USER MOD reduce.3.24.130724 H: found=0, std=0, add=958, rem=0, adj=34 USER MOD reduce.3.24.130724 removed 955 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 77 CYS SG : rot -147:sc= 1.45 USER MOD Set 1.2: A 100 TYR OH : rot 165:sc= 0 USER MOD Set 2.1: A 39 CYS SG : rot -43:sc= -2.33! USER MOD Set 2.2: A 63 ASN : amide:sc= -8.18! C(o=-11!,f=-9.4!) USER MOD Set 3.1: A 20 TYR OH : rot 35:sc= -1.84! USER MOD Set 3.2: A 43 HIS : no HD1:sc= 0.9 K(o=-0.94,f=-12!) USER MOD Set 4.1: A 22 HIS : no HE2:sc= -3.55! C(o=-4.8!,f=-13!) USER MOD Set 4.2: A 36 MET CE :methyl -164:sc= -1.22 (180deg=0) USER MOD Set 5.1: A 27 ASN : amide:sc= -4.2! K(o=-4.2!,f=-0.97) USER MOD Set 5.2: A 29 SER OG : rot 180:sc= 0 USER MOD Set 6.1: A 8 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 6.2: A 105 TYR OH : rot 180:sc= 0 USER MOD Single : A 1 GLY N :NH3+ -129:sc= 0.138 (180deg=0) USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 LYS NZ :NH3+ 148:sc= -0.0292 (180deg=-0.425) USER MOD Single : A 7 ASN : amide:sc= 0 X(o=0,f=-0.071) USER MOD Single : A 13 CYS SG : rot 11:sc= 1.71 USER MOD Single : A 16 MET CE :methyl -173:sc= -2.74! (180deg=-2.85!) USER MOD Single : A 17 THR OG1 : rot -5:sc= 0.0564 USER MOD Single : A 19 ASN : amide:sc= 0 K(o=0,f=0.76) USER MOD Single : A 26 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot -104:sc= 1.44 USER MOD Single : A 33 SER OG : rot -108:sc= 0.697 USER MOD Single : A 34 SER OG : rot 164:sc= -1.42 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 LYS NZ :NH3+ 145:sc= -0.249 (180deg=-0.286) USER MOD Single : A 62 HIS : no HD1:sc= -0.0411 X(o=-0.041,f=-0.0093) USER MOD Single : A 65 THR OG1 : rot 180:sc= -2.12! USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 70 THR OG1 : rot 91:sc= 1.18 USER MOD Single : A 73 LYS NZ :NH3+ 159:sc= -0.0334 (180deg=-0.31) USER MOD Single : A 79 GLN : amide:sc= 0 X(o=0,f=-0.21) USER MOD Single : A 86 MET CE :methyl -156:sc= -0.0361 (180deg=-0.0839) USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 CYS SG : rot 180:sc= -0.691 USER MOD Single : A 98 TYR OH : rot 180:sc= 0 USER MOD Single : A 99 THR OG1 : rot 96:sc= 1.09 USER MOD Single : A 102 GLN : amide:sc= -1.76! K(o=-1.8!,f=0) USER MOD Single : A 107 SER OG : rot -50:sc= 0.811 USER MOD Single : A 110 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 111 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 115 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 116 THR OG1 : rot -28:sc= 0.424 USER MOD Single : A 117 LYS NZ :NH3+ 150:sc= 0 (180deg=-0.0265) USER MOD Single : A 118 LYS NZ :NH3+ 159:sc= 0 (180deg=-0.00642) USER MOD Single : A 119 LYS NZ :NH3+ 165:sc= -0.0151 (180deg=-0.254) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 5.400 19.775 1.890 1.00 0.00 N ATOM 2 CA GLY A 1 4.948 20.826 2.848 1.00 0.00 C ATOM 3 C GLY A 1 6.140 21.309 3.667 1.00 0.00 C ATOM 4 O GLY A 1 7.286 20.981 3.366 1.00 0.00 O ATOM 0 H1 GLY A 1 5.070 20.013 0.933 1.00 0.00 H new ATOM 0 H2 GLY A 1 6.439 19.724 1.895 1.00 0.00 H new ATOM 0 H3 GLY A 1 5.007 18.855 2.173 1.00 0.00 H new ATOM 0 HA2 GLY A 1 4.502 21.660 2.306 1.00 0.00 H new ATOM 0 HA3 GLY A 1 4.178 20.426 3.507 1.00 0.00 H new ATOM 10 N PRO A 2 5.886 22.076 4.695 1.00 0.00 N ATOM 11 CA PRO A 2 6.962 22.601 5.574 1.00 0.00 C ATOM 12 C PRO A 2 7.579 21.472 6.389 1.00 0.00 C ATOM 13 O PRO A 2 8.753 21.512 6.751 1.00 0.00 O ATOM 14 CB PRO A 2 6.266 23.643 6.485 1.00 0.00 C ATOM 15 CG PRO A 2 4.805 23.664 6.098 1.00 0.00 C ATOM 16 CD PRO A 2 4.552 22.495 5.132 1.00 0.00 C ATOM 0 HA PRO A 2 7.779 23.050 5.009 1.00 0.00 H new ATOM 0 HB2 PRO A 2 6.383 23.376 7.535 1.00 0.00 H new ATOM 0 HB3 PRO A 2 6.713 24.628 6.355 1.00 0.00 H new ATOM 0 HG2 PRO A 2 4.175 23.570 6.983 1.00 0.00 H new ATOM 0 HG3 PRO A 2 4.550 24.612 5.624 1.00 0.00 H new ATOM 0 HD2 PRO A 2 4.024 21.680 5.627 1.00 0.00 H new ATOM 0 HD3 PRO A 2 3.938 22.806 4.287 1.00 0.00 H new ATOM 24 N LEU A 3 6.756 20.465 6.674 1.00 0.00 N ATOM 25 CA LEU A 3 7.185 19.306 7.451 1.00 0.00 C ATOM 26 C LEU A 3 7.414 18.104 6.539 1.00 0.00 C ATOM 27 O LEU A 3 8.535 17.610 6.419 1.00 0.00 O ATOM 28 CB LEU A 3 6.113 18.983 8.499 1.00 0.00 C ATOM 29 CG LEU A 3 6.005 20.152 9.499 1.00 0.00 C ATOM 30 CD1 LEU A 3 4.793 19.950 10.418 1.00 0.00 C ATOM 31 CD2 LEU A 3 7.293 20.250 10.347 1.00 0.00 C ATOM 0 H LEU A 3 5.781 20.430 6.375 1.00 0.00 H new ATOM 0 HA LEU A 3 8.127 19.534 7.950 1.00 0.00 H new ATOM 0 HB2 LEU A 3 5.152 18.816 8.013 1.00 0.00 H new ATOM 0 HB3 LEU A 3 6.368 18.063 9.025 1.00 0.00 H new ATOM 0 HG LEU A 3 5.878 21.079 8.939 1.00 0.00 H new ATOM 0 HD11 LEU A 3 4.726 20.781 11.120 1.00 0.00 H new ATOM 0 HD12 LEU A 3 3.884 19.908 9.818 1.00 0.00 H new ATOM 0 HD13 LEU A 3 4.906 19.017 10.970 1.00 0.00 H new ATOM 0 HD21 LEU A 3 7.204 21.079 11.049 1.00 0.00 H new ATOM 0 HD22 LEU A 3 7.437 19.321 10.899 1.00 0.00 H new ATOM 0 HD23 LEU A 3 8.148 20.419 9.692 1.00 0.00 H new ATOM 43 N GLY A 4 6.345 17.639 5.903 1.00 0.00 N ATOM 44 CA GLY A 4 6.444 16.491 5.007 1.00 0.00 C ATOM 45 C GLY A 4 6.692 15.213 5.803 1.00 0.00 C ATOM 46 O GLY A 4 7.412 14.320 5.359 1.00 0.00 O ATOM 0 H GLY A 4 5.408 18.034 5.989 1.00 0.00 H new ATOM 0 HA2 GLY A 4 5.526 16.394 4.428 1.00 0.00 H new ATOM 0 HA3 GLY A 4 7.255 16.646 4.295 1.00 0.00 H new ATOM 50 N SER A 5 6.091 15.141 6.985 1.00 0.00 N ATOM 51 CA SER A 5 6.249 13.975 7.842 1.00 0.00 C ATOM 52 C SER A 5 5.423 12.801 7.331 1.00 0.00 C ATOM 53 O SER A 5 5.957 11.736 7.032 1.00 0.00 O ATOM 54 CB SER A 5 5.815 14.319 9.266 1.00 0.00 C ATOM 55 OG SER A 5 6.745 15.233 9.831 1.00 0.00 O ATOM 0 H SER A 5 5.493 15.873 7.369 1.00 0.00 H new ATOM 0 HA SER A 5 7.300 13.687 7.833 1.00 0.00 H new ATOM 0 HB2 SER A 5 4.816 14.756 9.259 1.00 0.00 H new ATOM 0 HB3 SER A 5 5.763 13.414 9.871 1.00 0.00 H new ATOM 0 HG SER A 5 6.469 15.458 10.744 1.00 0.00 H new ATOM 61 N LYS A 6 4.112 13.007 7.235 1.00 0.00 N ATOM 62 CA LYS A 6 3.199 11.965 6.755 1.00 0.00 C ATOM 63 C LYS A 6 2.786 12.223 5.307 1.00 0.00 C ATOM 64 O LYS A 6 2.167 11.372 4.658 1.00 0.00 O ATOM 65 CB LYS A 6 1.962 11.933 7.651 1.00 0.00 C ATOM 66 CG LYS A 6 1.253 13.290 7.598 1.00 0.00 C ATOM 67 CD LYS A 6 0.031 13.264 8.522 1.00 0.00 C ATOM 68 CE LYS A 6 0.469 13.148 10.000 1.00 0.00 C ATOM 69 NZ LYS A 6 0.271 11.744 10.458 1.00 0.00 N ATOM 0 H LYS A 6 3.655 13.885 7.482 1.00 0.00 H new ATOM 0 HA LYS A 6 3.711 11.004 6.793 1.00 0.00 H new ATOM 0 HB2 LYS A 6 1.284 11.144 7.324 1.00 0.00 H new ATOM 0 HB3 LYS A 6 2.249 11.701 8.677 1.00 0.00 H new ATOM 0 HG2 LYS A 6 1.937 14.082 7.904 1.00 0.00 H new ATOM 0 HG3 LYS A 6 0.945 13.512 6.576 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -0.557 14.171 8.381 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -0.612 12.423 8.260 1.00 0.00 H new ATOM 0 HE2 LYS A 6 1.515 13.434 10.106 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -0.112 13.831 10.619 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 0.995 11.504 11.165 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -0.673 11.647 10.883 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 0.353 11.099 9.646 1.00 0.00 H new ATOM 83 N ASN A 7 3.139 13.397 4.803 1.00 0.00 N ATOM 84 CA ASN A 7 2.807 13.753 3.433 1.00 0.00 C ATOM 85 C ASN A 7 3.697 12.989 2.464 1.00 0.00 C ATOM 86 O ASN A 7 3.265 12.592 1.382 1.00 0.00 O ATOM 87 CB ASN A 7 2.967 15.266 3.224 1.00 0.00 C ATOM 88 CG ASN A 7 2.077 15.740 2.080 1.00 0.00 C ATOM 89 OD1 ASN A 7 2.443 15.608 0.913 1.00 0.00 O ATOM 90 ND2 ASN A 7 0.922 16.281 2.348 1.00 0.00 N ATOM 0 H ASN A 7 3.651 14.113 5.318 1.00 0.00 H new ATOM 0 HA ASN A 7 1.768 13.483 3.241 1.00 0.00 H new ATOM 0 HB2 ASN A 7 2.706 15.796 4.140 1.00 0.00 H new ATOM 0 HB3 ASN A 7 4.008 15.501 3.005 1.00 0.00 H new ATOM 0 HD21 ASN A 7 0.318 16.597 1.589 1.00 0.00 H new ATOM 0 HD22 ASN A 7 0.622 16.389 3.317 1.00 0.00 H new ATOM 97 N MET A 8 4.948 12.798 2.862 1.00 0.00 N ATOM 98 CA MET A 8 5.908 12.093 2.030 1.00 0.00 C ATOM 99 C MET A 8 5.319 10.768 1.564 1.00 0.00 C ATOM 100 O MET A 8 5.246 10.501 0.367 1.00 0.00 O ATOM 101 CB MET A 8 7.180 11.829 2.842 1.00 0.00 C ATOM 102 CG MET A 8 8.329 11.405 1.923 1.00 0.00 C ATOM 103 SD MET A 8 8.067 9.707 1.355 1.00 0.00 S ATOM 104 CE MET A 8 8.995 9.847 -0.190 1.00 0.00 C ATOM 0 H MET A 8 5.319 13.122 3.755 1.00 0.00 H new ATOM 0 HA MET A 8 6.146 12.703 1.158 1.00 0.00 H new ATOM 0 HB2 MET A 8 7.460 12.728 3.392 1.00 0.00 H new ATOM 0 HB3 MET A 8 6.991 11.050 3.580 1.00 0.00 H new ATOM 0 HG2 MET A 8 8.390 12.079 1.068 1.00 0.00 H new ATOM 0 HG3 MET A 8 9.278 11.478 2.455 1.00 0.00 H new ATOM 0 HE1 MET A 8 8.967 8.894 -0.719 1.00 0.00 H new ATOM 0 HE2 MET A 8 8.548 10.621 -0.814 1.00 0.00 H new ATOM 0 HE3 MET A 8 10.030 10.110 0.030 1.00 0.00 H new ATOM 114 N LEU A 9 4.888 9.952 2.517 1.00 0.00 N ATOM 115 CA LEU A 9 4.296 8.665 2.203 1.00 0.00 C ATOM 116 C LEU A 9 2.998 8.846 1.439 1.00 0.00 C ATOM 117 O LEU A 9 2.743 8.159 0.450 1.00 0.00 O ATOM 118 CB LEU A 9 4.002 7.929 3.501 1.00 0.00 C ATOM 119 CG LEU A 9 5.305 7.502 4.169 1.00 0.00 C ATOM 120 CD1 LEU A 9 5.010 7.038 5.596 1.00 0.00 C ATOM 121 CD2 LEU A 9 5.977 6.358 3.379 1.00 0.00 C ATOM 0 H LEU A 9 4.939 10.162 3.514 1.00 0.00 H new ATOM 0 HA LEU A 9 4.993 8.097 1.587 1.00 0.00 H new ATOM 0 HB2 LEU A 9 3.434 8.573 4.173 1.00 0.00 H new ATOM 0 HB3 LEU A 9 3.384 7.054 3.300 1.00 0.00 H new ATOM 0 HG LEU A 9 5.986 8.353 4.187 1.00 0.00 H new ATOM 