 3.100 0.009 -3.931 1.00 40.35 H new ATOM 0 HD11 ILE A 49 0.086 2.889 -4.882 1.00 74.12 H new ATOM 0 HD12 ILE A 49 1.626 3.363 -5.638 1.00 74.12 H new ATOM 0 HD13 ILE A 49 1.191 1.642 -5.509 1.00 74.12 H new ATOM 811 N ILE A 50 2.179 1.559 -0.677 1.00 52.43 N ATOM 812 CA ILE A 50 1.316 0.756 0.201 1.00 22.24 C ATOM 813 C ILE A 50 -0.129 0.935 -0.267 1.00 71.33 C ATOM 814 O ILE A 50 -0.547 2.062 -0.511 1.00 43.13 O ATOM 815 CB ILE A 50 1.461 1.226 1.696 1.00 43.40 C ATOM 816 CG1 ILE A 50 2.964 1.203 2.126 1.00 14.23 C ATOM 817 CG2 ILE A 50 0.583 0.371 2.641 1.00 13.42 C ATOM 818 CD1 ILE A 50 3.256 1.787 3.492 1.00 42.35 C ATOM 0 H ILE A 50 1.913 2.543 -0.704 1.00 52.43 H new ATOM 0 HA ILE A 50 1.606 -0.294 0.150 1.00 22.24 H new ATOM 0 HB ILE A 50 1.103 2.253 1.772 1.00 43.40 H new ATOM 0 HG12 ILE A 50 3.314 0.171 2.108 1.00 14.23 H new ATOM 0 HG13 ILE A 50 3.545 1.750 1.384 1.00 14.23 H new ATOM 0 HG21 ILE A 50 0.705 0.720 3.666 1.00 13.42 H new ATOM 0 HG22 ILE A 50 -0.463 0.463 2.348 1.00 13.42 H new ATOM 0 HG23 ILE A 50 0.888 -0.673 2.575 1.00 13.42 H new ATOM 0 HD11 ILE A 50 4.325 1.723 3.694 1.00 42.35 H new ATOM 0 HD12 ILE A 50 2.944 2.831 3.516 1.00 42.35 H new ATOM 0 HD13 ILE A 50 2.709 1.228 4.251 1.00 42.35 H new ATOM 830 N VAL A 51 -0.877 -0.168 -0.422 1.00 5.25 N ATOM 831 CA VAL A 51 -2.285 -0.138 -0.856 1.00 74.23 C ATOM 832 C VAL A 51 -3.144 -0.865 0.187 1.00 13.31 C ATOM 833 O VAL A 51 -3.036 -2.085 0.334 1.00 14.45 O ATOM 834 CB VAL A 51 -2.466 -0.803 -2.280 1.00 25.33 C ATOM 835 CG1 VAL A 51 -3.944 -0.778 -2.745 1.00 32.12 C ATOM 836 CG2 VAL A 51 -1.546 -0.125 -3.320 1.00 34.42 C ATOM 0 H VAL A 51 -0.523 -1.109 -0.250 1.00 5.25 H new ATOM 0 HA VAL A 51 -2.604 0.901 -0.940 1.00 74.23 H new ATOM 0 HB VAL A 51 -2.174 -1.850 -2.193 1.00 25.33 H new ATOM 0 HG11 VAL A 51 -4.024 -1.244 -3.727 1.00 32.12 H new ATOM 0 HG12 VAL A 51 -4.559 -1.326 -2.032 1.00 32.12 H new ATOM 0 HG13 VAL A 51 -4.289 0.254 -2.804 1.00 32.12 H new ATOM 0 HG21 VAL A 51 -1.686 -0.597 -4.292 1.00 34.42 H new ATOM 0 HG22 VAL A 51 -1.796 0.934 -3.391 1.00 34.42 H new ATOM 0 HG23 VAL A 51 -0.506 -0.232 -3.011 1.00 34.42 H new ATOM 846 N LYS A 52 -3.968 -0.106 0.930 1.00 74.20 N ATOM 847 CA LYS A 52 -4.925 -0.663 1.894 1.00 11.15 C ATOM 848 C LYS A 52 -6.349 -0.509 1.337 1.00 24.12 C ATOM 849 O LYS A 52 -6.893 0.591 1.255 1.00 1.20 O ATOM 850 CB LYS A 52 -4.775 0.011 3.287 1.00 33.22 C ATOM 851 CG LYS A 52 -5.888 -0.323 4.316 1.00 71.14 C ATOM 852 CD LYS A 52 -5.991 -1.823 4.668 1.00 23.25 C ATOM 853 CE LYS A 52 -7.194 -2.125 5.572 1.00 24.21 C ATOM 854 NZ LYS A 52 -8.484 -1.843 4.897 1.00 44.42 N ATOM 0 H LYS A 52 -3.987 0.912 0.877 1.00 74.20 H new ATOM 0 HA LYS A 52 -4.718 -1.724 2.037 1.00 11.15 H new ATOM 0 HB2 LYS A 52 -3.814 -0.281 3.710 1.00 33.22 H new ATOM 0 HB3 LYS A 52 -4.747 1.092 3.147 1.00 33.22 H new ATOM 0 HG2 LYS A 52 -5.704 0.242 5.230 1.00 71.14 H new ATOM 0 HG3 LYS A 52 -6.846 0.013 3.920 1.00 71.14 H new ATOM 0 HD2 LYS A 52 -6.073 -2.405 3.750 1.00 23.25 H new ATOM 0 HD3 LYS A 52 -5.075 -2.141 5.166 1.00 23.25 H new ATOM 0 HE2 LYS A 52 -7.165 -3.172 5.875 1.00 24.21 H new ATOM 0 HE3 LYS A 52 -7.123 -1.528 6.481 1.00 24.21 H new ATOM 0 HZ1 LYS A 52 -9.144 -2.628 5.068 1.00 44.42 H new ATOM 0 HZ2 LYS A 52 -8.888 -0.962 5.274 1.00 44.42 H new ATOM 0 HZ3 LYS A 52 -8.326 -1.741 3.874 1.00 44.42 H new ATOM 868 N THR A 53 -6.909 -1.638 0.926 1.00 62.45 N ATOM 869 CA THR A 53 -8.301 -1.759 0.475 1.00 41.10 C ATOM 870 C THR A 53 -8.758 -3.202 0.794 1.00 64.31 C ATOM 871 O THR A 53 -8.158 -3.851 1.661 1.00 30.14 O ATOM 872 CB THR A 53 -8.444 -1.369 -1.053 1.00 43.22 C ATOM 873 OG1 THR A 53 -9.817 -1.422 -1.465 1.00 72.42 O ATOM 874 CG2 THR A 53 -7.598 -2.255 -1.982 1.00 51.42 C ATOM 0 H THR A 53 -6.400 -2.522 0.894 1.00 62.45 H new ATOM 0 HA THR A 53 -8.953 -1.059 0.998 1.00 41.10 H new ATOM 0 HB THR A 53 -8.068 -0.349 -1.140 1.00 43.22 H new ATOM 0 HG1 THR A 53 -9.884 -1.176 -2.411 1.00 72.42 H new ATOM 0 HG21 THR A 53 -7.739 -1.938 -3.015 1.00 51.42 H new ATOM 0 HG22 THR A 53 -6.545 -2.162 -1.714 1.00 51.42 H new ATOM 0 HG23 THR A 53 -7.909 -3.294 -1.876 1.00 51.42 H new ATOM 882 N GLU A 54 -9.832 -3.688 0.159 1.00 23.52 N ATOM 883 CA GLU A 54 -10.329 -5.066 0.359 1.00 15.02 C ATOM 884 C GLU A 54 -10.916 -5.583 -0.978 1.00 74.45 C ATOM 885 O GLU A 54 -11.870 -6.369 -1.008 1.00 3.10 O ATOM 886 CB GLU A 54 -11.384 -5.066 1.512 1.00 72.24 C ATOM 887 CG GLU A 54 -11.655 -6.436 2.179 1.00 41.22 C ATOM 888 CD GLU A 54 -12.892 -6.398 3.094 1.00 21.33 C ATOM 889 OE1 GLU A 54 -12.808 -5.848 4.212 1.00 42.33 O ATOM 890 OE2 GLU A 54 -13.967 -6.875 2.674 1.00 31.23 O ATOM 0 H GLU A 54 -10.382 -3.145 -0.506 1.00 23.52 H new ATOM 0 HA GLU A 54 -9.522 -5.738 0.652 1.00 15.02 H new ATOM 0 HB2 GLU A 54 -11.053 -4.368 2.281 1.00 72.24 H new ATOM 0 HB3 GLU A 54 -12.325 -4.683 1.117 1.00 72.24 H new ATOM 0 HG2 GLU A 54 -11.798 -7.193 1.408 1.00 41.22 H new ATOM 0 HG3 GLU A 54 -10.783 -6.735 2.761 1.00 41.22 H new ATOM 897 N ASP A 55 -10.313 -5.130 -2.093 1.00 23.42 N ATOM 898 CA ASP A 55 -10.734 -5.507 -3.459 1.00 15.41 C ATOM 899 C ASP A 55 -9.503 -5.910 -4.295 1.00 64.34 C ATOM 900 O ASP A 55 -8.658 -5.066 -4.616 1.00 60.50 O ATOM 901 CB ASP A 55 -11.504 -4.334 -4.129 1.00 23.51 C ATOM 902 CG ASP A 55 -11.854 -4.615 -5.603 1.00 1.32 C ATOM 903 OD1 ASP A 55 -12.663 -5.529 -5.866 1.00 25.21 O ATOM 904 OD2 ASP A 55 -11.309 -3.933 -6.497 1.00 3.14 O ATOM 0 H ASP A 55 -9.518 -4.491 -2.074 1.00 23.42 H new ATOM 0 HA ASP A 55 -11.407 -6.363 -3.403 1.00 15.41 H new ATOM 0 HB2 ASP A 55 -12.421 -4.143 -3.572 1.00 23.51 H new ATOM 0 HB3 ASP A 55 -10.900 -3.428 -4.070 1.00 23.51 H new ATOM 909 N LYS A 56 -9.441 -7.207 -4.656 1.00 51.14 N ATOM 910 CA LYS A 56 -8.300 -7.823 -5.370 1.00 4.22 C ATOM 911 C LYS A 56 -8.015 -7.143 -6.725 1.00 61.22 C ATOM 912 O LYS A 56 -6.870 -7.120 -7.178 1.00 63.42 O ATOM 913 CB LYS A 56 -8.585 -9.326 -5.627 1.00 41.42 C ATOM 914 CG LYS A 56 -8.905 -10.153 -4.365 1.00 4.11 C ATOM 915 CD LYS A 56 -9.282 -11.629 -4.664 1.00 75.23 C ATOM 916 CE LYS A 56 -10.660 -11.810 -5.350 1.00 73.44 C ATOM 917 NZ LYS A 56 -10.693 -11.362 -6.771 1.00 1.35 N ATOM 0 H LYS A 56 -10.192 -7.868 -4.458 1.00 51.14 H new ATOM 0 HA LYS A 56 -7.426 -7.696 -4.732 1.00 4.22 H new ATOM 0 HB2 LYS A 56 -9.423 -9.408 -6.319 1.00 41.42 H new ATOM 0 HB3 LYS A 56 -7.719 -9.765 -6.121 1.00 41.42 H new ATOM 0 HG2 LYS A 56 -8.041 -10.136 -3.701 1.00 4.11 H new ATOM 0 HG3 LYS A 56 -9.727 -9.679 -3.830 1.00 4.11 H new ATOM 0 HD2 LYS A 56 -8.513 -12.066 -5.300 1.00 75.23 H new ATOM 0 HD3 LYS A 56 -9.279 -12.189 -3.729 1.00 75.23 H new ATOM 0 HE2 LYS A 56 -10.942 -12.862 -5.305 1.00 73.44 H new ATOM 0 HE3 LYS A 56 -11.410 -11.255 -4.787 1.00 73.44 H new ATOM 0 HZ1 LYS A 56 -11.241 -12.041 -7.336 1.00 1.35 H new ATOM 0 HZ2 LYS A 56 -11.138 -10.424 -6.829 1.00 1.35 H new ATOM 0 HZ3 LYS A 56 -9.722 -11.308 -7.141 1.00 1.35 H new ATOM 931 N GLU A 57 -9.078 -6.624 -7.362 1.00 74.02 N ATOM 932 CA GLU A 57 -9.020 -6.063 -8.725 1.00 74.55 C ATOM 933 C GLU A 57 -8.229 -4.740 -8.737 1.00 31.33 C ATOM 934 O GLU A 57 -7.333 -4.544 -9.564 1.00 52.12 O ATOM 935 CB GLU A 57 -10.465 -5.841 -9.264 1.00 11.33 C ATOM 936 CG GLU A 57 -11.456 -6.999 -8.989 1.00 52.53 C ATOM 937 CD GLU A 57 -10.974 -8.378 -9.484 1.00 65.22 C ATOM 938 OE1 GLU A 57 -11.136 -8.680 -10.686 1.00 65.11 O ATOM 939 OE2 GLU A 57 -10.440 -9.173 -8.672 1.00 35.01 O ATOM 0 H GLU A 57 -10.008 -6.581 -6.945 1.00 74.02 H new ATOM 0 HA GLU A 57 -8.503 -6.770 -9.375 1.00 74.55 H new ATOM 0 HB2 GLU A 57 -10.865 -4.929 -8.821 1.00 