USER MOD reduce.3.24.130724 H: found=0, std=0, add=840, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 839 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: X 6 SER OG : rot 180:sc= 0 USER MOD Set 1.2: X 8 HIS : no HD1:sc= 0 X(o=0,f=-0.13) USER MOD Single : X 1 MET CE :methyl 157:sc= -0.109 (180deg=-0.858) USER MOD Single : X 1 MET N :NH3+ -128:sc= -0.118 (180deg=-0.654) USER MOD Single : X 3 GLN : amide:sc= -0.15 X(o=-0.15,f=-0.36) USER MOD Single : X 7 GLN : amide:sc= -0.309 X(o=-0.31,f=-0.24) USER MOD Single : X 11 TYR OH : rot 180:sc= 0 USER MOD Single : X 14 GLN : amide:sc= -0.0638 K(o=-0.064,f=-2.4!) USER MOD Single : X 16 LYS NZ :NH3+ -116:sc= 0 (180deg=-0.512) USER MOD Single : X 17 GLN : amide:sc= -0.166 K(o=-0.17,f=-0.91) USER MOD Single : X 20 LYS NZ :NH3+ -163:sc= -0.0116 (180deg=-0.332) USER MOD Single : X 21 THR OG1 : rot 9:sc= 0.912 USER MOD Single : X 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : X 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : X 28 TYR OH : rot 180:sc= 0 USER MOD Single : X 33 LYS NZ :NH3+ -167:sc= 0 (180deg=-0.241) USER MOD Single : X 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : X 41 THR OG1 : rot -76:sc= 0.142 USER MOD Single : X 42 CYS SG : rot 77:sc= -7.64! USER MOD Single : X 47 GLN : amide:sc= -3.17! C(o=-3.2!,f=-10!) USER MOD Single : X 50 THR OG1 : rot 180:sc= 0 USER MOD Single : X 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : X 62 CYS SG : rot 82:sc= 0.932 USER MOD Single : X 64 GLN : amide:sc= -4.22! C(o=-4.2!,f=-5.2!) USER MOD Single : X 66 TYR OH : rot 180:sc= 0 USER MOD Single : X 67 TYR OH : rot 180:sc= 0 USER MOD Single : X 68 ASN :FLIP amide:sc= -0.678 F(o=-2!,f=-0.68) USER MOD Single : X 69 THR OG1 : rot -105:sc= -0.727 USER MOD Single : X 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : X 78 THR OG1 : rot 180:sc= -0.317 USER MOD Single : X 81 SER OG : rot -34:sc= 0.87 USER MOD Single : X 82 TYR OH : rot 180:sc= -2.02 USER MOD Single : X 84 ASN : amide:sc= -0.114 K(o=-0.11,f=-2.1!) USER MOD Single : X 87 LYS NZ :NH3+ 173:sc= 1.37 (180deg=1.24) USER MOD Single : X 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : X 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : X 96 ASN :FLIP amide:sc= -0.689 F(o=-1.2,f=-0.69) USER MOD Single : X 98 GLN : amide:sc= 0 K(o=0,f=-1.2) USER MOD Single : X 100 MET CE :methyl 135:sc= -0.139 (180deg=-0.933) USER MOD ----------------------------------------------------------------- ATOM 1 N MET X 1 66.605 -9.716 -14.347 1.00 1.00 N ATOM 2 CA MET X 1 66.313 -8.655 -15.351 1.00 1.00 C ATOM 3 C MET X 1 65.472 -7.562 -14.698 1.00 1.00 C ATOM 4 O MET X 1 64.402 -7.833 -14.152 1.00 1.00 O ATOM 5 CB MET X 1 65.548 -9.270 -16.525 1.00 1.00 C ATOM 6 CG MET X 1 66.456 -10.257 -17.260 1.00 1.00 C ATOM 7 SD MET X 1 65.527 -11.056 -18.597 1.00 1.00 S ATOM 8 CE MET X 1 65.336 -9.612 -19.676 1.00 1.00 C ATOM 0 H1 MET X 1 67.629 -9.898 -14.322 1.00 1.00 H new ATOM 0 H2 MET X 1 66.286 -9.402 -13.408 1.00 1.00 H new ATOM 0 H3 MET X 1 66.104 -10.589 -14.609 1.00 1.00 H new ATOM 0 HA MET X 1 67.244 -8.222 -15.716 1.00 1.00 H new ATOM 0 HB2 MET X 1 64.654 -9.780 -16.164 1.00 1.00 H new ATOM 0 HB3 MET X 1 65.215 -8.487 -17.207 1.00 1.00 H new ATOM 0 HG2 MET X 1 67.323 -9.736 -17.666 1.00 1.00 H new ATOM 0 HG3 MET X 1 66.832 -11.008 -16.565 1.00 1.00 H new ATOM 0 HE1 MET X 1 65.167 -9.943 -20.701 1.00 1.00 H new ATOM 0 HE2 MET X 1 64.485 -9.018 -19.342 1.00 1.00 H new ATOM 0 HE3 MET X 1 66.241 -9.005 -19.635 1.00 1.00 H new ATOM 20 N GLY X 2 65.963 -6.329 -14.759 1.00 1.00 N ATOM 21 CA GLY X 2 65.248 -5.202 -14.169 1.00 1.00 C ATOM 22 C GLY X 2 65.647 -5.005 -12.710 1.00 1.00 C ATOM 23 O GLY X 2 65.114 -4.135 -12.023 1.00 1.00 O ATOM 0 H GLY X 2 66.846 -6.085 -15.207 1.00 1.00 H new ATOM 0 HA2 GLY X 2 65.462 -4.295 -14.734 1.00 1.00 H new ATOM 0 HA3 GLY X 2 64.174 -5.373 -14.236 1.00 1.00 H new ATOM 27 N GLN X 3 66.588 -5.819 -12.245 1.00 1.00 N ATOM 28 CA GLN X 3 67.048 -5.728 -10.864 1.00 1.00 C ATOM 29 C GLN X 3 67.707 -4.376 -10.607 1.00 1.00 C ATOM 30 O GLN X 3 67.647 -3.846 -9.497 1.00 1.00 O ATOM 31 CB GLN X 3 68.050 -6.849 -10.572 1.00 1.00 C ATOM 32 CG GLN X 3 67.371 -8.211 -10.755 1.00 1.00 C ATOM 33 CD GLN X 3 66.266 -8.389 -9.720 1.00 1.00 C ATOM 34 OE1 GLN X 3 66.486 -8.162 -8.530 1.00 1.00 O ATOM 35 NE2 GLN X 3 65.082 -8.784 -10.104 1.00 1.00 N ATOM 0 H GLN X 3 67.044 -6.544 -12.799 1.00 1.00 H new ATOM 0 HA GLN X 3 66.185 -5.831 -10.206 1.00 1.00 H new ATOM 0 HB2 GLN X 3 68.907 -6.767 -11.240 1.00 1.00 H new ATOM 0 HB3 GLN X 3 68.429 -6.755 -9.554 1.00 1.00 H new ATOM 0 HG2 GLN X 3 66.955 -8.286 -11.759 1.00 1.00 H new ATOM 0 HG3 GLN X 3 68.106 -9.009 -10.654 1.00 1.00 H new ATOM 0 HE21 GLN X 3 64.902 -8.971 -11.090 1.00 1.00 H new ATOM 0 HE22 GLN X 3 64.337 -8.905 -9.418 1.00 1.00 H new ATOM 44 N GLU X 4 68.333 -3.828 -11.639 1.00 1.00 N ATOM 45 CA GLU X 4 69.003 -2.535 -11.521 1.00 1.00 C ATOM 46 C GLU X 4 67.994 -1.437 -11.196 1.00 1.00 C ATOM 47 O GLU X 4 67.419 -0.826 -12.097 1.00 1.00 O ATOM 48 CB GLU X 4 69.713 -2.201 -12.834 1.00 1.00 C ATOM 49 CG GLU X 4 70.864 -3.183 -13.055 1.00 1.00 C ATOM 50 CD GLU X 4 71.488 -2.955 -14.427 1.00 1.00 C ATOM 51 OE1 GLU X 4 70.983 -2.115 -15.153 1.00 1.00 O ATOM 52 OE2 GLU X 4 72.457 -3.628 -14.735 1.00 1.00 O ATOM 0 H GLU X 4 68.393 -4.254 -12.564 1.00 1.00 H new ATOM 0 HA GLU X 4 69.732 -2.594 -10.713 1.00 1.00 H new ATOM 0 HB2 GLU X 4 69.009 -2.256 -13.665 1.00 1.00 H new ATOM 0 HB3 GLU X 4 70.093 -1.180 -12.805 1.00 1.00 H new ATOM 0 HG2 GLU X 4 71.617 -3.054 -12.278 1.00 1.00 H new ATOM 0 HG3 GLU X 4 70.499 -4.207 -12.978 1.00 1.00 H new ATOM 59 N LEU X 5 67.775 -1.199 -9.907 1.00 1.00 N ATOM 60 CA LEU X 5 66.820 -0.181 -9.485 1.00 1.00 C ATOM 61 C LEU X 5 67.278 1.205 -9.931 1.00 1.00 C ATOM 62 O LEU X 5 66.498 1.983 -10.480 1.00 1.00 O ATOM 63 CB LEU X 5 66.704 -0.201 -7.960 1.00 1.00 C ATOM 64 CG LEU X 5 66.251 -1.589 -7.493 1.00 1.00 C ATOM 65 CD1 LEU X 5 66.195 -1.625 -5.964 1.00 1.00 C ATOM 66 CD2 LEU X 5 64.865 -1.912 -8.059 1.00 1.00 C ATOM 0 H LEU X 5 68.240 -1.691 -9.144 1.00 1.00 H new ATOM 0 HA LEU X 5 65.854 -0.397 -9.941 1.00 1.00 H new ATOM 0 HB2 LEU X 5 67.665 0.049 -7.510 1.00 1.00 H new ATOM 0 HB3 LEU X 5 65.991 0.555 -7.630 1.00 1.00 H new ATOM 0 HG LEU X 5 66.965 -2.330 -7.852 1.00 1.00 H new ATOM 0 HD11 LEU X 5 65.873 -2.613 -5.635 1.00 1.00 H new ATOM 0 HD12 LEU X 5 67.184 -1.412 -5.559 1.00 1.00 H new ATOM 0 HD13 LEU X 5 65.488 -0.875 -5.608 1.00 1.00 H new ATOM 0 HD21 LEU X 5 64.555 -2.900 -7.720 1.00 1.00 H new ATOM 0 HD22 LEU X 5 64.148 -1.168 -7.712 1.00 1.00 H new ATOM 0 HD23 LEU X 5 64.904 -1.898 -9.148 1.00 1.00 H new ATOM 78 N SER X 6 68.548 1.504 -9.688 1.00 1.00 N ATOM 79 CA SER X 6 69.107 2.796 -10.067 1.00 1.00 C ATOM 80 C SER X 6 70.596 2.671 -10.364 1.00 1.00 C ATOM 81 O SER X 6 71.145 1.571 -10.389 1.00 1.00 O ATOM 82 CB SER X 6 68.884 3.814 -8.951 1.00 1.00 C ATOM 83 OG SER X 6 69.231 3.230 -7.703 1.00 1.00 O ATOM 0 H SER X 6 69.208 0.873 -9.233 1.00 1.00 H new ATOM 0 HA SER X 6 68.599 3.138 -10.969 1.00 1.00 H new ATOM 0 HB2 SER X 6 69.488 4.704 -9.129 1.00 1.00 H new ATOM 0 HB3 SER X 6 67.842 4.134 -8.938 1.00 1.00 H new ATOM 0 HG SER X 6 69.090 3.883 -6.986 1.00 1.00 H new ATOM 89 N GLN X 7 71.244 3.810 -10.577 1.00 1.00 N ATOM 90 CA GLN X 7 72.671 3.821 -10.862 1.00 1.00 C ATOM 91 C GLN X 7 73.453 3.273 -9.672 1.00 1.00 C ATOM 92 O GLN X 7 74.563 2.774 -9.830 1.00 1.00 O ATOM 93 CB GLN X 7 73.132 5.249 -11.177 1.00 1.00 C ATOM 94 CG GLN X 7 74.598 5.242 -11.622 1.00 1.00 C ATOM 95 CD GLN X 7 74.750 4.460 -12.923 1.00 1.00 C ATOM 96 OE1 GLN X 7 74.139 4.810 -13.934 1.00 1.00 O ATOM 97 NE2 GLN X 7 75.521 3.408 -12.956 1.00 1.00 N ATOM 0 H GLN X 7 70.807 4.731 -10.558 1.00 1.00 H new ATOM 0 HA GLN X 7 72.859 3.186 -11.728 1.00 1.00 H new ATOM 0 HB2 GLN X 7 72.508 5.676 -11.962 1.00 1.00 H new ATOM 0 HB3 GLN X 7 73.014 5.880 -10.296 1.00 1.00 H new ATOM 0 HG2 GLN X 7 74.948 6.265 -11.761 1.00 1.00 H new ATOM 0 HG3 GLN X 7 75.219 4.795 -10.846 1.00 1.00 H new ATOM 0 HE21 GLN X 7 76.026 3.119 -12.118 1.00 1.00 H new ATOM 0 HE22 GLN X 7 75.619 2.874 -13.820 1.00 1.00 H new ATOM 106 N HIS X 8 72.873 3.382 -8.479 1.00 1.00 N ATOM 107 CA HIS X 8 73.539 2.903 -7.274 1.00 1.00 C ATOM 108 C HIS X 8 73.833 1.410 -7.374 1.00 1.00 C ATOM 109 O HIS X 8 74.963 0.976 -7.150 1.00 1.00 O ATOM 110 CB HIS X 8 72.657 3.163 -6.053 1.00 1.00 C ATOM 111 CG HIS X 8 72.652 4.633 -5.738 1.00 1.00 C ATOM 112 ND1 HIS X 8 71.811 5.526 -6.383 1.00 1.00 N ATOM 113 CD2 HIS X 8 73.379 5.382 -4.845 1.00 1.00 C ATOM 114 CE1 HIS X 8 72.048 6.748 -5.874 1.00 1.00 C ATOM 115 NE2 HIS X 8 72.995 6.717 -4.933 1.00 1.00 N ATOM 0 H HIS X 8 71.953 3.794 -8.323 1.00 1.00 H new ATOM 0 HA HIS X 8 74.481 3.441 -7.169 1.00 1.00 H new ATOM 0 HB2 HIS X 8 71.641 2.819 -6.246 1.00 1.00 H new ATOM 0 HB3 HIS X 8 73.028 2.599 -5.197 1.00 1.00 H new ATOM 0 HD2 HIS X 8 74.133 4.994 -4.177 1.00 1.00 H new ATOM 0 HE1 HIS X 8 71.535 7.645 -6.188 1.00 1.00 H new ATOM 0 HE2 HIS X 8 73.359 7.503 -4.394 1.00 1.00 H new ATOM 123 N GLU X 9 72.816 0.630 -7.725 1.00 1.00 N ATOM 124 CA GLU X 9 72.991 -0.808 -7.863 1.00 1.00 C ATOM 125 C GLU X 9 73.962 -1.121 -8.996 1.00 1.00 C ATOM 126 O GLU X 9 74.781 -2.028 -8.896 1.00 1.00 O ATOM 127 CB GLU X 9 71.643 -1.468 -8.138 1.00 1.00 C ATOM 128 CG GLU X 9 70.824 -1.525 -6.846 1.00 1.00 C ATOM 129 CD GLU X 9 69.491 -2.215 -7.106 1.00 1.00 C ATOM 130 OE1 GLU X 9 69.263 -2.615 -8.236 1.00 1.00 O ATOM 131 OE2 GLU X 9 68.720 -2.344 -6.170 1.00 1.00 O ATOM 0 H GLU X 9 71.872 0.966 -7.917 1.00 1.00 H new ATOM 0 HA GLU X 9 73.403 -1.201 -6.933 1.00 1.00 H new ATOM 0 HB2 GLU X 9 71.101 -0.907 -8.899 1.00 1.00 H new ATOM 0 HB3 GLU X 9 71.793 -2.474 -8.530 1.00 1.00 H new ATOM 0 HG2 GLU X 9 71.378 -2.064 -6.077 1.00 1.00 H new ATOM 0 HG3 GLU X 9 70.654 -0.517 -6.468 1.00 1.00 H new ATOM 138 N ARG X 10 73.868 -0.366 -10.078 1.00 1.00 N ATOM 139 CA ARG X 10 74.753 -0.577 -11.212 1.00 1.00 C ATOM 140 C ARG X 10 76.195 -0.219 -10.848 1.00 1.00 C ATOM 141 O ARG X 10 77.139 -0.835 -11.340 1.00 1.00 O ATOM 142 CB ARG X 10 74.291 0.268 -12.396 1.00 1.00 C ATOM 143 CG ARG X 10 72.940 -0.253 -12.885 1.00 1.00 C ATOM 144 CD ARG X 10 72.526 0.514 -14.140 1.00 1.00 C ATOM 145 NE ARG X 10 72.263 1.912 -13.816 1.00 1.00 N ATOM 146 CZ ARG X 10 71.061 2.317 -13.422 1.00 1.00 C ATOM 147 NH1 ARG X 10 70.084 1.458 -13.318 1.00 1.00 N ATOM 148 NH2 ARG X 10 70.857 3.575 -13.138 1.00 1.00 N ATOM 0 H ARG X 10 73.195 0.391 -10.195 1.00 1.00 H new ATOM 0 HA ARG X 10 74.718 -1.631 -11.486 1.00 1.00 H new ATOM 0 HB2 ARG X 10 74.206 1.314 -12.101 1.00 1.00 H new ATOM 0 HB3 ARG X 10 75.025 0.222 -13.200 1.00 1.00 H new ATOM 0 HG2 ARG X 10 73.006 -1.319 -13.102 1.00 1.00 H new ATOM 0 HG3 ARG X 10 72.187 -0.132 -12.106 1.00 1.00 H new ATOM 0 HD2 ARG X 10 73.314 0.450 -14.890 1.00 1.00 H new ATOM 0 HD3 ARG X 10 71.635 0.060 -14.574 1.00 1.00 H new ATOM 0 HE ARG X 10 73.018 2.593 -13.894 1.00 1.00 H new ATOM 0 HH11 ARG X 10 70.243 0.475 -13.539 1.00 1.00 H new ATOM 0 HH12 ARG X 10 69.161 1.770 -13.015 1.00 1.00 H new ATOM 0 HH21 ARG X 10 71.621 4.246 -13.219 1.00 1.00 H new ATOM 0 HH22 ARG X 10 69.934 3.886 -12.835 1.00 1.00 H new ATOM 162 N TYR X 11 76.355 0.797 -10.004 1.00 1.00 N ATOM 163 CA TYR X 11 77.685 1.250 -9.603 1.00 1.00 C ATOM 164 C TYR X 11 78.457 0.146 -8.884 1.00 1.00 C ATOM 165 O TYR X 11 79.597 -0.160 -9.239 1.00 1.00 O ATOM 166 CB TYR X 11 77.554 2.458 -8.671 1.00 1.00 C ATOM 167 CG TYR X 11 78.924 2.868 -8.188 1.00 1.00 C ATOM 168 CD1 TYR X 11 79.778 3.575 -9.042 1.00 1.00 C ATOM 169 CD2 TYR X 11 79.341 2.543 -6.892 1.00 1.00 C ATOM 170 CE1 TYR X 11 81.051 3.957 -8.601 1.00 1.00 C ATOM 171 CE2 TYR X 11 80.614 2.925 -6.450 1.00 1.00 C ATOM 172 CZ TYR X 11 81.468 3.631 -7.305 1.00 1.00 C ATOM 173 OH TYR X 11 82.721 4.010 -6.869 1.00 1.00 O ATOM 0 H TYR X 11 75.585 1.320 -9.586 1.00 1.00 H new ATOM 0 HA TYR