0 HD11 LEU A 9 5.938 6.732 6.078 1.00 0.00 H new ATOM 0 HD12 LEU A 9 4.561 7.856 6.159 1.00 0.00 H new ATOM 0 HD13 LEU A 9 4.320 6.195 5.569 1.00 0.00 H new ATOM 0 HD21 LEU A 9 6.904 6.070 3.874 1.00 0.00 H new ATOM 0 HD22 LEU A 9 5.306 5.500 3.339 1.00 0.00 H new ATOM 0 HD23 LEU A 9 6.196 6.695 2.366 1.00 0.00 H new ATOM 133 N LEU A 10 2.173 9.771 1.918 1.00 0.00 N ATOM 134 CA LEU A 10 0.888 10.022 1.278 1.00 0.00 C ATOM 135 C LEU A 10 1.117 10.480 -0.160 1.00 0.00 C ATOM 136 O LEU A 10 0.476 9.994 -1.092 1.00 0.00 O ATOM 137 CB LEU A 10 0.123 11.094 2.067 1.00 0.00 C ATOM 138 CG LEU A 10 -1.391 11.011 1.766 1.00 0.00 C ATOM 139 CD1 LEU A 10 -2.044 9.935 2.649 1.00 0.00 C ATOM 140 CD2 LEU A 10 -2.054 12.373 2.047 1.00 0.00 C ATOM 0 H LEU A 10 2.367 10.351 2.734 1.00 0.00 H new ATOM 0 HA LEU A 10 0.297 9.106 1.266 1.00 0.00 H new ATOM 0 HB2 LEU A 10 0.295 10.960 3.135 1.00 0.00 H new ATOM 0 HB3 LEU A 10 0.498 12.083 1.805 1.00 0.00 H new ATOM 0 HG LEU A 10 -1.528 10.749 0.717 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -3.111 9.883 2.431 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -1.584 8.968 2.444 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -1.901 10.190 3.699 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -3.121 12.309 1.833 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -1.909 12.639 3.094 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -1.602 13.136 1.413 1.00 0.00 H new ATOM 152 N GLU A 11 2.049 11.407 -0.326 1.00 0.00 N ATOM 153 CA GLU A 11 2.388 11.931 -1.645 1.00 0.00 C ATOM 154 C GLU A 11 2.862 10.802 -2.543 1.00 0.00 C ATOM 155 O GLU A 11 2.364 10.580 -3.647 1.00 0.00 O ATOM 156 CB GLU A 11 3.535 12.917 -1.478 1.00 0.00 C ATOM 157 CG GLU A 11 3.822 13.617 -2.801 1.00 0.00 C ATOM 158 CD GLU A 11 4.964 14.612 -2.620 1.00 0.00 C ATOM 159 OE1 GLU A 11 5.282 14.922 -1.483 1.00 0.00 O ATOM 160 OE2 GLU A 11 5.506 15.049 -3.622 1.00 0.00 O ATOM 0 H GLU A 11 2.587 11.815 0.439 1.00 0.00 H new ATOM 0 HA GLU A 11 1.514 12.408 -2.088 1.00 0.00 H new ATOM 0 HB2 GLU A 11 3.283 13.654 -0.715 1.00 0.00 H new ATOM 0 HB3 GLU A 11 4.427 12.394 -1.134 1.00 0.00 H new ATOM 0 HG2 GLU A 11 4.084 12.883 -3.563 1.00 0.00 H new ATOM 0 HG3 GLU A 11 2.929 14.134 -3.151 1.00 0.00 H new ATOM 167 N TRP A 12 3.840 10.108 -2.010 1.00 0.00 N ATOM 168 CA TRP A 12 4.481 8.973 -2.648 1.00 0.00 C ATOM 169 C TRP A 12 3.449 7.916 -3.058 1.00 0.00 C ATOM 170 O TRP A 12 3.286 7.621 -4.243 1.00 0.00 O ATOM 171 CB TRP A 12 5.442 8.459 -1.586 1.00 0.00 C ATOM 172 CG TRP A 12 6.204 7.256 -1.991 1.00 0.00 C ATOM 173 CD1 TRP A 12 7.321 7.248 -2.743 1.00 0.00 C ATOM 174 CD2 TRP A 12 5.962 5.894 -1.588 1.00 0.00 C ATOM 175 NE1 TRP A 12 7.777 5.945 -2.838 1.00 0.00 N ATOM 176 CE2 TRP A 12 6.963 5.071 -2.140 1.00 0.00 C ATOM 177 CE3 TRP A 12 4.963 5.306 -0.805 1.00 0.00 C ATOM 178 CZ2 TRP A 12 6.976 3.696 -1.915 1.00 0.00 C ATOM 179 CZ3 TRP A 12 4.966 3.924 -0.575 1.00 0.00 C ATOM 180 CH2 TRP A 12 5.974 3.118 -1.128 1.00 0.00 C ATOM 0 H TRP A 12 4.227 10.322 -1.091 1.00 0.00 H new ATOM 0 HA TRP A 12 4.995 9.234 -3.573 1.00 0.00 H new ATOM 0 HB2 TRP A 12 6.145 9.253 -1.333 1.00 0.00 H new ATOM 0 HB3 TRP A 12 4.879 8.231 -0.681 1.00 0.00 H new ATOM 0 HD1 TRP A 12 7.783 8.113 -3.196 1.00 0.00 H new ATOM 0 HE1 TRP A 12 8.609 5.664 -3.357 1.00 0.00 H new ATOM 0 HE3 TRP A 12 4.186 5.920 -0.376 1.00 0.00 H new ATOM 0 HZ2 TRP A 12 7.753 3.081 -2.345 1.00 0.00 H new ATOM 0 HZ3 TRP A 12 4.191 3.477 0.030 1.00 0.00 H new ATOM 0 HH2 TRP A 12 5.976 2.053 -0.946 1.00 0.00 H new ATOM 191 N CYS A 13 2.744 7.356 -2.079 1.00 0.00 N ATOM 192 CA CYS A 13 1.728 6.344 -2.358 1.00 0.00 C ATOM 193 C CYS A 13 0.748 6.842 -3.430 1.00 0.00 C ATOM 194 O CYS A 13 0.409 6.116 -4.365 1.00 0.00 O ATOM 195 CB CYS A 13 0.967 6.043 -1.055 1.00 0.00 C ATOM 196 SG CYS A 13 1.815 4.740 -0.132 1.00 0.00 S ATOM 0 H CYS A 13 2.856 7.584 -1.091 1.00 0.00 H new ATOM 0 HA CYS A 13 2.209 5.440 -2.732 1.00 0.00 H new ATOM 0 HB2 CYS A 13 0.899 6.945 -0.447 1.00 0.00 H new ATOM 0 HB3 CYS A 13 -0.053 5.734 -1.283 1.00 0.00 H new ATOM 0 HG CYS A 13 2.983 4.525 -0.660 1.00 0.00 H new ATOM 202 N ARG A 14 0.310 8.086 -3.275 1.00 0.00 N ATOM 203 CA ARG A 14 -0.627 8.689 -4.224 1.00 0.00 C ATOM 204 C ARG A 14 0.010 8.788 -5.601 1.00 0.00 C ATOM 205 O ARG A 14 -0.545 8.343 -6.603 1.00 0.00 O ATOM 206 CB ARG A 14 -0.990 10.095 -3.759 1.00 0.00 C ATOM 207 CG ARG A 14 -2.138 10.640 -4.611 1.00 0.00 C ATOM 208 CD ARG A 14 -2.477 12.062 -4.160 1.00 0.00 C ATOM 209 NE ARG A 14 -1.347 12.954 -4.396 1.00 0.00 N ATOM 210 CZ ARG A 14 -1.377 14.224 -4.001 1.00 0.00 C ATOM 211 NH1 ARG A 14 -2.039 15.109 -4.695 1.00 0.00 N ATOM 212 NH2 ARG A 14 -0.744 14.586 -2.918 1.00 0.00 N ATOM 0 H ARG A 14 0.585 8.697 -2.506 1.00 0.00 H new ATOM 0 HA ARG A 14 -1.519 8.064 -4.276 1.00 0.00 H new ATOM 0 HB2 ARG A 14 -1.281 10.077 -2.709 1.00 0.00 H new ATOM 0 HB3 ARG A 14 -0.122 10.750 -3.839 1.00 0.00 H new ATOM 0 HG2 ARG A 14 -1.856 10.638 -5.664 1.00 0.00 H new ATOM 0 HG3 ARG A 14 -3.013 9.998 -4.514 1.00 0.00 H new ATOM 0 HD2 ARG A 14 -3.352 12.423 -4.700 1.00 0.00 H new ATOM 0 HD3 ARG A 14 -2.734 12.063 -3.101 1.00 0.00 H new ATOM 0 HE ARG A 14 -0.519 12.597 -4.873 1.00 0.00 H new ATOM 0 HH11 ARG A 14 -2.534 14.827 -5.541 1.00 0.00 H new ATOM 0 HH12 ARG A 14 -2.061 16.082 -4.391 1.00 0.00 H new ATOM 0 HH21 ARG A 14 -0.226 13.895 -2.375 1.00 0.00 H new ATOM 0 HH22 ARG A 14 -0.767 15.560 -2.615 1.00 0.00 H new ATOM 226 N ALA A 15 1.188 9.380 -5.629 1.00 0.00 N ATOM 227 CA ALA A 15 1.926 9.556 -6.876 1.00 0.00 C ATOM 228 C ALA A 15 1.898 8.283 -7.717 1.00 0.00 C ATOM 229 O ALA A 15 2.214 8.305 -8.906 1.00 0.00 O ATOM 230 CB ALA A 15 3.374 9.938 -6.572 1.00 0.00 C ATOM 0 H ALA A 15 1.660 9.750 -4.804 1.00 0.00 H new ATOM 0 HA ALA A 15 1.447 10.353 -7.444 1.00 0.00 H new ATOM 0 HB1 ALA A 15 3.920 10.068 -7.506 1.00 0.00 H new ATOM 0 HB2 ALA A 15 3.394 10.870 -6.008 1.00 0.00 H new ATOM 0 HB3 ALA A 15 3.843 9.149 -5.985 1.00 0.00 H new ATOM 236 N MET A 16 1.531 7.172 -7.087 1.00 0.00 N ATOM 237 CA MET A 16 1.478 5.882 -7.775 1.00 0.00 C ATOM 238 C MET A 16 0.027 5.492 -8.084 1.00 0.00 C ATOM 239 O MET A 16 -0.232 4.674 -8.967 1.00 0.00 O ATOM 240 CB MET A 16 2.145 4.814 -6.898 1.00 0.00 C ATOM 241 CG MET A 16 3.672 4.938 -7.002 1.00 0.00 C ATOM 242 SD MET A 16 4.172 6.653 -6.674 1.00 0.00 S ATOM 243 CE MET A 16 5.289 6.330 -5.293 1.00 0.00 C ATOM 0 H MET A 16 1.266 7.136 -6.103 1.00 0.00 H new ATOM 0 HA MET A 16 2.013 5.959 -8.722 1.00 0.00 H new ATOM 0 HB2 MET A 16 1.831 4.933 -5.861 1.00 0.00 H new ATOM 0 HB3 MET A 16 1.829 3.820 -7.215 1.00 0.00 H new ATOM 0 HG2 MET A 16 4.150 4.267 -6.288 1.00 0.00 H new ATOM 0 HG3 MET A 16 4.004 4.636 -7.995 1.00 0.00 H new ATOM 0 HE1 MET A 16 5.613 7.276 -4.858 1.00 0.00 H new ATOM 0 HE2 MET A 16 4.771 5.741 -4.536 1.00 0.00 H new ATOM 0 HE3 MET A 16 6.158 5.778 -5.650 1.00 0.00 H new ATOM 253 N THR A 17 -0.907 6.090 -7.350 1.00 0.00 N ATOM 254 CA THR A 17 -2.331 5.813 -7.543 1.00 0.00 C ATOM 255 C THR A 17 -2.821 6.352 -8.882 1.00 0.00 C ATOM 256 O THR A 17 -3.917 6.032 -9.318 1.00 0.00 O ATOM 257 CB THR A 17 -3.153 6.452 -6.422 1.00 0.00 C ATOM 258 OG1 THR A 17 -2.785 7.816 -6.281 1.00 0.00 O ATOM 259 CG2 THR A 17 -2.899 5.715 -5.113 1.00 0.00 C ATOM 0 H THR A 17 -0.706 6.769 -6.616 1.00 0.00 H new ATOM 0 HA THR A 17 -2.460 4.731 -7.527 1.00 0.00 H new ATOM 0 HB THR A 17 -4.212 6.387 -6.670 1.00 0.00 H new ATOM 0 HG1 THR A 17 -2.031 8.014 -6.874 1.00 0.00 H new ATOM 0 HG21 THR A 17 -3.486 6.173 -4.317 1.00 0.00 H new ATOM 0 HG22 THR A 17 -3.189 4.670 -5.222 1.00 0.00 H new ATOM 0 HG23 THR A 17 -1.840 5.774 -4.862 1.00 0.00 H new ATOM 267 N ARG A 18 -1.998 7.156 -9.533 1.00 0.00 N ATOM 268 CA ARG A 18 -2.352 7.718 -10.828 1.00 0.00 C ATOM 269 C ARG A 18 -2.508 6.588 -11.849 1.00 0.00 C ATOM 270 O ARG A 18 -3.374 6.619 -12.723 1.00 0.00 O ATOM 271 CB ARG A 18 -1.230 8.668 -11.258 1.00 0.00 C ATOM 272 CG ARG A 18 0.017 7.852 -11.614 1.00 0.00 C ATOM 273 CD ARG A 18 1.202 8.777 -11.837 1.00 0.00 C ATOM 274 NE ARG A 18 2.346 7.989 -12.284 1.00 0.00 N ATOM 275 CZ ARG A 18 3.189 7.444 -11.417 1.00 0.00 C ATOM 276 NH1 ARG A 18 2.930 6.274 -10.898 1.00 0.00 N ATOM 277 NH2 ARG A 18 4.271 8.085 -11.081 1.00 0.00 N ATOM 0 H ARG A 18 -1.080 7.435 -9.187 1.00 0.00 H new ATOM 0 HA ARG A 18 -3.295 8.262 -10.766 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -1.548 9.260 -12.116 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -1.003 9.368 -10.454 1.00 0.00 H new ATOM 0 HG2 ARG A 18 0.241 7.148 -10.812 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -0.169 7.263 -12.512 1.00 0.00 H new ATOM 0 HD2 ARG A 18 0.953 9.534 -12.581 1.00 0.00 H new ATOM 0 HD3 ARG A 18 1.446 9.304 -10.915 1.00 0.00 H new ATOM 0 HE ARG A 18 2.500 7.855 -13.283 1.00 0.00 H new ATOM 0 HH11 ARG A 18 2.078 5.777 -11.159 1.00 0.00 H new ATOM 0 HH12 ARG A 18 3.580 5.857 -10.231 1.00 0.00 H new ATOM 0 HH21 ARG A 18 4.467 9.001 -11.484 1.00 0.00 H new ATOM 0 HH22 ARG A 18 4.923 7.671 -10.415 1.00 0.00 H new ATOM 291 N ASN A 19 -1.630 5.601 -11.708 1.00 0.00 N ATOM 292 CA ASN A 19 -1.618 4.439 -12.588 1.00 0.00 C ATOM 293 C ASN A 19 -2.878 3.617 -12.381 1.00 0.00 C ATOM 294 O ASN A 19 -3.426 3.038 -13.320 1.00 0.00 O ATOM 295 CB ASN A 19 -0.392 3.569 -12.296 1.00 0.00 C ATOM 296 CG ASN A 19 -0.430 2.308 -13.156 1.00 0.00 C ATOM 297 OD1 ASN A 19 -0.535 1.200 -12.630 1.00 0.00 O ATOM 298 ND2 ASN A 19 -0.357 2.411 -14.455 1.00 0.00 N ATOM 0 H ASN A 19 -0.911 5.584 -10.985 1.00 0.00 H new ATOM 0 HA ASN A 19 -1.577 4.785 -13.621 1.00 0.00 H new ATOM 0 HB2 ASN A 19 0.520 4.131 -12.500 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -0.371 3.299 -11.240 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -0.387 1.573 -15.036 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -0.270 3.330 -14.890 1.00 0.00 H new ATOM 305 N TYR A 20 -3.317 3.563 -11.129 1.00 0.00 N ATOM 306 CA TYR A 20 -4.503 2.802 -10.756 1.00 0.00 C ATOM 307 C TYR A 20 -5.720 3.719 -10.646 1.00 0.00 C ATOM 308 O TYR A 20 -5.590 4.905 -10.367 1.00 0.00 O ATOM 309 CB TYR A 20 -4.248 2.130 -9.410 1.00 0.00 C ATOM 310 CG TYR A 20 -2.986 1.307 -9.495 1.00 0.00 C ATOM 311 CD1 TYR A 20 -3.034 0.001 -9.987 1.00 0.00 C ATOM 312 CD2 TYR A 20 -1.767 1.859 -9.089 1.00 0.00 C ATOM 313 CE1 TYR A 20 -1.866 -0.762 -10.071 1.00 0.00 C ATOM 314 CE2 TYR A 20 -0.596 1.100 -9.172 1.00 0.00 C ATOM 315 CZ TYR A 20 -0.642 -0.212 -9.663 1.00 0.00 C ATOM 316 OH TYR A 20 0.514 -0.965 -9.737 1.00 0.00 O ATOM 0 H TYR A 20 -2.865 4.041 -10.350 1.00 0.00 H new ATOM 0 HA TYR A 20 -4.705 2.054 -11.522 1.00 0.00 H new ATOM 0 HB2 TYR A 20 -4.153 2.882 -8.627 1.00 0.00 H new ATOM 0 HB3 TYR A 20 -5.092 1.495 -9.142 1.00 0.00 H new ATOM 0 HD1 TYR A 20 -3.977 -0.421 -10.304 1.00 0.00 H new ATOM 0 HD2 TYR A 20 -1.730 2.870 -8.712 1.00 0.00 H new ATOM 0 HE1 TYR A 20 -1.906 -1.773 -10.449 1.00 0.00 H new ATOM 0 HE2 TYR A 20 0.346 1.525 -8.857 1.00 0.00 H new ATOM 0 HH TYR A 20 0.478 -1.543 -10.527 1.00 0.00 H new ATOM 326 N GLU A 21 -6.906 3.165 -10.886 1.00 0.00 N ATOM 327 CA GLU A 21 -8.143 3.948 -10.823 1.00 0.00 C ATOM 328 C GLU A 21 -9.061 3.424 -9.730 1.00 0.00 C ATOM 329 O GLU A 21 -8.756 2.425 -9.078 1.00 0.00 O ATOM 330 CB GLU A 21 -8.868 3.870 -12.163 1.00 0.00 C ATOM 331 CG GLU A 21 -9.086 2.403 -12.536 1.00 0.00 C ATOM 332 CD GLU A 21 -9.732 2.314 -13.913 1.00 0.00 C ATOM 333 OE1 GLU A 21 -9.064 2.644 -14.880 1.00 0.00 O ATOM 334 OE2 GLU A 21 -10.883 1.921 -13.980 1.00 0.00 O ATOM 0 H GLU A 21 -7.039 2.182 -11.125 1.00 0.00 H new ATOM 0 HA GLU A 21 -7.882 4.982 -10.598 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -9.825 4.388 -12.102 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -8.284 4.370 -12.935 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -8.134 1.872 -12.535 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -9.721 1.919 -11.794 1.00 0.00 H new ATOM 341 N HIS A 22 -10.185 4.110 -9.527 1.00 0.00 N ATOM 342 CA HIS A 22 -11.134 3.703 -8.496 1.00 0.00 C ATOM 343 C HIS A 22 -10.426 3.732 -7.135 1.00 0.00 C ATOM 344 O HIS A 22 -10.954 3.280 -6.117 1.00 0.00 O ATOM 345 CB HIS A 22 -11.701 2.293 -8.846 1.00 0.00 C ATOM 346 CG HIS A 22 -11.807 1.426 -7.621 1.00 0.00 C ATOM 347 ND1 HIS A 22 -12.919 1.441 -6.796 1.00 0.00 N ATOM 348 CD2 HIS A 22 -10.925 0.549 -7.049 1.00 0.00 C ATOM 349 CE1 HIS A 22 -12.672 0.595 -5.779 1.00 0.00 C ATOM 350 NE2 HIS A 22 -11.472 0.029 -5.888 1.00 0.00 N ATOM 0 H HIS A 22 -10.457 4.939 -10.056 1.00 0.00 H new ATOM 0 HA HIS A 22 -11.980 4.389 -8.446 1.00 0.00 H new ATOM 0 HB2 HIS A 22 -12.684 2.398 -9.306 1.00 0.00 H new ATOM 0 HB3 HIS A 22 -11.055 1.811 -9.580 1.00 0.00 H new ATOM 0 HD1 HIS A 22 -13.767 1.991 -6.933 1.00 0.00 H new ATOM 0 HD2 HIS A 22 -9.951 0.301 -7.443 1.00 0.00 H new ATOM 0 HE1 HIS A 22 -13.363 0.399 -4.973 1.00 0.00 H new ATOM 358 N VAL A 23 -9.224 4.289 -7.134 1.00 0.00 N ATOM 359 CA VAL A 23 -8.421 4.397 -5.920 1.00 0.00 C ATOM 360 C VAL A 23 -8.079 5.858 -5.651 1.00 0.00 C ATOM 361 O VAL A 23 -7.626 6.574 -6.542 1.00 0.00 O ATOM 362 CB VAL A 23 -7.138 3.578 -6.104 1.00 0.00 C ATOM 363 CG1 VAL A 23 -6.160 3.854 -4.967 1.00 0.00 C ATOM 364 CG2 VAL A 23 -7.486 2.087 -6.138 1.00 0.00 C ATOM 0 H VAL A 23 -8.779 4.677 -7.966 1.00 0.00 H new ATOM 0 HA VAL A 23 -8.982 4.012 -5.068 1.00 0.00 H new ATOM 0 HB VAL A 23 -6.667 3.866 -7.044 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -5.255 3.264 -5.114 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -5.905 4.914 -4.956 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -6.620 3.582 -4.017 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -6.575 1.504 -6.269 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -7.967 1.804 -5.202 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -8.165 1.891 -6.968 1.00 0.00 H new ATOM 374 N ASP A 24 -8.293 6.289 -4.412 1.00 0.00 N ATOM 375 CA ASP A 24 -8.002 7.666 -4.012 1.00 0.00 C ATOM 376 C ASP A 24 -7.521 7.688 -2.568 1.00 0.00 C ATOM 377 O ASP A 24 -8.304 7.485 -1.639 1.00 0.00 O ATOM 378 CB ASP A 24 -9.254 8.534 -4.152 1.00 0.00 C ATOM 379 CG ASP A 24 -10.381 7.963 -3.300 1.00 0.00 C ATOM 380 OD1 ASP A 24 -10.239 6.844 -2.837 1.00 0.00 O ATOM 381 OD2 ASP A 24 -11.373 8.652 -3.125 1.00 0.00 O ATOM 0 H ASP A 24 -8.668 5.705 -3.664 1.00 0.00 H new ATOM 0 HA ASP A 24 -7.223 8.065 -4.661 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -9.035 9.556 -3.842 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -9.562 8.577 -5.197 1.00 0.00 H new ATOM 386 N ILE A 25 -6.222 7.899 -2.384 1.00 0.00 N ATOM 387 CA ILE A 25 -5.636 7.904 -1.044 1.00 0.00 C ATOM 388 C ILE A 25 -5.746 9.266 -0.356 1.00 0.00 C ATOM 389 O ILE A 25 -4.855 10.111 -0.449 1.00 0.00 O ATOM 390 CB ILE A 25 -4.179 7.441 -1.132 1.00 0.00 C ATOM 391 CG1 ILE A 25 -4.171 5.977 -1.595 1.00 0.00 C ATOM 392 CG2 ILE A 25 -3.507 7.549 0.238 1.00 0.00 C ATOM 393 CD1 ILE A 25 -2.742 5.510 -1.892 1.00 0.00 C ATOM 0 H ILE A 25 -5.557 8.068 -3.139 1.00 0.00 H new ATOM 0 HA ILE A 25 -6.204 7.211 -0.423 1.00 0.00 H new ATOM 0 HB ILE A 25 -3.631 8.068 -1.836 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -4.613 5.345 -0.825 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -4.787 5.869 -2.488 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -2.472 7.217 0.163 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -3.532 8.585 0.575 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -4.038 6.922 0.954 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -2.759 4.470 -2.218 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -2.313 6.130 -2.679 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -2.136 5.597 -0.990 1.00 0.00 H new ATOM 405 N GLN A 26 -6.857 9.440 0.364 1.00 0.00 N ATOM 406 CA GLN A 26 -7.120 10.666 1.125 1.00 0.00 C ATOM 407 C GLN A 26 -6.799 10.416 2.592 1.00 0.00 C ATOM 408 O GLN A 26 -6.700 11.341 3.398 1.00 0.00 O ATOM 409 CB GLN A 26 -8.586 11.081 0.982 1.00 0.00 C ATOM 410 CG GLN A 26 -8.839 11.581 -0.440 1.00 0.00 C ATOM 411 CD GLN A 26 -10.314 11.928 -0.613 1.00 0.00 C ATOM 412 OE1 GLN A 26 -11.171 11.048 -0.549 1.00 0.00 O ATOM 413 NE2 GLN A 26 -10.662 13.168 -0.827 1.00 0.00 N ATOM 0 H GLN A 26 -7.596 8.741 0.437 1.00 0.00 H new ATOM 0 HA GLN A 26 -6.494 11.470 0.738 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -9.237 10.235 1.203 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -8.825 11.864 1.702 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -8.224 12.458 -0.641 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -8.549 10.816 -1.161 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -9.949 13.896 -0.880 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -11.647 13.409 -0.942 1.00 0.00 H new ATOM 422 N ASN A 27 -6.631 9.142 2.912 1.00 0.00 N ATOM 423 CA ASN A 27 -6.301 8.717 4.262 1.00 0.00 C ATOM 424 C ASN A 27 -5.648 7.351 4.187 1.00 0.00 C ATOM 425 O ASN A 27 -5.534 6.774 3.106 1.00 0.00 O ATOM 426 CB ASN A 27 -7.561 8.651 5.136 1.00 0.00 C ATOM 427 CG ASN A 27 -7.176 8.635 6.616 1.00 0.00 C ATOM 428 OD1 ASN A 27 -6.571 9.588 7.112 1.00 0.00 O ATOM 429 ND2 ASN A 27 -7.489 7.604 7.355 1.00 0.00 N ATOM 0 H ASN A 27 -6.719 8.376 2.244 1.00 0.00 H new ATOM 0 HA ASN A 27 -5.619 9.437 4.714 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -8.202 9.508 4.929 1.00 0.00 H new ATOM 0 HB3 ASN A 27 -8.135 7.757 4.892 1.00 0.00 H new ATOM 0 HD21 ASN A 27 -7.233 7.588 8.342 1.00 0.00 H new ATOM 0 HD22 ASN A 27 -7.990 6.816 6.945 1.00 0.00 H new ATOM 436 N PHE A 28 -5.211 6.832 5.322 1.00 0.00 N ATOM 437 CA PHE A 28 -4.564 5.525 5.349 1.00 0.00 C ATOM 438 C PHE A 28 -5.552 4.453 5.792 1.00 0.00 C ATOM 439 O PHE A 28 -5.235 3.263 5.799 1.00 0.00 O ATOM 440 CB PHE A 28 -3.385 5.569 6.319 1.00 0.00 C ATOM 441 CG PHE A 28 -2.261 6.371 5.702 1.00 0.00 C ATOM 442 CD1 PHE A 28 -1.450 5.794 4.721 1.00 0.00 C ATOM 443 CD2 PHE A 28 -2.039 7.694 6.106 1.00 0.00 C ATOM 444 CE1 PHE A 28 -0.416 6.537 4.142 1.00 0.00 C ATOM 445 CE2 PHE A 28 -1.003 8.437 5.527 1.00 0.00 C ATOM 446 CZ PHE A 28 -0.193 7.860 4.545 1.00 0.00 C ATOM 0 H PHE A 28 -5.290 7.288 6.231 1.00 0.00 H new ATOM 0 HA PHE A 28 -4.211 5.281 4.347 1.00 0.00 H new ATOM 0 HB2 PHE A 28 -3.692 6.019 7.263 1.00 0.00 H new ATOM 0 HB3 PHE A 28 -3.045 4.558 6.543 1.00 0.00 H new ATOM 0 HD1 PHE A 28 -1.622 4.774 4.410 1.00 0.00 H new ATOM 0 HD2 PHE A 28 -2.666 8.140 6.863 1.00 0.00 H new ATOM 0 HE1 PHE A 28 0.211 6.091 3.384 1.00 0.00 H new ATOM 0 HE2 PHE A 28 -0.830 9.456 5.839 1.00 0.00 H new ATOM 0 HZ PHE A 28 0.605 8.434 4.097 1.00 0.00 H new ATOM 456 N SER A 29 -6.738 4.895 6.195 1.00 0.00 N ATOM 457 CA SER A 29 -7.777 3.986 6.692 1.00 0.00 C ATOM 458 C SER A 29 -8.894 3.744 5.679 1.00 0.00 C ATOM 459 O SER A 29 -9.018 2.651 5.123 1.00 0.00 O ATOM 460 