11.33 H new ATOM 0 HB3 GLU A 57 -10.413 -5.676 -10.340 1.00 11.33 H new ATOM 0 HG2 GLU A 57 -11.642 -7.056 -7.916 1.00 52.53 H new ATOM 0 HG3 GLU A 57 -12.408 -6.767 -9.466 1.00 52.53 H new ATOM 946 N SER A 58 -8.571 -3.854 -7.787 1.00 22.42 N ATOM 947 CA SER A 58 -7.917 -2.549 -7.615 1.00 32.20 C ATOM 948 C SER A 58 -6.453 -2.718 -7.164 1.00 41.45 C ATOM 949 O SER A 58 -5.565 -1.992 -7.621 1.00 35.31 O ATOM 950 CB SER A 58 -8.698 -1.719 -6.584 1.00 52.11 C ATOM 951 OG SER A 58 -8.863 -2.421 -5.364 1.00 60.32 O ATOM 0 H SER A 58 -9.316 -4.026 -7.112 1.00 22.42 H new ATOM 0 HA SER A 58 -7.913 -2.031 -8.574 1.00 32.20 H new ATOM 0 HB2 SER A 58 -8.172 -0.783 -6.397 1.00 52.11 H new ATOM 0 HB3 SER A 58 -9.676 -1.460 -6.990 1.00 52.11 H new ATOM 0 HG SER A 58 -8.716 -3.378 -5.515 1.00 60.32 H new ATOM 957 N ILE A 59 -6.245 -3.692 -6.251 1.00 74.33 N ATOM 958 CA ILE A 59 -4.911 -4.132 -5.801 1.00 1.54 C ATOM 959 C ILE A 59 -4.041 -4.537 -7.020 1.00 11.44 C ATOM 960 O ILE A 59 -2.906 -4.064 -7.179 1.00 52.51 O ATOM 961 CB ILE A 59 -5.064 -5.354 -4.807 1.00 30.43 C ATOM 962 CG1 ILE A 59 -5.731 -4.911 -3.465 1.00 55.22 C ATOM 963 CG2 ILE A 59 -3.726 -6.066 -4.550 1.00 10.13 C ATOM 964 CD1 ILE A 59 -6.090 -6.053 -2.523 1.00 3.30 C ATOM 0 H ILE A 59 -7.008 -4.199 -5.803 1.00 74.33 H new ATOM 0 HA ILE A 59 -4.418 -3.309 -5.283 1.00 1.54 H new ATOM 0 HB ILE A 59 -5.722 -6.075 -5.292 1.00 30.43 H new ATOM 0 HG12 ILE A 59 -5.055 -4.230 -2.947 1.00 55.22 H new ATOM 0 HG13 ILE A 59 -6.636 -4.349 -3.694 1.00 55.22 H new ATOM 0 HG21 ILE A 59 -3.882 -6.897 -3.862 1.00 10.13 H new ATOM 0 HG22 ILE A 59 -3.328 -6.444 -5.492 1.00 10.13 H new ATOM 0 HG23 ILE A 59 -3.017 -5.362 -4.114 1.00 10.13 H new ATOM 0 HD11 ILE A 59 -6.547 -5.649 -1.619 1.00 3.30 H new ATOM 0 HD12 ILE A 59 -6.793 -6.724 -3.016 1.00 3.30 H new ATOM 0 HD13 ILE A 59 -5.187 -6.604 -2.258 1.00 3.30 H new ATOM 976 N SER A 60 -4.648 -5.361 -7.896 1.00 44.12 N ATOM 977 CA SER A 60 -3.994 -5.977 -9.058 1.00 4.15 C ATOM 978 C SER A 60 -3.437 -4.921 -10.033 1.00 72.24 C ATOM 979 O SER A 60 -2.371 -5.129 -10.613 1.00 61.14 O ATOM 980 CB SER A 60 -4.999 -6.907 -9.777 1.00 43.31 C ATOM 981 OG SER A 60 -4.402 -7.583 -10.864 1.00 61.31 O ATOM 0 H SER A 60 -5.631 -5.621 -7.810 1.00 44.12 H new ATOM 0 HA SER A 60 -3.144 -6.560 -8.703 1.00 4.15 H new ATOM 0 HB2 SER A 60 -5.392 -7.635 -9.068 1.00 43.31 H new ATOM 0 HB3 SER A 60 -5.846 -6.321 -10.134 1.00 43.31 H new ATOM 0 HG SER A 60 -3.840 -8.312 -10.527 1.00 61.31 H new ATOM 987 N GLU A 61 -4.157 -3.787 -10.175 1.00 72.43 N ATOM 988 CA GLU A 61 -3.777 -2.696 -11.099 1.00 55.23 C ATOM 989 C GLU A 61 -2.444 -2.052 -10.681 1.00 41.30 C ATOM 990 O GLU A 61 -1.528 -1.893 -11.505 1.00 64.55 O ATOM 991 CB GLU A 61 -4.900 -1.624 -11.167 1.00 34.02 C ATOM 992 CG GLU A 61 -6.268 -2.173 -11.619 1.00 24.45 C ATOM 993 CD GLU A 61 -6.197 -3.019 -12.910 1.00 12.51 C ATOM 994 OE1 GLU A 61 -6.300 -4.269 -12.833 1.00 55.22 O ATOM 995 OE2 GLU A 61 -6.032 -2.436 -14.005 1.00 21.44 O ATOM 0 H GLU A 61 -5.015 -3.602 -9.655 1.00 72.43 H new ATOM 0 HA GLU A 61 -3.646 -3.128 -12.091 1.00 55.23 H new ATOM 0 HB2 GLU A 61 -5.011 -1.167 -10.184 1.00 34.02 H new ATOM 0 HB3 GLU A 61 -4.593 -0.835 -11.853 1.00 34.02 H new ATOM 0 HG2 GLU A 61 -6.689 -2.781 -10.818 1.00 24.45 H new ATOM 0 HG3 GLU A 61 -6.951 -1.338 -11.778 1.00 24.45 H new ATOM 1002 N ILE A 62 -2.346 -1.712 -9.379 1.00 11.23 N ATOM 1003 CA ILE A 62 -1.131 -1.132 -8.792 1.00 3.05 C ATOM 1004 C ILE A 62 0.045 -2.126 -8.934 1.00 74.53 C ATOM 1005 O ILE A 62 1.128 -1.729 -9.355 1.00 61.12 O ATOM 1006 CB ILE A 62 -1.335 -0.703 -7.275 1.00 54.41 C ATOM 1007 CG1 ILE A 62 -2.137 0.647 -7.148 1.00 13.11 C ATOM 1008 CG2 ILE A 62 0.016 -0.595 -6.520 1.00 4.30 C ATOM 1009 CD1 ILE A 62 -3.587 0.612 -7.617 1.00 52.24 C ATOM 0 H ILE A 62 -3.107 -1.833 -8.711 1.00 11.23 H new ATOM 0 HA ILE A 62 -0.899 -0.220 -9.342 1.00 3.05 H new ATOM 0 HB ILE A 62 -1.924 -1.493 -6.809 1.00 54.41 H new ATOM 0 HG12 ILE A 62 -2.122 0.958 -6.104 1.00 13.11 H new ATOM 0 HG13 ILE A 62 -1.611 1.414 -7.717 1.00 13.11 H new ATOM 0 HG21 ILE A 62 -0.167 -0.300 -5.487 1.00 4.30 H new ATOM 0 HG22 ILE A 62 0.521 -1.561 -6.537 1.00 4.30 H new ATOM 0 HG23 ILE A 62 0.645 0.152 -7.005 1.00 4.30 H new ATOM 0 HD11 ILE A 62 -4.037 1.596 -7.482 1.00 52.24 H new ATOM 0 HD12 ILE A 62 -3.622 0.339 -8.672 1.00 52.24 H new ATOM 0 HD13 ILE A 62 -4.141 -0.123 -7.033 1.00 52.24 H new ATOM 1021 N ILE A 63 -0.212 -3.419 -8.626 1.00 4.53 N ATOM 1022 CA ILE A 63 0.815 -4.480 -8.704 1.00 40.12 C ATOM 1023 C ILE A 63 1.389 -4.589 -10.133 1.00 14.51 C ATOM 1024 O ILE A 63 2.601 -4.710 -10.286 1.00 45.21 O ATOM 1025 CB ILE A 63 0.275 -5.881 -8.228 1.00 12.04 C ATOM 1026 CG1 ILE A 63 -0.209 -5.804 -6.746 1.00 10.25 C ATOM 1027 CG2 ILE A 63 1.352 -6.989 -8.391 1.00 64.12 C ATOM 1028 CD1 ILE A 63 -0.736 -7.110 -6.196 1.00 12.42 C ATOM 0 H ILE A 63 -1.126 -3.752 -8.320 1.00 4.53 H new ATOM 0 HA ILE A 63 1.613 -4.189 -8.020 1.00 40.12 H new ATOM 0 HB ILE A 63 -0.572 -6.144 -8.861 1.00 12.04 H new ATOM 0 HG12 ILE A 63 0.619 -5.468 -6.122 1.00 10.25 H new ATOM 0 HG13 ILE A 63 -0.991 -5.049 -6.670 1.00 10.25 H new ATOM 0 HG21 ILE A 63 0.947 -7.943 -8.053 1.00 64.12 H new ATOM 0 HG22 ILE A 63 1.638 -7.067 -9.440 1.00 64.12 H new ATOM 0 HG23 ILE A 63 2.228 -6.735 -7.794 1.00 64.12 H new ATOM 0 HD11 ILE A 63 -1.051 -6.969 -5.162 1.00 12.42 H new ATOM 0 HD12 ILE A 63 -1.587 -7.439 -6.793 1.00 12.42 H new ATOM 0 HD13 ILE A 63 0.049 -7.865 -6.236 1.00 12.42 H new ATOM 1040 N LYS A 64 0.510 -4.484 -11.163 1.00 61.24 N ATOM 1041 CA LYS A 64 0.923 -4.471 -12.590 1.00 34.54 C ATOM 1042 C LYS A 64 1.937 -3.339 -12.836 1.00 72.32 C ATOM 1043 O LYS A 64 2.981 -3.544 -13.467 1.00 43.33 O ATOM 1044 CB LYS A 64 -0.299 -4.269 -13.539 1.00 74.34 C ATOM 1045 CG LYS A 64 -1.324 -5.419 -13.560 1.00 3.12 C ATOM 1046 CD LYS A 64 -2.483 -5.159 -14.555 1.00 53.32 C ATOM 1047 CE LYS A 64 -3.548 -6.266 -14.530 1.00 73.00 C ATOM 1048 NZ LYS A 64 -4.231 -6.337 -13.214 1.00 64.51 N ATOM 0 H LYS A 64 -0.498 -4.406 -11.029 1.00 61.24 H new ATOM 0 HA LYS A 64 1.378 -5.438 -12.807 1.00 34.54 H new ATOM 0 HB2 LYS A 64 -0.814 -3.353 -13.249 1.00 74.34 H new ATOM 0 HB3 LYS A 64 0.072 -4.119 -14.553 1.00 74.34 H new ATOM 0 HG2 LYS A 64 -0.819 -6.347 -13.829 1.00 3.12 H new ATOM 0 HG3 LYS A 64 -1.732 -5.557 -12.559 1.00 3.12 H new ATOM 0 HD2 LYS A 64 -2.952 -4.204 -14.318 1.00 53.32 H new ATOM 0 HD3 LYS A 64 -2.078 -5.073 -15.563 1.00 53.32 H new ATOM 0 HE2 LYS A 64 -4.284 -6.082 -15.313 1.00 73.00 H new ATOM 0 HE3 LYS A 64 -3.081 -7.226 -14.751 1.00 73.00 H new ATOM 0 HZ1 LYS A 64 -5.233 -6.577 -13.355 1.00 64.51 H new ATOM 0 HZ2 LYS A 64 -3.779 -7.068 -12.627 1.00 64.51 H new ATOM 0 HZ3 LYS A 64 -4.160 -5.416 -12.736 1.00 64.51 H new ATOM 1062 N GLN A 65 1.598 -2.146 -12.321 1.00 64.33 N ATOM 1063 CA GLN A 65 2.444 -0.944 -12.439 1.00 41.21 C ATOM 1064 C GLN A 65 3.782 -1.108 -11.674 1.00 14.34 C ATOM 1065 O GLN A 65 4.818 -0.581 -12.096 1.00 0.14 O ATOM 1066 CB GLN A 65 1.673 0.294 -11.924 1.00 71.42 C ATOM 1067 CG GLN A 65 0.326 0.569 -12.616 1.00 64.12 C ATOM 1068 CD GLN A 65 0.425 0.720 -14.134 1.00 62.52 C ATOM 1069 OE1 GLN A 65 0.251 -0.238 -14.890 1.00 11.12 O ATOM 1070 NE2 GLN A 65 0.722 1.920 -14.589 1.00 63.35 N ATOM 0 H GLN A 65 0.729 -1.986 -11.811 1.00 64.33 H new ATOM 0 HA GLN A 65 2.687 -0.804 -13.492 1.00 41.21 H new ATOM 0 HB2 GLN A 65 1.495 0.171 -10.856 1.00 71.42 H new ATOM 0 HB3 GLN A 65 2.309 1.172 -12.042 1.00 71.42 H new ATOM 0 HG2 GLN A 65 -0.361 -0.245 -12.386 1.00 64.12 H new ATOM 0 HG3 GLN A 65 -0.106 1.478 -12.198 1.00 64.12 H new ATOM 0 HE21 GLN A 65 0.860 2.693 -13.938 1.00 63.35 H new ATOM 0 HE22 GLN A 65 0.814 2.077 -15.593 1.00 63.35 H new ATOM 1079 N VAL A 66 3.745 -1.849 -10.547 1.00 42.53 N ATOM 1080 CA VAL A 66 4.933 -2.114 -9.712 1.00 54.42 C ATOM 1081 C VAL A 66 5.801 -3.242 -10.327 1.00 4.54 C ATOM 1082 O VAL A 66 7.001 -3.325 -10.060 1.00 4.05 O ATOM 1083 CB VAL A 66 4.541 -2.444 -8.220 1.00 21.34 C ATOM 1084 CG1 VAL A 66 5.790 -2.753 -7.363 1.00 64.11 C ATOM 1085 CG2 VAL A 66 3.729 -1.284 -7.590 1.00 54.31 C ATOM 0 H VAL A 66 2.891 -2.280 -10.191 1.00 42.53 H new ATOM 0 HA VAL A 66 5.528 -1.201 -9.692 1.00 54.42 H new ATOM 0 HB VAL A 66 3.914 -3.336 -8.238 1.00 21.34 H new ATOM 0 HG11 VAL A 66 5.484 -2.976 -6.341 1.00 64.11 H new ATOM 0 HG12 VAL A 66 6.314 -3.613 -7.781 1.00 64.11 H new ATOM 0 HG13 VAL A 66 6.454 -1.888 -7.362 1.00 64.11 H new ATOM 0 HG21 VAL A 66 3.471 -1.537 -6.562 1.00 54.31 H new ATOM 0 HG22 VAL A 66 4.328 -0.373 -7.601 1.00 54.31 H new ATOM 0 HG23 VAL A 66 2.816 -1.125 -8.164 1.00 54.31 H new ATOM 1095 N LEU A 67 5.194 -4.103 -11.163 1.00 20.55 N ATOM 1096 CA LEU A 67 5.946 -5.124 -11.921 1.00 51.12 C ATOM 1097 C LEU A 67 6.780 -4.430 -13.021 1.00 14.42 C ATOM 1098 O LEU A 67 7.889 -4.866 -13.343 1.00 50.34 O ATOM 1099 CB LEU A 67 4.986 -6.191 -12.533 1.00 73.35 C ATOM 1100 CG LEU A 67 4.208 -7.099 -11.518 1.00 1.43 C ATOM 1101 CD1 LEU A 67 3.204 -8.023 -12.243 1.00 61.21 C ATOM 1102 CD2 LEU A 67 5.170 -7.911 -10.618 1.00 52.41 C ATOM 0 H LEU A 67 4.188 -4.114 -11.332 1.00 20.55 H new ATOM 0 HA LEU A 67 6.618 -5.649 -11.242 1.00 51.12 H new ATOM 0 HB2 LEU A 67 4.256 -5.675 -13.157 1.00 73.35 H new ATOM 0 HB3 LEU A 67 5.568 -6.836 -13.191 1.00 73.35 H new ATOM 0 HG LEU A 67 3.638 -6.437 -10.867 1.00 1.43 H new ATOM 0 HD11 LEU A 67 2.682 -8.639 -11.511 1.00 61.21 H new ATOM 0 HD12 LEU A 67 2.481 -7.417 -12.789 1.00 61.21 H new ATOM 0 HD13 LEU A 67 3.740 -8.666 -12.941 1.00 61.21 H new ATOM 0 HD21 LEU A 67 4.591 -8.527 -9.929 1.00 52.41 H new ATOM 0 HD22 LEU A 67 5.796 -8.552 -11.239 1.00 52.41 H new ATOM 0 HD23 LEU A 67 5.801 -7.227 -10.050 1.00 52.41 H new ATOM 1114 N ASP A 68 6.225 -3.333 -13.578 1.00 54.11 N ATOM 1115 CA ASP A 68 6.903 -2.485 -14.583 1.00 72.31 C ATOM 1116 C ASP A 68 8.026 -1.630 -13.949 1.00 12.05 C ATOM 1117 O ASP A 68 9.092 -1.465 -14.552 1.00 11.04 O ATOM 1118 CB ASP A 68 5.862 -1.573 -15.303 1.00 73.22 C ATOM 1119 CG ASP A 68 6.500 -0.571 -16.295 1.00 43.11 C ATOM 1120 OD1 ASP A 68 7.079 -1.014 -17.317 1.00 24.45 O ATOM 1121 OD2 ASP A 68 6.415 0.663 -16.073 1.00 14.14 O ATOM 0 H ASP A 68 5.287 -3.008 -13.342 1.00 54.11 H new ATOM 0 HA ASP A 68 7.370 -3.143 -15.316 1.00 72.31 H new ATOM 0 HB2 ASP A 68 5.151 -2.201 -15.840 1.00 73.22 H new ATOM 0 HB3 ASP A 68 5.296 -1.020 -14.554 1.00 73.22 H new ATOM 1126 N SER A 69 7.792 -1.105 -12.730 1.00 51.55 N ATOM 1127 CA SER A 69 8.744 -0.196 -12.051 1.00 3.51 C ATOM 1128 C SER A 69 9.820 -0.976 -11.264 1.00 15.24 C ATOM 1129 O SER A 69 10.973 -0.538 -11.163 1.00 61.23 O ATOM 1130 CB SER A 69 7.970 0.756 -11.112 1.00 13.11 C ATOM 1131 OG SER A 69 7.211 0.041 -10.155 1.00 60.41 O ATOM 0 H SER A 69 6.947 -1.295 -12.191 1.00 51.55 H new ATOM 0 HA SER A 69 9.262 0.386 -12.814 1.00 3.51 H new ATOM 0 HB2 SER A 69 8.672 1.415 -10.601 1.00 13.11 H new ATOM 0 HB3 SER A 69 7.308 1.391 -11.701 1.00 13.11 H new ATOM 0 HG SER A 69 6.507 0.621 -9.796 1.00 60.41 H new ATOM 1137 N GLY A 70 9.426 -2.141 -10.732 1.00 25.24 N ATOM 1138 CA GLY A 70 10.285 -2.957 -9.864 1.00 20.55 C ATOM 1139 C GLY A 70 10.410 -2.395 -8.446 1.00 43.24 C ATOM 1140 O GLY A 70 11.411 -2.648 -7.766 1.00 21.13 O ATOM 0 H GLY A 70 8.503 -2.544 -10.891 1.00 25.24 H new ATOM 0 HA2 GLY A 70 9.884 -3.969 -9.813 1.00 20.55 H new ATOM 0 HA3 GLY A 70 11.277 -3.029 -10.309 1.00 20.55 H new ATOM 1144 N ALA A 71 9.387 -1.634 -8.008 1.00 55.34 N ATOM 1145 CA ALA A 71 9.370 -0.955 -6.686 1.00 52.20 C ATOM 1146 C ALA A 71 9.016 -1.940 -5.546 1.00 22.35 C ATOM 1147 O ALA A 71 8.650 -3.092 -5.807 1.00 54.54 O ATOM 1148 CB ALA A 71 8.363 0.214 -6.723 1.00 22.33 C ATOM 0 H ALA A 71 8.544 -1.469 -8.559 1.00 55.34 H new ATOM 0 HA ALA A 71 10.369 -0.569 -6.483 1.00 52.20 H new ATOM 0 HB1 ALA A 71 8.349 0.713 -5.754 1.00 22.33 H new ATOM 0 HB2 ALA A 71 8.660 0.926 -7.494 1.00 22.33 H new ATOM 0 HB3 ALA A 71 7.368 -0.170 -6.947 1.00 22.33 H new ATOM 1154 N LYS A 72 9.131 -1.480 -4.280 1.00 61.21 N ATOM 1155 CA LYS A 72 8.646 -2.249 -3.109 1.00 42.10 C ATOM 1156 C LYS A 72 7.145 -1.972 -2.950 1.00 14.10 C ATOM 1157 O LYS A 72 6.749 -0.822 -2.796 1.00 42.30 O ATOM 1158 CB LYS A 72 9.400 -1.876 -1.789 1.00 65.32 C ATOM 1159 CG LYS A 72 10.840 -2.433 -1.654 1.00 53.51 C ATOM 1160 CD LYS A 72 11.856 -1.796 -2.631 1.00 31.04 C ATOM 1161 CE LYS A 72 12.029 -0.285 -2.413 1.00 12.42 C ATOM 1162 NZ LYS A 72 13.013 0.313 -3.358 1.00 54.04 N ATOM 0 H LYS A 72 9.554 -0.583 -4.042 1.00 61.21 H new ATOM 0 HA LYS A 72 8.837 -3.307 -3.286 1.00 42.10 H new ATOM 0 HB2 LYS A 72 9.442 -0.790 -1.712 1.00 65.32 H new ATOM 0 HB3 LYS A 72 8.812 -2.233 -0.944 1.00 65.32 H new ATOM 0 HG2 LYS A 72 11.185 -2.274 -0.632 1.00 53.51 H new ATOM 0 HG3 LYS A 72 10.819 -3.510 -1.820 1.00 53.51 H new ATOM 0 HD2 LYS A 72 12.822 -2.288 -2.514 1.00 31.04 H new ATOM 0 HD3 LYS A 72 11.529 -1.975 -3.655 1.00 31.04 H new ATOM 0 HE2 LYS A 72 11.065 0.210 -2.534 1.00 12.42 H new ATOM 0 HE3 LYS A 72 12.355 -0.103 -1.389 1.00 12.42 H new ATOM 0 HZ1 LYS A 72 13.402 1.186 -2.948 1.00 54.04 H new ATOM 0 HZ2 LYS A 72 13.784 -0.363 -3.530 1.00 54.04 H new ATOM 0 HZ3 LYS A 72 12.540 0.534 -4.257 1.00 54.04 H new ATOM 1176 N VAL A 73 6.319 -3.020 -3.012 1.00 60.24 N ATOM 1177 CA VAL A 73 4.853 -2.894 -2.884 1.00 74.04 C ATOM 1178 C VAL A 73 4.359 -3.668 -1.656 1.00 23.01 C ATOM 1179 O VAL A 73 4.752 -4.816 -1.431 1.00 74.44 O ATOM 1180 CB VAL A 73 4.111 -3.380 -4.186 1.00 43.13 C ATOM 1181 CG1 VAL A 73 4.502 -4.828 -4.580 1.00 61.53 C ATOM 1182 CG2 VAL A 73 2.572 -3.200 -4.077 1.00 32.23 C ATOM 0 H VAL A 73 6.639 -3.978 -3.152 1.00 60.24 H new ATOM 0 HA VAL A 73 4.619 -1.838 -2.752 1.00 74.04 H new ATOM 0 HB VAL A 73 4.449 -2.736 -4.998 1.00 43.13 H new ATOM 0 HG11 VAL A 73 3.965 -5.117 -5.483 1.00 61.53 H new ATOM 0 HG12 VAL A 73 5.575 -4.878 -4.765 1.00 61.53 H new ATOM 0 HG13 VAL A 73 4.242 -5.509 -3.769 1.00 61.53 H new ATOM 0 HG21 VAL A 73 2.099 -3.547 -4.996 1.00 32.23 H new ATOM 0 HG22 VAL A 73 2.197 -3.780 -3.234 1.00 32.23 H new ATOM 0 HG23 VAL A 73 2.339 -2.146 -3.925 1.00 32.23 H new ATOM 1192 N LEU A 74 3.513 -3.004 -0.869 1.00 51.01 N ATOM 1193 CA LEU A 74 2.827 -3.589 0.272 1.00 24.54 C ATOM 1194 C LEU A 74 1.331 -3.630 -0.038 1.00 64.04 C ATOM 1195 O LEU A 74 0.753 -2.622 -0.458 1.00 21.50 O ATOM 1196 CB LEU A 74 3.096 -2.765 1.552 1.00 21.43 C ATOM 1197 CG LEU A 74 2.322 -3.210 2.829 1.00 54.20 C ATOM 1198 CD1 LEU A 74 2.564 -4.699 3.158 1.00 43.02 C ATOM 1199 CD2 LEU A 74 2.662 -2.290 4.022 1.00 40.21 C ATOM 0 H LEU A 74 3.283 -2.021 -1.015 1.00 51.01 H new ATOM 0 HA LEU A 74 3.197 -4.599 0.449 1.00 24.54 H new ATOM 0 HB2 LEU A 74 4.164 -2.804 1.767 1.00 21.43 H new ATOM 0 HB3 LEU A 74 2.850 -1.723 1.347 1.00 21.43 H new ATOM 0 HG LEU A 74 1.256 -3.109 2.626 1.00 54.20 H new ATOM 0 HD11 LEU A 74 2.007 -4.969 4.055 1.00 43.02 H new ATOM 0 HD12 LEU A 74 2.229 -5.315 2.324 1.00 43.02 H new ATOM 0 HD13 LEU A 74 3.628 -4.866 3.328 1.00 43.02 H new ATOM 0 HD21 LEU A 74 2.111 -2.618 4.903 1.00 40.21 H new ATOM 0 HD22 LEU A 74 3.732 -2.337 4.225 1.00 40.21 H new ATOM 0 HD23 LEU A 74 2.383 -1.264 3.781 1.00 40.21 H new ATOM 