X 11 78.234 1.523 -10.504 1.00 1.00 H new ATOM 0 HB2 TYR X 11 77.078 3.286 -9.196 1.00 1.00 H new ATOM 0 HB3 TYR X 11 76.916 2.210 -7.823 1.00 1.00 H new ATOM 0 HD1 TYR X 11 79.455 3.826 -10.042 1.00 1.00 H new ATOM 0 HD2 TYR X 11 78.681 1.998 -6.233 1.00 1.00 H new ATOM 0 HE1 TYR X 11 81.710 4.502 -9.260 1.00 1.00 H new ATOM 0 HE2 TYR X 11 80.936 2.675 -5.450 1.00 1.00 H new ATOM 0 HH TYR X 11 82.852 3.706 -5.946 1.00 1.00 H new ATOM 183 N VAL X 12 77.830 -0.449 -7.875 1.00 1.00 N ATOM 184 CA VAL X 12 78.470 -1.511 -7.110 1.00 1.00 C ATOM 185 C VAL X 12 78.750 -2.712 -8.007 1.00 1.00 C ATOM 186 O VAL X 12 79.727 -3.434 -7.809 1.00 1.00 O ATOM 187 CB VAL X 12 77.581 -1.924 -5.930 1.00 1.00 C ATOM 188 CG1 VAL X 12 76.610 -3.019 -6.362 1.00 1.00 C ATOM 189 CG2 VAL X 12 78.458 -2.452 -4.799 1.00 1.00 C ATOM 0 H VAL X 12 76.885 -0.215 -7.570 1.00 1.00 H new ATOM 0 HA VAL X 12 79.417 -1.139 -6.720 1.00 1.00 H new ATOM 0 HB VAL X 12 77.015 -1.056 -5.590 1.00 1.00 H new ATOM 0 HG11 VAL X 12 75.984 -3.304 -5.517 1.00 1.00 H new ATOM 0 HG12 VAL X 12 75.980 -2.649 -7.171 1.00 1.00 H new ATOM 0 HG13 VAL X 12 77.171 -3.887 -6.707 1.00 1.00 H new ATOM 0 HG21 VAL X 12 77.830 -2.747 -3.958 1.00 1.00 H new ATOM 0 HG22 VAL X 12 79.023 -3.316 -5.150 1.00 1.00 H new ATOM 0 HG23 VAL X 12 79.149 -1.672 -4.480 1.00 1.00 H new ATOM 199 N GLU X 13 77.886 -2.920 -8.996 1.00 1.00 N ATOM 200 CA GLU X 13 78.053 -4.035 -9.923 1.00 1.00 C ATOM 201 C GLU X 13 79.308 -3.848 -10.770 1.00 1.00 C ATOM 202 O GLU X 13 80.024 -4.808 -11.060 1.00 1.00 O ATOM 203 CB GLU X 13 76.826 -4.149 -10.833 1.00 1.00 C ATOM 204 CG GLU X 13 75.680 -4.810 -10.065 1.00 1.00 C ATOM 205 CD GLU X 13 74.428 -4.856 -10.934 1.00 1.00 C ATOM 206 OE1 GLU X 13 74.495 -4.389 -12.060 1.00 1.00 O ATOM 207 OE2 GLU X 13 73.421 -5.363 -10.465 1.00 1.00 O ATOM 0 H GLU X 13 77.069 -2.336 -9.176 1.00 1.00 H new ATOM 0 HA GLU X 13 78.158 -4.952 -9.343 1.00 1.00 H new ATOM 0 HB2 GLU X 13 76.524 -3.161 -11.179 1.00 1.00 H new ATOM 0 HB3 GLU X 13 77.070 -4.736 -11.719 1.00 1.00 H new ATOM 0 HG2 GLU X 13 75.964 -5.820 -9.769 1.00 1.00 H new ATOM 0 HG3 GLU X 13 75.477 -4.255 -9.149 1.00 1.00 H new ATOM 214 N GLN X 14 79.574 -2.607 -11.153 1.00 1.00 N ATOM 215 CA GLN X 14 80.752 -2.307 -11.958 1.00 1.00 C ATOM 216 C GLN X 14 82.018 -2.592 -11.165 1.00 1.00 C ATOM 217 O GLN X 14 83.005 -3.093 -11.706 1.00 1.00 O ATOM 218 CB GLN X 14 80.730 -0.840 -12.393 1.00 1.00 C ATOM 219 CG GLN X 14 79.636 -0.634 -13.443 1.00 1.00 C ATOM 220 CD GLN X 14 79.458 0.854 -13.726 1.00 1.00 C ATOM 221 OE1 GLN X 14 79.142 1.621 -12.816 1.00 1.00 O ATOM 222 NE2 GLN X 14 79.637 1.311 -14.935 1.00 1.00 N ATOM 0 H GLN X 14 78.997 -1.798 -10.923 1.00 1.00 H new ATOM 0 HA GLN X 14 80.741 -2.942 -12.844 1.00 1.00 H new ATOM 0 HB2 GLN X 14 80.548 -0.197 -11.532 1.00 1.00 H new ATOM 0 HB3 GLN X 14 81.700 -0.557 -12.803 1.00 1.00 H new ATOM 0 HG2 GLN X 14 79.899 -1.158 -14.362 1.00 1.00 H new ATOM 0 HG3 GLN X 14 78.697 -1.060 -13.090 1.00 1.00 H new ATOM 0 HE21 GLN X 14 79.899 0.674 -15.687 1.00 1.00 H new ATOM 0 HE22 GLN X 14 79.515 2.305 -15.128 1.00 1.00 H new ATOM 231 N LEU X 15 81.980 -2.272 -9.881 1.00 1.00 N ATOM 232 CA LEU X 15 83.127 -2.503 -9.021 1.00 1.00 C ATOM 233 C LEU X 15 83.420 -3.991 -8.925 1.00 1.00 C ATOM 234 O LEU X 15 84.569 -4.398 -8.949 1.00 1.00 O ATOM 235 CB LEU X 15 82.861 -1.955 -7.624 1.00 1.00 C ATOM 236 CG LEU X 15 82.724 -0.431 -7.690 1.00 1.00 C ATOM 237 CD1 LEU X 15 82.279 0.100 -6.330 1.00 1.00 C ATOM 238 CD2 LEU X 15 84.069 0.212 -8.057 1.00 1.00 C ATOM 0 H LEU X 15 81.174 -1.855 -9.416 1.00 1.00 H new ATOM 0 HA LEU X 15 83.986 -1.990 -9.453 1.00 1.00 H new ATOM 0 HB2 LEU X 15 81.951 -2.395 -7.216 1.00 1.00 H new ATOM 0 HB3 LEU X 15 83.675 -2.229 -6.953 1.00 1.00 H new ATOM 0 HG LEU X 15 81.986 -0.181 -8.452 1.00 1.00 H new ATOM 0 HD11 LEU X 15 82.182 1.185 -6.377 1.00 1.00 H new ATOM 0 HD12 LEU X 15 81.318 -0.340 -6.065 1.00 1.00 H new ATOM 0 HD13 LEU X 15 83.020 -0.165 -5.576 1.00 1.00 H new ATOM 0 HD21 LEU X 15 83.955 1.295 -8.100 1.00 1.00 H new ATOM 0 HD22 LEU X 15 84.813 -0.045 -7.303 1.00 1.00 H new ATOM 0 HD23 LEU X 15 84.396 -0.157 -9.029 1.00 1.00 H new ATOM 250 N LYS X 16 82.374 -4.799 -8.813 1.00 1.00 N ATOM 251 CA LYS X 16 82.553 -6.238 -8.703 1.00 1.00 C ATOM 252 C LYS X 16 83.336 -6.784 -9.888 1.00 1.00 C ATOM 253 O LYS X 16 84.257 -7.576 -9.714 1.00 1.00 O ATOM 254 CB LYS X 16 81.191 -6.925 -8.654 1.00 1.00 C ATOM 255 CG LYS X 16 81.375 -8.428 -8.420 1.00 1.00 C ATOM 256 CD LYS X 16 80.002 -9.093 -8.367 1.00 1.00 C ATOM 257 CE LYS X 16 80.169 -10.585 -8.066 1.00 1.00 C ATOM 258 NZ LYS X 16 78.830 -11.231 -7.959 1.00 1.00 N ATOM 0 H LYS X 16 81.403 -4.486 -8.796 1.00 1.00 H new ATOM 0 HA LYS X 16 83.110 -6.439 -7.788 1.00 1.00 H new ATOM 0 HB2 LYS X 16 80.585 -6.495 -7.856 1.00 1.00 H new ATOM 0 HB3 LYS X 16 80.655 -6.756 -9.588 1.00 1.00 H new ATOM 0 HG2 LYS X 16 81.974 -8.863 -9.220 1.00 1.00 H new ATOM 0 HG3 LYS X 16 81.914 -8.601 -7.488 1.00 1.00 H new ATOM 0 HD2 LYS X 16 79.388 -8.623 -7.599 1.00 1.00 H new ATOM 0 HD3 LYS X 16 79.484 -8.958 -9.317 1.00 1.00 H new ATOM 0 HE2 LYS X 16 80.751 -11.062 -8.855 1.00 1.00 H new ATOM 0 HE3 LYS X 16 80.723 -10.718 -7.137 1.00 1.00 H new ATOM 0 HZ1 LYS X 16 78.692 -11.587 -6.991 1.00 1.00 H new ATOM 0 HZ2 LYS X 16 78.090 -10.535 -8.180 1.00 1.00 H new ATOM 0 HZ3 LYS X 16 78.772 -12.023 -8.631 1.00 1.00 H new ATOM 272 N GLN X 17 82.962 -6.374 -11.091 1.00 1.00 N ATOM 273 CA GLN X 17 83.643 -6.867 -12.282 1.00 1.00 C ATOM 274 C GLN X 17 85.122 -6.478 -12.279 1.00 1.00 C ATOM 275 O GLN X 17 86.000 -7.331 -12.442 1.00 1.00 O ATOM 276 CB GLN X 17 82.966 -6.293 -13.524 1.00 1.00 C ATOM 277 CG GLN X 17 81.539 -6.836 -13.624 1.00 1.00 C ATOM 278 CD GLN X 17 81.566 -8.331 -13.923 1.00 1.00 C ATOM 279 OE1 GLN X 17 82.398 -8.798 -14.701 1.00 1.00 O ATOM 280 NE2 GLN X 17 80.700 -9.116 -13.342 1.00 1.00 N ATOM 0 H GLN X 17 82.205 -5.714 -11.269 1.00 1.00 H new ATOM 0 HA GLN X 17 83.580 -7.955 -12.288 1.00 1.00 H new ATOM 0 HB2 GLN X 17 82.949 -5.204 -13.472 1.00 1.00 H new ATOM 0 HB3 GLN X 17 83.532 -6.561 -14.416 1.00 1.00 H new ATOM 0 HG2 GLN X 17 81.006 -6.654 -12.691 1.00 1.00 H new ATOM 0 HG3 GLN X 17 80.996 -6.310 -14.409 1.00 1.00 H new ATOM 0 HE21 GLN X 17 80.011 -8.727 -12.698 1.00 1.00 H new ATOM 0 HE22 GLN X 17 80.712 -10.118 -13.532 1.00 1.00 H new ATOM 289 N ALA X 18 85.393 -5.192 -12.097 1.00 1.00 N ATOM 290 CA ALA X 18 86.770 -4.704 -12.086 1.00 1.00 C ATOM 291 C ALA X 18 87.549 -5.276 -10.904 1.00 1.00 C ATOM 292 O ALA X 18 88.690 -5.715 -11.054 1.00 1.00 O ATOM 293 CB ALA X 18 86.772 -3.177 -12.014 1.00 1.00 C ATOM 0 H ALA X 18 84.685 -4.471 -11.956 1.00 1.00 H new ATOM 0 HA ALA X 18 87.257 -5.032 -13.005 1.00 1.00 H new ATOM 0 HB1 ALA X 18 87.800 -2.814 -12.006 1.00 1.00 H new ATOM 0 HB2 ALA X 18 86.251 -2.771 -12.881 1.00 1.00 H new ATOM 0 HB3 ALA X 18 86.267 -2.855 -11.104 1.00 1.00 H new ATOM 299 N LEU X 19 86.924 -5.271 -9.735 1.00 1.00 N ATOM 300 CA LEU X 19 87.557 -5.789 -8.530 1.00 1.00 C ATOM 301 C LEU X 19 87.850 -7.277 -8.667 1.00 1.00 C ATOM 302 O LEU X 19 88.893 -7.755 -8.223 1.00 1.00 O ATOM 303 CB LEU X 19 86.656 -5.539 -7.315 1.00 1.00 C ATOM 304 CG LEU X 19 86.622 -4.045 -6.985 1.00 1.00 C ATOM 305 CD1 LEU X 19 85.524 -3.804 -5.958 1.00 1.00 C ATOM 306 CD2 LEU X 19 87.970 -3.568 -6.418 1.00 1.00 C ATOM 0 H LEU X 19 85.979 -4.914 -9.595 1.00 1.00 H new ATOM 0 HA LEU X 19 88.503 -5.266 -8.388 1.00 1.00 H new ATOM 0 HB2 LEU X 19 85.647 -5.897 -7.521 1.00 1.00 H new ATOM 0 HB3 LEU X 19 87.025 -6.101 -6.457 1.00 1.00 H new ATOM 0 HG LEU X 19 86.426 -3.484 -7.899 1.00 1.00 H new ATOM 0 HD11 LEU X 19 85.484 -2.743 -5.710 1.00 1.00 H new ATOM 0 HD12 LEU X 19 84.565 -4.116 -6.371 1.00 1.00 H new ATOM 0 HD13 LEU X 19 85.736 -4.380 -5.057 1.00 1.00 H new ATOM 0 HD21 LEU X 19 87.914 -2.503 -6.194 1.00 1.00 H new ATOM 0 HD22 LEU X 19 88.197 -4.120 -5.506 1.00 1.00 H new ATOM 0 HD23 LEU X 19 88.756 -3.743 -7.153 1.00 1.00 H new ATOM 318 N LYS X 20 86.925 -8.009 -9.274 1.00 1.00 N ATOM 319 CA LYS X 20 87.100 -9.445 -9.445 1.00 1.00 C ATOM 320 C LYS X 20 88.374 -9.744 -10.226 1.00 1.00 C ATOM 321 O LYS X 20 89.100 -10.687 -9.908 1.00 1.00 O ATOM 322 CB LYS X 20 85.898 -10.028 -10.187 1.00 1.00 C ATOM 323 CG LYS X 20 86.022 -11.550 -10.251 1.00 1.00 C ATOM 324 CD LYS X 20 84.802 -12.126 -10.968 1.00 1.00 C ATOM 325 CE LYS X 20 84.878 -13.651 -10.951 1.00 1.00 C ATOM 326 NZ LYS X 20 86.047 -14.102 -11.758 1.00 1.00 N ATOM 0 H LYS X 20 86.054 -7.637 -9.653 1.00 1.00 H new ATOM 0 HA LYS X 20 87.179 -9.902 -8.459 1.00 1.00 H new ATOM 0 HB2 LYS X 20 84.975 -9.750 -9.679 1.00 1.00 H new ATOM 0 HB3 LYS X 20 85.845 -9.615 -11.194 1.00 1.00 H new ATOM 0 HG2 LYS X 20 86.934 -11.830 -10.778 1.00 1.00 H new ATOM 0 HG3 LYS X 20 86.096 -11.963 -9.245 1.00 1.00 H new ATOM 0 HD2 LYS X 20 83.887 -11.791 -10.479 1.00 1.00 H new ATOM 0 HD3 LYS X 20 84.766 -11.764 -11.995 1.00 1.00 H new ATOM 0 HE2 LYS X 20 84.971 -14.009 -9.926 1.00 1.00 H new ATOM 0 HE3 LYS X 20 83.959 -14.076 -11.355 1.00 1.00 H new ATOM 0 HZ1 LYS X 20 85.942 -15.111 -11.988 1.00 1.00 H new ATOM 0 HZ2 LYS X 20 86.095 -13.549 -12.638 1.00 1.00 H new ATOM 0 HZ3 LYS X 20 86.921 -13.961 -11.212 1.00 1.00 H new ATOM 340 N THR X 21 88.640 -8.942 -11.249 1.00 1.00 N ATOM 341 CA THR X 21 89.831 -9.141 -12.069 1.00 1.00 C ATOM 342 C THR X 21 91.088 -8.732 -11.308 1.00 1.00 C ATOM 343 O THR X 21 92.204 -9.028 -11.731 1.00 1.00 O ATOM 344 CB THR X 21 89.719 -8.323 -13.356 1.00 1.00 C ATOM 345 OG1 THR X 21 89.399 -6.977 -13.032 1.00 1.00 O ATOM 346 CG2 THR X 21 88.624 -8.914 -14.244 1.00 1.00 C ATOM 0 H THR X 21 88.055 -8.155 -11.530 1.00 1.00 H new ATOM 0 HA THR X 21 89.904 -10.200 -12.316 1.00 1.00 H new ATOM 0 HB THR X 21 90.669 -8.351 -13.891 1.00 1.00 H new ATOM 0 HG1 THR X 21 89.468 -6.848 -12.063 1.00 1.00 H new ATOM 0 HG21 THR X 21 88.545 -8.330 -15.161 1.00 1.00 H new ATOM 0 HG22 THR X 21 88.873 -9.946 -14.491 1.00 1.00 H new ATOM 0 HG23 THR X 21 87.672 -8.888 -13.714 1.00 1.00 H new ATOM 354 N ARG X 22 90.902 -8.044 -10.186 1.00 1.00 N ATOM 355 CA ARG X 22 92.033 -7.592 -9.379 1.00 1.00 C ATOM 356 C ARG X 22 92.398 -8.620 -8.310 1.00 1.00 C ATOM 357 O ARG X 22 93.415 -8.482 -7.631 1.00 1.00 O ATOM 358 CB ARG X 22 91.695 -6.254 -8.724 1.00 1.00 C ATOM 359 CG ARG X 22 91.575 -5.177 -9.807 1.00 1.00 C ATOM 360 CD ARG X 22 92.940 -4.548 -10.072 1.00 1.00 C ATOM 361 NE ARG X 22 92.815 -3.508 -11.086 1.00 1.00 N ATOM 362 CZ ARG X 22 92.948 -3.782 -12.379 1.00 1.00 C ATOM 363 NH1 ARG X 22 93.180 -5.007 -12.766 1.00 1.00 N ATOM 364 NH2 ARG X 22 92.845 -2.827 -13.263 1.00 1.00 N ATOM 0 H ARG X 22 89.987 -7.788 -9.816 1.00 1.00 H new ATOM 0 HA ARG X 22 92.895 -7.471 -10.036 1.00 1.00 H new ATOM 0 HB2 ARG X 22 90.760 -6.334 -8.169 1.00 1.00 H new ATOM 0 HB3 ARG X 22 92.469 -5.981 -8.007 1.00 1.00 H new ATOM 0 HG2 ARG X 22 91.183 -5.615 -10.725 1.00 1.00 H new ATOM 0 HG3 ARG X 22 90.867 -4.410 -9.492 1.00 1.00 H new ATOM 0 HD2 ARG X 22 93.341 -4.125 -9.151 1.00 1.00 H new ATOM 0 HD3 ARG X 22 93.644 -5.311 -10.405 1.00 1.00 H new ATOM 0 HE ARG X 22 92.621 -2.549 -10.796 1.00 1.00 H new ATOM 0 HH11 ARG X 22 93.259 -5.754 -12.076 1.00 1.00 H new ATOM 0 HH12 ARG X 22 93.282 -5.218 -13.759 1.00 1.00 H new ATOM 0 HH21 ARG X 22 92.662 -1.870 -12.961 1.00 1.00 H new ATOM 0 HH22 ARG X 22 92.947 -3.038 -14.256 1.00 1.00 H new ATOM 378 N GLY X 23 91.566 -9.650 -8.167 1.00 1.00 N ATOM 379 CA GLY X 23 91.820 -10.692 -7.180 1.00 1.00 C ATOM 380 C GLY X 23 90.834 -10.621 -6.026 1.00 1.00 C ATOM 381 O GLY X 23 91.114 -11.101 -4.928 1.00 1.00 O ATOM 0 H GLY X 23 90.718 -9.783 -8.718 1.00 1.00 H new ATOM 0 HA2 GLY X 23 91.753 -11.670 -7.657 1.00 1.00 H new ATOM 0 HA3 GLY X 23 92.836 -10.592 -6.798 1.00 1.00 H new ATOM 385 N VAL X 24 89.680 -10.015 -6.274 1.00 1.00 N ATOM 386 CA VAL X 24 88.669 -9.885 -5.235 1.00 1.00 C ATOM 387 C VAL X 24 87.583 -10.941 -5.397 1.00 