CB SER A 29 -8.388 4.589 7.953 1.00 0.00 C ATOM 461 OG SER A 29 -7.350 4.897 8.873 1.00 0.00 O ATOM 0 H SER A 29 -7.009 5.878 6.189 1.00 0.00 H new ATOM 0 HA SER A 29 -7.301 3.025 6.889 1.00 0.00 H new ATOM 0 HB2 SER A 29 -8.949 5.490 7.705 1.00 0.00 H new ATOM 0 HB3 SER A 29 -9.092 3.888 8.402 1.00 0.00 H new ATOM 0 HG SER A 29 -7.737 5.286 9.685 1.00 0.00 H new ATOM 467 N SER A 30 -9.727 4.760 5.477 1.00 0.00 N ATOM 468 CA SER A 30 -10.865 4.646 4.573 1.00 0.00 C ATOM 469 C SER A 30 -10.452 4.257 3.163 1.00 0.00 C ATOM 470 O SER A 30 -11.090 3.416 2.531 1.00 0.00 O ATOM 471 CB SER A 30 -11.607 5.980 4.517 1.00 0.00 C ATOM 472 OG SER A 30 -12.024 6.344 5.826 1.00 0.00 O ATOM 0 H SER A 30 -9.635 5.671 5.927 1.00 0.00 H new ATOM 0 HA SER A 30 -11.508 3.857 4.964 1.00 0.00 H new ATOM 0 HB2 SER A 30 -10.959 6.752 4.102 1.00 0.00 H new ATOM 0 HB3 SER A 30 -12.471 5.901 3.857 1.00 0.00 H new ATOM 0 HG SER A 30 -12.499 7.201 5.792 1.00 0.00 H new ATOM 478 N SER A 31 -9.402 4.878 2.664 1.00 0.00 N ATOM 479 CA SER A 31 -8.941 4.590 1.316 1.00 0.00 C ATOM 480 C SER A 31 -8.266 3.227 1.245 1.00 0.00 C ATOM 481 O SER A 31 -7.764 2.827 0.195 1.00 0.00 O ATOM 482 CB SER A 31 -7.972 5.673 0.862 1.00 0.00 C ATOM 483 OG SER A 31 -8.657 6.918 0.811 1.00 0.00 O ATOM 0 H SER A 31 -8.855 5.579 3.164 1.00 0.00 H new ATOM 0 HA SER A 31 -9.807 4.574 0.654 1.00 0.00 H new ATOM 0 HB2 SER A 31 -7.129 5.736 1.550 1.00 0.00 H new ATOM 0 HB3 SER A 31 -7.566 5.427 -0.119 1.00 0.00 H new ATOM 0 HG SER A 31 -8.848 7.148 -0.122 1.00 0.00 H new ATOM 489 N TRP A 32 -8.247 2.516 2.372 1.00 0.00 N ATOM 490 CA TRP A 32 -7.619 1.196 2.441 1.00 0.00 C ATOM 491 C TRP A 32 -8.639 0.098 2.738 1.00 0.00 C ATOM 492 O TRP A 32 -8.324 -1.089 2.656 1.00 0.00 O ATOM 493 CB TRP A 32 -6.570 1.225 3.541 1.00 0.00 C ATOM 494 CG TRP A 32 -5.434 2.077 3.108 1.00 0.00 C ATOM 495 CD1 TRP A 32 -5.491 3.417 2.952 1.00 0.00 C ATOM 496 CD2 TRP A 32 -4.083 1.675 2.775 1.00 0.00 C ATOM 497 NE1 TRP A 32 -4.251 3.864 2.535 1.00 0.00 N ATOM 498 CE2 TRP A 32 -3.347 2.826 2.418 1.00 0.00 C ATOM 499 CE3 TRP A 32 -3.431 0.434 2.749 1.00 0.00 C ATOM 500 CZ2 TRP A 32 -2.008 2.747 2.050 1.00 0.00 C ATOM 501 CZ3 TRP A 32 -2.081 0.351 2.373 1.00 0.00 C ATOM 502 CH2 TRP A 32 -1.372 1.503 2.028 1.00 0.00 C ATOM 0 H TRP A 32 -8.659 2.832 3.250 1.00 0.00 H new ATOM 0 HA TRP A 32 -7.168 0.971 1.475 1.00 0.00 H new ATOM 0 HB2 TRP A 32 -7.002 1.615 4.462 1.00 0.00 H new ATOM 0 HB3 TRP A 32 -6.222 0.215 3.755 1.00 0.00 H new ATOM 0 HD1 TRP A 32 -6.359 4.036 3.124 1.00 0.00 H new ATOM 0 HE1 TRP A 32 -4.031 4.840 2.338 1.00 0.00 H new ATOM 0 HE3 TRP A 32 -3.970 -0.462 3.019 1.00 0.00 H new ATOM 0 HZ2 TRP A 32 -1.464 3.641 1.783 1.00 0.00 H new ATOM 0 HZ3 TRP A 32 -1.588 -0.610 2.351 1.00 0.00 H new ATOM 0 HH2 TRP A 32 -0.332 1.433 1.744 1.00 0.00 H new ATOM 513 N SER A 33 -9.853 0.493 3.104 1.00 0.00 N ATOM 514 CA SER A 33 -10.888 -0.474 3.431 1.00 0.00 C ATOM 515 C SER A 33 -11.227 -1.346 2.228 1.00 0.00 C ATOM 516 O SER A 33 -11.957 -2.327 2.357 1.00 0.00 O ATOM 517 CB SER A 33 -12.147 0.258 3.888 1.00 0.00 C ATOM 518 OG SER A 33 -11.789 1.288 4.800 1.00 0.00 O ATOM 0 H SER A 33 -10.141 1.468 3.181 1.00 0.00 H new ATOM 0 HA SER A 33 -10.513 -1.114 4.230 1.00 0.00 H new ATOM 0 HB2 SER A 33 -12.667 0.682 3.029 1.00 0.00 H new ATOM 0 HB3 SER A 33 -12.835 -0.441 4.363 1.00 0.00 H new ATOM 0 HG SER A 33 -12.068 1.035 5.705 1.00 0.00 H new ATOM 524 N SER A 34 -10.709 -0.988 1.055 1.00 0.00 N ATOM 525 CA SER A 34 -10.985 -1.753 -0.161 1.00 0.00 C ATOM 526 C SER A 34 -9.940 -2.843 -0.393 1.00 0.00 C ATOM 527 O SER A 34 -10.194 -3.812 -1.111 1.00 0.00 O ATOM 528 CB SER A 34 -10.997 -0.804 -1.368 1.00 0.00 C ATOM 529 OG SER A 34 -11.842 -1.344 -2.372 1.00 0.00 O ATOM 0 H SER A 34 -10.101 -0.180 0.920 1.00 0.00 H new ATOM 0 HA SER A 34 -11.956 -2.233 -0.041 1.00 0.00 H new ATOM 0 HB2 SER A 34 -11.351 0.182 -1.068 1.00 0.00 H new ATOM 0 HB3 SER A 34 -9.986 -0.675 -1.756 1.00 0.00 H new ATOM 0 HG SER A 34 -12.062 -0.647 -3.025 1.00 0.00 H new ATOM 535 N GLY A 35 -8.757 -2.662 0.179 1.00 0.00 N ATOM 536 CA GLY A 35 -7.679 -3.624 -0.023 1.00 0.00 C ATOM 537 C GLY A 35 -7.067 -3.399 -1.395 1.00 0.00 C ATOM 538 O GLY A 35 -5.972 -3.870 -1.696 1.00 0.00 O ATOM 0 H GLY A 35 -8.520 -1.871 0.778 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -6.921 -3.508 0.751 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -8.062 -4.641 0.056 1.00 0.00 H new ATOM 542 N MET A 36 -7.799 -2.652 -2.212 1.00 0.00 N ATOM 543 CA MET A 36 -7.380 -2.328 -3.562 1.00 0.00 C ATOM 544 C MET A 36 -6.073 -1.541 -3.528 1.00 0.00 C ATOM 545 O MET A 36 -5.285 -1.587 -4.471 1.00 0.00 O ATOM 546 CB MET A 36 -8.473 -1.492 -4.240 1.00 0.00 C ATOM 547 CG MET A 36 -9.822 -2.215 -4.126 1.00 0.00 C ATOM 548 SD MET A 36 -9.883 -3.609 -5.285 1.00 0.00 S ATOM 549 CE MET A 36 -11.070 -2.902 -6.456 1.00 0.00 C ATOM 0 H MET A 36 -8.702 -2.255 -1.952 1.00 0.00 H new ATOM 0 HA MET A 36 -7.221 -3.248 -4.124 1.00 0.00 H new ATOM 0 HB2 MET A 36 -8.535 -0.509 -3.772 1.00 0.00 H new ATOM 0 HB3 MET A 36 -8.223 -1.331 -5.289 1.00 0.00 H new ATOM 0 HG2 MET A 36 -9.966 -2.573 -3.107 1.00 0.00 H new ATOM 0 HG3 MET A 36 -10.635 -1.520 -4.338 1.00 0.00 H new ATOM 0 HE1 MET A 36 -11.467 -3.692 -7.093 1.00 0.00 H new ATOM 0 HE2 MET A 36 -11.887 -2.433 -5.908 1.00 0.00 H new ATOM 0 HE3 MET A 36 -10.571 -2.155 -7.073 1.00 0.00 H new ATOM 559 N ALA A 37 -5.859 -0.809 -2.439 1.00 0.00 N ATOM 560 CA ALA A 37 -4.646 -0.009 -2.298 1.00 0.00 C ATOM 561 C ALA A 37 -3.413 -0.887 -2.066 1.00 0.00 C ATOM 562 O ALA A 37 -2.389 -0.707 -2.724 1.00 0.00 O ATOM 563 CB ALA A 37 -4.808 0.986 -1.148 1.00 0.00 C ATOM 0 H ALA A 37 -6.502 -0.753 -1.649 1.00 0.00 H new ATOM 0 HA ALA A 37 -4.494 0.535 -3.230 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -3.899 1.579 -1.049 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -5.651 1.646 -1.354 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -4.990 0.443 -0.220 1.00 0.00 H new ATOM 569 N PHE A 38 -3.501 -1.826 -1.121 1.00 0.00 N ATOM 570 CA PHE A 38 -2.363 -2.698 -0.821 1.00 0.00 C ATOM 571 C PHE A 38 -1.933 -3.486 -2.062 1.00 0.00 C ATOM 572 O PHE A 38 -0.742 -3.597 -2.353 1.00 0.00 O ATOM 573 CB PHE A 38 -2.723 -3.680 0.331 1.00 0.00 C ATOM 574 CG PHE A 38 -2.052 -3.246 1.622 1.00 0.00 C ATOM 575 CD1 PHE A 38 -0.657 -3.164 1.675 1.00 0.00 C ATOM 576 CD2 PHE A 38 -2.816 -2.928 2.756 1.00 0.00 C ATOM 577 CE1 PHE A 38 -0.021 -2.768 2.854 1.00 0.00 C ATOM 578 CE2 PHE A 38 -2.174 -2.530 3.942 1.00 0.00 C ATOM 579 CZ PHE A 38 -0.777 -2.451 3.987 1.00 0.00 C ATOM 0 H PHE A 38 -4.334 -2.001 -0.559 1.00 0.00 H new ATOM 0 HA PHE A 38 -1.531 -2.068 -0.507 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -3.804 -3.711 0.467 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -2.406 -4.690 0.070 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -0.070 -3.408 0.802 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -3.894 -2.989 2.718 1.00 0.00 H new ATOM 0 HE1 PHE A 38 1.057 -2.707 2.891 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -2.758 -2.286 4.817 1.00 0.00 H new ATOM 0 HZ PHE A 38 -0.283 -2.145 4.897 1.00 0.00 H new ATOM 589 N CYS A 39 -2.899 -4.041 -2.775 1.00 0.00 N ATOM 590 CA CYS A 39 -2.591 -4.821 -3.969 1.00 0.00 C ATOM 591 C CYS A 39 -2.057 -3.931 -5.090 1.00 0.00 C ATOM 592 O CYS A 39 -1.068 -4.264 -5.744 1.00 0.00 O ATOM 593 CB CYS A 39 -3.844 -5.556 -4.448 1.00 0.00 C ATOM 594 SG CYS A 39 -4.980 -4.377 -5.217 1.00 0.00 S ATOM 0 H CYS A 39 -3.892 -3.969 -2.554 1.00 0.00 H new ATOM 0 HA CYS A 39 -1.818 -5.544 -3.709 1.00 0.00 H new ATOM 0 HB2 CYS A 39 -3.572 -6.333 -5.162 1.00 0.00 H new ATOM 0 HB3 CYS A 39 -4.331 -6.051 -3.608 1.00 0.00 H new ATOM 0 HG CYS A 39 -5.032 -3.294 -4.500 1.00 0.00 H new ATOM 600 N ALA A 40 -2.737 -2.814 -5.316 1.00 0.00 N ATOM 601 CA ALA A 40 -2.362 -1.882 -6.373 1.00 0.00 C ATOM 602 C ALA A 40 -0.996 -1.242 -6.126 1.00 0.00 C ATOM 603 O ALA A 40 -0.209 -1.067 -7.057 1.00 0.00 O ATOM 604 CB ALA A 40 -3.421 -0.785 -6.456 1.00 0.00 C ATOM 0 H ALA A 40 -3.556 -2.530 -4.778 1.00 0.00 H new ATOM 0 HA ALA A 40 -2.298 -2.441 -7.307 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -3.154 -0.080 -7.243 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -4.390 -1.231 -6.682 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -3.477 -0.260 -5.502 1.00 0.00 H new ATOM 610 N LEU A 41 -0.732 -0.875 -4.881 1.00 0.00 N ATOM 611 CA LEU A 41 0.532 -0.229 -4.528 1.00 0.00 C ATOM 612 C LEU A 41 1.718 -1.158 -4.804 1.00 0.00 C ATOM 613 O LEU A 41 2.745 -0.733 -5.336 1.00 0.00 O ATOM 614 CB LEU A 41 0.476 0.167 -3.048 1.00 0.00 C ATOM 615 CG LEU A 41 1.744 0.916 -2.626 1.00 0.00 C ATOM 616 CD1 LEU A 41 1.903 2.212 -3.442 1.00 0.00 C ATOM 617 CD2 LEU A 41 1.637 1.256 -1.135 1.00 0.00 C ATOM 0 H LEU A 41 -1.371 -1.011 -4.098 1.00 0.00 H new ATOM 0 HA LEU A 41 0.674 0.661 -5.141 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -0.397 0.795 -2.870 1.00 0.00 H new ATOM 0 HB3 LEU A 41 0.357 -0.726 -2.434 1.00 0.00 H new ATOM 0 HG LEU A 41 2.615 0.286 -2.809 1.00 0.00 H new ATOM 0 HD11 LEU A 41 2.809 2.731 -3.128 1.00 0.00 H new ATOM 0 HD12 LEU A 41 1.973 1.968 -4.502 1.00 0.00 H new ATOM 0 HD13 LEU A 41 1.040 2.856 -3.274 1.00 0.00 H new ATOM 0 HD21 LEU A 41 2.533 1.790 -0.818 1.00 0.00 H new ATOM 0 HD22 LEU A 41 0.762 1.884 -0.967 1.00 0.00 H new ATOM 0 