1211 N ILE A 75 0.721 -4.803 0.150 1.00 33.34 N ATOM 1212 CA ILE A 75 -0.709 -5.015 -0.052 1.00 54.30 C ATOM 1213 C ILE A 75 -1.345 -5.367 1.295 1.00 62.43 C ATOM 1214 O ILE A 75 -1.093 -6.441 1.858 1.00 63.33 O ATOM 1215 CB ILE A 75 -0.982 -6.152 -1.108 1.00 64.44 C ATOM 1216 CG1 ILE A 75 -0.384 -5.771 -2.504 1.00 42.43 C ATOM 1217 CG2 ILE A 75 -2.492 -6.491 -1.210 1.00 42.40 C ATOM 1218 CD1 ILE A 75 -0.823 -4.419 -3.065 1.00 32.34 C ATOM 0 H ILE A 75 1.216 -5.642 0.451 1.00 33.34 H new ATOM 0 HA ILE A 75 -1.152 -4.101 -0.447 1.00 54.30 H new ATOM 0 HB ILE A 75 -0.477 -7.053 -0.761 1.00 64.44 H new ATOM 0 HG12 ILE A 75 0.703 -5.776 -2.427 1.00 42.43 H new ATOM 0 HG13 ILE A 75 -0.656 -6.547 -3.220 1.00 42.43 H new ATOM 0 HG21 ILE A 75 -2.639 -7.279 -1.948 1.00 42.40 H new ATOM 0 HG22 ILE A 75 -2.855 -6.830 -0.240 1.00 42.40 H new ATOM 0 HG23 ILE A 75 -3.045 -5.602 -1.514 1.00 42.40 H new ATOM 0 HD11 ILE A 75 -0.350 -4.256 -4.034 1.00 32.34 H new ATOM 0 HD12 ILE A 75 -1.906 -4.409 -3.184 1.00 32.34 H new ATOM 0 HD13 ILE A 75 -0.526 -3.626 -2.378 1.00 32.34 H new ATOM 1230 N LEU A 76 -2.118 -4.420 1.829 1.00 14.40 N ATOM 1231 CA LEU A 76 -2.885 -4.584 3.059 1.00 43.14 C ATOM 1232 C LEU A 76 -4.366 -4.784 2.692 1.00 3.10 C ATOM 1233 O LEU A 76 -4.950 -3.965 1.968 1.00 11.43 O ATOM 1234 CB LEU A 76 -2.687 -3.335 3.968 1.00 35.43 C ATOM 1235 CG LEU A 76 -1.219 -3.041 4.418 1.00 45.40 C ATOM 1236 CD1 LEU A 76 -1.114 -1.721 5.207 1.00 14.10 C ATOM 1237 CD2 LEU A 76 -0.641 -4.213 5.230 1.00 64.11 C ATOM 0 H LEU A 76 -2.229 -3.498 1.407 1.00 14.40 H new ATOM 0 HA LEU A 76 -2.541 -5.457 3.613 1.00 43.14 H new ATOM 0 HB2 LEU A 76 -3.066 -2.461 3.438 1.00 35.43 H new ATOM 0 HB3 LEU A 76 -3.302 -3.458 4.860 1.00 35.43 H new ATOM 0 HG LEU A 76 -0.623 -2.928 3.513 1.00 45.40 H new ATOM 0 HD11 LEU A 76 -0.078 -1.554 5.501 1.00 14.10 H new ATOM 0 HD12 LEU A 76 -1.451 -0.895 4.581 1.00 14.10 H new ATOM 0 HD13 LEU A 76 -1.739 -1.779 6.098 1.00 14.10 H new ATOM 0 HD21 LEU A 76 0.381 -3.980 5.529 1.00 64.11 H new ATOM 0 HD22 LEU A 76 -1.251 -4.376 6.119 1.00 64.11 H new ATOM 0 HD23 LEU A 76 -0.643 -5.115 4.618 1.00 64.11 H new ATOM 1249 N SER A 77 -4.956 -5.891 3.157 1.00 54.21 N ATOM 1250 CA SER A 77 -6.380 -6.199 2.950 1.00 71.30 C ATOM 1251 C SER A 77 -6.946 -6.782 4.240 1.00 75.04 C ATOM 1252 O SER A 77 -6.232 -7.473 4.972 1.00 54.11 O ATOM 1253 CB SER A 77 -6.566 -7.188 1.776 1.00 0.33 C ATOM 1254 OG SER A 77 -5.978 -6.695 0.587 1.00 44.15 O ATOM 0 H SER A 77 -4.458 -6.604 3.691 1.00 54.21 H new ATOM 0 HA SER A 77 -6.916 -5.285 2.694 1.00 71.30 H new ATOM 0 HB2 SER A 77 -6.119 -8.148 2.033 1.00 0.33 H new ATOM 0 HB3 SER A 77 -7.629 -7.364 1.612 1.00 0.33 H new ATOM 0 HG SER A 77 -5.677 -7.447 0.035 1.00 44.15 H new ATOM 1260 N SER A 78 -8.231 -6.528 4.505 1.00 10.23 N ATOM 1261 CA SER A 78 -8.883 -6.916 5.764 1.00 72.53 C ATOM 1262 C SER A 78 -9.367 -8.385 5.745 1.00 4.43 C ATOM 1263 O SER A 78 -10.051 -8.822 6.672 1.00 11.31 O ATOM 1264 CB SER A 78 -10.054 -5.943 6.036 1.00 60.31 C ATOM 1265 OG SER A 78 -9.615 -4.588 6.003 1.00 70.24 O ATOM 0 H SER A 78 -8.851 -6.047 3.853 1.00 10.23 H new ATOM 0 HA SER A 78 -8.153 -6.850 6.571 1.00 72.53 H new ATOM 0 HB2 SER A 78 -10.836 -6.093 5.291 1.00 60.31 H new ATOM 0 HB3 SER A 78 -10.494 -6.162 7.009 1.00 60.31 H new ATOM 0 HG SER A 78 -8.676 -4.541 6.281 1.00 70.24 H new ATOM 1271 N ASP A 79 -8.952 -9.159 4.719 1.00 21.11 N ATOM 1272 CA ASP A 79 -9.408 -10.546 4.517 1.00 70.20 C ATOM 1273 C ASP A 79 -8.214 -11.461 4.190 1.00 45.01 C ATOM 1274 O ASP A 79 -7.416 -11.152 3.295 1.00 52.13 O ATOM 1275 CB ASP A 79 -10.470 -10.611 3.390 1.00 71.13 C ATOM 1276 CG ASP A 79 -11.011 -12.037 3.167 1.00 1.23 C ATOM 1277 OD1 ASP A 79 -10.632 -12.685 2.174 1.00 3.25 O ATOM 1278 OD2 ASP A 79 -11.800 -12.526 4.003 1.00 72.13 O ATOM 0 H ASP A 79 -8.293 -8.838 4.010 1.00 21.11 H new ATOM 0 HA ASP A 79 -9.868 -10.897 5.441 1.00 70.20 H new ATOM 0 HB2 ASP A 79 -11.298 -9.947 3.637 1.00 71.13 H new ATOM 0 HB3 ASP A 79 -10.033 -10.243 2.462 1.00 71.13 H new ATOM 1283 N GLU A 80 -8.130 -12.587 4.920 1.00 13.22 N ATOM 1284 CA GLU A 80 -7.049 -13.589 4.801 1.00 73.53 C ATOM 1285 C GLU A 80 -6.990 -14.251 3.409 1.00 51.03 C ATOM 1286 O GLU A 80 -5.901 -14.557 2.914 1.00 64.13 O ATOM 1287 CB GLU A 80 -7.242 -14.679 5.898 1.00 43.22 C ATOM 1288 CG GLU A 80 -6.878 -14.224 7.323 1.00 3.33 C ATOM 1289 CD GLU A 80 -5.359 -14.080 7.539 1.00 62.50 C ATOM 1290 OE1 GLU A 80 -4.802 -13.008 7.245 1.00 14.43 O ATOM 1291 OE2 GLU A 80 -4.716 -15.045 8.002 1.00 24.45 O ATOM 0 H GLU A 80 -8.825 -12.834 5.625 1.00 13.22 H new ATOM 0 HA GLU A 80 -6.102 -13.066 4.938 1.00 73.53 H new ATOM 0 HB2 GLU A 80 -8.282 -15.005 5.889 1.00 43.22 H new ATOM 0 HB3 GLU A 80 -6.634 -15.546 5.641 1.00 43.22 H new ATOM 0 HG2 GLU A 80 -7.361 -13.268 7.528 1.00 3.33 H new ATOM 0 HG3 GLU A 80 -7.275 -14.942 8.040 1.00 3.33 H new ATOM 1298 N ASN A 81 -8.163 -14.460 2.789 1.00 20.54 N ATOM 1299 CA ASN A 81 -8.275 -15.189 1.507 1.00 4.14 C ATOM 1300 C ASN A 81 -7.839 -14.289 0.338 1.00 51.44 C ATOM 1301 O ASN A 81 -7.296 -14.774 -0.652 1.00 44.15 O ATOM 1302 CB ASN A 81 -9.726 -15.688 1.286 1.00 34.11 C ATOM 1303 CG ASN A 81 -10.268 -16.462 2.484 1.00 25.33 C ATOM 1304 OD1 ASN A 81 -10.112 -17.680 2.581 1.00 54.54 O ATOM 1305 ND2 ASN A 81 -10.910 -15.754 3.416 1.00 12.22 N ATOM 0 H ASN A 81 -9.057 -14.133 3.156 1.00 20.54 H new ATOM 0 HA ASN A 81 -7.614 -16.055 1.548 1.00 4.14 H new ATOM 0 HB2 ASN A 81 -10.374 -14.834 1.086 1.00 34.11 H new ATOM 0 HB3 ASN A 81 -9.757 -16.325 0.402 1.00 34.11 H new ATOM 0 HD21 ASN A 81 -11.289 -16.221 4.240 1.00 12.22 H new ATOM 0 HD22 ASN A 81 -11.021 -14.746 3.304 1.00 12.22 H new ATOM 1312 N ILE A 82 -8.103 -12.969 0.475 1.00 2.12 N ATOM 1313 CA ILE A 82 -7.650 -11.941 -0.483 1.00 41.22 C ATOM 1314 C ILE A 82 -6.117 -11.828 -0.440 1.00 34.43 C ATOM 1315 O ILE A 82 -5.467 -11.854 -1.488 1.00 55.52 O ATOM 1316 CB ILE A 82 -8.328 -10.535 -0.204 1.00 11.54 C ATOM 1317 CG1 ILE A 82 -9.856 -10.607 -0.531 1.00 32.31 C ATOM 1318 CG2 ILE A 82 -7.634 -9.376 -0.980 1.00 63.02 C ATOM 1319 CD1 ILE A 82 -10.617 -9.313 -0.331 1.00 64.43 C ATOM 0 H ILE A 82 -8.638 -12.589 1.256 1.00 2.12 H new ATOM 0 HA ILE A 82 -7.958 -12.250 -1.482 1.00 41.22 H new ATOM 0 HB ILE A 82 -8.204 -10.309 0.855 1.00 11.54 H new ATOM 0 HG12 ILE A 82 -9.976 -10.924 -1.567 1.00 32.31 H new ATOM 0 HG13 ILE A 82 -10.309 -11.377 0.093 1.00 32.31 H new ATOM 0 HG21 ILE A 82 -8.136 -8.435 -0.754 1.00 63.02 H new ATOM 0 HG22 ILE A 82 -6.589 -9.311 -0.678 1.00 63.02 H new ATOM 0 HG23 ILE A 82 -7.691 -9.570 -2.051 1.00 63.02 H new ATOM 0 HD11 ILE A 82 -11.666 -9.465 -0.584 1.00 64.43 H new ATOM 0 HD12 ILE A 82 -10.536 -9.000 0.710 1.00 64.43 H new ATOM 0 HD13 ILE A 82 -10.197 -8.541 -0.975 1.00 64.43 H new ATOM 1331 N ILE A 83 -5.558 -11.742 0.788 1.00 24.44 N ATOM 1332 CA ILE A 83 -4.097 -11.721 1.018 1.00 64.35 C ATOM 1333 C ILE A 83 -3.443 -12.973 0.387 1.00 42.52 C ATOM 1334 O ILE A 83 -2.448 -12.865 -0.330 1.00 41.32 O ATOM 1335 CB ILE A 83 -3.774 -11.608 2.567 1.00 50.30 C ATOM 1336 CG1 ILE A 83 -4.201 -10.205 3.118 1.00 64.15 C ATOM 1337 CG2 ILE A 83 -2.286 -11.894 2.889 1.00 51.35 C ATOM 1338 CD1 ILE A 83 -3.455 -9.017 2.508 1.00 73.34 C ATOM 0 H ILE A 83 -6.107 -11.685 1.646 1.00 24.44 H new ATOM 0 HA ILE A 83 -3.674 -10.840 0.534 1.00 64.35 H new ATOM 0 HB ILE A 83 -4.358 -12.379 3.070 1.00 50.30 H new ATOM 0 HG12 ILE A 83 -5.269 -10.073 2.944 1.00 64.15 H new ATOM 0 HG13 ILE A 83 -4.050 -10.194 4.197 1.00 64.15 H new ATOM 0 HG21 ILE A 83 -2.122 -11.803 3.963 1.00 51.35 