1.00 C ATOM 388 O VAL X 24 87.015 -11.102 -6.476 1.00 1.00 O ATOM 389 CB VAL X 24 88.036 -8.500 -5.312 1.00 1.00 C ATOM 390 CG1 VAL X 24 86.860 -8.412 -4.340 1.00 1.00 C ATOM 391 CG2 VAL X 24 89.082 -7.451 -4.951 1.00 1.00 C ATOM 0 H VAL X 24 89.423 -9.610 -7.174 1.00 1.00 H new ATOM 0 HA VAL X 24 89.151 -10.025 -4.267 1.00 1.00 H new ATOM 0 HB VAL X 24 87.672 -8.322 -6.324 1.00 1.00 H new ATOM 0 HG11 VAL X 24 86.412 -7.420 -4.400 1.00 1.00 H new ATOM 0 HG12 VAL X 24 86.115 -9.163 -4.602 1.00 1.00 H new ATOM 0 HG13 VAL X 24 87.213 -8.590 -3.324 1.00 1.00 H new ATOM 0 HG21 VAL X 24 88.635 -6.458 -5.004 1.00 1.00 H new ATOM 0 HG22 VAL X 24 89.445 -7.632 -3.939 1.00 1.00 H new ATOM 0 HG23 VAL X 24 89.915 -7.512 -5.651 1.00 1.00 H new ATOM 401 N LYS X 25 87.298 -11.652 -4.308 1.00 1.00 N ATOM 402 CA LYS X 25 86.270 -12.688 -4.322 1.00 1.00 C ATOM 403 C LYS X 25 85.174 -12.365 -3.316 1.00 1.00 C ATOM 404 O LYS X 25 85.092 -12.977 -2.251 1.00 1.00 O ATOM 405 CB LYS X 25 86.883 -14.046 -3.990 1.00 1.00 C ATOM 406 CG LYS X 25 87.765 -14.500 -5.151 1.00 1.00 C ATOM 407 CD LYS X 25 88.312 -15.901 -4.857 1.00 1.00 C ATOM 408 CE LYS X 25 89.196 -16.367 -6.016 1.00 1.00 C ATOM 409 NZ LYS X 25 89.694 -17.746 -5.739 1.00 1.00 N ATOM 0 H LYS X 25 87.763 -11.530 -3.408 1.00 1.00 H new ATOM 0 HA LYS X 25 85.836 -12.724 -5.321 1.00 1.00 H new ATOM 0 HB2 LYS X 25 87.472 -13.978 -3.076 1.00 1.00 H new ATOM 0 HB3 LYS X 25 86.096 -14.778 -3.808 1.00 1.00 H new ATOM 0 HG2 LYS X 25 87.190 -14.509 -6.077 1.00 1.00 H new ATOM 0 HG3 LYS X 25 88.587 -13.799 -5.293 1.00 1.00 H new ATOM 0 HD2 LYS X 25 88.887 -15.890 -3.931 1.00 1.00 H new ATOM 0 HD3 LYS X 25 87.488 -16.600 -4.712 1.00 1.00 H new ATOM 0 HE2 LYS X 25 88.630 -16.354 -6.947 1.00 1.00 H new ATOM 0 HE3 LYS X 25 90.036 -15.684 -6.144 1.00 1.00 H new ATOM 0 HZ1 LYS X 25 90.295 -18.063 -6.527 1.00 1.00 H new ATOM 0 HZ2 LYS X 25 90.249 -17.745 -4.859 1.00 1.00 H new ATOM 0 HZ3 LYS X 25 88.886 -18.393 -5.638 1.00 1.00 H new ATOM 423 N VAL X 26 84.337 -11.398 -3.667 1.00 1.00 N ATOM 424 CA VAL X 26 83.242 -10.982 -2.796 1.00 1.00 C ATOM 425 C VAL X 26 81.926 -10.906 -3.569 1.00 1.00 C ATOM 426 O VAL X 26 81.892 -10.444 -4.711 1.00 1.00 O ATOM 427 CB VAL X 26 83.554 -9.622 -2.174 1.00 1.00 C ATOM 428 CG1 VAL X 26 82.293 -9.072 -1.513 1.00 1.00 C ATOM 429 CG2 VAL X 26 84.652 -9.782 -1.119 1.00 1.00 C ATOM 0 H VAL X 26 84.394 -10.886 -4.548 1.00 1.00 H new ATOM 0 HA VAL X 26 83.136 -11.726 -2.006 1.00 1.00 H new ATOM 0 HB VAL X 26 83.893 -8.935 -2.949 1.00 1.00 H new ATOM 0 HG11 VAL X 26 82.510 -8.101 -1.067 1.00 1.00 H new ATOM 0 HG12 VAL X 26 81.509 -8.961 -2.262 1.00 1.00 H new ATOM 0 HG13 VAL X 26 81.959 -9.761 -0.737 1.00 1.00 H new ATOM 0 HG21 VAL X 26 84.874 -8.812 -0.675 1.00 1.00 H new ATOM 0 HG22 VAL X 26 84.313 -10.467 -0.342 1.00 1.00 H new ATOM 0 HG23 VAL X 26 85.551 -10.181 -1.588 1.00 1.00 H new ATOM 439 N LYS X 27 80.845 -11.368 -2.945 1.00 1.00 N ATOM 440 CA LYS X 27 79.535 -11.352 -3.589 1.00 1.00 C ATOM 441 C LYS X 27 79.073 -9.915 -3.826 1.00 1.00 C ATOM 442 O LYS X 27 79.464 -9.001 -3.101 1.00 1.00 O ATOM 443 CB LYS X 27 78.525 -12.056 -2.687 1.00 1.00 C ATOM 444 CG LYS X 27 79.006 -13.479 -2.405 1.00 1.00 C ATOM 445 CD LYS X 27 78.064 -14.143 -1.405 1.00 1.00 C ATOM 446 CE LYS X 27 78.564 -15.554 -1.098 1.00 1.00 C ATOM 447 NZ LYS X 27 77.631 -16.219 -0.143 1.00 1.00 N ATOM 0 H LYS X 27 80.850 -11.755 -2.001 1.00 1.00 H new ATOM 0 HA LYS X 27 79.608 -11.864 -4.548 1.00 1.00 H new ATOM 0 HB2 LYS X 27 78.410 -11.507 -1.753 1.00 1.00 H new ATOM 0 HB3 LYS X 27 77.546 -12.079 -3.166 1.00 1.00 H new ATOM 0 HG2 LYS X 27 79.037 -14.055 -3.330 1.00 1.00 H new ATOM 0 HG3 LYS X 27 80.021 -13.460 -2.008 1.00 1.00 H new ATOM 0 HD2 LYS X 27 78.015 -13.555 -0.489 1.00 1.00 H new ATOM 0 HD3 LYS X 27 77.054 -14.184 -1.812 1.00 1.00 H new ATOM 0 HE2 LYS X 27 78.633 -16.134 -2.018 1.00 1.00 H new ATOM 0 HE3 LYS X 27 79.566 -15.511 -0.672 1.00 1.00 H new ATOM 0 HZ1 LYS X 27 77.973 -17.179 0.065 1.00 1.00 H new ATOM 0 HZ2 LYS X 27 77.586 -15.669 0.739 1.00 1.00 H new ATOM 0 HZ3 LYS X 27 76.682 -16.273 -0.566 1.00 1.00 H new ATOM 461 N TYR X 28 78.237 -9.727 -4.840 1.00 1.00 N ATOM 462 CA TYR X 28 77.715 -8.401 -5.163 1.00 1.00 C ATOM 463 C TYR X 28 76.897 -7.835 -4.010 1.00 1.00 C ATOM 464 O TYR X 28 77.061 -6.678 -3.624 1.00 1.00 O ATOM 465 CB TYR X 28 76.843 -8.485 -6.414 1.00 1.00 C ATOM 466 CG TYR X 28 75.446 -8.018 -6.090 1.00 1.00 C ATOM 467 CD1 TYR X 28 75.160 -6.650 -6.009 1.00 1.00 C ATOM 468 CD2 TYR X 28 74.434 -8.959 -5.870 1.00 1.00 C ATOM 469 CE1 TYR X 28 73.861 -6.222 -5.707 1.00 1.00 C ATOM 470 CE2 TYR X 28 73.135 -8.531 -5.569 1.00 1.00 C ATOM 471 CZ TYR X 28 72.849 -7.163 -5.487 1.00 1.00 C ATOM 472 OH TYR X 28 71.570 -6.740 -5.191 1.00 1.00 O ATOM 0 H TYR X 28 77.906 -10.472 -5.452 1.00 1.00 H new ATOM 0 HA TYR X 28 78.560 -7.736 -5.342 1.00 1.00 H new ATOM 0 HB2 TYR X 28 77.268 -7.870 -7.207 1.00 1.00 H new ATOM 0 HB3 TYR X 28 76.818 -9.510 -6.784 1.00 1.00 H new ATOM 0 HD1 TYR X 28 75.941 -5.924 -6.179 1.00 1.00 H new ATOM 0 HD2 TYR X 28 74.655 -10.014 -5.932 1.00 1.00 H new ATOM 0 HE1 TYR X 28 73.641 -5.167 -5.644 1.00 1.00 H new ATOM 0 HE2 TYR X 28 72.353 -9.257 -5.400 1.00 1.00 H new ATOM 0 HH TYR X 28 70.988 -7.519 -5.068 1.00 1.00 H new ATOM 482 N ALA X 29 76.013 -8.659 -3.472 1.00 1.00 N ATOM 483 CA ALA X 29 75.161 -8.235 -2.368 1.00 1.00 C ATOM 484 C ALA X 29 76.000 -7.705 -1.211 1.00 1.00 C ATOM 485 O ALA X 29 75.607 -6.762 -0.533 1.00 1.00 O ATOM 486 CB ALA X 29 74.310 -9.408 -1.877 1.00 1.00 C ATOM 0 H ALA X 29 75.865 -9.621 -3.778 1.00 1.00 H new ATOM 0 HA ALA X 29 74.511 -7.438 -2.730 1.00 1.00 H new ATOM 0 HB1 ALA X 29 73.678 -9.079 -1.052 1.00 1.00 H new ATOM 0 HB2 ALA X 29 73.684 -9.769 -2.692 1.00 1.00 H new ATOM 0 HB3 ALA X 29 74.962 -10.213 -1.536 1.00 1.00 H new ATOM 492 N ASP X 30 77.156 -8.318 -0.982 1.00 1.00 N ATOM 493 CA ASP X 30 78.026 -7.890 0.111 1.00 1.00 C ATOM 494 C ASP X 30 78.413 -6.422 -0.043 1.00 1.00 C ATOM 495 O ASP X 30 78.247 -5.625 0.879 1.00 1.00 O ATOM 496 CB ASP X 30 79.290 -8.747 0.119 1.00 1.00 C ATOM 497 CG ASP X 30 80.196 -8.333 1.271 1.00 1.00 C ATOM 498 OD1 ASP X 30 79.879 -7.354 1.926 1.00 1.00 O ATOM 499 OD2 ASP X 30 81.192 -9.005 1.486 1.00 1.00 O ATOM 0 H ASP X 30 77.510 -9.102 -1.529 1.00 1.00 H new ATOM 0 HA ASP X 30 77.485 -8.010 1.050 1.00 1.00 H new ATOM 0 HB2 ASP X 30 79.024 -9.800 0.215 1.00 1.00 H new ATOM 0 HB3 ASP X 30 79.819 -8.637 -0.828 1.00 1.00 H new ATOM 504 N LEU X 31 78.921 -6.070 -1.218 1.00 1.00 N ATOM 505 CA LEU X 31 79.322 -4.694 -1.490 1.00 1.00 C ATOM 506 C LEU X 31 78.111 -3.775 -1.453 1.00 1.00 C ATOM 507 O LEU X 31 78.188 -2.658 -0.949 1.00 1.00 O ATOM 508 CB LEU X 31 80.001 -4.591 -2.861 1.00 1.00 C ATOM 509 CG LEU X 31 81.363 -5.292 -2.823 1.00 1.00 C ATOM 510 CD1 LEU X 31 81.957 -5.349 -4.233 1.00 1.00 C ATOM 511 CD2 LEU X 31 82.325 -4.538 -1.894 1.00 1.00 C ATOM 0 H LEU X 31 79.065 -6.715 -1.995 1.00 1.00 H new ATOM 0 HA LEU X 31 80.030 -4.388 -0.720 1.00 1.00 H new ATOM 0 HB2 LEU X 31 79.369 -5.046 -3.624 1.00 1.00 H new ATOM 0 HB3 LEU X 31 80.129 -3.544 -3.135 1.00 1.00 H new ATOM 0 HG LEU X 31 81.223 -6.305 -2.445 1.00 1.00 H new ATOM 0 HD11 LEU X 31 82.925 -5.848 -4.200 1.00 1.00 H new ATOM 0 HD12 LEU X 31 81.285 -5.903 -4.889 1.00 1.00 H new ATOM 0 HD13 LEU X 31 82.084 -4.336 -4.616 1.00 1.00 H new ATOM 0 HD21 LEU X 31 83.288 -5.047 -1.877 1.00 1.00 H new ATOM 0 HD22 LEU X 31 82.459 -3.520 -2.259 1.00 1.00 H new ATOM 0 HD23 LEU X 31 81.911 -4.511 -0.886 1.00 1.00 H new ATOM 523 N LEU X 32 76.996 -4.246 -1.994 1.00 1.00 N ATOM 524 CA LEU X 32 75.785 -3.437 -2.011 1.00 1.00 C ATOM 525 C LEU X 32 75.339 -3.133 -0.586 1.00 1.00 C ATOM 526 O LEU X 32 75.013 -1.992 -0.258 1.00 1.00 O ATOM 527 CB LEU X 32 74.677 -4.185 -2.760 1.00 1.00 C ATOM 528 CG LEU X 32 73.370 -3.383 -2.719 1.00 1.00 C ATOM 529 CD1 LEU X 32 73.588 -2.010 -3.355 1.00 1.00 C ATOM 530 CD2 LEU X 32 72.283 -4.136 -3.494 1.00 1.00 C ATOM 0 H LEU X 32 76.904 -5.168 -2.420 1.00 1.00 H new ATOM 0 HA LEU X 32 75.990 -2.496 -2.522 1.00 1.00 H new ATOM 0 HB2 LEU X 32 74.977 -4.352 -3.795 1.00 1.00 H new ATOM 0 HB3 LEU X 32 74.524 -5.166 -2.311 1.00 1.00 H new ATOM 0 HG LEU X 32 73.058 -3.256 -1.682 1.00 1.00 H new ATOM 0 HD11 LEU X 32 72.658 -1.443 -3.324 1.00 1.00 H new ATOM 0 HD12 LEU X 32 74.359 -1.472 -2.804 1.00 1.00 H new ATOM 0 HD13 LEU X 32 73.903 -2.135 -4.391 1.00 1.00 H new ATOM 0 HD21 LEU X 32 71.354 -3.566 -3.465 1.00 1.00 H new ATOM 0 HD22 LEU X 32 72.597 -4.265 -4.530 1.00 1.00 H new ATOM 0 HD23 LEU X 32 72.123 -5.114 -3.039 1.00 1.00 H new ATOM 542 N LYS X 33 75.330 -4.156 0.259 1.00 1.00 N ATOM 543 CA LYS X 33 74.931 -3.980 1.644 1.00 1.00 C ATOM 544 C LYS X 33 75.945 -3.117 2.376 1.00 1.00 C ATOM 545 O LYS X 33 75.581 -2.227 3.142 1.00 1.00 O ATOM 546 CB LYS X 33 74.815 -5.340 2.332 1.00 1.00 C ATOM 547 CG LYS X 33 73.624 -6.106 1.752 1.00 1.00 C ATOM 548 CD LYS X 33 73.577 -7.510 2.355 1.00 1.00 C ATOM 549 CE LYS X 33 72.552 -8.357 1.595 1.00 1.00 C ATOM 550 NZ LYS X 33 71.199 -7.748 1.721 1.00 1.00 N ATOM 0 H LYS X 33 75.593 -5.109 0.009 1.00 1.00 H new ATOM 0 HA LYS X 33 73.961 -3.484 1.669 1.00 1.00 H new ATOM 0 HB2 LYS X 33 75.732 -5.911 2.189 1.00 1.00 H new ATOM 0 HB3 LYS X 33 74.687 -5.206 3.406 1.00 1.00 H new ATOM 0 HG2 LYS X 33 72.697 -5.575 1.968 1.00 1.00 H new ATOM 0 HG3 LYS X 33 73.711 -6.167 0.667 1.00 1.00 H new ATOM 0 HD2 LYS X 33 74.562 -7.975 2.300 1.00 1.00 H new ATOM 0 HD3 LYS X 33 73.309 -7.456 3.410 1.00 1.00 H new ATOM 0 HE2 LYS X 33 72.833 -8.427 0.544 1.00 1.00 H new ATOM 0 HE3 LYS X 33 72.542 -9.373 1.990 1.00 1.00 H new ATOM 0 HZ1 LYS X 33 70.481 -8.428 1.399 1.00 1.00 H new ATOM 0 HZ2 LYS X 33 71.021 -7.501 2.715 1.00 1.00 H new ATOM 0 HZ3 LYS X 33 71.149 -6.889 1.136 1.00 1.00 H new ATOM 564 N PHE X 34 77.223 -3.392 2.138 1.00 1.00 N ATOM 565 CA PHE X 34 78.276 -2.637 2.787 1.00 1.00 C ATOM 566 C PHE X 34 78.208 -1.160 2.394 1.00 1.00 C ATOM 567 O PHE X 34 78.379 -0.273 3.232 1.00 1.00 O ATOM 568 CB PHE X 34 79.659 -3.196 2.421 1.00 1.00 C ATOM 569 CG PHE X 34 80.761 -2.283 2.964 1.00 1.00 C ATOM 570 CD1 PHE X 34 80.569 -1.549 4.140 1.00 1.00 C ATOM 571 CD2 PHE X 34 81.967 -2.175 2.262 1.00 1.00 C ATOM 572 CE1 PHE X 34 81.582 -0.707 4.613 1.00 1.00 C ATOM 573 CE2 PHE X 34 82.981 -1.333 2.734 1.00 1.00 C ATOM 574 CZ PHE X 34 82.788 -0.599 3.912 1.00 1.00 C ATOM 0 H PHE X 34 77.547 -4.125 1.507 1.00 1.00 H new ATOM 0 HA PHE X 34 78.128 -2.729 3.863 1.00 1.00 H new ATOM 0 HB2 PHE X 34 79.774 -4.199 2.831 1.00 1.00 H new ATOM 0 HB3 PHE X 34 79.749 -3.282 1.338 1.00 1.00 H new ATOM 0 HD1 PHE X 34 79.639 -1.632 4.683 1.00 1.00 H new ATOM 0 HD2 PHE X 34 82.116 -2.742 1.355 1.00 1.00 H new ATOM 0 HE1 PHE X 34 81.433 -0.140 5.520 1.00 1.00 H new ATOM 0 HE2 PHE X 34 83.911 -1.249 2.191 1.00 1.00 H new ATOM 0 HZ PHE X 34 83.570 0.050 4.279 1.00 1.00 H new ATOM 584 N PHE X 35 77.968 -0.915 1.107 1.00 1.00 N ATOM 585 CA PHE X 35 77.890 0.441 0.580 1.00 1.00 C ATOM 586 C PHE X 35 76.793 1.210 1.297 1.00 1.00 C ATOM 587 O PHE X 35 76.951 2.385 1.624 1.00 1.00 O ATOM 588 CB PHE X 35 77.606 0.409 -0.929 1.00 1.00 C ATOM 589 CG PHE X 35 77.748 1.800 -1.506 1.00 1.00 C ATOM 590 CD1 PHE X 35 76.738 2.747 -1.303 1.00 1.00 C ATOM 591 CD2 PHE X 35 78.893 2.143 -2.235 1.00 1.00 C ATOM 592 CE1 PHE X 35 76.874 4.038 -1.828 1.00 1.00 C ATOM 593 CE2 PHE X 35 79.029 3.433 -2.759 1.00 1.00 C ATOM 594 CZ PHE X 35 78.019 4.381 -2.557 1.00 1.00 C ATOM 0 H PHE X 35 77.824 -1.644 0.409 1.00 1.00 H new ATOM 0 HA PHE X 35 78.845 0.940 0.747 1.00 1.00 H new ATOM 0 HB2 PHE X 35 78.298 -0.273 -1.424 1.00 1.00 H new ATOM 0 HB3 PHE X 35 76.600 0.031 -1.111 1.00 1.00 H new ATOM 0 HD1 PHE X 35 75.854 2.482 -0.742 1.00 1.00 H new ATOM 0 HD2 PHE X 35 79.672 1.411 -2.393 1.00 1.00 H new ATOM 0 HE1 PHE X 35 76.095 4.770 -1.670 1.00 1.00 H new ATOM 0 HE2 PHE X 35 79.913 3.698 -3.320 1.00 1.00 