HD23 LEU A 41 1.540 0.336 -0.558 1.00 0.00 H new ATOM 629 N ILE A 42 1.558 -2.425 -4.447 1.00 0.00 N ATOM 630 CA ILE A 42 2.599 -3.433 -4.658 1.00 0.00 C ATOM 631 C ILE A 42 2.812 -3.709 -6.153 1.00 0.00 C ATOM 632 O ILE A 42 3.941 -3.908 -6.602 1.00 0.00 O ATOM 633 CB ILE A 42 2.210 -4.729 -3.907 1.00 0.00 C ATOM 634 CG1 ILE A 42 2.644 -4.626 -2.433 1.00 0.00 C ATOM 635 CG2 ILE A 42 2.858 -5.964 -4.547 1.00 0.00 C ATOM 636 CD1 ILE A 42 4.183 -4.761 -2.282 1.00 0.00 C ATOM 0 H ILE A 42 0.712 -2.785 -4.006 1.00 0.00 H new ATOM 0 HA ILE A 42 3.543 -3.056 -4.263 1.00 0.00 H new ATOM 0 HB ILE A 42 1.128 -4.842 -3.969 1.00 0.00 H new ATOM 0 HG12 ILE A 42 2.320 -3.669 -2.023 1.00 0.00 H new ATOM 0 HG13 ILE A 42 2.151 -5.405 -1.852 1.00 0.00 H new ATOM 0 HG21 ILE A 42 2.564 -6.857 -3.995 1.00 0.00 H new ATOM 0 HG22 ILE A 42 2.528 -6.053 -5.582 1.00 0.00 H new ATOM 0 HG23 ILE A 42 3.943 -5.861 -4.519 1.00 0.00 H new ATOM 0 HD11 ILE A 42 4.453 -4.684 -1.229 1.00 0.00 H new ATOM 0 HD12 ILE A 42 4.503 -5.729 -2.669 1.00 0.00 H new ATOM 0 HD13 ILE A 42 4.675 -3.966 -2.842 1.00 0.00 H new ATOM 648 N HIS A 43 1.721 -3.747 -6.900 1.00 0.00 N ATOM 649 CA HIS A 43 1.786 -4.022 -8.332 1.00 0.00 C ATOM 650 C HIS A 43 2.696 -3.023 -9.052 1.00 0.00 C ATOM 651 O HIS A 43 3.442 -3.384 -9.962 1.00 0.00 O ATOM 652 CB HIS A 43 0.373 -3.956 -8.919 1.00 0.00 C ATOM 653 CG HIS A 43 0.423 -4.129 -10.412 1.00 0.00 C ATOM 654 ND1 HIS A 43 0.236 -3.064 -11.278 1.00 0.00 N ATOM 655 CD2 HIS A 43 0.621 -5.228 -11.208 1.00 0.00 C ATOM 656 CE1 HIS A 43 0.321 -3.540 -12.531 1.00 0.00 C ATOM 657 NE2 HIS A 43 0.558 -4.854 -12.547 1.00 0.00 N ATOM 0 H HIS A 43 0.779 -3.591 -6.542 1.00 0.00 H new ATOM 0 HA HIS A 43 2.206 -5.018 -8.476 1.00 0.00 H new ATOM 0 HB2 HIS A 43 -0.249 -4.733 -8.476 1.00 0.00 H new ATOM 0 HB3 HIS A 43 -0.087 -2.999 -8.671 1.00 0.00 H new ATOM 0 HD2 HIS A 43 0.799 -6.231 -10.850 1.00 0.00 H new ATOM 0 HE1 HIS A 43 0.211 -2.934 -13.418 1.00 0.00 H new ATOM 0 HE2 HIS A 43 0.669 -5.454 -13.364 1.00 0.00 H new ATOM 665 N LYS A 44 2.595 -1.765 -8.651 1.00 0.00 N ATOM 666 CA LYS A 44 3.373 -0.697 -9.276 1.00 0.00 C ATOM 667 C LYS A 44 4.867 -1.049 -9.286 1.00 0.00 C ATOM 668 O LYS A 44 5.596 -0.718 -10.219 1.00 0.00 O ATOM 669 CB LYS A 44 3.168 0.611 -8.480 1.00 0.00 C ATOM 670 CG LYS A 44 3.186 1.828 -9.418 1.00 0.00 C ATOM 671 CD LYS A 44 4.494 1.878 -10.207 1.00 0.00 C ATOM 672 CE LYS A 44 4.639 3.247 -10.871 1.00 0.00 C ATOM 673 NZ LYS A 44 5.905 3.284 -11.654 1.00 0.00 N ATOM 0 H LYS A 44 1.983 -1.455 -7.896 1.00 0.00 H new ATOM 0 HA LYS A 44 3.034 -0.573 -10.305 1.00 0.00 H new ATOM 0 HB2 LYS A 44 2.219 0.572 -7.945 1.00 0.00 H new ATOM 0 HB3 LYS A 44 3.952 0.712 -7.730 1.00 0.00 H new ATOM 0 HG2 LYS A 44 2.342 1.777 -10.106 1.00 0.00 H new ATOM 0 HG3 LYS A 44 3.070 2.743 -8.838 1.00 0.00 H new ATOM 0 HD2 LYS A 44 5.338 1.693 -9.543 1.00 0.00 H new ATOM 0 HD3 LYS A 44 4.505 1.093 -10.963 1.00 0.00 H new ATOM 0 HE2 LYS A 44 3.788 3.439 -11.525 1.00 0.00 H new ATOM 0 HE3 LYS A 44 4.643 4.032 -10.115 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 6.006 4.215 -12.107 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 6.711 3.119 -11.018 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 5.883 2.544 -12.385 1.00 0.00 H new ATOM 687 N PHE A 45 5.320 -1.702 -8.226 1.00 0.00 N ATOM 688 CA PHE A 45 6.729 -2.068 -8.102 1.00 0.00 C ATOM 689 C PHE A 45 7.027 -3.439 -8.704 1.00 0.00 C ATOM 690 O PHE A 45 8.095 -3.656 -9.271 1.00 0.00 O ATOM 691 CB PHE A 45 7.112 -2.063 -6.620 1.00 0.00 C ATOM 692 CG PHE A 45 6.435 -0.904 -5.911 1.00 0.00 C ATOM 693 CD1 PHE A 45 6.369 0.365 -6.511 1.00 0.00 C ATOM 694 CD2 PHE A 45 5.870 -1.105 -4.646 1.00 0.00 C ATOM 695 CE1 PHE A 45 5.742 1.422 -5.842 1.00 0.00 C ATOM 696 CE2 PHE A 45 5.245 -0.049 -3.981 1.00 0.00 C ATOM 697 CZ PHE A 45 5.182 1.218 -4.576 1.00 0.00 C ATOM 0 H PHE A 45 4.737 -1.990 -7.440 1.00 0.00 H new ATOM 0 HA PHE A 45 7.318 -1.337 -8.657 1.00 0.00 H new ATOM 0 HB2 PHE A 45 6.818 -3.005 -6.157 1.00 0.00 H new ATOM 0 HB3 PHE A 45 8.194 -1.981 -6.516 1.00 0.00 H new ATOM 0 HD1 PHE A 45 6.802 0.524 -7.488 1.00 0.00 H new ATOM 0 HD2 PHE A 45 5.918 -2.080 -4.183 1.00 0.00 H new ATOM 0 HE1 PHE A 45 5.690 2.397 -6.304 1.00 0.00 H new ATOM 0 HE2 PHE A 45 4.809 -0.209 -3.006 1.00 0.00 H new ATOM 0 HZ PHE A 45 4.702 2.036 -4.058 1.00 0.00 H new ATOM 707 N PHE A 46 6.096 -4.370 -8.549 1.00 0.00 N ATOM 708 CA PHE A 46 6.283 -5.732 -9.046 1.00 0.00 C ATOM 709 C PHE A 46 5.272 -6.061 -10.152 1.00 0.00 C ATOM 710 O PHE A 46 4.337 -6.802 -9.913 1.00 0.00 O ATOM 711 CB PHE A 46 6.097 -6.679 -7.860 1.00 0.00 C ATOM 712 CG PHE A 46 7.180 -6.400 -6.849 1.00 0.00 C ATOM 713 CD1 PHE A 46 8.446 -6.963 -7.009 1.00 0.00 C ATOM 714 CD2 PHE A 46 6.921 -5.555 -5.760 1.00 0.00 C ATOM 715 CE1 PHE A 46 9.456 -6.686 -6.080 1.00 0.00 C ATOM 716 CE2 PHE A 46 7.928 -5.279 -4.831 1.00 0.00 C ATOM 717 CZ PHE A 46 9.194 -5.844 -4.988 1.00 0.00 C ATOM 0 H PHE A 46 5.203 -4.210 -8.083 1.00 0.00 H new ATOM 0 HA PHE A 46 7.278 -5.839 -9.478 1.00 0.00 H new ATOM 0 HB2 PHE A 46 5.114 -6.535 -7.411 1.00 0.00 H new ATOM 0 HB3 PHE A 46 6.147 -7.716 -8.192 1.00 0.00 H new ATOM 0 HD1 PHE A 46 8.647 -7.612 -7.849 1.00 0.00 H new ATOM 0 HD2 PHE A 46 5.941 -5.117 -5.639 1.00 0.00 H new ATOM 0 HE1 PHE A 46 10.437 -7.120 -6.204 1.00 0.00 H new ATOM 0 HE2 PHE A 46 7.726 -4.629 -3.992 1.00 0.00 H new ATOM 0 HZ PHE A 46 9.972 -5.634 -4.269 1.00 0.00 H new ATOM 727 N PRO A 47 5.419 -5.527 -11.349 1.00 0.00 N ATOM 728 CA PRO A 47 4.446 -5.795 -12.457 1.00 0.00 C ATOM 729 C PRO A 47 4.097 -7.277 -12.567 1.00 0.00 C ATOM 730 O PRO A 47 2.949 -7.638 -12.839 1.00 0.00 O ATOM 731 CB PRO A 47 5.169 -5.311 -13.738 1.00 0.00 C ATOM 732 CG PRO A 47 6.528 -4.820 -13.304 1.00 0.00 C ATOM 733 CD PRO A 47 6.489 -4.619 -11.788 1.00 0.00 C ATOM 0 HA PRO A 47 3.499 -5.283 -12.286 1.00 0.00 H new ATOM 0 HB2 PRO A 47 5.262 -6.122 -14.461 1.00 0.00 H new ATOM 0 HB3 PRO A 47 4.606 -4.514 -14.224 1.00 0.00 H new ATOM 0 HG2 PRO A 47 7.299 -5.541 -13.574 1.00 0.00 H new ATOM 0 HG3 PRO A 47 6.775 -3.885 -13.807 1.00 0.00 H new ATOM 0 HD2 PRO A 47 7.443 -4.870 -11.325 1.00 0.00 H new ATOM 0 HD3 PRO A 47 6.270 -3.584 -11.526 1.00 0.00 H new ATOM 741 N GLU A 48 5.088 -8.123 -12.343 1.00 0.00 N ATOM 742 CA GLU A 48 4.876 -9.559 -12.405 1.00 0.00 C ATOM 743 C GLU A 48 3.903 -9.974 -11.311 1.00 0.00 C ATOM 744 O GLU A 48 3.276 -11.033 -11.378 1.00 0.00 O ATOM 745 CB GLU A 48 6.209 -10.291 -12.215 1.00 0.00 C ATOM 746 CG GLU A 48 7.113 -10.033 -13.424 1.00 0.00 C ATOM 747 CD GLU A 48 8.467 -10.710 -13.225 1.00 0.00 C ATOM 748 OE1 GLU A 48 8.971 -10.672 -12.114 1.00 0.00 O ATOM 749 OE2 GLU A 48 8.982 -11.254 -14.188 1.00 0.00 O ATOM 0 H GLU A 48 6.042 -7.843 -12.118 1.00 0.00 H new ATOM 0 HA GLU A 48 4.462 -9.821 -13.379 1.00 0.00 H new ATOM 0 HB2 GLU A 48 6.697 -9.948 -11.303 1.00 0.00 H new ATOM 0 HB3 GLU A 48 6.035 -11.361 -12.100 1.00 0.00 H new ATOM 0 HG2 GLU A 48 6.639 -10.412 -14.329 1.00 0.00 H new ATOM 0 HG3 GLU A 48 7.251 -8.961 -13.561 1.00 0.00 H new ATOM 756 N ALA A 49 3.795 -9.114 -10.302 1.00 0.00 N ATOM 757 CA ALA A 49 2.911 -9.349 -9.155 1.00 0.00 C ATOM 758 C ALA A 49 1.650 -10.100 -9.543 1.00 0.00 C ATOM 759 O ALA A 49 1.528 -11.302 -9.308 1.00 0.00 O ATOM 760 CB ALA A 49 2.479 -8.007 -8.547 1.00 0.00 C ATOM 0 H ALA A 49 4.314 -8.237 -10.252 1.00 0.00 H new ATOM 0 HA ALA A 49 3.477 -9.949 -8.442 1.00 0.00 H new ATOM 0 HB1 ALA A 49 1.823 -8.188 -7.696 1.00 0.00 H new ATOM 0 HB2 ALA A 49 3.360 -7.457 -8.216 1.00 0.00 H new ATOM 0 HB3 ALA A 49 1.947 -7.422 -9.297 1.00 0.00 H new ATOM 766 N PHE A 50 0.722 -9.372 -10.140 1.00 0.00 N ATOM 767 CA PHE A 50 -0.536 -9.943 -10.566 1.00 0.00 C ATOM 768 C PHE A 50 -1.262 -8.954 -11.468 1.00 0.00 C ATOM 769 O PHE A 50 -0.963 -7.758 -11.463 1.00 0.00 O ATOM 770 CB PHE A 50 -1.407 -10.275 -9.341 1.00 0.00 C ATOM 771 CG PHE A 50 -1.196 -9.234 -8.261 1.00 0.00 C ATOM 772 CD1 PHE A 50 -1.762 -7.958 -8.389 1.00 0.00 C ATOM 773 CD2 PHE A 50 -0.436 -9.548 -7.126 1.00 0.00 C ATOM 774 CE1 PHE A 50 -1.563 -6.999 -7.386 1.00 0.00 C ATOM 775 CE2 PHE A 50 -0.239 -8.589 -6.123 1.00 0.00 C ATOM 776 CZ PHE A 50 -0.801 -7.315 -6.255 1.00 0.00 C ATOM 0 H PHE A 50 0.821 -8.377 -10.340 1.00 0.00 H new ATOM 0 HA PHE A 50 -0.345 -10.863 -11.119 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -2.458 -10.305 -9.629 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -1.152 -11.264 -8.960 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -2.351 -7.714 -9.260 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -0.001 -10.531 -7.024 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -1.998 -6.016 -7.486 1.00 0.00 H new ATOM 0 HE2 PHE A 50 0.346 -8.834 -5.249 1.00 0.00 H new ATOM 0 HZ PHE A 50 -0.647 -6.575 -5.484 1.00 0.00 H new ATOM 786 N ASP A 51 -2.229 -9.456 -12.217 1.00 0.00 N ATOM 787 CA ASP A 51 -3.010 -8.604 -13.096 1.00 0.00 C ATOM 788 C ASP A 51 -4.041 -7.841 -12.271 1.00 0.00 C ATOM 789 O ASP A 51 -5.131 -8.343 -12.002 1.00 0.00 O ATOM 790 CB ASP A 51 -3.716 -9.454 -14.153 1.00 0.00 C ATOM 791 CG ASP A 51 -2.714 -9.965 -15.181 1.00 0.00 C ATOM 792 OD1 ASP A 51 -1.614 -9.444 -15.219 1.00 0.00 O ATOM 793 OD2 ASP A 51 -3.067 -10.874 -15.918 1.00 0.00 O ATOM 0 H ASP A 51 -2.490 -10.442 -12.234 1.00 0.00 H new ATOM 0 HA ASP A 51 -2.349 -7.897 -13.597 