H new ATOM 0 HG22 ILE A 83 -2.032 -12.904 2.568 1.00 51.35 H new ATOM 0 HG23 ILE A 83 -1.656 -11.177 2.363 1.00 51.35 H new ATOM 0 HD11 ILE A 83 -3.820 -8.091 2.952 1.00 73.34 H new ATOM 0 HD12 ILE A 83 -2.388 -9.118 2.705 1.00 73.34 H new ATOM 0 HD13 ILE A 83 -3.625 -8.994 1.432 1.00 73.34 H new ATOM 1350 N GLU A 84 -4.086 -14.142 0.600 1.00 54.25 N ATOM 1351 CA GLU A 84 -3.635 -15.439 0.067 1.00 61.23 C ATOM 1352 C GLU A 84 -3.654 -15.450 -1.473 1.00 54.24 C ATOM 1353 O GLU A 84 -2.715 -15.961 -2.102 1.00 14.32 O ATOM 1354 CB GLU A 84 -4.517 -16.583 0.632 1.00 31.31 C ATOM 1355 CG GLU A 84 -4.118 -17.993 0.154 1.00 32.01 C ATOM 1356 CD GLU A 84 -5.006 -19.096 0.736 1.00 4.11 C ATOM 1357 OE1 GLU A 84 -6.145 -19.268 0.246 1.00 22.03 O ATOM 1358 OE2 GLU A 84 -4.576 -19.805 1.675 1.00 13.11 O ATOM 0 H GLU A 84 -4.941 -14.208 1.153 1.00 54.25 H new ATOM 0 HA GLU A 84 -2.604 -15.597 0.385 1.00 61.23 H new ATOM 0 HB2 GLU A 84 -4.472 -16.556 1.721 1.00 31.31 H new ATOM 0 HB3 GLU A 84 -5.554 -16.398 0.351 1.00 31.31 H new ATOM 0 HG2 GLU A 84 -4.169 -18.030 -0.934 1.00 32.01 H new ATOM 0 HG3 GLU A 84 -3.081 -18.185 0.431 1.00 32.01 H new ATOM 1365 N SER A 85 -4.714 -14.864 -2.064 1.00 23.40 N ATOM 1366 CA SER A 85 -4.861 -14.748 -3.523 1.00 71.30 C ATOM 1367 C SER A 85 -3.704 -13.942 -4.131 1.00 53.40 C ATOM 1368 O SER A 85 -3.134 -14.337 -5.146 1.00 62.43 O ATOM 1369 CB SER A 85 -6.213 -14.093 -3.884 1.00 63.33 C ATOM 1370 OG SER A 85 -7.306 -14.888 -3.451 1.00 20.34 O ATOM 0 H SER A 85 -5.490 -14.459 -1.541 1.00 23.40 H new ATOM 0 HA SER A 85 -4.836 -15.754 -3.942 1.00 71.30 H new ATOM 0 HB2 SER A 85 -6.275 -13.106 -3.425 1.00 63.33 H new ATOM 0 HB3 SER A 85 -6.272 -13.947 -4.963 1.00 63.33 H new ATOM 0 HG SER A 85 -7.347 -14.883 -2.472 1.00 20.34 H new ATOM 1376 N ILE A 86 -3.363 -12.824 -3.479 1.00 11.01 N ATOM 1377 CA ILE A 86 -2.302 -11.917 -3.942 1.00 21.34 C ATOM 1378 C ILE A 86 -0.905 -12.586 -3.793 1.00 34.22 C ATOM 1379 O ILE A 86 -0.015 -12.360 -4.613 1.00 72.13 O ATOM 1380 CB ILE A 86 -2.383 -10.531 -3.184 1.00 40.21 C ATOM 1381 CG1 ILE A 86 -3.803 -9.883 -3.352 1.00 2.03 C ATOM 1382 CG2 ILE A 86 -1.284 -9.548 -3.643 1.00 34.15 C ATOM 1383 CD1 ILE A 86 -4.262 -9.656 -4.791 1.00 23.32 C ATOM 0 H ILE A 86 -3.814 -12.521 -2.616 1.00 11.01 H new ATOM 0 HA ILE A 86 -2.451 -11.714 -5.002 1.00 21.34 H new ATOM 0 HB ILE A 86 -2.214 -10.738 -2.127 1.00 40.21 H new ATOM 0 HG12 ILE A 86 -4.534 -10.520 -2.853 1.00 2.03 H new ATOM 0 HG13 ILE A 86 -3.808 -8.925 -2.833 1.00 2.03 H new ATOM 0 HG21 ILE A 86 -1.381 -8.611 -3.094 1.00 34.15 H new ATOM 0 HG22 ILE A 86 -0.303 -9.982 -3.449 1.00 34.15 H new ATOM 0 HG23 ILE A 86 -1.391 -9.356 -4.711 1.00 34.15 H new ATOM 0 HD11 ILE A 86 -5.254 -9.205 -4.790 1.00 23.32 H new ATOM 0 HD12 ILE A 86 -3.562 -8.991 -5.296 1.00 23.32 H new ATOM 0 HD13 ILE A 86 -4.298 -10.610 -5.316 1.00 23.32 H new ATOM 1395 N ARG A 87 -0.754 -13.458 -2.775 1.00 74.54 N ATOM 1396 CA ARG A 87 0.500 -14.214 -2.534 1.00 63.01 C ATOM 1397 C ARG A 87 0.756 -15.285 -3.619 1.00 32.02 C ATOM 1398 O ARG A 87 1.899 -15.468 -4.061 1.00 71.01 O ATOM 1399 CB ARG A 87 0.477 -14.893 -1.135 1.00 22.22 C ATOM 1400 CG ARG A 87 0.516 -13.913 0.048 1.00 30.14 C ATOM 1401 CD ARG A 87 0.648 -14.615 1.415 1.00 54.52 C ATOM 1402 NE ARG A 87 -0.460 -15.551 1.702 1.00 50.45 N ATOM 1403 CZ ARG A 87 -1.137 -15.635 2.871 1.00 43.22 C ATOM 1404 NH1 ARG A 87 -0.845 -14.834 3.893 1.00 45.43 N ATOM 1405 NH2 ARG A 87 -2.088 -16.546 3.018 1.00 74.24 N ATOM 0 H ARG A 87 -1.491 -13.660 -2.099 1.00 74.54 H new ATOM 0 HA ARG A 87 1.312 -13.489 -2.575 1.00 63.01 H new ATOM 0 HB2 ARG A 87 -0.423 -15.503 -1.056 1.00 22.22 H new ATOM 0 HB3 ARG A 87 1.329 -15.569 -1.059 1.00 22.22 H new ATOM 0 HG2 ARG A 87 1.354 -13.228 -0.084 1.00 30.14 H new ATOM 0 HG3 ARG A 87 -0.392 -13.311 0.042 1.00 30.14 H new ATOM 0 HD2 ARG A 87 1.592 -15.160 1.446 1.00 54.52 H new ATOM 0 HD3 ARG A 87 0.689 -13.860 2.200 1.00 54.52 H new ATOM 0 HE ARG A 87 -0.738 -16.188 0.955 1.00 50.45 H new ATOM 0 HH11 ARG A 87 -0.100 -14.143 3.803 1.00 45.43 H new ATOM 0 HH12 ARG A 87 -1.366 -14.911 4.767 1.00 45.43 H new ATOM 0 HH21 ARG A 87 -2.308 -17.182 2.251 1.00 74.24 H new ATOM 0 HH22 ARG A 87 -2.600 -16.612 3.898 1.00 74.24 H new ATOM 1419 N LYS A 88 -0.306 -16.016 -4.020 1.00 75.24 N ATOM 1420 CA LYS A 88 -0.170 -17.149 -4.968 1.00 64.41 C ATOM 1421 C LYS A 88 -0.094 -16.669 -6.427 1.00 71.22 C ATOM 1422 O LYS A 88 0.640 -17.251 -7.235 1.00 53.20 O ATOM 1423 CB LYS A 88 -1.303 -18.197 -4.766 1.00 43.44 C ATOM 1424 CG LYS A 88 -2.747 -17.692 -4.970 1.00 64.20 C ATOM 1425 CD LYS A 88 -3.801 -18.795 -4.681 1.00 23.32 C ATOM 1426 CE LYS A 88 -5.247 -18.312 -4.875 1.00 74.34 C ATOM 1427 NZ LYS A 88 -6.242 -19.404 -4.646 1.00 63.32 N ATOM 0 H LYS A 88 -1.262 -15.846 -3.706 1.00 75.24 H new ATOM 0 HA LYS A 88 0.776 -17.643 -4.747 1.00 64.41 H new ATOM 0 HB2 LYS A 88 -1.130 -19.025 -5.454 1.00 43.44 H new ATOM 0 HB3 LYS A 88 -1.221 -18.599 -3.756 1.00 43.44 H new ATOM 0 HG2 LYS A 88 -2.928 -16.839 -4.316 1.00 64.20 H new ATOM 0 HG3 LYS A 88 -2.865 -17.339 -5.994 1.00 64.20 H new ATOM 0 HD2 LYS A 88 -3.617 -19.646 -5.337 1.00 23.32 H new ATOM 0 HD3 LYS A 88 -3.677 -19.149 -3.658 1.00 23.32 H new ATOM 0 HE2 LYS A 88 -5.449 -17.489 -4.189 1.00 74.34 H new ATOM 0 HE3 LYS A 88 -5.365 -17.921 -5.886 1.00 74.34 H new ATOM 0 HZ1 LYS A 88 -7.203 -19.033 -4.788 1.00 63.32 H new ATOM 0 HZ2 LYS A 88 -6.068 -20.179 -5.317 1.00 63.32 H new ATOM 0 HZ3 LYS A 88 -6.148 -19.761 -3.674 1.00 63.32 H new ATOM 1441 N GLN A 89 -0.853 -15.610 -6.761 1.00 23.41 N ATOM 1442 CA GLN A 89 -0.811 -14.982 -8.101 1.00 63.25 C ATOM 1443 C GLN A 89 0.514 -14.217 -8.303 1.00 21.41 C ATOM 1444 O GLN A 89 1.105 -14.255 -9.389 1.00 15.20 O ATOM 1445 CB GLN A 89 -2.023 -14.024 -8.296 1.00 72.42 C ATOM 1446 CG GLN A 89 -3.402 -14.714 -8.305 1.00 23.20 C ATOM 1447 CD GLN A 89 -4.567 -13.719 -8.411 1.00 52.30 C ATOM 1448 OE1 GLN A 89 -5.005 -13.364 -9.506 1.00 52.23 O ATOM 1449 NE2 GLN A 89 -5.064 -13.245 -7.279 1.00 64.13 N ATOM 0 H GLN A 89 -1.509 -15.166 -6.118 1.00 23.41 H new ATOM 0 HA GLN A 89 -0.871 -15.773 -8.849 1.00 63.25 H new ATOM 0 HB2 GLN A 89 -2.011 -13.280 -7.500 1.00 72.42 H new ATOM 0 HB3 GLN A 89 -1.896 -13.487 -9.236 1.00 72.42 H new ATOM 0 HG2 GLN A 89 -3.449 -15.411 -9.142 1.00 23.20 H new ATOM 0 HG3 GLN A 89 -3.515 -15.302 -7.394 1.00 23.20 H new ATOM 0 HE21 GLN A 89 -4.683 -13.556 -6.385 1.00 64.13 H new ATOM 0 HE22 GLN A 89 -5.828 -12.569 -7.301 1.00 64.13 H new ATOM 1458 N TYR A 90 0.969 -13.517 -7.245 1.00 31.13 N ATOM 1459 CA TYR A 90 2.193 -12.689 -7.279 1.00 50.34 C ATOM 1460 C TYR A 90 3.155 -13.200 -6.184 1.00 31.22 C ATOM 1461 O TYR A 90 2.930 -12.930 -5.005 1.00 23.50 O ATOM 1462 CB TYR A 90 1.824 -11.185 -7.067 1.00 61.25 C ATOM 1463 CG TYR A 90 0.574 -10.747 -7.850 1.00 2.03 C ATOM 1464 CD1 TYR A 90 0.619 -10.505 -9.224 1.00 71.24 C ATOM 1465 CD2 TYR A 90 -0.667 -10.628 -7.211 1.00 12.14 C ATOM 1466 CE1 TYR A 90 -0.524 -10.160 -9.924 1.00 34.40 C ATOM 1467 CE2 TYR A 90 -1.804 -10.276 -7.906 1.00 70.25 C ATOM 1468 CZ TYR A 90 -1.731 -10.047 -9.260 1.00 30.40 C ATOM 1469 OH TYR A 90 -2.872 -9.718 -9.956 1.00 63.20 O ATOM 0 H TYR A 90 0.498 -13.509 -6.340 1.00 31.13 H new ATOM 0 HA TYR A 90 2.686 -12.769 -8.248 1.00 50.34 H new ATOM 0 HB2 TYR A 90 1.660 -11.005 -6.005 1.00 61.25 H new ATOM 0 HB3 TYR A 90 2.668 -10.565 -7.369 1.00 61.25 H new ATOM 0 HD1 TYR A 90 1.559 -10.588 -9.748 1.00 71.24 H new ATOM 0 HD2 TYR A 90 -0.734 -10.816 -6.150 1.00 12.14 H new ATOM 0 HE1 TYR A 90 -0.473 -9.979 -10.988 1.00 