H new ATOM 0 HZ PHE X 35 78.123 5.376 -2.963 1.00 1.00 H new ATOM 604 N ASP X 36 75.676 0.544 1.524 1.00 1.00 N ATOM 605 CA ASP X 36 74.560 1.180 2.199 1.00 1.00 C ATOM 606 C ASP X 36 74.897 1.427 3.668 1.00 1.00 C ATOM 607 O ASP X 36 74.324 2.314 4.300 1.00 1.00 O ATOM 608 CB ASP X 36 73.323 0.292 2.104 1.00 1.00 C ATOM 609 CG ASP X 36 72.854 0.202 0.658 1.00 1.00 C ATOM 610 OD1 ASP X 36 73.387 0.930 -0.163 1.00 1.00 O ATOM 611 OD2 ASP X 36 71.984 -0.609 0.387 1.00 1.00 O ATOM 0 H ASP X 36 75.518 -0.427 1.254 1.00 1.00 H new ATOM 0 HA ASP X 36 74.361 2.136 1.715 1.00 1.00 H new ATOM 0 HB2 ASP X 36 73.551 -0.704 2.483 1.00 1.00 H new ATOM 0 HB3 ASP X 36 72.526 0.696 2.728 1.00 1.00 H new ATOM 616 N PHE X 37 75.818 0.630 4.211 1.00 1.00 N ATOM 617 CA PHE X 37 76.203 0.775 5.612 1.00 1.00 C ATOM 618 C PHE X 37 76.864 2.123 5.860 1.00 1.00 C ATOM 619 O PHE X 37 76.442 2.884 6.732 1.00 1.00 O ATOM 620 CB PHE X 37 77.188 -0.334 5.982 1.00 1.00 C ATOM 621 CG PHE X 37 77.250 -0.479 7.482 1.00 1.00 C ATOM 622 CD1 PHE X 37 77.913 0.483 8.254 1.00 1.00 C ATOM 623 CD2 PHE X 37 76.640 -1.574 8.103 1.00 1.00 C ATOM 624 CE1 PHE X 37 77.965 0.349 9.646 1.00 1.00 C ATOM 625 CE2 PHE X 37 76.692 -1.708 9.495 1.00 1.00 C ATOM 626 CZ PHE X 37 77.354 -0.747 10.267 1.00 1.00 C ATOM 0 H PHE X 37 76.305 -0.113 3.709 1.00 1.00 H new ATOM 0 HA PHE X 37 75.304 0.708 6.224 1.00 1.00 H new ATOM 0 HB2 PHE X 37 76.878 -1.275 5.528 1.00 1.00 H new ATOM 0 HB3 PHE X 37 78.177 -0.101 5.588 1.00 1.00 H new ATOM 0 HD1 PHE X 37 78.384 1.328 7.775 1.00 1.00 H new ATOM 0 HD2 PHE X 37 76.129 -2.316 7.508 1.00 1.00 H new ATOM 0 HE1 PHE X 37 78.476 1.091 10.241 1.00 1.00 H new ATOM 0 HE2 PHE X 37 76.221 -2.554 9.974 1.00 1.00 H new ATOM 0 HZ PHE X 37 77.394 -0.851 11.341 1.00 1.00 H new ATOM 636 N VAL X 38 77.899 2.420 5.080 1.00 1.00 N ATOM 637 CA VAL X 38 78.600 3.695 5.227 1.00 1.00 C ATOM 638 C VAL X 38 77.687 4.839 4.823 1.00 1.00 C ATOM 639 O VAL X 38 77.765 5.925 5.376 1.00 1.00 O ATOM 640 CB VAL X 38 79.870 3.728 4.364 1.00 1.00 C ATOM 641 CG1 VAL X 38 79.490 3.573 2.898 1.00 1.00 C ATOM 642 CG2 VAL X 38 80.603 5.068 4.544 1.00 1.00 C ATOM 0 H VAL X 38 78.267 1.809 4.351 1.00 1.00 H new ATOM 0 HA VAL X 38 78.886 3.804 6.273 1.00 1.00 H new ATOM 0 HB VAL X 38 80.524 2.913 4.674 1.00 1.00 H new ATOM 0 HG11 VAL X 38 80.391 3.596 2.284 1.00 1.00 H new ATOM 0 HG12 VAL X 38 78.977 2.622 2.754 1.00 1.00 H new ATOM 0 HG13 VAL X 38 78.830 4.389 2.605 1.00 1.00 H new ATOM 0 HG21 VAL X 38 81.501 5.077 3.926 1.00 1.00 H new ATOM 0 HG22 VAL X 38 79.947 5.885 4.243 1.00 1.00 H new ATOM 0 HG23 VAL X 38 80.881 5.193 5.591 1.00 1.00 H new ATOM 652 N LYS X 39 76.841 4.596 3.837 1.00 1.00 N ATOM 653 CA LYS X 39 75.941 5.637 3.358 1.00 1.00 C ATOM 654 C LYS X 39 74.970 6.070 4.456 1.00 1.00 C ATOM 655 O LYS X 39 74.727 7.261 4.646 1.00 1.00 O ATOM 656 CB LYS X 39 75.150 5.133 2.151 1.00 1.00 C ATOM 657 CG LYS X 39 74.296 6.269 1.576 1.00 1.00 C ATOM 658 CD LYS X 39 73.514 5.751 0.367 1.00 1.00 C ATOM 659 CE LYS X 39 72.666 6.884 -0.215 1.00 1.00 C ATOM 660 NZ LYS X 39 71.894 6.376 -1.384 1.00 1.00 N ATOM 0 H LYS X 39 76.756 3.700 3.356 1.00 1.00 H new ATOM 0 HA LYS X 39 76.545 6.496 3.067 1.00 1.00 H new ATOM 0 HB2 LYS X 39 75.833 4.758 1.389 1.00 1.00 H new ATOM 0 HB3 LYS X 39 74.512 4.300 2.445 1.00 1.00 H new ATOM 0 HG2 LYS X 39 73.609 6.643 2.335 1.00 1.00 H new ATOM 0 HG3 LYS X 39 74.932 7.104 1.282 1.00 1.00 H new ATOM 0 HD2 LYS X 39 74.202 5.372 -0.389 1.00 1.00 H new ATOM 0 HD3 LYS X 39 72.875 4.919 0.663 1.00 1.00 H new ATOM 0 HE2 LYS X 39 71.985 7.270 0.544 1.00 1.00 H new ATOM 0 HE3 LYS X 39 73.306 7.712 -0.520 1.00 1.00 H new ATOM 0 HZ1 LYS X 39 71.317 7.146 -1.780 1.00 1.00 H new ATOM 0 HZ2 LYS X 39 72.552 6.028 -2.110 1.00 1.00 H new ATOM 0 HZ3 LYS X 39 71.273 5.600 -1.079 1.00 1.00 H new ATOM 674 N ASP X 40 74.409 5.094 5.161 1.00 1.00 N ATOM 675 CA ASP X 40 73.449 5.386 6.222 1.00 1.00 C ATOM 676 C ASP X 40 74.089 6.187 7.350 1.00 1.00 C ATOM 677 O ASP X 40 73.510 7.156 7.842 1.00 1.00 O ATOM 678 CB ASP X 40 72.898 4.074 6.784 1.00 1.00 C ATOM 679 CG ASP X 40 71.954 3.422 5.778 1.00 1.00 C ATOM 680 OD1 ASP X 40 71.529 4.109 4.861 1.00 1.00 O ATOM 681 OD2 ASP X 40 71.671 2.246 5.935 1.00 1.00 O ATOM 0 H ASP X 40 74.599 4.102 5.020 1.00 1.00 H new ATOM 0 HA ASP X 40 72.644 5.983 5.794 1.00 1.00 H new ATOM 0 HB2 ASP X 40 73.720 3.396 7.015 1.00 1.00 H new ATOM 0 HB3 ASP X 40 72.370 4.264 7.718 1.00 1.00 H new ATOM 686 N THR X 41 75.281 5.771 7.766 1.00 1.00 N ATOM 687 CA THR X 41 75.982 6.451 8.854 1.00 1.00 C ATOM 688 C THR X 41 77.016 7.439 8.322 1.00 1.00 C ATOM 689 O THR X 41 77.655 8.157 9.090 1.00 1.00 O ATOM 690 CB THR X 41 76.674 5.415 9.745 1.00 1.00 C ATOM 691 OG1 THR X 41 77.659 4.728 8.988 1.00 1.00 O ATOM 692 CG2 THR X 41 75.643 4.416 10.277 1.00 1.00 C ATOM 0 H THR X 41 75.780 4.974 7.371 1.00 1.00 H new ATOM 0 HA THR X 41 75.246 7.010 9.432 1.00 1.00 H new ATOM 0 HB THR X 41 77.147 5.920 10.587 1.00 1.00 H new ATOM 0 HG1 THR X 41 77.223 4.080 8.396 1.00 1.00 H new ATOM 0 HG21 THR X 41 76.141 3.682 10.910 1.00 1.00 H new ATOM 0 HG22 THR X 41 74.890 4.946 10.860 1.00 1.00 H new ATOM 0 HG23 THR X 41 75.163 3.908 9.440 1.00 1.00 H new ATOM 700 N CYS X 42 77.185 7.457 7.007 1.00 1.00 N ATOM 701 CA CYS X 42 78.152 8.343 6.378 1.00 1.00 C ATOM 702 C CYS X 42 77.848 8.494 4.880 1.00 1.00 C ATOM 703 O CYS X 42 78.399 7.780 4.041 1.00 1.00 O ATOM 704 CB CYS X 42 79.571 7.786 6.599 1.00 1.00 C ATOM 705 SG CYS X 42 80.663 8.227 5.226 1.00 1.00 S ATOM 0 H CYS X 42 76.665 6.868 6.356 1.00 1.00 H new ATOM 0 HA CYS X 42 78.086 9.332 6.831 1.00 1.00 H new ATOM 0 HB2 CYS X 42 79.978 8.177 7.532 1.00 1.00 H new ATOM 0 HB3 CYS X 42 79.528 6.702 6.700 1.00 1.00 H new ATOM 0 HG CYS X 42 81.019 9.472 5.338 1.00 1.00 H new ATOM 711 N PRO X 43 76.967 9.394 4.528 1.00 1.00 N ATOM 712 CA PRO X 43 76.594 9.637 3.101 1.00 1.00 C ATOM 713 C PRO X 43 77.793 10.099 2.275 1.00 1.00 C ATOM 714 O PRO X 43 77.884 9.818 1.081 1.00 1.00 O ATOM 715 CB PRO X 43 75.532 10.742 3.174 1.00 1.00 C ATOM 716 CG PRO X 43 75.033 10.720 4.579 1.00 1.00 C ATOM 717 CD PRO X 43 76.213 10.271 5.435 1.00 1.00 C ATOM 0 HA PRO X 43 76.233 8.731 2.615 1.00 1.00 H new ATOM 0 HB2 PRO X 43 75.958 11.714 2.924 1.00 1.00 H new ATOM 0 HB3 PRO X 43 74.723 10.557 2.467 1.00 1.00 H new ATOM 0 HG2 PRO X 43 74.682 11.706 4.884 1.00 1.00 H new ATOM 0 HG3 PRO X 43 74.191 10.035 4.684 1.00 1.00 H new ATOM 0 HD2 PRO X 43 76.813 11.117 5.770 1.00 1.00 H new ATOM 0 HD3 PRO X 43 75.884 9.740 6.328 1.00 1.00 H new ATOM 725 N TRP X 44 78.708 10.814 2.926 1.00 1.00 N ATOM 726 CA TRP X 44 79.894 11.320 2.261 1.00 1.00 C ATOM 727 C TRP X 44 80.887 10.198 2.002 1.00 1.00 C ATOM 728 O TRP X 44 80.949 9.216 2.739 1.00 1.00 O ATOM 729 CB TRP X 44 80.555 12.401 3.125 1.00 1.00 C ATOM 730 CG TRP X 44 80.682 11.913 4.529 1.00 1.00 C ATOM 731 CD1 TRP X 44 81.538 10.947 4.932 1.00 1.00 C ATOM 732 CD2 TRP X 44 79.953 12.335 5.719 1.00 1.00 C ATOM 733 NE1 TRP X 44 81.381 10.748 6.293 1.00 1.00 N ATOM 734 CE2 TRP X 44 80.417 11.581 6.823 1.00 1.00 C ATOM 735 CE3 TRP X 44 78.945 13.290 5.944 1.00 1.00 C ATOM 736 CZ2 TRP X 44 79.898 11.767 8.105 1.00 1.00 C ATOM 737 CZ3 TRP X 44 78.422 13.481 7.234 1.00 1.00 C ATOM 738 CH2 TRP X 44 78.896 12.720 8.312 1.00 1.00 C ATOM 0 H TRP X 44 78.645 11.053 3.916 1.00 1.00 H new ATOM 0 HA TRP X 44 79.595 11.749 1.305 1.00 1.00 H new ATOM 0 HB2 TRP X 44 81.538 12.649 2.725 1.00 1.00 H new ATOM 0 HB3 TRP X 44 79.961 13.315 3.099 1.00 1.00 H new ATOM 0 HD1 TRP X 44 82.231 10.417 4.296 1.00 1.00 H new ATOM 0 HE1 TRP X 44 81.913 10.069 6.837 1.00 1.00 H new ATOM 0 HE3 TRP X 44 78.571 13.880 5.120 1.00 1.00 H new ATOM 0 HZ2 TRP X 44 80.268 11.179 8.932 1.00 1.00 H new ATOM 0 HZ3 TRP X 44 77.650 14.219 7.396 1.00 1.00 H new ATOM 0 HH2 TRP X 44 78.488 12.870 9.301 1.00 1.00 H new ATOM 749 N PHE X 45 81.662 10.364 0.947 1.00 1.00 N ATOM 750 CA PHE X 45 82.672 9.380 0.572 1.00 1.00 C ATOM 751 C PHE X 45 83.681 9.983 -0.409 1.00 1.00 C ATOM 752 O PHE X 45 84.067 9.349 -1.391 1.00 1.00 O ATOM 753 CB PHE X 45 81.994 8.157 -0.053 1.00 1.00 C ATOM 754 CG PHE X 45 80.799 8.602 -0.864 1.00 1.00 C ATOM 755 CD1 PHE X 45 80.979 9.368 -2.022 1.00 1.00 C ATOM 756 CD2 PHE X 45 79.507 8.246 -0.455 1.00 1.00 C ATOM 757 CE1 PHE X 45 79.869 9.777 -2.772 1.00 1.00 C ATOM 758 CE2 PHE X 45 78.398 8.655 -1.205 1.00 1.00 C ATOM 759 CZ PHE X 45 78.579 9.421 -2.362 1.00 1.00 C ATOM 0 H PHE X 45 81.614 11.174 0.329 1.00 1.00 H new ATOM 0 HA PHE X 45 83.211 9.074 1.469 1.00 1.00 H new ATOM 0 HB2 PHE X 45 82.700 7.622 -0.689 1.00 1.00 H new ATOM 0 HB3 PHE X 45 81.680 7.464 0.727 1.00 1.00 H new ATOM 0 HD1 PHE X 45 81.974 9.644 -2.337 1.00 1.00 H new ATOM 0 HD2 PHE X 45 79.367 7.656 0.439 1.00 1.00 H new ATOM 0 HE1 PHE X 45 80.008 10.367 -3.666 1.00 1.00 H new ATOM 0 HE2 PHE X 45 77.402 8.379 -0.891 1.00 1.00 H new ATOM 0 HZ PHE X 45 77.723 9.738 -2.939 1.00 1.00 H new ATOM 769 N PRO X 46 84.124 11.186 -0.155 1.00 1.00 N ATOM 770 CA PRO X 46 85.107 11.885 -1.021 1.00 1.00 C ATOM 771 C PRO X 46 86.145 10.934 -1.610 1.00 1.00 C ATOM 772 O PRO X 46 86.500 9.927 -0.994 1.00 1.00 O ATOM 773 CB PRO X 46 85.768 12.889 -0.073 1.00 1.00 C ATOM 774 CG PRO X 46 84.797 13.117 1.045 1.00 1.00 C ATOM 775 CD PRO X 46 83.729 12.020 0.982 1.00 1.00 C ATOM 0 HA PRO X 46 84.631 12.349 -1.885 1.00 1.00 H new ATOM 0 HB2 PRO X 46 86.713 12.501 0.307 1.00 1.00 H new ATOM 0 HB3 PRO X 46 85.991 13.822 -0.590 1.00 1.00 H new ATOM 0 HG2 PRO X 46 85.311 13.093 2.006 1.00 1.00 H new ATOM 0 HG3 PRO X 46 84.337 14.101 0.954 1.00 1.00 H new ATOM 0 HD2 PRO X 46 83.699 11.442 1.906 1.00 1.00 H new ATOM 0 HD3 PRO X 46 82.735 12.442 0.837 1.00 1.00 H new ATOM 783 N GLN X 47 86.619 11.257 -2.809 1.00 1.00 N ATOM 784 CA GLN X 47 87.610 10.428 -3.482 1.00 1.00 C ATOM 785 C GLN X 47 88.728 11.291 -4.059 1.00 1.00 C ATOM 786 O GLN X 47 88.470 12.330 -4.669 1.00 1.00 O ATOM 787 CB GLN X 47 86.946 9.633 -4.609 1.00 1.00 C ATOM 788 CG GLN X 47 85.865 8.719 -4.027 1.00 1.00 C ATOM 789 CD GLN X 47 86.498 7.678 -3.109 1.00 1.00 C ATOM 790 OE1 GLN X 47 87.408 6.960 -3.525 1.00 1.00 O ATOM 791 NE2 GLN X 47 86.071 7.552 -1.883 1.00 1.00 N ATOM 0 H GLN X 47 86.333 12.085 -3.332 1.00 1.00 H new ATOM 0 HA GLN X 47 88.036 9.740 -2.752 1.00 1.00 H new ATOM 0 HB2 GLN X 47 86.506 10.314 -5.338 1.00 1.00 H new ATOM 0 HB3 GLN X 47 87.692 9.039 -5.137 1.00 1.00 H new ATOM 0 HG2 GLN X 47 85.138 9.311 -3.472 1.00 1.00 H new ATOM 0 HG3 GLN X 47 85.324 8.224 -4.833 1.00 1.00 H new ATOM 0 HE21 GLN X 47 85.317 8.148 -1.542 1.00 1.00 H new ATOM 0 HE22 GLN X 47 86.491 6.857 -1.266 1.00 1.00 H new ATOM 800 N GLU X 48 89.967 10.855 -3.859 1.00 1.00 N ATOM 801 CA GLU X 48 91.122 11.594 -4.360 1.00 1.00 C ATOM 802 C GLU X 48 92.070 10.660 -5.104 1.00 1.00 C ATOM 803 O GLU X 48 91.859 9.448 -5.144 1.00 1.00 O ATOM 804 CB GLU X 48 91.863 12.253 -3.196 1.00 1.00 C ATOM 805 CG GLU X 48 90.980 13.339 -2.580 1.00 1.00 C ATOM 806 CD GLU X 48 91.670 13.943 -1.361 1.00 1.00 C ATOM 807 OE1 GLU X 48 92.797 13.562 -1.095 1.00 1.00 O ATOM 808 OE2 GLU X 48 91.058 14.773 -0.709 1.00 1.00 O ATOM 0 H GLU X 48 90.198 9.998 -3.356 1.00 1.00 H new ATOM 0 HA GLU X 48 90.770 12.362 -5.048 1.00 1.00 H new ATOM 0 HB2 GLU X 48 92.118 11.506 -2.444 1.00 1.00 H new ATOM 0 HB3 GLU X 48 92.800 12.686 -3.546 1.00 1.00 H new ATOM 0 HG2 GLU X 48 90.779 14.117 -3.317 1.00 1.00 H new ATOM 0 HG3 GLU X 48 90.018 12.916 -2.291 1.00 1.00 H new ATOM 815 N GLY X 49 93.112 11.233 -5.696 1.00 1.00 N ATOM 816 CA GLY X 49 94.083 10.438 -6.440 1.00 1.00 C ATOM 817 C GLY X 49 94.756 9.409 -5.537 1.00 1.00 C ATOM 818 O GLY X 49 94.902 8.246 -5.911 1.00 1.00 O ATOM 0 H GLY X 49 93.305 12.234 -5.676 1.00 1.00 H new ATOM 0 HA2 GLY X 49 93.586 9.931 -7.267 1.00 1.00 H new ATOM 0 HA3 GLY X 49 94.837 11.093 -6.875 1.00 1.00 H new ATOM 822 N THR X 50 95.159 9.843 -4.347 1.00 1.00 N ATOM 823 CA THR X 50 95.809 8.950 -3.399 1.00 1.00 C ATOM 824 C THR X 50 94.765 8.204 -2.581 1.00 1.00 C ATOM 825 O THR X 50 93.593 8.584 -2.557 1.00 1.00 O ATOM 826 CB THR X 50 96.722 9.748 -2.466 1.00 1.00 C ATOM 827 OG1 THR X 50 95.931 10.563 -1.615 1.00 1.00 O ATOM 828 CG2 THR X 50 97.653 10.634 -3.297 1.00 1.00 C ATOM 0 H THR X 50 95.047 10.802 -4.019 1.00 1.00 H new ATOM 0 HA THR X 50 96.409 8.229 -3.954 1.00 1.00 H new ATOM 0 HB THR X 50 97.316 9.061 -1.864 1.00 1.00 H new ATOM 0 HG1 THR X 50 96.515 11.073 -1.016 1.00 1.00 H new ATOM 0 HG21 THR X 50 98.303 11.203 -2.632 1.00 1.00 H new ATOM 0 HG22 THR X 50 98.260 10.010 -3.952 1.00 1.00 H new ATOM 0 HG23 THR X 50 97.059 11.322 -3.899 1.00 1.00 H new ATOM 836 N ILE X 51 95.192 7.138 -1.919 1.00 1.00 N ATOM 837 CA ILE X 51 94.278 6.338 -1.111 1.00 1.00 C ATOM 838 C ILE X 51 93.512 7.231 -0.137 1.00 1.00 C ATOM 839 O ILE X 51 94.074 7.729 0.841 1.00 1.00 O ATOM 840 CB ILE X 51 95.073 5.283 -0.322 1.00 1.00 C ATOM 841 CG1 ILE X 51 95.842 4.366 -1.289 1.00 1.00 C ATOM 842 CG2 ILE X 51 94.112 4.438 0.513 1.00 1.00 C ATOM 843 CD1 ILE X 51 96.947 3.622 -0.534 1.00 1.00 C ATOM 0 H ILE X 51 96.157 6.808 -1.924 1.00 1.00 H new ATOM 0 HA ILE X 51 93.567 5.842 -1.772 1.00 1.00 H new ATOM 0 HB ILE X 51 95.782 5.792 0.331 1.00 1.00 H new ATOM 0 HG12 ILE X 51 95.158 3.652 -1.748 1.00 1.00 H new ATOM 0 HG13 ILE X 51 96.275 4.956 -2.097 1.00 1.00 H new ATOM 0 HG21 ILE X 51 94.676 3.691 1.072 1.00 1.00 H new ATOM 0 HG22 ILE X 51 93.573 5.081 1.209 1.00 1.00 H new ATOM 0 HG23 ILE X 51 93.401 3.939 -0.145 1.00 1.00 H new ATOM 0 HD11 ILE X 51 97.487 2.975 -1.225 1.00 1.00 H new ATOM 0 HD12 ILE X 51 97.638 4.343 -0.097 1.00 1.00 H new ATOM 0 HD13 ILE X 51 96.504 3.018 0.258 1.00 1.00 H new ATOM 855 N ASP X 52 92.222 7.419 -0.411 1.00 1.00 N ATOM 856 CA ASP X 52 91.371 8.246 0.442 1.00 1.00 C ATOM 857 C ASP X 52 90.166 7.448 0.926 1.00 1.00 C ATOM 858 O ASP X 52 89.522 7.809 1.912 1.00 1.00 O ATOM 859 CB ASP X 52 90.903 9.480 -0.331 1.00 1.00 C ATOM 860 CG ASP X 52 90.029 10.350 0.566 1.00 1.00 C ATOM 861 OD1 ASP X 52 90.045 10.127 1.766 1.00 1.00 O ATOM 862 OD2 ASP X 52 89.357 11.223 0.044 1.00 1.00 O ATOM 0 H ASP X 52 91.745 7.011 -1.215 1.00 1.00 H new ATOM 0 HA ASP X 52 91.949 8.564 1.310 1.00 1.00 H new ATOM 0 HB2 ASP X 52 91.764 10.051 -0.679 1.00 1.00 H new ATOM 0 HB3 ASP X 52 90.343 9.176 -1.215 1.00 1.00 H new ATOM 867 N ILE X 53 89.876 6.359 0.233 1.00 1.00 N ATOM 868 CA ILE X 53 88.761 5.502 0.602 1.00 1.00 C ATOM 869 C ILE X 53 88.993 4.905 1.985 1.00 1.00 C ATOM 870 O ILE X 53 88.066 4.410 2.627 1.00 1.00 O ATOM 871 CB ILE X 53 88.605 4.398 -0.428 1.00 1.00 C ATOM 872 CG1 ILE X 53 88.262 5.018 -1.753 1.00 1.00 C ATOM 873 CG2 ILE X 53 87.440 3.508 -0.032 1.00 1.00 C ATOM 874 CD1 ILE X 53 88.476 4.003 -2.880 1.00 1.00 C ATOM 0 H ILE X 53 90.396 6.048 -0.587 1.00 1.00 H new ATOM 0 HA ILE X 53 87.847 6.095 0.630 1.00 1.00 H new ATOM 0 HB ILE X 53 89.530 3.824 -0.488 1.00 1.00 H new ATOM 0 HG12 ILE X 53 87.225 5.355 -1.748 1.00 1.00 H new ATOM 0 HG13 ILE X 53 88.882 5.898 -1.923 1.00 1.00 H new ATOM 0 HG21 ILE X 53 87.323 2.713 -0.768 1.00 1.00 H new ATOM 0 HG22 ILE X 53 87.633 3.070 0.947 1.00 1.00 H new ATOM 0 HG23 ILE X 53 86.527 4.101 0.010 1.00 1.00 H new ATOM 0 HD11 ILE X 53 88.225 4.462 -3.836 1.00 1.00 H new ATOM 0 HD12 ILE X 53 89.519 3.687 -2.892 1.00 1.00 H new ATOM 0 HD13 ILE X 53 87.837 3.136 -2.715 1.00 1.00 H new ATOM 886 N LYS X 54 90.234 4.957 2.438 1.00 1.00 N ATOM 887 CA LYS X 54 90.581 4.405 3.740 1.00 1.00 C ATOM 888 C LYS X 54 89.571 4.864 4.783 1.00 1.00 C ATOM 889 O LYS X 54 89.314 4.162 5.760 1.00 1.00 O ATOM 890 CB LYS X 54 91.982 4.865 4.143 1.00 1.00 C ATOM 891 CG LYS X 54 92.395 4.173 5.443 1.00 1.00 C ATOM 892 CD LYS X 54 93.818 4.594 5.817 1.00 1.00 C ATOM 893 CE LYS X 54 94.236 3.889 7.109 1.00 1.00 C ATOM 894 NZ LYS X 54 95.623 4.296 7.470 1.00 1.00 N ATOM 0 H LYS X 54 91.014 5.372 1.929 1.00 1.00 H new ATOM 0 HA LYS X 54 90.564 3.317 3.680 1.00 1.00 H new ATOM 0 HB2 LYS X 54 92.694 4.630 3.352 1.00 1.00 H new ATOM 0 HB3 LYS X 54 91.997 5.947 4.275 1.00 1.00 H new ATOM 0 HG2 LYS X 54 91.704 4.438 6.243 1.00 1.00 H new ATOM 0 HG3 LYS X 54 92.344 3.091 5.323 1.00 1.00 H new ATOM 0 HD2 LYS X 54 94.507 4.339 5.012 1.00 1.00 H new ATOM 0 HD3 LYS X 54 93.866 5.675 5.948 1.00 1.00 H new ATOM 0 HE2 LYS X 54 93.549 4.146 7.915 1.00 1.00 H new ATOM 0 HE3 LYS X 54 94.185 2.808 6.979 1.00 1.00 H new ATOM 0 HZ1 LYS X 54 95.908 3.817 8.348 1.00 1.00 H new ATOM 0 HZ2 LYS X 54 96.274 4.030 6.704 1.00 1.00 H new ATOM 0 HZ3 LYS X 54 95.657 5.326 7.611 1.00 1.00 H new ATOM 908 N ARG X 55 88.989 6.034 4.556 1.00 1.00 N ATOM 909 CA ARG X 55 87.985 6.555 5.469 1.00 1.00 C ATOM 910 C ARG X 55 86.740 5.675 5.442 1.00 1.00 C ATOM 911 O ARG X 55 86.126 5.421 6.481 1.00 1.00 O ATOM 912 CB ARG X 55 87.609 7.981 5.074 1.00 1.00 C ATOM 913 CG ARG X 55 88.775 8.913 5.394 1.00 1.00 C ATOM 914 CD ARG X 55 88.448 10.324 4.910 1.00 1.00 C ATOM 915 NE ARG X 55 89.550 11.228 5.217 1.00 1.00 N ATOM 916 CZ ARG X 55 89.383 12.546 5.200 1.00 1.00 C ATOM 917 NH1 ARG X 55 88.217 13.052 4.903 1.00 1.00 N ATOM 918 NH2 ARG X 55 90.384 13.335 5.480 1.00 1.00 N ATOM 0 H ARG X 55 89.193 6.633 3.756 1.00 1.00 H new ATOM 0 HA ARG X 55 88.400 6.557 6.477 1.00 1.00 H new ATOM 0 HB2 ARG X 55 87.372 8.027 4.011 1.00 1.00 H new ATOM 0 HB3 ARG X 55 86.716 8.297 5.613 1.00 1.00 H new ATOM 0 HG2 ARG X 55 88.964 8.920 6.467 1.00 1.00 H new ATOM 0 HG3 ARG X 55 89.684 8.554 4.912 1.00 1.00 H new ATOM 0 HD2 ARG X 55 88.264 10.315 3.836 1.00 1.00 H new ATOM 0 HD3 ARG X 55 87.534 10.678 5.387 1.00 1.00 H new ATOM 0 HE ARG X 55 90.465 10.842 5.449 1.00 1.00 H new ATOM 0 HH11 ARG X 55 87.434 12.436 4.684 1.00 1.00 H new ATOM 0 HH12 ARG X 55 88.088 14.064 4.890 1.00 1.00 H new ATOM 0 HH21 ARG X 55 91.295 12.940 5.712 1.00 1.00 H new ATOM 0 HH22 ARG X 55 90.255 14.347 5.467 1.00 1.00 H new ATOM 932 N TRP X 56 86.367 5.215 4.246 1.00 1.00 N ATOM 933 CA TRP X 56 85.186 4.369 4.116 1.00 1.00 C ATOM 934 C TRP X 56 85.384 3.071 4.891 1.00 1.00 C ATOM 935 O TRP X 56 84.547 2.678 5.706 1.00 1.00 O ATOM 936 CB TRP X 56 84.911 4.059 2.633 1.00 1.00 C ATOM 937 CG TRP X 56 83.794 3.056 2.505 1.00 1.00 C ATOM 938 CD1 TRP X 56 82.858 2.814 3.452 1.00 1.00 C ATOM 939 CD2 TRP X 56 83.479 2.178 1.386 1.00 1.00 C ATOM 940 NE1 TRP X 56 81.990 1.843 2.986 1.00 1.00 N ATOM 941 CE2 TRP X 56 82.332 1.419 1.717 1.00 1.00 C ATOM 942 CE3 TRP X 56 84.074 1.967 0.128 1.00 1.00 C ATOM 943 CZ2 TRP X 56 81.792 0.486 0.832 1.00 1.00 C ATOM 944 CZ3 TRP X 56 83.533 1.028 -0.765 1.00 1.00 C ATOM 945 CH2 TRP X 56 82.394 0.289 -0.414 1.00 1.00 C ATOM 0 H TRP X 56 86.856 5.410 3.372 1.00 1.00 H new ATOM 0 HA TRP X 56 84.329 4.901 4.528 1.00 1.00 H new ATOM 0 HB2 TRP X 56 84.647 4.976 2.106 1.00 1.00 H new ATOM 0 HB3 TRP X 56 85.814 3.669 2.163 1.00 1.00 H new ATOM 0 HD1 TRP X 56 82.798 3.300 4.415 1.00 1.00 H new ATOM 0 HE1 TRP X 56 81.195 1.484 3.515 1.00 1.00 H new ATOM 0 HE3 TRP X 56 84.952 2.531 -0.152 1.00 1.00 H new ATOM 0 HZ2 TRP X 56 80.915 -0.080 1.108 1.00 1.00 H new ATOM 0 HZ3 TRP X 56 83.997 0.874 -1.728 1.00 1.00 H new ATOM 0 HH2 TRP X 56 81.983 -0.431 -1.105 1.00 1.00 H new ATOM 956 N ARG X 57 86.503 2.414 4.643 1.00 1.00 N ATOM 957 CA ARG X 57 86.800 1.158 5.328 1.00 1.00 C ATOM 958 C ARG X 57 86.957 1.377 6.827 1.00 1.00 C ATOM 959 O ARG X 57 86.590 0.522 7.624 1.00 1.00 O ATOM 960 CB ARG X 57 88.073 0.543 4.772 1.00 1.00 C ATOM 961 CG ARG X 57 87.894 0.309 3.281 1.00 1.00 C ATOM 962 CD ARG X 57 88.931 1.136 2.537 1.00 1.00 C ATOM 963 NE ARG X 57 88.797 0.938 1.107 1.00 1.00 N ATOM 964 CZ ARG X 57 89.648 1.493 0.250 1.00 1.00 C ATOM 965 NH1 ARG X 57 90.639 2.219 0.693 1.00 1.00 N ATOM 966 NH2 ARG X 57 89.493 1.314 -1.033 1.00 1.00 N ATOM 0 H ARG X 57 87.217 2.720 3.982 1.00 1.00 H new ATOM 0 HA ARG X 57 85.964 0.480 5.159 1.00 1.00 H new ATOM 0 HB2 ARG X 57 88.921 1.204 4.951 1.00 1.00 H new ATOM 0 HB3 ARG X 57 88.290 -0.398 5.278 1.00 1.00 H new ATOM 0 HG2 ARG X 57 88.013 -0.749 3.046 1.00 1.00 H new ATOM 0 HG3 ARG X 57 86.889 0.593 2.971 1.00 1.00 H new ATOM 0 HD2 ARG X 57 88.807 2.192 2.779 1.00 1.00 H new ATOM 0 HD3 ARG X 57 89.933 0.851 2.859 1.00 1.00 H new ATOM 0 HE ARG X 57 88.034 0.361 0.752 1.00 1.00 H new ATOM 0 HH11 ARG X 57 90.760 2.360 1.696 1.00 1.00 H new ATOM 0 HH12 ARG X 57 91.293 2.645 0.036 1.00 1.00 H new ATOM 0 HH21 ARG X 57 88.718 0.748 -1.379 1.00 1.00 H new ATOM 0 HH22 ARG X 57 90.146 1.740 -1.690 1.00 1.00 H new ATOM 980 N ARG X 58 87.512 2.521 7.206 1.00 1.00 N ATOM 981 CA ARG X 58 87.713 2.826 8.621 1.00 1.00 C ATOM 982 C ARG X 58 86.403 2.701 9.397 1.00 1.00 C ATOM 983 O ARG X 58 86.363 2.101 10.471 1.00 1.00 O ATOM 984 CB ARG X 58 88.252 4.248 8.772 1.00 1.00 C ATOM 985 CG ARG X 58 89.778 4.222 8.869 1.00 1.00 C ATOM 986 CD ARG X 58 90.312 5.655 8.944 1.00 1.00 C ATOM 987 NE ARG X 58 91.752 5.646 9.178 1.00 1.00 N ATOM 988 CZ ARG X 58 92.430 6.777 9.349 1.00 1.00 C ATOM 989 NH1 ARG X 58 91.811 7.924 9.285 1.00 1.00 N ATOM 990 NH2 ARG X 58 93.713 6.739 9.583 1.00 1.00 N ATOM 0 H ARG X 58 87.829 3.247 6.563 1.00 1.00 H new ATOM 0 HA ARG X 58 88.430 2.111 9.025 1.00 1.00 H new ATOM 0 HB2 ARG X 58 87.944 4.855 7.920 1.00 1.00 H new ATOM 0 HB3 ARG X 58 87.831 4.713 9.663 1.00 1.00 H new ATOM 0 HG2 ARG X 58 90.087 3.661 9.751 1.00 1.00 H new ATOM 0 HG3 ARG X 58 90.199 3.711 8.003 1.00 1.00 H new ATOM 0 HD2 ARG X 58 90.091 6.182 8.016 1.00 1.00 H new ATOM 0 HD3 ARG X 58 89.810 6.196 9.746 1.00 1.00 H new ATOM 0 HE ARG X 58 92.248 4.755 9.211 1.00 1.00 H new ATOM 0 HH11 ARG X 58 90.808 7.953 9.104 1.00 1.00 H new ATOM 0 HH12 ARG X 58 92.331 8.792 9.416 1.00 1.00 H new ATOM 0 HH21 ARG X 58 94.196 5.842 9.635 1.00 1.00 H new ATOM 0 HH22 ARG X 58 94.233 7.606 9.714 1.00 1.00 H new ATOM 1004 N VAL X 59 85.336 3.262 8.845 1.00 1.00 N ATOM 1005 CA VAL X 59 84.034 3.194 9.495 1.00 1.00 C ATOM 1006 C VAL X 59 83.524 1.759 9.491 1.00 1.00 C ATOM 1007 O VAL X 59 82.979 1.283 10.484 1.00 1.00 O ATOM 1008 CB VAL X 59 83.035 4.100 8.772 1.00 1.00 C ATOM 1009 CG1 VAL X 59 81.684 4.045 9.481 1.00 1.00 C ATOM 1010 CG2 VAL X 59 83.558 5.539 8.773 1.00 1.00 C ATOM 0 H VAL X 59 85.345 3.765 7.957 1.00 1.00 H new ATOM 0 HA VAL X 59 84.139 3.533 10.525 1.00 1.00 H new ATOM 0 HB VAL X 59 82.915 3.758 7.744 1.00 1.00 H new ATOM 0 HG11 VAL X 59 80.975 4.691 8.964 1.00 1.00 H new ATOM 0 HG12 VAL X 59 81.312 3.021 9.476 1.00 1.00 H new ATOM 0 HG13 VAL X 59 81.799 4.384 10.511 1.00 1.00 H new ATOM 0 HG21 VAL X 59 82.847 6.185 8.258 1.00 1.00 H new ATOM 0 HG22 VAL X 59 83.681 5.881 9.801 1.00 1.00 H new ATOM 0 HG23 VAL X 59 84.519 5.577 8.261 1.00 1.00 H new ATOM 1020 N GLY X 60 83.699 1.079 8.362 1.00 1.00 N ATOM 1021 CA GLY X 60 83.244 -0.298 8.236 1.00 1.00 C ATOM 1022 C GLY X 60 83.962 -1.205 9.224 1.00 1.00 C ATOM 1023 O GLY X 60 83.331 -1.952 9.942 1.00 1.00 O ATOM 0 H GLY X 60 84.149 1.457 7.528 1.00 1.00 H new ATOM 0 HA2 GLY X 60 82.169 -0.346 8.409 1.00 1.00 H new ATOM 0 HA3 GLY X 60 83.420 -0.651 7.220 1.00 1.00 H new ATOM 1027 N ASP X 61 85.282 -1.129 9.266 1.00 1.00 N ATOM 1028 CA ASP X 61 86.050 -1.956 10.183 1.00 1.00 C ATOM 1029 C ASP X 61 85.587 -1.735 11.621 1.00 1.00 C ATOM 1030 O ASP X 61 85.435 -2.686 12.387 1.00 1.00 O ATOM 1031 CB ASP X 61 87.530 -1.602 10.071 1.00 1.00 C ATOM 1032 CG ASP X 61 88.356 -2.506 10.977 1.00 1.00 C ATOM 1033 OD1 ASP X 61 87.771 -3.364 11.619 1.00 1.00 O ATOM 1034 OD2 ASP X 61 89.563 -2.332 11.014 1.00 1.00 O ATOM 0 H ASP X 61 85.841 -0.508 8.681 1.00 1.00 H new ATOM 0 HA ASP X 61 85.897 -3.003 9.920 1.00 1.00 H new ATOM 0 HB2 ASP X 61 87.860 -1.710 9.038 1.00 1.00 H new ATOM 0 HB3 ASP X 61 87.684 -0.559 10.347 1.00 1.00 H new ATOM 1039 N CYS X 62 85.368 -0.475 11.985 1.00 1.00 N ATOM 1040 CA CYS X 62 84.930 -0.156 13.343 1.00 1.00 C ATOM 1041 C CYS X 62 83.525 -0.696 13.608 1.00 1.00 C ATOM 1042 O CYS X 62 83.305 -1.500 14.525 1.00 1.00 O ATOM 1043 CB CYS X 62 84.934 1.362 13.540 