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -4.218 -10.296 -13.676 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -4.486 -8.863 -14.649 1.00 0.00 H new ATOM 798 N TYR A 52 -3.684 -6.634 -11.849 1.00 0.00 N ATOM 799 CA TYR A 52 -4.569 -5.810 -11.036 1.00 0.00 C ATOM 800 C TYR A 52 -5.853 -5.496 -11.779 1.00 0.00 C ATOM 801 O TYR A 52 -6.865 -5.153 -11.169 1.00 0.00 O ATOM 802 CB TYR A 52 -3.870 -4.495 -10.691 1.00 0.00 C ATOM 803 CG TYR A 52 -4.845 -3.548 -10.018 1.00 0.00 C ATOM 804 CD1 TYR A 52 -5.172 -3.710 -8.667 1.00 0.00 C ATOM 805 CD2 TYR A 52 -5.432 -2.511 -10.758 1.00 0.00 C ATOM 806 CE1 TYR A 52 -6.085 -2.836 -8.058 1.00 0.00 C ATOM 807 CE2 TYR A 52 -6.341 -1.638 -10.147 1.00 0.00 C ATOM 808 CZ TYR A 52 -6.667 -1.802 -8.797 1.00 0.00 C ATOM 809 OH TYR A 52 -7.564 -0.945 -8.191 1.00 0.00 O ATOM 0 H TYR A 52 -2.783 -6.203 -12.058 1.00 0.00 H new ATOM 0 HA TYR A 52 -4.809 -6.364 -10.128 1.00 0.00 H new ATOM 0 HB2 TYR A 52 -3.023 -4.686 -10.032 1.00 0.00 H new ATOM 0 HB3 TYR A 52 -3.472 -4.037 -11.597 1.00 0.00 H new ATOM 0 HD1 TYR A 52 -4.722 -4.507 -8.094 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -5.182 -2.385 -11.801 1.00 0.00 H new ATOM 0 HE1 TYR A 52 -6.339 -2.962 -7.016 1.00 0.00 H new ATOM 0 HE2 TYR A 52 -6.790 -0.839 -10.718 1.00 0.00 H new ATOM 0 HH TYR A 52 -7.875 -0.282 -8.843 1.00 0.00 H new ATOM 819 N ALA A 53 -5.806 -5.613 -13.091 1.00 0.00 N ATOM 820 CA ALA A 53 -6.974 -5.333 -13.909 1.00 0.00 C ATOM 821 C ALA A 53 -7.925 -6.525 -13.915 1.00 0.00 C ATOM 822 O ALA A 53 -9.108 -6.381 -14.229 1.00 0.00 O ATOM 823 CB ALA A 53 -6.535 -5.023 -15.337 1.00 0.00 C ATOM 0 H ALA A 53 -4.978 -5.898 -13.613 1.00 0.00 H new ATOM 0 HA ALA A 53 -7.496 -4.473 -13.489 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -7.412 -4.813 -15.950 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -5.877 -4.154 -15.335 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -6.002 -5.880 -15.748 1.00 0.00 H new ATOM 829 N GLU A 54 -7.406 -7.702 -13.572 1.00 0.00 N ATOM 830 CA GLU A 54 -8.207 -8.910 -13.541 1.00 0.00 C ATOM 831 C GLU A 54 -8.942 -9.036 -12.217 1.00 0.00 C ATOM 832 O GLU A 54 -9.860 -9.850 -12.086 1.00 0.00 O ATOM 833 CB GLU A 54 -7.281 -10.111 -13.712 1.00 0.00 C ATOM 834 CG GLU A 54 -6.900 -10.274 -15.183 1.00 0.00 C ATOM 835 CD GLU A 54 -8.104 -10.749 -15.987 1.00 0.00 C ATOM 836 OE1 GLU A 54 -9.008 -11.307 -15.389 1.00 0.00 O ATOM 837 OE2 GLU A 54 -8.104 -10.548 -17.190 1.00 0.00 O ATOM 0 H GLU A 54 -6.429 -7.838 -13.312 1.00 0.00 H new ATOM 0 HA GLU A 54 -8.943 -8.870 -14.344 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -6.383 -9.977 -13.108 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -7.774 -11.015 -13.354 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -6.539 -9.325 -15.580 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -6.084 -10.990 -15.278 1.00 0.00 H new ATOM 844 N LEU A 55 -8.531 -8.248 -11.228 1.00 0.00 N ATOM 845 CA LEU A 55 -9.156 -8.306 -9.916 1.00 0.00 C ATOM 846 C LEU A 55 -10.437 -7.483 -9.884 1.00 0.00 C ATOM 847 O LEU A 55 -10.559 -6.476 -10.583 1.00 0.00 O ATOM 848 CB LEU A 55 -8.161 -7.788 -8.879 1.00 0.00 C ATOM 849 CG LEU A 55 -6.978 -8.771 -8.780 1.00 0.00 C ATOM 850 CD1 LEU A 55 -5.849 -8.151 -7.945 1.00 0.00 C ATOM 851 CD2 LEU A 55 -7.434 -10.097 -8.132 1.00 0.00 C ATOM 0 H LEU A 55 -7.775 -7.569 -11.311 1.00 0.00 H new ATOM 0 HA LEU A 55 -9.425 -9.338 -9.689 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -7.804 -6.798 -9.162 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -8.648 -7.686 -7.909 1.00 0.00 H new ATOM 0 HG LEU A 55 -6.612 -8.976 -9.786 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -5.017 -8.852 -7.880 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -5.510 -7.229 -8.418 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -6.217 -7.931 -6.943 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -6.588 -10.781 -8.069 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -7.817 -9.900 -7.131 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -8.220 -10.547 -8.739 1.00 0.00 H new ATOM 863 N ASP A 56 -11.397 -7.927 -9.071 1.00 0.00 N ATOM 864 CA ASP A 56 -12.678 -7.241 -8.948 1.00 0.00 C ATOM 865 C ASP A 56 -12.965 -6.911 -7.472 1.00 0.00 C ATOM 866 O ASP A 56 -12.569 -7.665 -6.583 1.00 0.00 O ATOM 867 CB ASP A 56 -13.780 -8.150 -9.498 1.00 0.00 C ATOM 868 CG ASP A 56 -13.656 -8.265 -11.016 1.00 0.00 C ATOM 869 OD1 ASP A 56 -12.798 -9.008 -11.468 1.00 0.00 O ATOM 870 OD2 ASP A 56 -14.418 -7.608 -11.705 1.00 0.00 O ATOM 0 H ASP A 56 -11.309 -8.760 -8.489 1.00 0.00 H new ATOM 0 HA ASP A 56 -12.647 -6.309 -9.513 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -13.708 -9.138 -9.043 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -14.759 -7.749 -9.235 1.00 0.00 H new ATOM 875 N PRO A 57 -13.638 -5.812 -7.188 1.00 0.00 N ATOM 876 CA PRO A 57 -13.956 -5.418 -5.782 1.00 0.00 C ATOM 877 C PRO A 57 -14.608 -6.589 -5.049 1.00 0.00 C ATOM 878 O PRO A 57 -14.795 -6.563 -3.834 1.00 0.00 O ATOM 879 CB PRO A 57 -14.943 -4.230 -5.906 1.00 0.00 C ATOM 880 CG PRO A 57 -15.200 -4.029 -7.379 1.00 0.00 C ATOM 881 CD PRO A 57 -14.148 -4.834 -8.158 1.00 0.00 C ATOM 0 HA PRO A 57 -13.066 -5.142 -5.216 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -15.872 -4.442 -5.377 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -14.521 -3.329 -5.461 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -16.205 -4.362 -7.640 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -15.138 -2.972 -7.636 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -14.588 -5.327 -9.025 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -13.350 -4.190 -8.529 1.00 0.00 H new ATOM 889 N ALA A 58 -14.963 -7.605 -5.817 1.00 0.00 N ATOM 890 CA ALA A 58 -15.594 -8.792 -5.268 1.00 0.00 C ATOM 891 C ALA A 58 -14.583 -9.627 -4.487 1.00 0.00 C ATOM 892 O ALA A 58 -14.872 -10.122 -3.397 1.00 0.00 O ATOM 893 CB ALA A 58 -16.159 -9.637 -6.411 1.00 0.00 C ATOM 0 H ALA A 58 -14.824 -7.631 -6.827 1.00 0.00 H new ATOM 0 HA ALA A 58 -16.393 -8.482 -4.594 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -16.634 -10.529 -6.003 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -16.896 -9.055 -6.964 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -15.351 -9.930 -7.081 1.00 0.00 H new ATOM 899 N LYS A 59 -13.403 -9.788 -5.075 1.00 0.00 N ATOM 900 CA LYS A 59 -12.337 -10.585 -4.469 1.00 0.00 C ATOM 901 C LYS A 59 -11.465 -9.741 -3.532 1.00 0.00 C ATOM 902 O LYS A 59 -10.260 -9.613 -3.746 1.00 0.00 O ATOM 903 CB LYS A 59 -11.462 -11.166 -5.583 1.00 0.00 C ATOM 904 CG LYS A 59 -12.300 -12.105 -6.463 1.00 0.00 C ATOM 905 CD LYS A 59 -11.424 -12.701 -7.586 1.00 0.00 C ATOM 906 CE LYS A 59 -11.379 -11.746 -8.786 1.00 0.00 C ATOM 907 NZ LYS A 59 -12.686 -11.797 -9.498 1.00 0.00 N ATOM 0 H LYS A 59 -13.157 -9.376 -5.975 1.00 0.00 H new ATOM 0 HA LYS A 59 -12.794 -11.380 -3.880 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -11.045 -10.361 -6.188 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -10.621 -11.710 -5.152 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -12.721 -12.906 -5.856 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -13.138 -11.559 -6.896 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -10.415 -12.878 -7.215 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -11.824 -13.667 -7.895 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -11.173 -10.730 -8.450 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -10.571 -12.028 -9.461 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -12.915 -10.854 -9.871 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -12.627 -12.475 -10.284 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -13.430 -12.097 -8.837 1.00 0.00 H new ATOM 921 N ARG A 60 -12.080 -9.158 -2.506 1.00 0.00 N ATOM 922 CA ARG A 60 -11.340 -8.321 -1.557 1.00 0.00 C ATOM 923 C ARG A 60 -10.412 -9.140 -0.658 1.00 0.00 C ATOM 924 O ARG A 60 -9.226 -8.830 -0.541 1.00 0.00 O ATOM 925 CB ARG A 60 -12.344 -7.538 -0.699 1.00 0.00 C ATOM 926 CG ARG A 60 -12.866 -6.326 -1.490 1.00 0.00 C ATOM 927 CD ARG A 60 -14.242 -5.916 -0.967 1.00 0.00 C ATOM 928 NE ARG A 60 -14.204 -5.782 0.490 1.00 0.00 N ATOM 929 CZ ARG A 60 -14.176 -4.593 1.078 1.00 0.00 C ATOM 930 NH1 ARG A 60 -15.083 -3.705 0.784 1.00 0.00 N ATOM 931 NH2 ARG A 60 -13.242 -4.315 1.941 1.00 0.00 N ATOM 0 H ARG A 60 -13.077 -9.246 -2.309 1.00 0.00 H new ATOM 0 HA ARG A 60 -10.709 -7.639 -2.127 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -13.175 -8.184 -0.414 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -11.868 -7.205 0.223 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -12.169 -5.493 -1.397 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -12.929 -6.572 -2.550 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -14.546 -4.972 -1.419 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -14.985 -6.660 -1.253 1.00 0.00 H new ATOM 0 HE ARG A 60 -14.199 -6.623 1.067 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -15.811 -3.925 0.104 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -15.065 -2.790 1.234 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -12.531 -5.011 2.165 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -13.221 -3.401 2.393 1.00 0.00 H new ATOM 945 N ARG A 61 -10.952 -10.163 -0.006 1.00 0.00 N ATOM 946 CA ARG A 61 -10.141 -10.972 0.898 1.00 0.00 C ATOM 947 C ARG A 61 -8.893 -11.455 0.191 1.00 0.00 C ATOM 948 O ARG A 61 -7.776 -11.331 0.701 1.00 0.00 O ATOM 949 CB ARG A 61 -10.941 -12.187 1.349 1.00 0.00 C ATOM 950 CG ARG A 61 -10.155 -12.976 2.398 1.00 0.00 C ATOM 951 CD ARG A 61 -10.966 -14.195 2.836 1.00 0.00 C ATOM 952 NE ARG A 61 -10.318 -14.849 3.968 1.00 0.00 N ATOM 953 CZ ARG A 61 -10.825 -15.955 4.505 1.00 0.00 C ATOM 954 NH1 ARG A 61 -10.898 -17.048 3.797 1.00 0.00 N ATOM 955 NH2 ARG A 61 -11.245 -15.949 5.741 1.00 0.00 N ATOM 0 H ARG A 61 -11.928 -10.449 -0.083 1.00 0.00 H new ATOM 0 HA ARG A 61 -9.862 -10.361 1.757 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -11.897 -11.869 1.764 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -11.161 -12.825 0.493 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -9.197 -13.293 1.987 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -9.939 -12.342 3.258 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -11.975 -13.890 3.112 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -11.060 -14.896 2.006 1.00 0.00 H new ATOM 0 HE ARG A 61 -9.462 -14.451 4.354 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -10.566 -17.054 2.832 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -11.287 -17.897 4.208 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -11.185 -15.095 6.296 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -11.634 -16.798 6.152 1.00 0.00 H new ATOM 969 N HIS A 62 -9.097 -12.006 -0.990 1.00 0.00 N ATOM 970 CA HIS A 62 -8.005 -12.523 -1.777 1.00 0.00 C ATOM 971 C HIS A 62 -7.007 -11.418 -2.112 1.00 0.00 C ATOM 972 O HIS A 62 -5.805 -11.652 -2.189 1.00 0.00 O ATOM 973 CB HIS A 62 -8.559 -13.114 -3.066 1.00 0.00 C ATOM 974 CG HIS A 62 -9.460 -14.282 -2.749 1.00 0.00 C ATOM 975 ND1 HIS A 62 -10.441 -14.720 -3.629 1.00 0.00 N ATOM 976 CD2 HIS A 62 -9.553 -15.103 -1.649 1.00 0.00 C ATOM 977 CE1 HIS A 62 -11.075 -15.756 -3.047 1.00 0.00 C ATOM 978 NE2 HIS A 62 -10.573 -16.030 -1.842 1.00 0.00 N ATOM 0 H HIS A 62 -10.015 -12.105 -1.423 1.00 0.00 H new ATOM 0 HA HIS A 62 -7.488 -13.291 -1.201 1.00 0.00 H new ATOM 0 HB2 HIS A 62 -9.114 -12.354 -3.616 1.00 0.00 H new ATOM 0 HB3 HIS A 62 -7.741 -13.439 -3.709 1.00 0.00 H new ATOM 0 HD2 HIS A 62 -8.929 -15.038 -0.770 1.00 0.00 H new ATOM 0 HE1 HIS A 62 -11.891 -16.299 -3.501 1.00 0.00 H new ATOM 0 HE2 HIS A 62 -10.873 -16.763 -1.199 1.00 0.00 H new ATOM 986 N ASN A 63 -7.526 -10.214 -2.295 1.00 0.00 N ATOM 987 CA ASN A 63 -6.693 -9.056 -2.615 1.00 0.00 C ATOM 988 C ASN A 63 -5.721 -8.773 -1.478 1.00 0.00 C ATOM 989 O ASN A 63 -4.551 -8.462 -1.709 1.00 0.00 O ATOM 990 CB ASN A 63 -7.581 -7.824 -2.834 1.00 0.00 C ATOM 991 CG ASN A 63 -6.829 -6.750 -3.615 1.00 0.00 C ATOM 992 OD1 ASN A 63 -6.224 -7.036 -4.649 1.00 0.00 O ATOM 993 ND2 ASN A 63 -6.830 -5.522 -3.173 1.00 0.00 N ATOM 0 H ASN A 63 -8.523 -10.009 -2.228 1.00 0.00 H new ATOM 0 HA ASN A 63 -6.130 -9.273 -3.523 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -8.482 -8.111 -3.376 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -7.901 -7.424 -1.872 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -6.329 -4.796 -3.684 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -7.332 -5.289 -2.316 1.00 0.00 H new ATOM 1000 N PHE A 64 -6.208 -8.890 -0.247 1.00 0.00 N ATOM 1001 CA PHE A 64 -5.349 -8.646 0.900 1.00 0.00 C ATOM 1002 C PHE A 64 -4.262 -9.715 0.963 1.00 0.00 C ATOM 1003 O PHE A 64 -3.073 -9.404 0.913 1.00 0.00 O ATOM 1004 CB PHE A 64 -6.171 -8.640 2.193 1.00 0.00 C ATOM 1005 CG PHE A 64 -6.927 -7.332 2.322 1.00 0.00 C ATOM 1006 CD1 PHE A 64 -6.258 -6.181 2.765 1.00 0.00 C ATOM 1007 CD2 PHE A 64 -8.289 -7.268 2.005 1.00 0.00 C ATOM 1008 CE1 PHE A 64 -6.951 -4.973 2.889 1.00 0.00 C ATOM 1009 CE2 PHE A 64 -8.983 -6.056 2.130 1.00 0.00 C ATOM 1010 CZ PHE A 64 -8.311 -4.909 2.573 1.00 0.00 C ATOM 0 H PHE A 64 -7.170 -9.146 -0.023 1.00 0.00 H new ATOM 0 HA PHE A 64 -4.880 -7.668 0.791 1.00 0.00 H new ATOM 0 HB2 PHE A 64 -6.871 -9.475 2.192 1.00 0.00 H new ATOM 0 HB3 PHE A 64 -5.514 -8.776 3.052 1.00 0.00 H new ATOM 0 HD1 PHE A 64 -5.207 -6.228 3.010 1.00 0.00 H new ATOM 0 HD2 PHE A 64 -8.806 -8.153 1.664 1.00 0.00 H new ATOM 0 HE1 PHE A 64 -6.435 -4.088 3.230 1.00 0.00 H new ATOM 0 HE2 PHE A 64 -10.034 -6.007 1.885 1.00 0.00 H new ATOM 0 HZ PHE A 64 -8.844 -3.975 2.670 1.00 0.00 H new ATOM 1020 N THR A 65 -4.675 -10.977 1.055 1.00 0.00 N ATOM 1021 CA THR A 65 -3.707 -12.070 1.109 1.00 0.00 C ATOM 1022 C THR A 65 -2.723 -11.941 -0.043 1.00 0.00 C ATOM 1023 O THR A 65 -1.520 -12.140 0.124 1.00 0.00 O ATOM 1024 CB THR A 65 -4.406 -13.427 1.012 1.00 0.00 C ATOM 1025 OG1 THR A 65 -5.494 -13.470 1.924 1.00 0.00 O ATOM 1026 CG2 THR A 65 -3.407 -14.537 1.346 1.00 0.00 C ATOM 0 H THR A 65 -5.653 -11.265 1.093 1.00 0.00 H new ATOM 0 HA THR A 65 -3.182 -12.010 2.062 1.00 0.00 H new ATOM 0 HB THR A 65 -4.783 -13.571 -0.001 1.00 0.00 H new ATOM 0 HG1 THR A 65 -5.941 -14.340 1.859 1.00 0.00 H new ATOM 0 HG21 THR A 65 -3.903 -15.505 1.278 1.00 0.00 H new ATOM 0 HG22 THR A 65 -2.577 -14.504 0.640 1.00 0.00 H new ATOM 0 HG23 THR A 65 -3.029 -14.394 2.358 1.00 0.00 H new ATOM 1034 N LEU A 66 -3.252 -11.619 -1.213 1.00 0.00 N ATOM 1035 CA LEU A 66 -2.434 -11.471 -2.407 1.00 0.00 C ATOM 1036 C LEU A 66 -1.382 -10.387 -2.222 1.00 0.00 C ATOM 1037 O LEU A 66 -0.206 -10.593 -2.526 1.00 0.00 O ATOM 1038 CB LEU A 66 -3.347 -11.098 -3.572 1.00 0.00 C ATOM 1039 CG LEU A 66 -2.553 -10.912 -4.868 1.00 0.00 C ATOM 1040 CD1 LEU A 66 -1.797 -12.201 -5.222 1.00 0.00 C ATOM 1041 CD2 LEU A 66 -3.538 -10.574 -5.990 1.00 0.00 C ATOM 0 H LEU A 66 -4.248 -11.455 -1.362 1.00 0.00 H new ATOM 0 HA LEU A 66 -1.918 -12.411 -2.604 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -4.097 -11.876 -3.712 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -3.882 -10.178 -3.336 1.00 0.00 H new ATOM 0 HG LEU A 66 -1.827 -10.109 -4.741 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -1.238 -12.053 -6.146 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -1.107 -12.451 -4.416 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -2.509 -13.015 -5.356 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -2.993 -10.437 -6.924 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -4.254 -11.388 -6.104 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -4.070 -9.655 -5.743 1.00 0.00 H new ATOM 1053 N ALA A 67 -1.802 -9.228 -1.729 1.00 0.00 N ATOM 1054 CA ALA A 67 -0.868 -8.141 -1.525 1.00 0.00 C ATOM 1055 C ALA A 67 0.200 -8.553 -0.531 1.00 0.00 C ATOM 1056 O ALA A 67 1.371 -8.207 -0.684 1.00 0.00 O ATOM 1057 CB ALA A 67 -1.596 -6.911 -1.001 1.00 0.00 C ATOM 0 H ALA A 67 -2.767 -9.024 -1.469 1.00 0.00 H new ATOM 0 HA ALA A 67 -0.402 -7.902 -2.481 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -0.882 -6.101 -0.852 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -2.351 -6.600 -1.723 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -2.077 -7.149 -0.052 1.00 0.00 H new ATOM 1063 N PHE A 68 -0.210 -9.298 0.486 1.00 0.00 N ATOM 1064 CA PHE A 68 0.725 -9.753 1.500 1.00 0.00 C ATOM 1065 C PHE A 68 1.539 -10.948 1.001 1.00 0.00 C ATOM 1066 O PHE A 68 2.764 -10.965 1.121 1.00 0.00 O ATOM 1067 CB PHE A 68 -0.034 -10.118 2.781 1.00 0.00 C ATOM 1068 CG PHE A 68 -0.635 -8.866 3.401 1.00 0.00 C ATOM 1069 CD1 PHE A 68 0.198 -7.836 3.864 1.00 0.00 C ATOM 1070 CD2 PHE A 68 -2.027 -8.740 3.524 1.00 0.00 C ATOM 1071 CE1 PHE A 68 -0.359 -6.687 4.441 1.00 0.00 C ATOM 1072 CE2 PHE A 68 -2.581 -7.588 4.103 1.00 0.00 C ATOM 1073 CZ PHE A 68 -1.748 -6.563 4.560 1.00 0.00 C ATOM 0 H PHE A 68 -1.175 -9.597 0.629 1.00 0.00 H new ATOM 0 HA PHE A 68 1.421 -8.943 1.717 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -0.822 -10.837 2.555 1.00 0.00 H new ATOM 0 HB3 PHE A 68 0.641 -10.597 3.490 1.00 0.00 H new ATOM 0 HD1 PHE A 68 1.270 -7.929 3.775 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -2.673 -9.531 3.173 1.00 0.00 H new ATOM 0 HE1 PHE A 68 0.285 -5.895 4.795 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -3.653 -7.493 4.196 1.00 0.00 H new ATOM 0 HZ PHE A 68 -2.176 -5.676 5.004 1.00 0.00 H new ATOM 1083 N SER A 69 0.864 -11.951 0.442 1.00 0.00 N ATOM 1084 CA SER A 69 1.563 -13.134 -0.057 1.00 0.00 C ATOM 1085 C SER A 69 2.497 -12.771 -1.207 1.00 0.00 C ATOM 1086 O SER A 69 3.521 -13.425 -1.416 1.00 0.00 O ATOM 1087 CB SER A 69 0.559 -14.186 -0.534 1.00 0.00 C ATOM 1088 OG SER A 69 1.264 -15.363 -0.909 1.00 0.00 O ATOM 0 H SER A 69 -0.149 -11.970 0.324 1.00 0.00 H new ATOM 0 HA SER A 69 2.154 -13.542 0.763 1.00 0.00 H new ATOM 0 HB2 SER A 69 -0.155 -14.411 0.258 1.00 0.00 H new ATOM 0 HB3 SER A 69 -0.013 -13.804 -1.380 1.00 0.00 H new ATOM 0 HG SER A 69 0.627 -16.042 -1.214 1.00 0.00 H new ATOM 1094 N THR A 70 2.164 -11.704 -1.929 1.00 0.00 N ATOM 1095 CA THR A 70 3.014 -11.258 -3.028 1.00 0.00 C ATOM 1096 C THR A 70 4.214 -10.488 -2.491 1.00 0.00 C ATOM 1097 O THR A 70 5.347 -10.704 -2.919 1.00 0.00 O ATOM 1098 CB THR A 70 2.231 -10.382 -4.007 1.00 0.00 C ATOM 1099 OG1 THR A 70 1.183 -11.145 -4.586 1.00 0.00 O ATOM 1100 CG2 THR A 70 3.176 -9.894 -5.107 1.00 0.00 C ATOM 0 H THR A 70 1.327 -11.141 -1.777 1.00 0.00 H new ATOM 0 HA THR A 70 3.365 -12.142 -3.561 1.00 0.00 H new ATOM 0 HB THR A 70 1.808 -9.526 -3.481 1.00 0.00 H new ATOM 0 HG1 THR A 70 0.372 -11.052 -4.043 1.00 0.00 H new ATOM 0 HG21 THR A 70 2.625 -9.269 -5.809 1.00 0.00 H new ATOM 0 HG22 THR A 70 3.984 -9.314 -4.661 1.00 