34.40 H new ATOM 0 HE2 TYR A 90 -2.748 -10.180 -7.390 1.00 70.25 H new ATOM 0 HH TYR A 90 -3.659 -9.912 -9.405 1.00 63.20 H new ATOM 1479 N PRO A 91 4.214 -13.991 -6.546 1.00 5.12 N ATOM 1480 CA PRO A 91 5.123 -14.613 -5.543 1.00 3.45 C ATOM 1481 C PRO A 91 5.999 -13.588 -4.782 1.00 64.14 C ATOM 1482 O PRO A 91 6.307 -13.787 -3.602 1.00 12.13 O ATOM 1483 CB PRO A 91 5.983 -15.577 -6.407 1.00 60.04 C ATOM 1484 CG PRO A 91 5.971 -14.974 -7.782 1.00 54.44 C ATOM 1485 CD PRO A 91 4.591 -14.367 -7.944 1.00 75.35 C ATOM 0 HA PRO A 91 4.572 -15.110 -4.745 1.00 3.45 H new ATOM 0 HB2 PRO A 91 6.998 -15.657 -6.019 1.00 60.04 H new ATOM 0 HB3 PRO A 91 5.564 -16.583 -6.413 1.00 60.04 H new ATOM 0 HG2 PRO A 91 6.748 -14.216 -7.885 1.00 54.44 H new ATOM 0 HG3 PRO A 91 6.159 -15.730 -8.544 1.00 54.44 H new ATOM 0 HD2 PRO A 91 4.608 -13.499 -8.603 1.00 75.35 H new ATOM 0 HD3 PRO A 91 3.886 -15.079 -8.373 1.00 75.35 H new ATOM 1493 N LYS A 92 6.385 -12.489 -5.460 1.00 73.21 N ATOM 1494 CA LYS A 92 7.393 -11.532 -4.946 1.00 63.04 C ATOM 1495 C LYS A 92 6.762 -10.236 -4.374 1.00 52.43 C ATOM 1496 O LYS A 92 7.472 -9.238 -4.183 1.00 41.21 O ATOM 1497 CB LYS A 92 8.382 -11.170 -6.083 1.00 25.44 C ATOM 1498 CG LYS A 92 9.047 -12.373 -6.791 1.00 10.42 C ATOM 1499 CD LYS A 92 10.152 -11.982 -7.812 1.00 22.34 C ATOM 1500 CE LYS A 92 9.657 -11.108 -8.994 1.00 3.23 C ATOM 1501 NZ LYS A 92 9.394 -9.683 -8.617 1.00 70.21 N ATOM 0 H LYS A 92 6.011 -12.238 -6.375 1.00 73.21 H new ATOM 0 HA LYS A 92 7.912 -12.022 -4.123 1.00 63.04 H new ATOM 0 HB2 LYS A 92 7.851 -10.579 -6.829 1.00 25.44 H new ATOM 0 HB3 LYS A 92 9.165 -10.534 -5.671 1.00 25.44 H new ATOM 0 HG2 LYS A 92 9.481 -13.029 -6.037 1.00 10.42 H new ATOM 0 HG3 LYS A 92 8.277 -12.947 -7.308 1.00 10.42 H new ATOM 0 HD2 LYS A 92 10.941 -11.445 -7.286 1.00 22.34 H new ATOM 0 HD3 LYS A 92 10.598 -12.893 -8.212 1.00 22.34 H new ATOM 0 HE2 LYS A 92 10.401 -11.133 -9.790 1.00 3.23 H new ATOM 0 HE3 LYS A 92 8.743 -11.543 -9.398 1.00 3.23 H new ATOM 0 HZ1 LYS A 92 8.369 -9.506 -8.623 1.00 70.21 H new ATOM 0 HZ2 LYS A 92 9.771 -9.500 -7.665 1.00 70.21 H new ATOM 0 HZ3 LYS A 92 9.858 -9.052 -9.301 1.00 70.21 H new ATOM 1515 N VAL A 93 5.448 -10.239 -4.114 1.00 52.11 N ATOM 1516 CA VAL A 93 4.757 -9.091 -3.484 1.00 30.12 C ATOM 1517 C VAL A 93 4.878 -9.194 -1.946 1.00 72.41 C ATOM 1518 O VAL A 93 4.924 -10.306 -1.409 1.00 52.33 O ATOM 1519 CB VAL A 93 3.239 -9.053 -3.922 1.00 10.15 C ATOM 1520 CG1 VAL A 93 2.470 -10.295 -3.420 1.00 14.54 C ATOM 1521 CG2 VAL A 93 2.536 -7.751 -3.477 1.00 33.54 C ATOM 0 H VAL A 93 4.834 -11.025 -4.329 1.00 52.11 H new ATOM 0 HA VAL A 93 5.227 -8.165 -3.815 1.00 30.12 H new ATOM 0 HB VAL A 93 3.230 -9.071 -5.012 1.00 10.15 H new ATOM 0 HG11 VAL A 93 1.430 -10.233 -3.741 1.00 14.54 H new ATOM 0 HG12 VAL A 93 2.924 -11.196 -3.833 1.00 14.54 H new ATOM 0 HG13 VAL A 93 2.512 -10.334 -2.332 1.00 14.54 H new ATOM 0 HG21 VAL A 93 1.495 -7.771 -3.800 1.00 33.54 H new ATOM 0 HG22 VAL A 93 2.577 -7.668 -2.391 1.00 33.54 H new ATOM 0 HG23 VAL A 93 3.039 -6.894 -3.925 1.00 33.54 H new ATOM 1531 N GLU A 94 4.961 -8.052 -1.240 1.00 63.31 N ATOM 1532 CA GLU A 94 4.874 -8.024 0.230 1.00 64.13 C ATOM 1533 C GLU A 94 3.402 -7.823 0.607 1.00 21.01 C ATOM 1534 O GLU A 94 2.818 -6.795 0.271 1.00 33.52 O ATOM 1535 CB GLU A 94 5.756 -6.889 0.832 1.00 12.02 C ATOM 1536 CG GLU A 94 7.268 -7.040 0.572 1.00 62.31 C ATOM 1537 CD GLU A 94 7.848 -8.341 1.164 1.00 34.53 C ATOM 1538 OE1 GLU A 94 8.084 -9.311 0.405 1.00 51.04 O ATOM 1539 OE2 GLU A 94 8.064 -8.399 2.396 1.00 14.21 O ATOM 0 H GLU A 94 5.089 -7.134 -1.666 1.00 63.31 H new ATOM 0 HA GLU A 94 5.248 -8.963 0.639 1.00 64.13 H new ATOM 0 HB2 GLU A 94 5.425 -5.935 0.423 1.00 12.02 H new ATOM 0 HB3 GLU A 94 5.589 -6.850 1.908 1.00 12.02 H new ATOM 0 HG2 GLU A 94 7.451 -7.022 -0.502 1.00 62.31 H new ATOM 0 HG3 GLU A 94 7.793 -6.186 1.000 1.00 62.31 H new ATOM 1546 N THR A 95 2.789 -8.827 1.241 1.00 73.43 N ATOM 1547 CA THR A 95 1.395 -8.754 1.709 1.00 44.44 C ATOM 1548 C THR A 95 1.350 -8.905 3.227 1.00 21.22 C ATOM 1549 O THR A 95 2.231 -9.530 3.834 1.00 54.25 O ATOM 1550 CB THR A 95 0.500 -9.868 1.072 1.00 72.23 C ATOM 1551 OG1 THR A 95 1.019 -11.157 1.416 1.00 14.13 O ATOM 1552 CG2 THR A 95 0.417 -9.755 -0.453 1.00 71.42 C ATOM 0 H THR A 95 3.243 -9.717 1.446 1.00 73.43 H new ATOM 0 HA THR A 95 1.005 -7.783 1.405 1.00 44.44 H new ATOM 0 HB THR A 95 -0.506 -9.737 1.470 1.00 72.23 H new ATOM 0 HG1 THR A 95 0.501 -11.530 2.160 1.00 14.13 H new ATOM 0 HG21 THR A 95 -0.216 -10.552 -0.843 1.00 71.42 H new ATOM 0 HG22 THR A 95 -0.008 -8.789 -0.724 1.00 71.42 H new ATOM 0 HG23 THR A 95 1.416 -9.844 -0.879 1.00 71.42 H new ATOM 1560 N ARG A 96 0.314 -8.325 3.827 1.00 13.13 N ATOM 1561 CA ARG A 96 0.007 -8.465 5.246 1.00 44.14 C ATOM 1562 C ARG A 96 -1.467 -8.099 5.455 1.00 43.54 C ATOM 1563 O ARG A 96 -1.940 -7.116 4.874 1.00 71.21 O ATOM 1564 CB ARG A 96 0.939 -7.553 6.097 1.00 10.14 C ATOM 1565 CG ARG A 96 0.687 -7.610 7.621 1.00 73.44 C ATOM 1566 CD ARG A 96 1.666 -6.732 8.418 1.00 73.12 C ATOM 1567 NE ARG A 96 1.366 -6.702 9.855 1.00 25.14 N ATOM 1568 CZ ARG A 96 2.075 -6.027 10.776 1.00 43.24 C ATOM 1569 NH1 ARG A 96 3.154 -5.318 10.431 1.00 61.43 N ATOM 1570 NH2 ARG A 96 1.691 -6.058 12.041 1.00 42.31 N ATOM 0 H ARG A 96 -0.349 -7.732 3.329 1.00 13.13 H new ATOM 0 HA ARG A 96 0.177 -9.492 5.570 1.00 44.14 H new ATOM 0 HB2 ARG A 96 1.974 -7.834 5.903 1.00 10.14 H new ATOM 0 HB3 ARG A 96 0.820 -6.523 5.762 1.00 10.14 H new ATOM 0 HG2 ARG A 96 -0.334 -7.289 7.828 1.00 73.44 H new ATOM 0 HG3 ARG A 96 0.772 -8.642 7.961 1.00 73.44 H new ATOM 0 HD2 ARG A 96 2.681 -7.103 8.271 1.00 73.12 H new ATOM 0 HD3 ARG A 96 1.638 -5.716 8.025 1.00 73.12 H new ATOM 0 HE ARG A 96 0.558 -7.234 10.179 1.00 25.14 H new ATOM 0 HH11 ARG A 96 3.451 -5.283 9.456 1.00 61.43 H new ATOM 0 HH12 ARG A 96 3.681 -4.812 11.143 1.00 61.43 H new ATOM 0 HH21 ARG A 96 0.864 -6.591 12.310 1.00 42.31 H new ATOM 0 HH22 ARG A 96 2.222 -5.549 12.748 1.00 42.31 H new ATOM 1584 N ARG A 97 -2.208 -8.910 6.230 1.00 71.21 N ATOM 1585 CA ARG A 97 -3.589 -8.575 6.601 1.00 12.50 C ATOM 1586 C ARG A 97 -3.577 -7.376 7.564 1.00 31.25 C ATOM 1587 O ARG A 97 -2.716 -7.276 8.449 1.00 40.11 O ATOM 1588 CB ARG A 97 -4.330 -9.768 7.265 1.00 52.35 C ATOM 1589 CG ARG A 97 -5.841 -9.506 7.529 1.00 22.53 C ATOM 1590 CD ARG A 97 -6.445 -10.426 8.600 1.00 5.13 C ATOM 1591 NE ARG A 97 -5.794 -10.229 9.911 1.00 53.31 N ATOM 1592 CZ ARG A 97 -6.413 -10.160 11.110 1.00 12.22 C ATOM 1593 NH1 ARG A 97 -7.737 -10.274 11.213 1.00 33.45 N ATOM 1594 NH2 ARG A 97 -5.695 -9.960 12.203 1.00 32.25 N ATOM 0 H ARG A 97 -1.874 -9.796 6.608 1.00 71.21 H new ATOM 0 HA ARG A 97 -4.127 -8.328 5.686 1.00 12.50 H new ATOM 0 HB2 ARG A 97 -4.230 -10.646 6.626 1.00 52.35 H new ATOM 0 HB3 ARG A 97 -3.842 -10.005 8.211 1.00 52.35 H new ATOM 0 HG2 ARG A 97 -5.973 -8.469 7.836 1.00 22.53 H new ATOM 0 HG3 ARG A 97 -6.392 -9.635 6.598 1.00 22.53 H new ATOM 0 HD2 ARG A 97 -7.513 -10.230 8.690 1.00 5.13 H new ATOM 0 HD3 ARG A 97 -6.337 -11.466 8.291 1.00 5.13 H new ATOM 0 HE ARG A 97 -4.778 -10.136 9.911 1.00 53.31 H new ATOM 0 HH11 ARG A 97 -8.303 -10.416 10.377 1.00 33.45 H new ATOM 0 HH12 ARG A 97 -8.184 -10.219 12.128 1.00 33.45 H new ATOM 0 HH21 ARG A 97 -4.682 -9.859 12.137 1.00 32.25 H new ATOM 0 HH22 ARG A 97 -6.154 -9.907 13.112 1.00 32.25 H new ATOM 1608 N ALA A 98 -4.515 -6.469 7.352 1.00 71.12 N ATOM 1609 CA ALA A 98 -4.755 -5.330 8.229 1.00 12.23 C ATOM 1610 C ALA A 98 -6.249 -5.029 8.175 1.00 61.24 C ATOM 1611 O ALA A 98 -6.769 -4.755 7.097 