1.00 1.00 C ATOM 1044 SG CYS X 62 86.597 2.010 13.237 1.00 1.00 S ATOM 0 H CYS X 62 85.484 0.331 11.371 1.00 1.00 H new ATOM 0 HA CYS X 62 85.620 -0.626 14.044 1.00 1.00 H new ATOM 0 HB2 CYS X 62 84.221 1.829 12.860 1.00 1.00 H new ATOM 0 HB3 CYS X 62 84.616 1.608 14.553 1.00 1.00 H new ATOM 0 HG CYS X 62 86.778 2.159 11.958 1.00 1.00 H new ATOM 1050 N PHE X 63 82.575 -0.255 12.796 1.00 1.00 N ATOM 1051 CA PHE X 63 81.199 -0.695 12.952 1.00 1.00 C ATOM 1052 C PHE X 63 81.088 -2.201 12.758 1.00 1.00 C ATOM 1053 O PHE X 63 80.299 -2.864 13.425 1.00 1.00 O ATOM 1054 CB PHE X 63 80.301 0.016 11.944 1.00 1.00 C ATOM 1055 CG PHE X 63 79.459 1.046 12.659 1.00 1.00 C ATOM 1056 CD1 PHE X 63 78.382 0.641 13.457 1.00 1.00 C ATOM 1057 CD2 PHE X 63 79.758 2.406 12.524 1.00 1.00 C ATOM 1058 CE1 PHE X 63 77.604 1.597 14.120 1.00 1.00 C ATOM 1059 CE2 PHE X 63 78.981 3.363 13.187 1.00 1.00 C ATOM 1060 CZ PHE X 63 77.904 2.958 13.985 1.00 1.00 C ATOM 0 H PHE X 63 82.730 0.401 12.030 1.00 1.00 H new ATOM 0 HA PHE X 63 80.877 -0.446 13.963 1.00 1.00 H new ATOM 0 HB2 PHE X 63 80.907 0.496 11.176 1.00 1.00 H new ATOM 0 HB3 PHE X 63 79.660 -0.706 11.439 1.00 1.00 H new ATOM 0 HD1 PHE X 63 78.152 -0.409 13.561 1.00 1.00 H new ATOM 0 HD2 PHE X 63 80.589 2.718 11.908 1.00 1.00 H new ATOM 0 HE1 PHE X 63 76.773 1.285 14.735 1.00 1.00 H new ATOM 0 HE2 PHE X 63 79.212 4.413 13.083 1.00 1.00 H new ATOM 0 HZ PHE X 63 77.304 3.696 14.497 1.00 1.00 H new ATOM 1070 N GLN X 64 81.887 -2.730 11.842 1.00 1.00 N ATOM 1071 CA GLN X 64 81.882 -4.157 11.554 1.00 1.00 C ATOM 1072 C GLN X 64 82.210 -4.953 12.803 1.00 1.00 C ATOM 1073 O GLN X 64 81.660 -6.024 13.017 1.00 1.00 O ATOM 1074 CB GLN X 64 82.908 -4.483 10.457 1.00 1.00 C ATOM 1075 CG GLN X 64 83.000 -5.995 10.255 1.00 1.00 C ATOM 1076 CD GLN X 64 83.946 -6.310 9.108 1.00 1.00 C ATOM 1077 OE1 GLN X 64 85.160 -6.153 9.236 1.00 1.00 O ATOM 1078 NE2 GLN X 64 83.458 -6.759 7.984 1.00 1.00 N ATOM 0 H GLN X 64 82.549 -2.190 11.284 1.00 1.00 H new ATOM 0 HA GLN X 64 80.885 -4.431 11.209 1.00 1.00 H new ATOM 0 HB2 GLN X 64 82.619 -4.001 9.523 1.00 1.00 H new ATOM 0 HB3 GLN X 64 83.885 -4.085 10.732 1.00 1.00 H new ATOM 0 HG2 GLN X 64 83.353 -6.471 11.170 1.00 1.00 H new ATOM 0 HG3 GLN X 64 82.011 -6.403 10.044 1.00 1.00 H new ATOM 0 HE21 GLN X 64 82.452 -6.888 7.880 1.00 1.00 H new ATOM 0 HE22 GLN X 64 84.083 -6.981 7.209 1.00 1.00 H new ATOM 1087 N ASP X 65 83.121 -4.437 13.613 1.00 1.00 N ATOM 1088 CA ASP X 65 83.520 -5.138 14.825 1.00 1.00 C ATOM 1089 C ASP X 65 82.331 -5.272 15.765 1.00 1.00 C ATOM 1090 O ASP X 65 82.061 -6.350 16.295 1.00 1.00 O ATOM 1091 CB ASP X 65 84.657 -4.380 15.519 1.00 1.00 C ATOM 1092 CG ASP X 65 86.005 -4.738 14.886 1.00 1.00 C ATOM 1093 OD1 ASP X 65 86.040 -5.661 14.089 1.00 1.00 O ATOM 1094 OD2 ASP X 65 86.978 -4.073 15.204 1.00 1.00 O ATOM 0 H ASP X 65 83.594 -3.547 13.457 1.00 1.00 H new ATOM 0 HA ASP X 65 83.872 -6.134 14.558 1.00 1.00 H new ATOM 0 HB2 ASP X 65 84.486 -3.306 15.442 1.00 1.00 H new ATOM 0 HB3 ASP X 65 84.671 -4.625 16.581 1.00 1.00 H new ATOM 1099 N TYR X 66 81.616 -4.174 15.959 1.00 1.00 N ATOM 1100 CA TYR X 66 80.444 -4.192 16.827 1.00 1.00 C ATOM 1101 C TYR X 66 79.310 -5.012 16.209 1.00 1.00 C ATOM 1102 O TYR X 66 78.648 -5.789 16.899 1.00 1.00 O ATOM 1103 CB TYR X 66 79.977 -2.762 17.096 1.00 1.00 C ATOM 1104 CG TYR X 66 78.485 -2.752 17.317 1.00 1.00 C ATOM 1105 CD1 TYR X 66 77.917 -3.529 18.334 1.00 1.00 C ATOM 1106 CD2 TYR X 66 77.668 -1.967 16.495 1.00 1.00 C ATOM 1107 CE1 TYR X 66 76.531 -3.521 18.530 1.00 1.00 C ATOM 1108 CE2 TYR X 66 76.281 -1.959 16.690 1.00 1.00 C ATOM 1109 CZ TYR X 66 75.713 -2.736 17.707 1.00 1.00 C ATOM 1110 OH TYR X 66 74.346 -2.730 17.901 1.00 1.00 O ATOM 0 H TYR X 66 81.821 -3.270 15.534 1.00 1.00 H new ATOM 0 HA TYR X 66 80.723 -4.664 17.769 1.00 1.00 H new ATOM 0 HB2 TYR X 66 80.487 -2.360 17.971 1.00 1.00 H new ATOM 0 HB3 TYR X 66 80.235 -2.120 16.254 1.00 1.00 H new ATOM 0 HD1 TYR X 66 78.548 -4.135 18.967 1.00 1.00 H new ATOM 0 HD2 TYR X 66 78.107 -1.368 15.711 1.00 1.00 H new ATOM 0 HE1 TYR X 66 76.093 -4.119 19.315 1.00 1.00 H new ATOM 0 HE2 TYR X 66 75.650 -1.354 16.056 1.00 1.00 H new ATOM 0 HH TYR X 66 73.925 -2.133 17.247 1.00 1.00 H new ATOM 1120 N TYR X 67 79.085 -4.824 14.912 1.00 1.00 N ATOM 1121 CA TYR X 67 78.024 -5.543 14.208 1.00 1.00 C ATOM 1122 C TYR X 67 78.302 -7.046 14.179 1.00 1.00 C ATOM 1123 O TYR X 67 77.422 -7.855 14.469 1.00 1.00 O ATOM 1124 CB TYR X 67 77.903 -5.008 12.767 1.00 1.00 C ATOM 1125 CG TYR X 67 76.577 -4.299 12.580 1.00 1.00 C ATOM 1126 CD1 TYR X 67 76.163 -3.338 13.511 1.00 1.00 C ATOM 1127 CD2 TYR X 67 75.760 -4.611 11.486 1.00 1.00 C ATOM 1128 CE1 TYR X 67 74.933 -2.690 13.348 1.00 1.00 C ATOM 1129 CE2 TYR X 67 74.530 -3.962 11.324 1.00 1.00 C ATOM 1130 CZ TYR X 67 74.117 -3.002 12.255 1.00 1.00 C ATOM 1131 OH TYR X 67 72.904 -2.364 12.096 1.00 1.00 O ATOM 0 H TYR X 67 79.620 -4.182 14.327 1.00 1.00 H new ATOM 0 HA TYR X 67 77.088 -5.380 14.741 1.00 1.00 H new ATOM 0 HB2 TYR X 67 78.723 -4.322 12.556 1.00 1.00 H new ATOM 0 HB3 TYR X 67 77.986 -5.831 12.058 1.00 1.00 H new ATOM 0 HD1 TYR X 67 76.793 -3.097 14.355 1.00 1.00 H new ATOM 0 HD2 TYR X 67 76.079 -5.352 10.768 1.00 1.00 H new ATOM 0 HE1 TYR X 67 74.614 -1.949 14.066 1.00 1.00 H new ATOM 0 HE2 TYR X 67 73.900 -4.202 10.480 1.00 1.00 H new ATOM 0 HH TYR X 67 72.463 -2.696 11.286 1.00 1.00 H new ATOM 1141 N ASN X 68 79.528 -7.412 13.822 1.00 1.00 N ATOM 1142 CA ASN X 68 79.906 -8.814 13.751 1.00 1.00 C ATOM 1143 C ASN X 68 79.895 -9.460 15.132 1.00 1.00 C ATOM 1144 O ASN X 68 79.454 -10.598 15.290 1.00 1.00 O ATOM 1145 CB ASN X 68 81.300 -8.948 13.142 1.00 1.00 C ATOM 1146 CG ASN X 68 81.235 -8.716 11.636 1.00 1.00 C ATOM 1147 OD1 ASN X 68 80.105 -8.361 11.087 1.00 1.00 O flip ATOM 1148 ND2 ASN X 68 82.240 -8.864 10.941 1.00 1.00 N flip ATOM 0 H ASN X 68 80.273 -6.759 13.579 1.00 1.00 H new ATOM 0 HA ASN X 68 79.177 -9.326 13.123 1.00 1.00 H new ATOM 0 HB2 ASN X 68 81.977 -8.227 13.601 1.00 1.00 H new ATOM 0 HB3 ASN X 68 81.702 -9.940 13.349 1.00 1.00 H new ATOM 0 HD21 ASN X 68 83.122 -9.141 11.372 1.00 1.00 H new ATOM 0 HD22 ASN X 68 82.191 -8.709 9.934 1.00 1.00 H new ATOM 1155 N THR X 69 80.392 -8.731 16.128 1.00 1.00 N ATOM 1156 CA THR X 69 80.445 -9.257 17.490 1.00 1.00 C ATOM 1157 C THR X 69 79.048 -9.578 17.995 1.00 1.00 C ATOM 1158 O THR X 69 78.801 -10.664 18.520 1.00 1.00 O ATOM 1159 CB THR X 69 81.097 -8.231 18.417 1.00 1.00 C ATOM 1160 OG1 THR X 69 80.619 -6.938 18.086 1.00 1.00 O ATOM 1161 CG2 THR X 69 82.616 -8.277 18.253 1.00 1.00 C ATOM 0 H THR X 69 80.760 -7.786 16.021 1.00 1.00 H new ATOM 0 HA THR X 69 81.036 -10.173 17.483 1.00 1.00 H new ATOM 0 HB THR X 69 80.845 -8.461 19.452 1.00 1.00 H new ATOM 0 HG1 THR X 69 81.315 -6.446 17.602 1.00 1.00 H new ATOM 0 HG21 THR X 69 83.076 -7.544 18.916 1.00 1.00 H new ATOM 0 HG22 THR X 69 82.979 -9.273 18.506 1.00 1.00 H new ATOM 0 HG23 THR X 69 82.878 -8.047 17.220 1.00 1.00 H new ATOM 1169 N PHE X 70 78.133 -8.633 17.828 1.00 1.00 N ATOM 1170 CA PHE X 70 76.759 -8.840 18.268 1.00 1.00 C ATOM 1171 C PHE X 70 76.100 -9.959 17.467 1.00 1.00 C ATOM 1172 O PHE X 70 75.282 -10.712 17.997 1.00 1.00 O ATOM 1173 CB PHE X 70 75.957 -7.550 18.110 1.00 1.00 C ATOM 1174 CG PHE X 70 76.052 -6.740 19.382 1.00 1.00 C ATOM 1175 CD1 PHE X 70 77.304 -6.333 19.857 1.00 1.00 C ATOM 1176 CD2 PHE X 70 74.891 -6.396 20.084 1.00 1.00 C ATOM 1177 CE1 PHE X 70 77.395 -5.583 21.036 1.00 1.00 C ATOM 1178 CE2 PHE X 70 74.981 -5.645 21.262 1.00 1.00 C ATOM 1179 CZ PHE X 70 76.234 -5.239 21.738 1.00 1.00 C ATOM 0 H PHE X 70 78.313 -7.726 17.397 1.00 1.00 H new ATOM 0 HA PHE X 70 76.775 -9.126 19.320 1.00 1.00 H new ATOM 0 HB2 PHE X 70 76.339 -6.972 17.269 1.00 1.00 H new ATOM 0 HB3 PHE X 70 74.915 -7.782 17.890 1.00 1.00 H new ATOM 0 HD1 PHE X 70 78.200 -6.597 19.314 1.00 1.00 H new ATOM 0 HD2 PHE X 70 73.925 -6.710 19.717 1.00 1.00 H new ATOM 0 HE1 PHE X 70 78.361 -5.270 21.404 1.00 1.00 H new ATOM 0 HE2 PHE X 70 74.085 -5.379 21.803 1.00 1.00 H new ATOM 0 HZ PHE X 70 76.304 -4.660 22.647 1.00 1.00 H new ATOM 1189 N GLY X 71 76.442 -10.053 16.185 1.00 1.00 N ATOM 1190 CA GLY X 71 75.855 -11.069 15.324 1.00 1.00 C ATOM 1191 C GLY X 71 75.712 -10.545 13.897 1.00 1.00 C ATOM 1192 O GLY X 71 76.147 -11.190 12.944 1.00 1.00 O ATOM 0 H GLY X 71 77.117 -9.442 15.725 1.00 1.00 H new ATOM 0 HA2 GLY X 71 76.479 -11.962 15.328 1.00 1.00 H new ATOM 0 HA3 GLY X 71 74.878 -11.361 15.710 1.00 1.00 H new ATOM 1196 N PRO X 72 75.114 -9.389 13.738 1.00 1.00 N ATOM 1197 CA PRO X 72 74.917 -8.768 12.398 1.00 1.00 C ATOM 1198 C PRO X 72 76.164 -8.867 11.523 1.00 1.00 C ATOM 1199 O PRO X 72 77.107 -8.088 11.664 1.00 1.00 O ATOM 1200 CB PRO X 72 74.605 -7.315 12.732 1.00 1.00 C ATOM 1201 CG PRO X 72 73.987 -7.333 14.090 1.00 1.00 C ATOM 1202 CD PRO X 72 74.558 -8.544 14.817 1.00 1.00 C ATOM 0 HA PRO X 72 74.134 -9.265 11.824 1.00 1.00 H new ATOM 0 HB2 PRO X 72 75.511 -6.709 12.723 1.00 1.00 H new ATOM 0 HB3 PRO X 72 73.924 -6.883 11.998 1.00 1.00 H new ATOM 0 HG2 PRO X 72 74.215 -6.414 14.631 1.00 1.00 H new ATOM 0 HG3 PRO X 72 72.901 -7.401 14.020 1.00 1.00 H new ATOM 0 HD2 PRO X 72 75.328 -8.253 15.531 1.00 1.00 H new ATOM 0 HD3 PRO X 72 73.787 -9.072 15.378 1.00 1.00 H new ATOM 1210 N GLU X 73 76.151 -9.834 10.618 1.00 1.00 N ATOM 1211 CA GLU X 73 77.270 -10.053 9.710 1.00 1.00 C ATOM 1212 C GLU X 73 77.094 -9.260 8.418 1.00 1.00 C ATOM 1213 O GLU X 73 77.870 -9.424 7.479 1.00 1.00 O ATOM 1214 CB GLU X 73 77.412 -11.542 9.404 1.00 1.00 C ATOM 1215 CG GLU X 73 76.172 -12.039 8.655 1.00 1.00 C ATOM 1216 CD GLU X 73 76.252 -13.549 8.461 1.00 1.00 C ATOM 1217 OE1 GLU X 73 76.704 -14.220 9.374 1.00 1.00 O ATOM 1218 OE2 GLU X 73 75.854 -14.013 7.406 1.00 1.00 O ATOM 0 H GLU X 73 75.374 -10.483 10.492 1.00 1.00 H new ATOM 0 HA GLU X 73 78.179 -9.702 10.198 1.00 1.00 H new ATOM 0 HB2 GLU X 73 78.305 -11.715 8.803 1.00 1.00 H new ATOM 0 HB3 GLU X 73 77.537 -12.103 10.330 1.00 1.00 H new ATOM 0 HG2 GLU X 73 75.272 -11.783 9.214 1.00 1.00 H new ATOM 0 HG3 GLU X 73 76.098 -11.543 7.687 1.00 1.00 H new ATOM 1225 N LYS X 74 76.055 -8.423 8.376 1.00 1.00 N ATOM 1226 CA LYS X 74 75.765 -7.618 7.192 1.00 1.00 C ATOM 1227 C LYS X 74 77.049 -7.219 6.485 1.00 1.00 C ATOM 1228 O LYS X 74 77.098 -7.170 5.256 1.00 1.00 O ATOM 1229 CB LYS X 74 74.968 -6.369 7.594 1.00 1.00 C ATOM 1230 CG LYS X 74 74.882 -5.404 6.407 1.00 1.00 C ATOM 1231 CD LYS X 74 74.006 -4.212 6.774 1.00 1.00 C ATOM 1232 CE LYS X 74 74.094 -3.175 5.654 1.00 1.00 C ATOM 1233 NZ LYS X 74 73.341 -1.954 6.051 1.00 1.00 N ATOM 0 H LYS X 74 75.403 -8.287 9.148 1.00 1.00 H new ATOM 0 HA LYS X 74 75.169 -8.215 6.502 1.00 1.00 H new ATOM 0 HB2 LYS X 74 73.966 -6.654 7.916 1.00 1.00 H new ATOM 0 HB3 LYS X 74 75.448 -5.877 8.440 1.00 1.00 H new ATOM 0 HG2 LYS X 74 75.880 -5.063 6.131 1.00 1.00 H new ATOM 0 HG3 LYS X 74 74.469 -5.917 5.538 1.00 1.00 H new ATOM 0 HD2 LYS X 74 72.973 -4.531 6.913 1.00 1.00 H new ATOM 0 HD3 LYS X 74 74.335 -3.778 7.718 1.00 1.00 H new ATOM 0 HE2 LYS X 74 75.136 -2.925 5.456 1.00 1.00 H new ATOM 0 HE3 LYS X 74 73.684 -3.585 4.731 1.00 1.00 H new ATOM 0 HZ1 LYS X 74 73.400 -1.247 5.290 1.00 1.00 H new ATOM 0 HZ2 LYS X 74 72.345 -2.200 6.219 1.00 1.00 H new ATOM 0 HZ3 LYS X 74 73.752 -1.560 6.922 1.00 1.00 H new ATOM 1247 N VAL X 75 78.085 -6.941 7.266 1.00 1.00 N ATOM 1248 CA VAL X 75 79.372 -6.562 6.707 1.00 1.00 C ATOM 1249 C VAL X 75 80.436 -7.580 7.126 1.00 1.00 C ATOM 1250 O VAL X 75 81.119 -7.396 8.132 1.00 1.00 O ATOM 1251 CB VAL X 75 79.763 -5.168 7.194 1.00 1.00 C ATOM 1252 CG1 VAL X 75 79.131 -4.111 6.279 1.00 1.00 C ATOM 1253 CG2 VAL X 75 79.270 -4.969 8.625 1.00 1.00 C ATOM 0 H VAL X 75 78.058 -6.971 8.285 1.00 1.00 H new ATOM 0 HA VAL X 75 79.299 -6.547 5.620 1.00 1.00 H new ATOM 0 HB VAL X 75 80.848 -5.066 7.170 1.00 1.00 H new ATOM 0 HG11 VAL X 75 79.410 -3.116 6.626 1.00 1.00 H new ATOM 0 HG12 