1.00 24.34 O ATOM 1612 CB ALA A 98 -3.904 -4.129 7.785 1.00 63.13 C ATOM 0 H ALA A 98 -5.145 -6.502 6.550 1.00 71.12 H new ATOM 0 HA ALA A 98 -4.465 -5.549 9.257 1.00 12.23 H new ATOM 0 HB1 ALA A 98 -4.092 -3.285 8.448 1.00 63.13 H new ATOM 0 HB2 ALA A 98 -2.848 -4.396 7.828 1.00 63.13 H new ATOM 0 HB3 ALA A 98 -4.167 -3.854 6.764 1.00 63.13 H new ATOM 1618 N GLN A 99 -6.947 -5.164 9.309 1.00 74.24 N ATOM 1619 CA GLN A 99 -8.392 -4.859 9.387 1.00 11.40 C ATOM 1620 C GLN A 99 -8.595 -3.438 9.915 1.00 13.34 C ATOM 1621 O GLN A 99 -9.203 -2.589 9.250 1.00 24.35 O ATOM 1622 CB GLN A 99 -9.148 -5.900 10.265 1.00 0.12 C ATOM 1623 CG GLN A 99 -9.184 -7.324 9.667 1.00 3.52 C ATOM 1624 CD GLN A 99 -10.052 -8.307 10.460 1.00 64.22 C ATOM 1625 OE1 GLN A 99 -10.177 -8.216 11.682 1.00 42.14 O ATOM 1626 NE2 GLN A 99 -10.664 -9.257 9.773 1.00 22.23 N ATOM 0 H GLN A 99 -6.540 -5.482 10.189 1.00 74.24 H new ATOM 0 HA GLN A 99 -8.813 -4.923 8.384 1.00 11.40 H new ATOM 0 HB2 GLN A 99 -8.676 -5.942 11.247 1.00 0.12 H new ATOM 0 HB3 GLN A 99 -10.171 -5.556 10.417 1.00 0.12 H new ATOM 0 HG2 GLN A 99 -9.556 -7.269 8.644 1.00 3.52 H new ATOM 0 HG3 GLN A 99 -8.167 -7.712 9.616 1.00 3.52 H new ATOM 0 HE21 GLN A 99 -10.545 -9.312 8.761 1.00 22.23 H new ATOM 0 HE22 GLN A 99 -11.255 -9.935 10.255 1.00 22.23 H new ATOM 1635 N ASP A 100 -8.050 -3.184 11.107 1.00 23.21 N ATOM 1636 CA ASP A 100 -8.202 -1.900 11.806 1.00 44.44 C ATOM 1637 C ASP A 100 -7.040 -0.950 11.450 1.00 41.12 C ATOM 1638 O ASP A 100 -5.966 -1.393 11.028 1.00 52.23 O ATOM 1639 CB ASP A 100 -8.276 -2.144 13.342 1.00 14.44 C ATOM 1640 CG ASP A 100 -8.920 -0.968 14.104 1.00 53.44 C ATOM 1641 OD1 ASP A 100 -10.152 -0.995 14.325 1.00 54.14 O ATOM 1642 OD2 ASP A 100 -8.217 0.000 14.462 1.00 15.15 O ATOM 0 H ASP A 100 -7.488 -3.864 11.619 1.00 23.21 H new ATOM 0 HA ASP A 100 -9.129 -1.425 11.485 1.00 44.44 H new ATOM 0 HB2 ASP A 100 -8.848 -3.052 13.534 1.00 14.44 H new ATOM 0 HB3 ASP A 100 -7.270 -2.313 13.727 1.00 14.44 H new ATOM 1647 N LYS A 101 -7.278 0.349 11.670 1.00 70.30 N ATOM 1648 CA LYS A 101 -6.351 1.452 11.340 1.00 44.32 C ATOM 1649 C LYS A 101 -5.014 1.352 12.106 1.00 51.30 C ATOM 1650 O LYS A 101 -3.964 1.733 11.580 1.00 14.52 O ATOM 1651 CB LYS A 101 -7.070 2.792 11.653 1.00 60.32 C ATOM 1652 CG LYS A 101 -7.402 3.009 13.161 1.00 31.13 C ATOM 1653 CD LYS A 101 -8.631 3.921 13.394 1.00 64.14 C ATOM 1654 CE LYS A 101 -9.929 3.276 12.896 1.00 52.43 C ATOM 1655 NZ LYS A 101 -11.111 4.166 13.087 1.00 2.44 N ATOM 0 H LYS A 101 -8.145 0.677 12.095 1.00 70.30 H new ATOM 0 HA LYS A 101 -6.093 1.392 10.283 1.00 44.32 H new ATOM 0 HB2 LYS A 101 -6.443 3.615 11.310 1.00 60.32 H new ATOM 0 HB3 LYS A 101 -7.996 2.836 11.080 1.00 60.32 H new ATOM 0 HG2 LYS A 101 -7.583 2.041 13.629 1.00 31.13 H new ATOM 0 HG3 LYS A 101 -6.535 3.446 13.657 1.00 31.13 H new ATOM 0 HD2 LYS A 101 -8.721 4.142 14.457 1.00 64.14 H new ATOM 0 HD3 LYS A 101 -8.479 4.871 12.882 1.00 64.14 H new ATOM 0 HE2 LYS A 101 -9.828 3.031 11.839 1.00 52.43 H new ATOM 0 HE3 LYS A 101 -10.093 2.338 13.427 1.00 52.43 H new ATOM 0 HZ1 LYS A 101 -11.791 4.010 12.316 1.00 2.44 H new ATOM 0 HZ2 LYS A 101 -11.564 3.950 13.998 1.00 2.44 H new ATOM 0 HZ3 LYS A 101 -10.802 5.159 13.080 1.00 2.44 H new ATOM 1669 N GLU A 102 -5.080 0.822 13.345 1.00 53.12 N ATOM 1670 CA GLU A 102 -3.904 0.625 14.213 1.00 13.32 C ATOM 1671 C GLU A 102 -2.976 -0.464 13.626 1.00 73.02 C ATOM 1672 O GLU A 102 -1.747 -0.304 13.614 1.00 3.12 O ATOM 1673 CB GLU A 102 -4.368 0.291 15.661 1.00 3.15 C ATOM 1674 CG GLU A 102 -5.347 -0.895 15.765 1.00 25.43 C ATOM 1675 CD GLU A 102 -5.949 -1.077 17.171 1.00 11.35 C ATOM 1676 OE1 GLU A 102 -5.468 -1.939 17.944 1.00 3.42 O ATOM 1677 OE2 GLU A 102 -6.908 -0.352 17.508 1.00 45.22 O ATOM 0 H GLU A 102 -5.955 0.518 13.772 1.00 53.12 H new ATOM 0 HA GLU A 102 -3.323 1.546 14.258 1.00 13.32 H new ATOM 0 HB2 GLU A 102 -3.490 0.074 16.269 1.00 3.15 H new ATOM 0 HB3 GLU A 102 -4.842 1.174 16.089 1.00 3.15 H new ATOM 0 HG2 GLU A 102 -6.156 -0.751 15.049 1.00 25.43 H new ATOM 0 HG3 GLU A 102 -4.828 -1.810 15.480 1.00 25.43 H new ATOM 1684 N GLU A 103 -3.599 -1.550 13.105 1.00 23.53 N ATOM 1685 CA GLU A 103 -2.894 -2.641 12.405 1.00 53.01 C ATOM 1686 C GLU A 103 -2.171 -2.111 11.151 1.00 54.33 C ATOM 1687 O GLU A 103 -1.035 -2.507 10.868 1.00 4.41 O ATOM 1688 CB GLU A 103 -3.885 -3.771 12.000 1.00 51.25 C ATOM 1689 CG GLU A 103 -4.720 -4.357 13.160 1.00 23.34 C ATOM 1690 CD GLU A 103 -5.548 -5.582 12.738 1.00 34.42 C ATOM 1691 OE1 GLU A 103 -6.785 -5.482 12.633 1.00 65.12 O ATOM 1692 OE2 GLU A 103 -4.949 -6.652 12.492 1.00 23.31 O ATOM 0 H GLU A 103 -4.608 -1.690 13.161 1.00 23.53 H new ATOM 0 HA GLU A 103 -2.154 -3.051 13.092 1.00 53.01 H new ATOM 0 HB2 GLU A 103 -4.566 -3.382 11.243 1.00 51.25 H new ATOM 0 HB3 GLU A 103 -3.320 -4.579 11.535 1.00 51.25 H new ATOM 0 HG2 GLU A 103 -4.054 -4.638 13.976 1.00 23.34 H new ATOM 0 HG3 GLU A 103 -5.389 -3.587 13.545 1.00 23.34 H new ATOM 1699 N VAL A 104 -2.849 -1.198 10.430 1.00 34.24 N ATOM 1700 CA VAL A 104 -2.340 -0.623 9.176 1.00 20.43 C ATOM 1701 C VAL A 104 -1.104 0.254 9.429 1.00 1.22 C ATOM 1702 O VAL A 104 -0.082 0.065 8.779 1.00 44.43 O ATOM 1703 CB VAL A 104 -3.436 0.224 8.428 1.00 1.41 C ATOM 1704 CG1 VAL A 104 -2.888 0.812 7.107 1.00 72.50 C ATOM 1705 CG2 VAL A 104 -4.707 -0.610 8.167 1.00 13.22 C ATOM 0 H VAL A 104 -3.764 -0.840 10.703 1.00 34.24 H new ATOM 0 HA VAL A 104 -2.061 -1.464 8.541 1.00 20.43 H new ATOM 0 HB VAL A 104 -3.705 1.055 9.080 1.00 1.41 H new ATOM 0 HG11 VAL A 104 -3.669 1.391 6.615 1.00 72.50 H new ATOM 0 HG12 VAL A 104 -2.037 1.459 7.322 1.00 72.50 H new ATOM 0 HG13 VAL A 104 -2.570 0.001 6.452 1.00 72.50 H new ATOM 0 HG21 VAL A 104 -5.445 0.003 7.649 1.00 13.22 H new ATOM 0 HG22 VAL A 104 -4.456 -1.473 7.551 1.00 13.22 H new ATOM 0 HG23 VAL A 104 -5.120 -0.950 9.116 1.00 13.22 H new ATOM 1715 N LYS A 105 -1.204 1.209 10.376 1.00 74.21 N ATOM 1716 CA LYS A 105 -0.116 2.175 10.628 1.00 40.05 C ATOM 1717 C LYS A 105 1.126 1.504 11.242 1.00 72.54 C ATOM 1718 O LYS A 105 2.245 1.961 11.003 1.00 51.32 O ATOM 1719 CB LYS A 105 -0.600 3.391 11.470 1.00 71.42 C ATOM 1720 CG LYS A 105 -1.234 3.065 12.837 1.00 41.14 C ATOM 1721 CD LYS A 105 -1.755 4.341 13.546 1.00 41.34 C ATOM 1722 CE LYS A 105 -2.482 4.048 14.868 1.00 62.11 C ATOM 1723 NZ LYS A 105 -2.907 5.293 15.565 1.00 32.21 N ATOM 0 H LYS A 105 -2.021 1.331 10.975 1.00 74.21 H new ATOM 0 HA LYS A 105 0.188 2.565 9.657 1.00 40.05 H new ATOM 0 HB2 LYS A 105 0.250 4.053 11.636 1.00 71.42 H new ATOM 0 HB3 LYS A 105 -1.327 3.949 10.880 1.00 71.42 H new ATOM 0 HG2 LYS A 105 -2.057 2.364 12.699 1.00 41.14 H new ATOM 0 HG3 LYS A 105 -0.498 2.571 13.471 1.00 41.14 H new ATOM 0 HD2 LYS A 105 -0.915 5.008 13.741 1.00 41.34 H new ATOM 0 HD3 LYS A 105 -2.433 4.869 12.876 1.00 41.34 H new ATOM 0 HE2 LYS A 105 -3.356 3.428 14.670 1.00 62.11 H new ATOM 0 HE3 LYS A 105 -1.826 3.474 15.522 1.00 62.11 H new ATOM 0 HZ1 LYS A 105 -2.896 5.136 16.593 1.00 32.21 H new ATOM 0 HZ2 LYS A 105 -2.253 6.065 15.326 1.00 32.21 H new ATOM 0 HZ3 LYS A 105 -3.869 5.548 15.264 1.00 32.21 H new ATOM 1737 N ASP A 106 0.932 0.444 12.053 1.00 62.34 N ATOM 1738 CA ASP A 106 2.054 -0.413 12.529 1.00 70.31 C ATOM 1739 C ASP A 106 2.712 -1.170 11.360 1.00 73.21 C ATOM 1740 O ASP A 106 3.941 -1.316 11.319 1.00 12.21 O ATOM 1741 CB ASP A 106 1.570 -1.418 13.618 1.00 52.42 C ATOM 1742 CG ASP A 106 1.185 -0.766 14.962 1.00 41.15 C ATOM 1743 OD1 ASP A 106 0.797 -1.511 15.891 1.00 11.33 O ATOM 1744 OD2 ASP A 106 1.277 0.478 15.107 1.00 14.31 O ATOM 0 H ASP