VAL X 75 79.488 -4.253 5.259 1.00 1.00 H new ATOM 0 HG13 VAL X 75 78.046 -4.212 6.301 1.00 1.00 H new ATOM 0 HG21 VAL X 75 79.550 -3.974 8.971 1.00 1.00 H new ATOM 0 HG22 VAL X 75 78.185 -5.072 8.654 1.00 1.00 H new ATOM 0 HG23 VAL X 75 79.723 -5.719 9.273 1.00 1.00 H new ATOM 1263 N PRO X 76 80.581 -8.648 6.381 1.00 1.00 N ATOM 1264 CA PRO X 76 81.576 -9.722 6.685 1.00 1.00 C ATOM 1265 C PRO X 76 83.001 -9.189 6.785 1.00 1.00 C ATOM 1266 O PRO X 76 83.367 -8.231 6.106 1.00 1.00 O ATOM 1267 CB PRO X 76 81.445 -10.688 5.506 1.00 1.00 C ATOM 1268 CG PRO X 76 80.093 -10.433 4.933 1.00 1.00 C ATOM 1269 CD PRO X 76 79.806 -8.960 5.171 1.00 1.00 C ATOM 0 HA PRO X 76 81.381 -10.186 7.652 1.00 1.00 H new ATOM 0 HB2 PRO X 76 82.225 -10.512 4.765 1.00 1.00 H new ATOM 0 HB3 PRO X 76 81.544 -11.723 5.833 1.00 1.00 H new ATOM 0 HG2 PRO X 76 80.070 -10.668 3.869 1.00 1.00 H new ATOM 0 HG3 PRO X 76 79.341 -11.059 5.414 1.00 1.00 H new ATOM 0 HD2 PRO X 76 80.120 -8.349 4.325 1.00 1.00 H new ATOM 0 HD3 PRO X 76 78.742 -8.778 5.318 1.00 1.00 H new ATOM 1277 N VAL X 77 83.799 -9.823 7.642 1.00 1.00 N ATOM 1278 CA VAL X 77 85.183 -9.407 7.839 1.00 1.00 C ATOM 1279 C VAL X 77 85.941 -9.412 6.519 1.00 1.00 C ATOM 1280 O VAL X 77 86.907 -8.670 6.345 1.00 1.00 O ATOM 1281 CB VAL X 77 85.879 -10.339 8.833 1.00 1.00 C ATOM 1282 CG1 VAL X 77 85.904 -11.760 8.264 1.00 1.00 C ATOM 1283 CG2 VAL X 77 87.316 -9.862 9.064 1.00 1.00 C ATOM 0 H VAL X 77 83.512 -10.622 8.207 1.00 1.00 H new ATOM 0 HA VAL X 77 85.179 -8.392 8.238 1.00 1.00 H new ATOM 0 HB VAL X 77 85.336 -10.331 9.778 1.00 1.00 H new ATOM 0 HG11 VAL X 77 86.399 -12.426 8.970 1.00 1.00 H new ATOM 0 HG12 VAL X 77 84.883 -12.103 8.097 1.00 1.00 H new ATOM 0 HG13 VAL X 77 86.447 -11.764 7.319 1.00 1.00 H new ATOM 0 HG21 VAL X 77 87.811 -10.527 9.772 1.00 1.00 H new ATOM 0 HG22 VAL X 77 87.859 -9.870 8.119 1.00 1.00 H new ATOM 0 HG23 VAL X 77 87.303 -8.849 9.466 1.00 1.00 H new ATOM 1293 N THR X 78 85.494 -10.247 5.590 1.00 1.00 N ATOM 1294 CA THR X 78 86.139 -10.335 4.286 1.00 1.00 C ATOM 1295 C THR X 78 86.351 -8.942 3.699 1.00 1.00 C ATOM 1296 O THR X 78 87.072 -8.775 2.715 1.00 1.00 O ATOM 1297 CB THR X 78 85.274 -11.166 3.336 1.00 1.00 C ATOM 1298 OG1 THR X 78 84.007 -10.542 3.184 1.00 1.00 O ATOM 1299 CG2 THR X 78 85.087 -12.571 3.909 1.00 1.00 C ATOM 0 H THR X 78 84.694 -10.868 5.713 1.00 1.00 H new ATOM 0 HA THR X 78 87.110 -10.815 4.410 1.00 1.00 H new ATOM 0 HB THR X 78 85.765 -11.235 2.365 1.00 1.00 H new ATOM 0 HG1 THR X 78 83.452 -11.072 2.574 1.00 1.00 H new ATOM 0 HG21 THR X 78 84.471 -13.161 3.231 1.00 1.00 H new ATOM 0 HG22 THR X 78 86.060 -13.049 4.025 1.00 1.00 H new ATOM 0 HG23 THR X 78 84.597 -12.505 4.881 1.00 1.00 H new ATOM 1307 N ALA X 79 85.716 -7.945 4.305 1.00 1.00 N ATOM 1308 CA ALA X 79 85.840 -6.572 3.836 1.00 1.00 C ATOM 1309 C ALA X 79 87.281 -6.084 3.941 1.00 1.00 C ATOM 1310 O ALA X 79 87.817 -5.495 3.002 1.00 1.00 O ATOM 1311 CB ALA X 79 84.944 -5.671 4.672 1.00 1.00 C ATOM 0 H ALA X 79 85.113 -8.062 5.119 1.00 1.00 H new ATOM 0 HA ALA X 79 85.539 -6.538 2.789 1.00 1.00 H new ATOM 0 HB1 ALA X 79 85.035 -4.642 4.323 1.00 1.00 H new ATOM 0 HB2 ALA X 79 83.908 -5.997 4.575 1.00 1.00 H new ATOM 0 HB3 ALA X 79 85.246 -5.727 5.718 1.00 1.00 H new ATOM 1317 N PHE X 80 87.903 -6.330 5.087 1.00 1.00 N ATOM 1318 CA PHE X 80 89.279 -5.907 5.300 1.00 1.00 C ATOM 1319 C PHE X 80 90.199 -6.500 4.235 1.00 1.00 C ATOM 1320 O PHE X 80 90.996 -5.790 3.623 1.00 1.00 O ATOM 1321 CB PHE X 80 89.733 -6.346 6.691 1.00 1.00 C ATOM 1322 CG PHE X 80 91.219 -6.579 6.674 1.00 1.00 C ATOM 1323 CD1 PHE X 80 92.094 -5.504 6.474 1.00 1.00 C ATOM 1324 CD2 PHE X 80 91.727 -7.872 6.850 1.00 1.00 C ATOM 1325 CE1 PHE X 80 93.477 -5.722 6.452 1.00 1.00 C ATOM 1326 CE2 PHE X 80 93.110 -8.090 6.827 1.00 1.00 C ATOM 1327 CZ PHE X 80 93.985 -7.015 6.628 1.00 1.00 C ATOM 0 H PHE X 80 87.480 -6.817 5.877 1.00 1.00 H new ATOM 0 HA PHE X 80 89.331 -4.821 5.225 1.00 1.00 H new ATOM 0 HB2 PHE X 80 89.481 -5.583 7.427 1.00 1.00 H new ATOM 0 HB3 PHE X 80 89.213 -7.257 6.986 1.00 1.00 H new ATOM 0 HD1 PHE X 80 91.702 -4.507 6.337 1.00 1.00 H new ATOM 0 HD2 PHE X 80 91.052 -8.701 7.003 1.00 1.00 H new ATOM 0 HE1 PHE X 80 94.152 -4.893 6.299 1.00 1.00 H new ATOM 0 HE2 PHE X 80 93.502 -9.087 6.963 1.00 1.00 H new ATOM 0 HZ PHE X 80 95.052 -7.183 6.610 1.00 1.00 H new ATOM 1337 N SER X 81 90.083 -7.804 4.006 1.00 1.00 N ATOM 1338 CA SER X 81 90.910 -8.464 2.998 1.00 1.00 C ATOM 1339 C SER X 81 90.612 -7.885 1.608 1.00 1.00 C ATOM 1340 O SER X 81 91.521 -7.630 0.800 1.00 1.00 O ATOM 1341 CB SER X 81 90.626 -9.969 3.015 1.00 1.00 C ATOM 1342 OG SER X 81 89.263 -10.197 2.673 1.00 1.00 O ATOM 0 H SER X 81 89.434 -8.419 4.497 1.00 1.00 H new ATOM 0 HA SER X 81 91.962 -8.293 3.226 1.00 1.00 H new ATOM 0 HB2 SER X 81 91.280 -10.482 2.310 1.00 1.00 H new ATOM 0 HB3 SER X 81 90.838 -10.379 4.002 1.00 1.00 H new ATOM 0 HG SER X 81 88.712 -9.462 3.015 1.00 1.00 H new ATOM 1348 N TYR X 82 89.333 -7.657 1.347 1.00 1.00 N ATOM 1349 CA TYR X 82 88.912 -7.092 0.076 1.00 1.00 C ATOM 1350 C TYR X 82 89.578 -5.735 -0.129 1.00 1.00 C ATOM 1351 O TYR X 82 90.020 -5.399 -1.236 1.00 1.00 O ATOM 1352 CB TYR X 82 87.379 -6.959 0.046 1.00 1.00 C ATOM 1353 CG TYR X 82 86.980 -5.833 -0.871 1.00 1.00 C ATOM 1354 CD1 TYR X 82 87.562 -5.737 -2.141 1.00 1.00 C ATOM 1355 CD2 TYR X 82 86.047 -4.876 -0.455 1.00 1.00 C ATOM 1356 CE1 TYR X 82 87.212 -4.685 -2.994 1.00 1.00 C ATOM 1357 CE2 TYR X 82 85.697 -3.822 -1.308 1.00 1.00 C ATOM 1358 CZ TYR X 82 86.279 -3.726 -2.578 1.00 1.00 C ATOM 1359 OH TYR X 82 85.928 -2.691 -3.420 1.00 1.00 O ATOM 0 H TYR X 82 88.572 -7.854 1.997 1.00 1.00 H new ATOM 0 HA TYR X 82 89.216 -7.753 -0.736 1.00 1.00 H new ATOM 0 HB2 TYR X 82 86.931 -7.893 -0.294 1.00 1.00 H new ATOM 0 HB3 TYR X 82 87.002 -6.772 1.051 1.00 1.00 H new ATOM 0 HD1 TYR X 82 88.282 -6.476 -2.462 1.00 1.00 H new ATOM 0 HD2 TYR X 82 85.597 -4.951 0.524 1.00 1.00 H new ATOM 0 HE1 TYR X 82 87.661 -4.612 -3.973 1.00 1.00 H new ATOM 0 HE2 TYR X 82 84.978 -3.083 -0.986 1.00 1.00 H new ATOM 0 HH TYR X 82 85.269 -2.117 -2.976 1.00 1.00 H new ATOM 1369 N TRP X 83 89.655 -4.966 0.942 1.00 1.00 N ATOM 1370 CA TRP X 83 90.276 -3.657 0.876 1.00 1.00 C ATOM 1371 C TRP X 83 91.739 -3.772 0.468 1.00 1.00 C ATOM 1372 O TRP X 83 92.275 -2.891 -0.204 1.00 1.00 O ATOM 1373 CB TRP X 83 90.166 -2.941 2.217 1.00 1.00 C ATOM 1374 CG TRP X 83 90.972 -1.686 2.169 1.00 1.00 C ATOM 1375 CD1 TRP X 83 91.007 -0.821 1.129 1.00 1.00 C ATOM 1376 CD2 TRP X 83 91.850 -1.131 3.191 1.00 1.00 C ATOM 1377 NE1 TRP X 83 91.850 0.228 1.447 1.00 1.00 N ATOM 1378 CE2 TRP X 83 92.394 0.083 2.707 1.00 1.00 C ATOM 1379 CE3 TRP X 83 92.225 -1.559 4.477 1.00 1.00 C ATOM 1380 CZ2 TRP X 83 93.277 0.845 3.473 1.00 1.00 C ATOM 1381 CZ3 TRP X 83 93.113 -0.794 5.251 1.00 1.00 C ATOM 1382 CH2 TRP X 83 93.639 0.404 4.750 1.00 1.00 C ATOM 0 H TRP X 83 89.298 -5.223 1.862 1.00 1.00 H new ATOM 0 HA TRP X 83 89.748 -3.074 0.122 1.00 1.00 H new ATOM 0 HB2 TRP X 83 89.123 -2.710 2.435 1.00 1.00 H new ATOM 0 HB3 TRP X 83 90.524 -3.587 3.019 1.00 1.00 H new ATOM 0 HD1 TRP X 83 90.465 -0.932 0.202 1.00 1.00 H new ATOM 0 HE1 TRP X 83 92.046 1.013 0.826 1.00 1.00 H new ATOM 0 HE3 TRP X 83 91.828 -2.482 4.872 1.00 1.00 H new ATOM 0 HZ2 TRP X 83 93.678 1.769 3.083 1.00 1.00 H new ATOM 0 HZ3 TRP X 83 93.392 -1.131 6.238 1.00 1.00 H new ATOM 0 HH2 TRP X 83 94.323 0.986 5.349 1.00 1.00 H new ATOM 1393 N ASN X 84 92.383 -4.853 0.889 1.00 1.00 N ATOM 1394 CA ASN X 84 93.788 -5.057 0.571 1.00 1.00 C ATOM 1395 C ASN X 84 93.988 -5.018 -0.936 1.00 1.00 C ATOM 1396 O ASN X 84 94.935 -4.399 -1.429 1.00 1.00 O ATOM 1397 CB ASN X 84 94.247 -6.416 1.091 1.00 1.00 C ATOM 1398 CG ASN X 84 95.752 -6.401 1.342 1.00 1.00 C ATOM 1399 OD1 ASN X 84 96.413 -5.393 1.097 1.00 1.00 O ATOM 1400 ND2 ASN X 84 96.334 -7.467 1.821 1.00 1.00 N ATOM 0 H ASN X 84 91.959 -5.595 1.446 1.00 1.00 H new ATOM 0 HA ASN X 84 94.370 -4.265 1.042 1.00 1.00 H new ATOM 0 HB2 ASN X 84 93.719 -6.658 2.013 1.00 1.00 H new ATOM 0 HB3 ASN X 84 93.999 -7.193 0.368 1.00 1.00 H new ATOM 0 HD21 ASN X 84 97.339 -7.465 1.993 1.00 1.00 H new ATOM 0 HD22 ASN X 84 95.783 -8.301 2.023 1.00 1.00 H new ATOM 1407 N LEU X 85 93.088 -5.665 -1.668 1.00 1.00 N ATOM 1408 CA LEU X 85 93.196 -5.669 -3.121 1.00 1.00 C ATOM 1409 C LEU X 85 93.063 -4.254 -3.670 1.00 1.00 C ATOM 1410 O LEU X 85 93.764 -3.879 -4.612 1.00 1.00 O ATOM 1411 CB LEU X 85 92.124 -6.568 -3.745 1.00 1.00 C ATOM 1412 CG LEU X 85 92.581 -8.028 -3.724 1.00 1.00 C ATOM 1413 CD1 LEU X 85 93.768 -8.226 -4.670 1.00 1.00 C ATOM 1414 CD2 LEU X 85 92.993 -8.407 -2.302 1.00 1.00 C ATOM 0 H LEU X 85 92.294 -6.182 -1.290 1.00 1.00 H new ATOM 0 HA LEU X 85 94.178 -6.062 -3.383 1.00 1.00 H new ATOM 0 HB2 LEU X 85 91.188 -6.464 -3.196 1.00 1.00 H new ATOM 0 HB3 LEU X 85 91.929 -6.255 -4.771 1.00 1.00 H new ATOM 0 HG LEU X 85 91.759 -8.663 -4.053 1.00 1.00 H new ATOM 0 HD11 LEU X 85 94.083 -9.269 -4.645 1.00 1.00 H new ATOM 0 HD12 LEU X 85 93.473 -7.960 -5.685 1.00 1.00 H new ATOM 0 HD13 LEU X 85 94.595 -7.590 -4.354 1.00 1.00 H new ATOM 0 HD21 LEU X 85 93.319 -9.447 -2.283 1.00 1.00 H new ATOM 0 HD22 LEU X 85 93.811 -7.764 -1.976 1.00 1.00 H new ATOM 0 HD23 LEU X 85 92.143 -8.281 -1.631 1.00 1.00 H new ATOM 1426 N ILE X 86 92.166 -3.464 -3.090 1.00 1.00 N ATOM 1427 CA ILE X 86 91.978 -2.099 -3.556 1.00 1.00 C ATOM 1428 C ILE X 86 93.259 -1.282 -3.370 1.00 1.00 C ATOM 1429 O ILE X 86 93.658 -0.533 -4.261 1.00 1.00 O ATOM 1430 CB ILE X 86 90.860 -1.459 -2.771 1.00 1.00 C ATOM 1431 CG1 ILE X 86 89.535 -2.151 -3.089 1.00 1.00 C ATOM 1432 CG2 ILE X 86 90.757 0.018 -3.137 1.00 1.00 C ATOM 1433 CD1 ILE X 86 88.491 -1.717 -2.065 1.00 1.00 C ATOM 0 H ILE X 86 91.569 -3.740 -2.311 1.00 1.00 H new ATOM 0 HA ILE X 86 91.730 -2.121 -4.617 1.00 1.00 H new ATOM 0 HB ILE X 86 91.073 -1.559 -1.707 1.00 1.00 H new ATOM 0 HG12 ILE X 86 89.206 -1.891 -4.095 1.00 1.00 H new ATOM 0 HG13 ILE X 86 89.660 -3.234 -3.064 1.00 1.00 H new ATOM 0 HG21 ILE X 86 89.949 0.478 -2.569 1.00 1.00 H new ATOM 0 HG22 ILE X 86 91.697 0.518 -2.901 1.00 1.00 H new ATOM 0 HG23 ILE X 86 90.552 0.115 -4.203 1.00 1.00 H new ATOM 0 HD11 ILE X 86 87.542 -2.206 -2.284 1.00 1.00 H new ATOM 0 HD12 ILE X 86 88.822 -1.999 -1.066 1.00 1.00 H new ATOM 0 HD13 ILE X 86 88.362 -0.636 -2.113 1.00 1.00 H new ATOM 1445 N LYS X 87 93.901 -1.429 -2.211 1.00 1.00 N ATOM 1446 CA LYS X 87 95.132 -0.695 -1.941 1.00 1.00 C ATOM 1447 C LYS X 87 96.138 -0.910 -3.065 1.00 1.00 C ATOM 1448 O LYS X 87 96.723 0.043 -3.580 1.00 1.00 O ATOM 1449 CB LYS X 87 95.741 -1.174 -0.627 1.00 1.00 C ATOM 1450 CG LYS X 87 95.419 -0.169 0.473 1.00 1.00 C ATOM 1451 CD LYS X 87 95.897 -0.715 1.821 1.00 1.00 C ATOM 1452 CE LYS X 87 96.484 0.425 2.658 1.00 1.00 C ATOM 1453 NZ LYS X 87 96.534 0.020 4.092 1.00 1.00 N ATOM 0 H LYS X 87 93.593 -2.041 -1.455 1.00 1.00 H new ATOM 0 HA LYS X 87 94.893 0.366 -1.873 1.00 1.00 H new ATOM 0 HB2 LYS X 87 95.345 -2.156 -0.366 1.00 1.00 H new ATOM 0 HB3 LYS X 87 96.821 -1.283 -0.731 1.00 1.00 H new ATOM 0 HG2 LYS X 87 95.904 0.784 0.262 1.00 1.00 H new ATOM 0 HG3 LYS X 87 94.346 0.019 0.505 1.00 1.00 H new ATOM 0 HD2 LYS X 87 95.066 -1.179 2.352 1.00 1.00 H new ATOM 0 HD3 LYS X 87 96.648 -1.489 1.665 1.00 1.00 H new ATOM 0 HE2 LYS X 87 97.485 0.671 2.304 1.00 1.00 H new ATOM 0 HE3 LYS X 87 95.876 1.323 2.544 1.00 1.00 H new ATOM 0 HZ1 LYS X 87 97.040 0.745 4.640 1.00 1.00 H new ATOM 0 HZ2 LYS X 87 95.566 -0.079 4.459 1.00 1.00 H new ATOM 0 HZ3 LYS X 87 97.031 -0.889 4.179 1.00 1.00 H new ATOM 1467 N GLU X 88 96.313 -2.163 -3.450 1.00 1.00 N ATOM 1468 CA GLU X 88 97.225 -2.498 -4.524 1.00 1.00 C ATOM 1469 C GLU X 88 96.793 -1.818 -5.814 1.00 1.00 C ATOM 1470 O GLU X 88 97.627 -1.479 -6.651 1.00 1.00 O ATOM 1471 CB GLU X 88 97.252 -4.016 -4.731 1.00 1.00 C ATOM 1472 CG GLU X 88 98.096 -4.664 -3.634 1.00 1.00 C ATOM 1473 CD GLU X 88 98.078 -6.181 -3.791 1.00 1.00 C ATOM 1474 OE1 GLU X 88 97.504 -6.652 -4.759 1.00 1.00 O ATOM 1475 OE2 GLU X 88 98.631 -6.850 -2.933 1.00 1.00 O ATOM 0 H GLU X 88 95.835 -2.962 -3.034 1.00 1.00 H new ATOM 0 HA GLU X 88 98.222 -2.150 -4.255 1.00 1.00 H new ATOM 0 HB2 GLU X 88 96.238 -4.415 -4.708 1.00 1.00 H new ATOM 0 HB3 GLU X 88 97.666 -4.253 -5.711 1.00 1.00 H new ATOM 0 HG2 GLU X 88 99.121 -4.297 -3.687 1.00 1.00 H new ATOM 0 HG3 GLU X 88 97.708 -4.387 -2.654 1.00 1.00 H new ATOM 1482 N LEU X 89 95.488 -1.623 -5.983 1.00 1.00 N ATOM 1483 CA LEU X 89 95.001 -0.987 -7.198 1.00 1.00 C ATOM 1484 C LEU X 89 95.234 0.520 -7.185 1.00 1.00 C ATOM 1485 O LEU X 89 95.809 1.075 -8.122 1.00 1.00 O ATOM 1486 CB LEU X 89 93.506 -1.272 -7.358 1.00 1.00 C ATOM 1487 CG LEU X 89 92.951 -0.562 -8.605 1.00 1.00 C ATOM 1488 CD1 LEU X 89 93.756 -0.961 -9.842 1.00 1.00 C ATOM 1489 CD2 LEU X 89 91.489 -0.967 -8.802 1.00 1.00 C ATOM 0 H LEU X 89 94.767 -1.889 -5.312 1.00 1.00 H new ATOM 0 HA LEU X 89 95.558 -1.402 -8.038 1.00 1.00 H new ATOM 0 HB2 LEU X 89 93.342 -2.346 -7.441 1.00 1.00 H new ATOM 0 HB3 LEU X 89 92.969 -0.935 -6.471 1.00 1.00 H new ATOM 0 HG LEU X 89 93.026 0.516 -8.466 1.00 1.00 H new ATOM 0 HD11 LEU X 89 93.353 -0.452 -10.718 1.00 1.00 H new ATOM 0 HD12 LEU X 89 94.799 -0.677 -9.705 1.00 1.00 H new ATOM 0 HD13 LEU X 89 93.690 -2.039 -9.987 1.00 1.00 H new ATOM 0 HD21 LEU X 89 91.089 -0.467 -9.684 1.00 1.00 H new ATOM 0 HD22 LEU X 89 91.426 -2.047 -8.936 1.00 1.00 H new ATOM 0 HD23 LEU X 89 90.910 -0.676 -7.926 1.00 1.00 H new ATOM 1501 N ILE X 90 94.778 1.182 -6.126 1.00 1.00 N ATOM 1502 CA ILE X 90 94.934 2.626 -6.021 1.00 1.00 C ATOM 1503 C ILE X 90 96.388 3.009 -5.782 1.00 1.00 C ATOM 1504 O ILE X 90 96.905 3.944 -6.395 1.00 1.00 O ATOM 1505 CB ILE X 90 94.077 3.143 -4.869 1.00 1.00 C ATOM 1506 CG1 ILE X 90 92.630 2.695 -5.080 1.00 1.00 C ATOM 1507 CG2 ILE X 90 94.128 4.671 -4.844 1.00 1.00 C ATOM 1508 CD1 ILE X 90 91.815 2.985 -3.821 1.00 1.00 C ATOM 0 H ILE X 90 94.302 0.746 -5.336 1.00 1.00 H new ATOM 0 HA ILE X 90 94.614 3.075 -6.961 1.00 1.00 H new ATOM 0 HB ILE X 90 94.455 2.748 -3.926 1.00 1.00 H new ATOM 0 HG12 ILE X 90 92.198 3.217 -5.934 1.00 1.00 H new ATOM 0 HG13 ILE X 90 92.598 1.630 -5.309 1.00 1.00 H new ATOM 0 HG21 ILE X 90 93.516 5.042 -4.022 1.00 1.00 H new ATOM 0 HG22 ILE X 90 95.158 4.998 -4.706 1.00 1.00 H new ATOM 0 HG23 ILE X 90 93.746 5.063 -5.786 1.00 1.00 H new ATOM 0 HD11 ILE X 90 90.784 2.665 -3.973 1.00 1.00 H new ATOM 0 HD12 ILE X 90 92.243 2.442 -2.978 1.00 1.00 H new ATOM 0 HD13 ILE X 90 91.836 4.055 -3.612 1.00 1.00 H new ATOM 1520 N ASP X 91 97.037 2.291 -4.873 1.00 1.00 N ATOM 1521 CA ASP X 91 98.428 2.581 -4.542 1.00 1.00 C ATOM 1522 C ASP X 91 99.310 2.487 -5.781 1.00 1.00 C ATOM 1523 O ASP X 91 100.041 3.422 -6.104 1.00 1.00 O ATOM 1524 CB ASP X 91 98.933 1.588 -3.490 1.00 1.00 C ATOM 1525 CG ASP X 91 100.324 1.993 -3.014 1.00 1.00 C ATOM 1526 OD1 ASP X 91 100.864 2.941 -3.559 1.00 1.00 O ATOM 1527 OD2 ASP X 91 100.824 1.354 -2.103 1.00 1.00 O ATOM 0 H ASP X 91 96.629 1.512 -4.357 1.00 1.00 H new ATOM 0 HA ASP X 91 98.478 3.596 -4.147 1.00 1.00 H new ATOM 0 HB2 ASP X 91 98.245 1.560 -2.645 1.00 1.00 H new ATOM 0 HB3 ASP X 91 98.962 0.583 -3.911 1.00 1.00 H new ATOM 1532 N LYS X 92 99.238 1.356 -6.473 1.00 1.00 N ATOM 1533 CA LYS X 92 100.041 1.161 -7.675 1.00 1.00 C ATOM 1534 C LYS X 92 99.592 2.107 -8.784 1.00 1.00 C ATOM 1535 O LYS X 92 100.415 2.681 -9.497 1.00 1.00 O ATOM 1536 CB LYS X 92 99.929 -0.286 -8.157 1.00 1.00 C ATOM 1537 CG LYS X 92 100.484 -1.222 -7.080 1.00 1.00 C ATOM 1538 CD LYS X 92 100.425 -2.670 -7.571 1.00 1.00 C ATOM 1539 CE LYS X 92 100.787 -3.613 -6.422 1.00 1.00 C ATOM 1540 NZ LYS X 92 101.331 -4.887 -6.974 1.00 1.00 N ATOM 0 H LYS X 92 98.639 0.568 -6.227 1.00 1.00 H new ATOM 0 HA LYS X 92 101.080 1.379 -7.428 1.00 1.00 H new ATOM 0 HB2 LYS X 92 98.888 -0.532 -8.368 1.00 1.00 H new ATOM 0 HB3 LYS X 92 100.482 -0.415 -9.088 1.00 1.00 H new ATOM 0 HG2 LYS X 92 101.513 -0.950 -6.844 1.00 1.00 H new ATOM 0 HG3 LYS X 92 99.907 -1.116 -6.161 1.00 1.00 H new ATOM 0 HD2 LYS X 92 99.426 -2.899 -7.943 1.00 1.00 H new ATOM 0 HD3 LYS X 92 101.115 -2.812 -8.403 1.00 1.00 H new ATOM 0 HE2 LYS X 92 101.524 -3.143 -5.771 1.00 1.00 H new ATOM 0 HE3 LYS X 92 99.906 -3.815 -5.813 1.00 1.00 H new ATOM 0 HZ1 LYS X 92 101.577 -5.527 -6.192 1.00 1.00 H new ATOM 0 HZ2 LYS X 92 100.614 -5.338 -7.578 1.00 1.00 H new ATOM 0 HZ3 LYS X 92 102.182 -4.686 -7.537 1.00 1.00 H new ATOM 1554 N LYS X 93 98.275 2.249 -8.930 1.00 1.00 N ATOM 1555 CA LYS X 93 97.714 3.110 -9.965 1.00 1.00 C ATOM 1556 C LYS X 93 96.990 4.290 -9.331 1.00 1.00 C ATOM 1557 O LYS X 93 96.026 4.120 -8.584 1.00 1.00 O ATOM 1558 CB LYS X 93 96.729 2.320 -10.829 1.00 1.00 C ATOM 1559 CG LYS X 93 97.262 0.902 -11.093 1.00 1.00 C ATOM 1560 CD LYS X 93 98.558 0.972 -11.905 1.00 1.00 C ATOM 1561 CE LYS X 93 99.059 -0.443 -12.200 1.00 1.00 C ATOM 1562 NZ LYS X 93 100.291 -0.361 -13.034 1.00 1.00 N ATOM 0 H LYS X 93 97.581 1.781 -8.347 1.00 1.00 H new ATOM 0 HA LYS X 93 98.529 3.478 -10.588 1.00 1.00 H new ATOM 0 HB2 LYS X 93 95.762 2.264 -10.330 1.00 1.00 H new ATOM 0 HB3 LYS X 93 96.570 2.837 -11.775 1.00 1.00 H new ATOM 0 HG2 LYS X 93 97.443 0.391 -10.147 1.00 1.00 H new ATOM 0 HG3 LYS X 93 96.516 0.319 -11.633 1.00 1.00 H new ATOM 0 HD2 LYS X 93 98.385 1.509 -12.838 1.00 1.00 H new ATOM 0 HD3 LYS X 93 99.315 1.528 -11.352 1.00 1.00 H new ATOM 0 HE2 LYS X 93 99.270 -0.969 -11.269 1.00 1.00 H new ATOM 0 HE3 LYS X 93 98.290 -1.013 -12.721 1.00 1.00 H new ATOM 0 HZ1 LYS X 93 100.637 -1.320 -13.238 1.00 1.00 H new ATOM 0 HZ2 LYS X 93 100.074 0.126 -13.927 1.00 1.00 H new ATOM 0 HZ3 LYS X 93 101.024 0.169 -12.520 1.00 1.00 H new ATOM 1576 N GLU X 94 97.471 5.481 -9.642 1.00 1.00 N ATOM 1577 CA GLU X 94 96.883 6.702 -9.110 1.00 1.00 C ATOM 1578 C GLU X 94 96.000 7.371 -10.154 1.00 1.00 C ATOM 1579 O GLU X 94 95.340 8.371 -9.868 1.00 1.00 O ATOM 1580 CB GLU X 94 97.987 7.670 -8.679 1.00 1.00 C ATOM 1581 CG GLU X 94 98.716 7.105 -7.459 1.00 1.00 C ATOM 1582 CD GLU X 94 99.921 7.976 -7.122 1.00 1.00 C ATOM 1583 OE1 GLU X 94 100.201 8.886 -7.886 1.00 1.00 O ATOM 1584 OE2 GLU X 94 100.549 7.717 -6.109 1.00 1.00 O ATOM 0 H GLU X 94 98.268 5.631 -10.261 1.00 1.00 H new ATOM 0 HA GLU X 94 96.271 6.440 -8.247 1.00 1.00 H new ATOM 0 HB2 GLU X 94 98.691 7.823 -9.497 1.00 1.00 H new ATOM 0 HB3 GLU X 94 97.559 8.644 -8.441 1.00 1.00 H new ATOM 0 HG2 GLU X 94 98.038 7.063 -6.607 1.00 1.00 H new ATOM 0 HG3 GLU X 94 99.040 6.084 -7.659 1.00 1.00 H new ATOM 1591 N VAL X 95 95.992 6.814 -11.363 1.00 1.00 N ATOM 1592 CA VAL X 95 95.181 7.373 -12.440 1.00 1.00 C ATOM 1593 C VAL X 95 94.206 6.319 -12.957 1.00 1.00 C ATOM 1594 O VAL X 95 94.601 5.192 -13.258 1.00 1.00 O ATOM 1595 CB VAL X 95 96.085 7.846 -13.584 1.00 1.00 C ATOM 1596 CG1 VAL X 95 95.229 8.304 -14.766 1.00 1.00 C ATOM 1597 CG2 VAL X 95 96.959 9.007 -13.102 1.00 1.00 C ATOM 0 H VAL X 95 96.531 5.987 -11.619 1.00 1.00 H new ATOM 0 HA VAL X 95 94.618 8.223 -12.054 1.00 1.00 H new ATOM 0 HB VAL X 95 96.722 7.021 -13.902 1.00 1.00 H new ATOM 0 HG11 VAL X 95 95.877 8.639 -15.576 1.00 1.00 H new ATOM 0 HG12 VAL X 95 94.614 7.474 -15.113 1.00 1.00 H new ATOM 0 HG13 VAL X 95 94.586 9.126 -14.452 1.00 1.00 H new ATOM 0 HG21 VAL X 95 97.601 9.342 -13.917 1.00 1.00 H new ATOM 0 HG22 VAL X 95 96.323 9.831 -12.779 1.00 1.00 H new ATOM 0 HG23 VAL X 95 97.576 8.676 -12.267 1.00 1.00 H new ATOM 1607 N ASN X 96 92.934 6.695 -13.052 1.00 1.00 N ATOM 1608 CA ASN X 96 91.904 5.779 -13.530 1.00 1.00 C ATOM 1609 C ASN X 96 91.200 6.360 -14.756 1.00 1.00 C ATOM 1610 O ASN X 96 90.152 6.997 -14.635 1.00 1.00 O ATOM 1611 CB ASN X 96 90.876 5.526 -12.426 1.00 1.00 C ATOM 1612 CG ASN X 96 89.595 4.964 -13.029 1.00 1.00 C ATOM 1613 OD1 ASN X 96 89.666 4.053 -13.962 1.00 1.00 O flip ATOM 1614 ND2 ASN X 96 88.499 5.365 -12.640 1.00 1.00 N flip ATOM 0 H ASN X 96 92.593 7.624 -12.805 1.00 1.00 H new ATOM 0 HA ASN X 96 92.380 4.838 -13.806 1.00 1.00 H new ATOM 0 HB2 ASN X 96 91.281 4.827 -11.694 1.00 1.00 H new ATOM 0 HB3 ASN X 96 90.662 6.454 -11.897 1.00 1.00 H new ATOM 0 HD21 ASN X 96 88.446 6.077 -11.911 1.00 1.00 H new ATOM 0 HD22 ASN X 96 87.644 4.986 -13.046 1.00 1.00 H new ATOM 1621 N PRO X 97 91.752 6.154 -15.925 1.00 1.00 N ATOM 1622 CA PRO X 97 91.163 6.666 -17.201 1.00 1.00 C ATOM 1623 C PRO X 97 89.751 6.136 -17.436 1.00 1.00 C ATOM 1624 O PRO X 97 89.433 5.004 -17.073 1.00 1.00 O ATOM 1625 CB PRO X 97 92.125 6.155 -18.284 1.00 1.00 C ATOM 1626 CG PRO X 97 93.398 5.849 -17.571 1.00 1.00 C ATOM 1627 CD PRO X 97 92.997 5.413 -16.167 1.00 1.00 C ATOM 0 HA PRO X 97 91.062 7.751 -17.195 1.00 1.00 H new ATOM 0 HB2 PRO X 97 91.727 5.267 -18.776 1.00 1.00 H new ATOM 0 HB3 PRO X 97 92.279 6.906 -19.058 1.00 1.00 H new ATOM 0 HG2 PRO X 97 93.952 5.061 -18.081 1.00 1.00 H new ATOM 0 HG3 PRO X 97 94.047 6.724 -17.538 1.00 1.00 H new ATOM 0 HD2 PRO X 97 92.841 4.336 -16.110 1.00 1.00 H new ATOM 0 HD3 PRO X 97 93.763 5.664 -15.434 1.00 1.00 H new ATOM 1635 N GLN X 98 88.908 6.968 -18.039 1.00 1.00 N ATOM 1636 CA GLN X 98 87.531 6.579 -18.315 1.00 1.00 C ATOM 1637 C GLN X 98 87.045 7.215 -19.612 1.00 1.00 C ATOM 1638 O GLN X 98 87.546 8.261 -20.027 1.00 1.00 O ATOM 1639 CB GLN X 98 86.628 7.010 -17.158 1.00 1.00 C ATOM 1640 CG GLN X 98 86.812 8.507 -16.899 1.00 1.00 C ATOM 1641 CD GLN X 98 85.951 8.941 -15.718 1.00 1.00 C ATOM 1642 OE1 GLN X 98 85.597 8.119 -14.872 1.00 1.00 O ATOM 1643 NE2 GLN X 98 85.592 10.190 -15.608 1.00 1.00 N ATOM 0 H GLN X 98 89.153 7.910 -18.344 1.00 1.00 H new ATOM 0 HA GLN X 98 87.491 5.495 -18.421 1.00 1.00 H new ATOM 0 HB2 GLN X 98 85.586 6.797 -17.397 1.00 1.00 H new ATOM 0 HB3 GLN X 98 86.872 6.442 -16.260 1.00 1.00 H new ATOM 0 HG2 GLN X 98 87.861 8.723 -16.694 1.00 1.00 H new ATOM 0 HG3 GLN X 98 86.537 9.075 -17.788 1.00 1.00 H new ATOM 0 HE21 GLN X 98 85.886 10.869 -16.310 1.00 1.00 H new ATOM 0 HE22 GLN X 98 85.017 10.488 -14.820 1.00 1.00 H new ATOM 1652 N VAL X 99 86.067 6.575 -20.249 1.00 1.00 N ATOM 1653 CA VAL X 99 85.517 7.081 -21.504 1.00 1.00 C ATOM 1654 C VAL X 99 84.006 7.250 -21.394 1.00 1.00 C ATOM 1655 O VAL X 99 83.308 6.376 -20.880 1.00 1.00 O ATOM 1656 CB VAL X 99 85.841 6.118 -22.645 1.00 1.00 C ATOM 1657 CG1 VAL X 99 85.084 6.548 -23.903 1.00 1.00 C ATOM 1658 CG2 VAL X 99 87.346 6.141 -22.919 1.00 1.00 C ATOM 0 H VAL X 99 85.641 5.709 -19.919 1.00 1.00 H new ATOM 0 HA VAL X 99 85.968 8.051 -21.711 1.00 1.00 H new ATOM 0 HB VAL X 99 85.539 5.108 -22.367 1.00 1.00 H new ATOM 0 HG11 VAL X 99 85.314 5.862 -24.718 1.00 1.00 H new ATOM 0 HG12 VAL X 99 84.012 6.531 -23.706 1.00 1.00 H new ATOM 0 HG13 VAL X 99 85.386 7.557 -24.182 1.00 1.00 H new ATOM 0 HG21 VAL X 99 87.578 5.454 -23.733 1.00 1.00 H new ATOM 0 HG22 VAL X 99 87.650 7.150 -23.198 1.00 1.00 H new ATOM 0 HG23 VAL X 99 87.884 5.835 -22.022 1.00 1.00 H new ATOM 1668 N MET X 100 83.508 8.381 -21.880 1.00 1.00 N ATOM 1669 CA MET X 100 82.077 8.658 -21.833 1.00 1.00 C ATOM 1670 C MET X 100 81.493 8.235 -20.489 1.00 1.00 C ATOM 1671 O MET X 100 80.859 7.193 -20.443 1.00 1.00 O ATOM 1672 CB MET X 100 81.363 7.907 -22.957 1.00 1.00 C ATOM 1673 CG MET X 100 81.803 8.469 -24.309 1.00 1.00 C ATOM 1674 SD MET X 100 81.018 7.524 -25.641 1.00 1.00 S ATOM 1675 CE MET X 100 79.315 8.072 -25.357 1.00 1.00 C ATOM 1676 OXT MET X 100 81.689 8.958 -19.526 1.00 1.00 O ATOM 0 H MET X 100 84.069 9.117 -22.309 1.00 1.00 H new ATOM 0 HA MET X 100 81.930 9.731 -21.960 1.00 1.00 H new ATOM 0 HB2 MET X 100 81.594 6.843 -22.901 1.00 1.00 H new ATOM 0 HB3 MET X 100 80.283 8.005 -22.845 1.00 1.00 H new ATOM 0 HG2 MET X 100 81.528 9.521 -24.384 1.00 1.00 H new ATOM 0 HG3 MET X 100 82.888 8.416 -24.401 1.00 1.00 H new ATOM 0 HE1 MET X 100 78.851 8.326 -26.310 1.00 1.00 H new ATOM 0 HE2 MET X 100 78.750 7.271 -24.880 1.00 1.00 H new ATOM 0 HE3 MET X 100 79.318 8.949 -24.709 1.00 1.00 H new TER 1686 MET X 100