A 106 0.015 0.156 12.395 1.00 62.34 H new ATOM 0 HA ASP A 106 2.800 0.245 12.974 1.00 70.31 H new ATOM 0 HB2 ASP A 106 0.709 -1.964 13.233 1.00 52.42 H new ATOM 0 HB3 ASP A 106 2.358 -2.150 13.796 1.00 52.42 H new ATOM 1749 N ALA A 107 1.879 -1.624 10.405 1.00 40.41 N ATOM 1750 CA ALA A 107 2.340 -2.320 9.195 1.00 24.01 C ATOM 1751 C ALA A 107 3.200 -1.383 8.319 1.00 12.05 C ATOM 1752 O ALA A 107 4.274 -1.765 7.855 1.00 3.12 O ATOM 1753 CB ALA A 107 1.134 -2.872 8.410 1.00 22.15 C ATOM 0 H ALA A 107 0.866 -1.517 10.453 1.00 40.41 H new ATOM 0 HA ALA A 107 2.968 -3.161 9.490 1.00 24.01 H new ATOM 0 HB1 ALA A 107 1.486 -3.386 7.516 1.00 22.15 H new ATOM 0 HB2 ALA A 107 0.582 -3.572 9.037 1.00 22.15 H new ATOM 0 HB3 ALA A 107 0.480 -2.049 8.122 1.00 22.15 H new ATOM 1759 N VAL A 108 2.726 -0.135 8.170 1.00 2.43 N ATOM 1760 CA VAL A 108 3.407 0.922 7.400 1.00 22.33 C ATOM 1761 C VAL A 108 4.770 1.242 8.036 1.00 62.51 C ATOM 1762 O VAL A 108 5.798 1.241 7.358 1.00 11.55 O ATOM 1763 CB VAL A 108 2.513 2.221 7.341 1.00 2.44 C ATOM 1764 CG1 VAL A 108 3.271 3.435 6.742 1.00 52.44 C ATOM 1765 CG2 VAL A 108 1.205 1.937 6.561 1.00 12.11 C ATOM 0 H VAL A 108 1.847 0.173 8.586 1.00 2.43 H new ATOM 0 HA VAL A 108 3.568 0.566 6.382 1.00 22.33 H new ATOM 0 HB VAL A 108 2.259 2.491 8.366 1.00 2.44 H new ATOM 0 HG11 VAL A 108 2.612 4.303 6.724 1.00 52.44 H new ATOM 0 HG12 VAL A 108 4.145 3.656 7.354 1.00 52.44 H new ATOM 0 HG13 VAL A 108 3.590 3.200 5.726 1.00 52.44 H new ATOM 0 HG21 VAL A 108 0.597 2.841 6.528 1.00 12.11 H new ATOM 0 HG22 VAL A 108 1.448 1.625 5.545 1.00 12.11 H new ATOM 0 HG23 VAL A 108 0.648 1.144 7.061 1.00 12.11 H new ATOM 1775 N GLU A 109 4.741 1.448 9.365 1.00 55.54 N ATOM 1776 CA GLU A 109 5.914 1.822 10.170 1.00 41.01 C ATOM 1777 C GLU A 109 7.060 0.800 9.989 1.00 22.11 C ATOM 1778 O GLU A 109 8.206 1.182 9.743 1.00 1.12 O ATOM 1779 CB GLU A 109 5.504 1.909 11.663 1.00 22.34 C ATOM 1780 CG GLU A 109 6.556 2.551 12.587 1.00 11.00 C ATOM 1781 CD GLU A 109 6.230 2.395 14.084 1.00 53.21 C ATOM 1782 OE1 GLU A 109 5.135 2.810 14.512 1.00 13.33 O ATOM 1783 OE2 GLU A 109 7.064 1.851 14.839 1.00 1.14 O ATOM 0 H GLU A 109 3.888 1.357 9.917 1.00 55.54 H new ATOM 0 HA GLU A 109 6.276 2.793 9.833 1.00 41.01 H new ATOM 0 HB2 GLU A 109 4.579 2.480 11.738 1.00 22.34 H new ATOM 0 HB3 GLU A 109 5.289 0.904 12.025 1.00 22.34 H new ATOM 0 HG2 GLU A 109 7.529 2.102 12.386 1.00 11.00 H new ATOM 0 HG3 GLU A 109 6.639 3.611 12.349 1.00 11.00 H new ATOM 1790 N GLU A 110 6.701 -0.500 10.067 1.00 75.41 N ATOM 1791 CA GLU A 110 7.659 -1.622 9.937 1.00 74.53 C ATOM 1792 C GLU A 110 8.149 -1.794 8.490 1.00 21.54 C ATOM 1793 O GLU A 110 9.316 -2.129 8.268 1.00 62.30 O ATOM 1794 CB GLU A 110 7.016 -2.932 10.447 1.00 30.31 C ATOM 1795 CG GLU A 110 6.736 -2.938 11.960 1.00 32.42 C ATOM 1796 CD GLU A 110 6.139 -4.260 12.445 1.00 15.23 C ATOM 1797 OE1 GLU A 110 4.898 -4.349 12.592 1.00 4.23 O ATOM 1798 OE2 GLU A 110 6.906 -5.224 12.669 1.00 2.22 O ATOM 0 H GLU A 110 5.739 -0.802 10.222 1.00 75.41 H new ATOM 0 HA GLU A 110 8.529 -1.386 10.549 1.00 74.53 H new ATOM 0 HB2 GLU A 110 6.080 -3.098 9.913 1.00 30.31 H new ATOM 0 HB3 GLU A 110 7.674 -3.767 10.205 1.00 30.31 H new ATOM 0 HG2 GLU A 110 7.664 -2.744 12.498 1.00 32.42 H new ATOM 0 HG3 GLU A 110 6.052 -2.125 12.202 1.00 32.42 H new ATOM 1805 N PHE A 111 7.248 -1.542 7.518 1.00 34.31 N ATOM 1806 CA PHE A 111 7.557 -1.632 6.073 1.00 2.21 C ATOM 1807 C PHE A 111 8.667 -0.629 5.710 1.00 11.31 C ATOM 1808 O PHE A 111 9.501 -0.900 4.848 1.00 15.01 O ATOM 1809 CB PHE A 111 6.269 -1.367 5.230 1.00 34.04 C ATOM 1810 CG PHE A 111 6.432 -1.468 3.705 1.00 44.32 C ATOM 1811 CD1 PHE A 111 6.835 -2.660 3.109 1.00 62.14 C ATOM 1812 CD2 PHE A 111 6.147 -0.387 2.869 1.00 45.00 C ATOM 1813 CE1 PHE A 111 6.963 -2.769 1.738 1.00 61.33 C ATOM 1814 CE2 PHE A 111 6.276 -0.495 1.492 1.00 23.44 C ATOM 1815 CZ PHE A 111 6.680 -1.687 0.927 1.00 30.32 C ATOM 0 H PHE A 111 6.284 -1.270 7.712 1.00 34.31 H new ATOM 0 HA PHE A 111 7.913 -2.637 5.845 1.00 2.21 H new ATOM 0 HB2 PHE A 111 5.502 -2.076 5.542 1.00 34.04 H new ATOM 0 HB3 PHE A 111 5.899 -0.371 5.471 1.00 34.04 H new ATOM 0 HD1 PHE A 111 7.052 -3.516 3.731 1.00 62.14 H new ATOM 0 HD2 PHE A 111 5.821 0.548 3.301 1.00 45.00 H new ATOM 0 HE1 PHE A 111 7.285 -3.702 1.299 1.00 61.33 H new ATOM 0 HE2 PHE A 111 6.060 0.355 0.862 1.00 23.44 H new ATOM 0 HZ PHE A 111 6.775 -1.774 -0.145 1.00 30.32 H new ATOM 1825 N LEU A 112 8.653 0.530 6.395 1.00 13.44 N ATOM 1826 CA LEU A 112 9.635 1.605 6.179 1.00 74.42 C ATOM 1827 C LEU A 112 10.938 1.373 6.971 1.00 14.33 C ATOM 1828 O LEU A 112 12.027 1.510 6.405 1.00 30.43 O ATOM 1829 CB LEU A 112 8.993 2.977 6.527 1.00 74.21 C ATOM 1830 CG LEU A 112 7.624 3.264 5.827 1.00 41.40 C ATOM 1831 CD1 LEU A 112 7.128 4.688 6.104 1.00 32.13 C ATOM 1832 CD2 LEU A 112 7.672 2.963 4.317 1.00 75.32 C ATOM 0 H LEU A 112 7.961 0.746 7.112 1.00 13.44 H new ATOM 0 HA LEU A 112 9.915 1.603 5.126 1.00 74.42 H new ATOM 0 HB2 LEU A 112 8.850 3.031 7.606 1.00 74.21 H new ATOM 0 HB3 LEU A 112 9.694 3.767 6.258 1.00 74.21 H new ATOM 0 HG LEU A 112 6.898 2.579 6.265 1.00 41.40 H new ATOM 0 HD11 LEU A 112 6.175 4.846 5.600 1.00 32.13 H new ATOM 0 HD12 LEU A 112 6.998 4.826 7.177 1.00 32.13 H new ATOM 0 HD13 LEU A 112 7.858 5.406 5.732 1.00 32.13 H new ATOM 0 HD21 LEU A 112 6.700 3.177 3.872 1.00 75.32 H new ATOM 0 HD22 LEU A 112 8.432 3.587 3.846 1.00 75.32 H new ATOM 0 HD23 LEU A 112 7.918 1.912 4.163 1.00 75.32 H new ATOM 1844 N LYS A 113 10.830 0.986 8.269 1.00 3.45 N ATOM 1845 CA LYS A 113 12.021 0.776 9.138 1.00 1.30 C ATOM 1846 C LYS A 113 12.892 -0.387 8.636 1.00 55.45 C ATOM 1847 O LYS A 113 14.118 -0.364 8.781 1.00 31.20 O ATOM 1848 CB LYS A 113 11.625 0.535 10.624 1.00 32.34 C ATOM 1849 CG LYS A 113 10.983 1.748 11.344 1.00 22.13 C ATOM 1850 CD LYS A 113 10.895 1.554 12.879 1.00 2.24 C ATOM 1851 CE LYS A 113 10.081 2.652 13.585 1.00 42.10 C ATOM 1852 NZ LYS A 113 10.564 4.026 13.297 1.00 74.34 N ATOM 0 H LYS A 113 9.939 0.814 8.735 1.00 3.45 H new ATOM 0 HA LYS A 113 12.603 1.696 9.085 1.00 1.30 H new ATOM 0 HB2 LYS A 113 10.928 -0.302 10.666 1.00 32.34 H new ATOM 0 HB3 LYS A 113 12.516 0.236 11.176 1.00 32.34 H new ATOM 0 HG2 LYS A 113 11.565 2.644 11.128 1.00 22.13 H new ATOM 0 HG3 LYS A 113 9.982 1.914 10.945 1.00 22.13 H new ATOM 0 HD2 LYS A 113 10.444 0.584 13.091 1.00 2.24 H new ATOM 0 HD3 LYS A 113 11.903 1.535 13.294 1.00 2.24 H new ATOM 0 HE2 LYS A 113 9.037 2.571 13.281 1.00 42.10 H new ATOM 0 HE3 LYS A 113 10.114 2.482 14.661 1.00 42.10 H new ATOM 0 HZ1 LYS A 113 10.264 4.666 14.059 1.00 74.34 H new ATOM 0 HZ2 LYS A 113 11.602 4.023 13.236 1.00 74.34 H new ATOM 0 HZ3 LYS A 113 10.165 4.352 12.394 1.00 74.34 H new ATOM 1866 N GLU A 114 12.244 -1.396 8.050 1.00 45.03 N ATOM 1867 CA GLU A 114 12.925 -2.577 7.499 1.00 42.52 C ATOM 1868 C GLU A 114 13.170 -2.421 5.985 1.00 54.14 C ATOM 1869 O GLU A 114 14.012 -3.124 5.416 1.00 34.31 O ATOM 1870 CB GLU A 114 12.083 -3.842 7.797 1.00 61.51 C ATOM 1871 CG GLU A 114 11.841 -4.097 9.305 1.00 2.15 C ATOM 1872 CD GLU A 114 13.143 -4.273 10.117 1.00 23.11 C ATOM 1873 OE1 GLU A 114 13.534 -3.343 10.860 1.00 34.31 O ATOM 1874 OE2 GLU A 114 13.784 -5.347 10.002 1.00 72.34 O ATOM 0 H GLU A 114 11.230 -1.420 7.942 1.00 45.03 H new ATOM 0 HA GLU A 114 13.900 -2.678 7.976 1.00 42.52 H new ATOM 0 HB2 GLU A 114 11.120 -3.751 7.295 1.00 61.51 H new ATOM 0 HB3 GLU A 114 12.585 -4.709 7.368 1.00 61.51 H new ATOM 0 HG2 GLU A 114 11.273 -3.264 9.720 1.00 2.15 H new ATOM 0 HG3 GLU A 114 11.227 -4.990 9.420 1.00 2.15 H new