0.00 H new ATOM 0 HG23 THR A 70 3.593 -10.751 -5.635 1.00 0.00 H new ATOM 1108 N ALA A 71 3.952 -9.584 -1.550 1.00 0.00 N ATOM 1109 CA ALA A 71 5.016 -8.780 -0.964 1.00 0.00 C ATOM 1110 C ALA A 71 6.007 -9.661 -0.212 1.00 0.00 C ATOM 1111 O ALA A 71 7.206 -9.387 -0.203 1.00 0.00 O ATOM 1112 CB ALA A 71 4.431 -7.738 -0.004 1.00 0.00 C ATOM 0 H ALA A 71 3.021 -9.392 -1.181 1.00 0.00 H new ATOM 0 HA ALA A 71 5.538 -8.271 -1.775 1.00 0.00 H new ATOM 0 HB1 ALA A 71 5.239 -7.145 0.426 1.00 0.00 H new ATOM 0 HB2 ALA A 71 3.750 -7.083 -0.548 1.00 0.00 H new ATOM 0 HB3 ALA A 71 3.887 -8.243 0.794 1.00 0.00 H new ATOM 1118 N GLU A 72 5.504 -10.715 0.422 1.00 0.00 N ATOM 1119 CA GLU A 72 6.373 -11.611 1.171 1.00 0.00 C ATOM 1120 C GLU A 72 7.221 -12.464 0.228 1.00 0.00 C ATOM 1121 O GLU A 72 8.434 -12.564 0.393 1.00 0.00 O ATOM 1122 CB GLU A 72 5.541 -12.522 2.079 1.00 0.00 C ATOM 1123 CG GLU A 72 6.463 -13.306 3.021 1.00 0.00 C ATOM 1124 CD GLU A 72 7.063 -12.369 4.065 1.00 0.00 C ATOM 1125 OE1 GLU A 72 6.649 -11.224 4.111 1.00 0.00 O ATOM 1126 OE2 GLU A 72 7.926 -12.813 4.803 1.00 0.00 O ATOM 0 H GLU A 72 4.515 -10.966 0.432 1.00 0.00 H new ATOM 0 HA GLU A 72 7.038 -11.001 1.783 1.00 0.00 H new ATOM 0 HB2 GLU A 72 4.836 -11.926 2.659 1.00 0.00 H new ATOM 0 HB3 GLU A 72 4.953 -13.212 1.475 1.00 0.00 H new ATOM 0 HG2 GLU A 72 5.902 -14.101 3.513 1.00 0.00 H new ATOM 0 HG3 GLU A 72 7.259 -13.784 2.450 1.00 0.00 H new ATOM 1133 N LYS A 73 6.589 -13.093 -0.752 1.00 0.00 N ATOM 1134 CA LYS A 73 7.329 -13.941 -1.673 1.00 0.00 C ATOM 1135 C LYS A 73 8.390 -13.140 -2.420 1.00 0.00 C ATOM 1136 O LYS A 73 9.510 -13.611 -2.614 1.00 0.00 O ATOM 1137 CB LYS A 73 6.359 -14.591 -2.665 1.00 0.00 C ATOM 1138 CG LYS A 73 7.107 -15.592 -3.556 1.00 0.00 C ATOM 1139 CD LYS A 73 6.109 -16.443 -4.366 1.00 0.00 C ATOM 1140 CE LYS A 73 5.623 -15.671 -5.599 1.00 0.00 C ATOM 1141 NZ LYS A 73 6.717 -15.615 -6.608 1.00 0.00 N ATOM 0 H LYS A 73 5.586 -13.035 -0.928 1.00 0.00 H new ATOM 0 HA LYS A 73 7.836 -14.718 -1.101 1.00 0.00 H new ATOM 0 HB2 LYS A 73 5.561 -15.099 -2.125 1.00 0.00 H new ATOM 0 HB3 LYS A 73 5.889 -13.824 -3.281 1.00 0.00 H new ATOM 0 HG2 LYS A 73 7.773 -15.058 -4.234 1.00 0.00 H new ATOM 0 HG3 LYS A 73 7.731 -16.240 -2.941 1.00 0.00 H new ATOM 0 HD2 LYS A 73 6.584 -17.374 -4.676 1.00 0.00 H new ATOM 0 HD3 LYS A 73 5.259 -16.712 -3.739 1.00 0.00 H new ATOM 0 HE2 LYS A 73 4.745 -16.158 -6.024 1.00 0.00 H new ATOM 0 HE3 LYS A 73 5.322 -14.662 -5.315 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 6.313 -15.426 -7.548 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 7.382 -14.856 -6.357 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 7.221 -16.525 -6.625 1.00 0.00 H new ATOM 1155 N LEU A 74 8.029 -11.933 -2.849 1.00 0.00 N ATOM 1156 CA LEU A 74 8.951 -11.081 -3.593 1.00 0.00 C ATOM 1157 C LEU A 74 9.825 -10.202 -2.690 1.00 0.00 C ATOM 1158 O LEU A 74 11.001 -10.002 -2.988 1.00 0.00 O ATOM 1159 CB LEU A 74 8.158 -10.187 -4.548 1.00 0.00 C ATOM 1160 CG LEU A 74 7.577 -11.025 -5.700 1.00 0.00 C ATOM 1161 CD1 LEU A 74 6.617 -10.154 -6.518 1.00 0.00 C ATOM 1162 CD2 LEU A 74 8.706 -11.549 -6.617 1.00 0.00 C ATOM 0 H LEU A 74 7.107 -11.524 -2.694 1.00 0.00 H new ATOM 0 HA LEU A 74 9.621 -11.744 -4.141 1.00 0.00 H new ATOM 0 HB2 LEU A 74 7.352 -9.690 -4.008 1.00 0.00 H new ATOM 0 HB3 LEU A 74 8.804 -9.405 -4.947 1.00 0.00 H new ATOM 0 HG LEU A 74 7.045 -11.880 -5.282 1.00 0.00 H new ATOM 0 HD11 LEU A 74 6.201 -10.741 -7.337 1.00 0.00 H new ATOM 0 HD12 LEU A 74 5.809 -9.802 -5.877 1.00 0.00 H new ATOM 0 HD13 LEU A 74 7.157 -9.299 -6.923 1.00 0.00 H new ATOM 0 HD21 LEU A 74 8.274 -12.139 -7.425 1.00 0.00 H new ATOM 0 HD22 LEU A 74 9.255 -10.706 -7.037 1.00 0.00 H new ATOM 0 HD23 LEU A 74 9.386 -12.172 -6.037 1.00 0.00 H new ATOM 1174 N ALA A 75 9.249 -9.638 -1.624 1.00 0.00 N ATOM 1175 CA ALA A 75 10.010 -8.735 -0.738 1.00 0.00 C ATOM 1176 C ALA A 75 10.166 -9.276 0.682 1.00 0.00 C ATOM 1177 O ALA A 75 10.802 -8.628 1.516 1.00 0.00 O ATOM 1178 CB ALA A 75 9.309 -7.373 -0.685 1.00 0.00 C ATOM 0 H ALA A 75 8.277 -9.783 -1.352 1.00 0.00 H new ATOM 0 HA ALA A 75 11.012 -8.646 -1.157 1.00 0.00 H new ATOM 0 HB1 ALA A 75 9.867 -6.702 -0.032 1.00 0.00 H new ATOM 0 HB2 ALA A 75 9.263 -6.948 -1.688 1.00 0.00 H new ATOM 0 HB3 ALA A 75 8.298 -7.499 -0.298 1.00 0.00 H new ATOM 1184 N ASP A 76 9.612 -10.451 0.972 1.00 0.00 N ATOM 1185 CA ASP A 76 9.751 -11.001 2.318 1.00 0.00 C ATOM 1186 C ASP A 76 9.388 -9.939 3.351 1.00 0.00 C ATOM 1187 O ASP A 76 9.979 -9.873 4.428 1.00 0.00 O ATOM 1188 CB ASP A 76 11.191 -11.460 2.528 1.00 0.00 C ATOM 1189 CG ASP A 76 11.463 -12.711 1.700 1.00 0.00 C ATOM 1190 OD1 ASP A 76 10.508 -13.308 1.232 1.00 0.00 O ATOM 1191 OD2 ASP A 76 12.622 -13.053 1.542 1.00 0.00 O ATOM 0 H ASP A 76 9.080 -11.025 0.318 1.00 0.00 H new ATOM 0 HA ASP A 76 9.079 -11.851 2.435 1.00 0.00 H new ATOM 0 HB2 ASP A 76 11.880 -10.666 2.241 1.00 0.00 H new ATOM 0 HB3 ASP A 76 11.366 -11.667 3.584 1.00 0.00 H new ATOM 1196 N CYS A 77 8.425 -9.099 2.986 1.00 0.00 N ATOM 1197 CA CYS A 77 7.966 -8.003 3.840 1.00 0.00 C ATOM 1198 C CYS A 77 7.662 -8.458 5.274 1.00 0.00 C ATOM 1199 O CYS A 77 8.065 -9.537 5.708 1.00 0.00 O ATOM 1200 CB CYS A 77 6.711 -7.376 3.222 1.00 0.00 C ATOM 1201 SG CYS A 77 6.531 -5.671 3.803 1.00 0.00 S ATOM 0 H CYS A 77 7.939 -9.157 2.091 1.00 0.00 H new ATOM 0 HA CYS A 77 8.773 -7.273 3.900 1.00 0.00 H new ATOM 0 HB2 CYS A 77 6.782 -7.394 2.134 1.00 0.00 H new ATOM 0 HB3 CYS A 77 5.830 -7.958 3.494 1.00 0.00 H new ATOM 0 HG CYS A 77 5.269 -5.374 3.891 1.00 0.00 H new ATOM 1207 N ALA A 78 6.934 -7.607 5.993 1.00 0.00 N ATOM 1208 CA ALA A 78 6.549 -7.880 7.374 1.00 0.00 C ATOM 1209 C ALA A 78 5.170 -8.532 7.421 1.00 0.00 C ATOM 1210 O ALA A 78 4.499 -8.663 6.397 1.00 0.00 O ATOM 1211 CB ALA A 78 6.532 -6.570 8.170 1.00 0.00 C ATOM 0 H ALA A 78 6.596 -6.713 5.636 1.00 0.00 H new ATOM 0 HA ALA A 78 7.274 -8.564 7.815 1.00 0.00 H new ATOM 0 HB1 ALA A 78 6.244 -6.775 9.201 1.00 0.00 H new ATOM 0 HB2 ALA A 78 7.525 -6.121 8.153 1.00 0.00 H new ATOM 0 HB3 ALA A 78 5.815 -5.882 7.723 1.00 0.00 H new ATOM 1217 N GLN A 79 4.750 -8.939 8.619 1.00 0.00 N ATOM 1218 CA GLN A 79 3.444 -9.579 8.807 1.00 0.00 C ATOM 1219 C GLN A 79 2.680 -8.868 9.915 1.00 0.00 C ATOM 1220 O GLN A 79 2.036 -9.505 10.747 1.00 0.00 O ATOM 1221 CB GLN A 79 3.647 -11.043 9.199 1.00 0.00 C ATOM 1222 CG GLN A 79 4.272 -11.795 8.028 1.00 0.00 C ATOM 1223 CD GLN A 79 4.543 -13.245 8.419 1.00 0.00 C ATOM 1224 OE1 GLN A 79 3.679 -13.903 9.000 1.00 0.00 O ATOM 1225 NE2 GLN A 79 5.695 -13.785 8.134 1.00 0.00 N ATOM 0 H GLN A 79 5.294 -8.838 9.476 1.00 0.00 H new ATOM 0 HA GLN A 79 2.878 -9.520 7.877 1.00 0.00 H new ATOM 0 HB2 GLN A 79 4.291 -11.111 10.076 1.00 0.00 H new ATOM 0 HB3 GLN A 79 2.693 -11.495 9.469 1.00 0.00 H new ATOM 0 HG2 GLN A 79 3.605 -11.761 7.167 1.00 0.00 H new ATOM 0 HG3 GLN A 79 5.202 -11.311 7.730 1.00 0.00 H new ATOM 0 HE21 GLN A 79 6.409 -13.239 7.653 1.00 0.00 H new ATOM 0 HE22 GLN A 79 5.882 -14.754 8.392 1.00 0.00 H new ATOM 1234 N LEU A 80 2.770 -7.545 9.926 1.00 0.00 N ATOM 1235 CA LEU A 80 2.103 -6.746 10.950 1.00 0.00 C ATOM 1236 C LEU A 80 0.582 -6.745 10.768 1.00 0.00 C ATOM 1237 O LEU A 80 -0.156 -6.536 11.732 1.00 0.00 O ATOM 1238 CB LEU A 80 2.590 -5.290 10.897 1.00 0.00 C ATOM 1239 CG LEU A 80 4.105 -5.225 10.682 1.00 0.00 C ATOM 1240 CD1 LEU A 80 4.544 -3.764 10.725 1.00 0.00 C ATOM 1241 CD2 LEU A 80 4.838 -5.999 11.773 1.00 0.00 C ATOM 0 H LEU A 80 3.296 -7.002 9.241 1.00 0.00 H new ATOM 0 HA LEU A 80 2.349 -7.197 11.911 1.00 0.00 H new ATOM 0 HB2 LEU A 80 2.082 -4.762 10.090 1.00 0.00 H new ATOM 0 HB3 LEU A 80 2.329 -4.781 11.825 1.00 0.00 H new ATOM 0 HG LEU A 80 4.346 -5.670 9.717 1.00 0.00 H new ATOM 0 HD11 LEU A 80 5.622 -3.703 10.573 1.00 0.00 H new ATOM 0 HD12 LEU A 80 4.035 -3.208 9.938 1.00 0.00 H new ATOM 0 HD13 LEU A 80 4.290 -3.336 11.695 1.00 0.00 H new ATOM 0 HD21 LEU A 80 5.913 -5.940 11.601 1.00 0.00 H new ATOM 0 HD22 LEU A 80 4.602 -5.568 12.746 1.00 0.00 H new ATOM 0 HD23 LEU A 80 4.524 -7.043 11.752 1.00 0.00 H new ATOM 1253 N LEU A 81 0.112 -6.941 9.529 1.00 0.00 N ATOM 1254 CA LEU A 81 -1.339 -6.918 9.241 1.00 0.00 C ATOM 1255 C LEU A 81 -1.861 -8.282 8.790 1.00 0.00 C ATOM 1256 O LEU A 81 -1.199 -9.004 8.045 1.00 0.00 O ATOM 1257 CB LEU A 81 -1.654 -5.894 8.126 1.00 0.00 C ATOM 1258 CG LEU A 81 -0.716 -4.694 8.221 1.00 0.00 C ATOM 1259 CD1 LEU A 81 -0.971 -3.746 7.048 1.00 0.00 C ATOM 1260 CD2 LEU A 81 -0.972 -3.950 9.525 1.00 0.00 C ATOM 0 H LEU A 81 0.702 -7.116 8.715 1.00 0.00 H new ATOM 0 HA LEU A 81 -1.833 -6.640 10.172 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -1.550 -6.367 7.150 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -2.689 -5.562 8.211 1.00 0.00 H new ATOM 0 HG LEU A 81 0.316 -5.044 8.192 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -0.300 -2.890 7.119 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -0.791 -4.271 6.110 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -2.004 -3.400 7.078 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -0.302 -3.093 9.593 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -2.006 -3.605 9.550 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -0.792 -4.619 10.367 1.00 0.00 H new ATOM 1272 N GLU A 82 -3.075 -8.605 9.238 1.00 0.00 N ATOM 1273 CA GLU A 82 -3.730 -9.861 8.878 1.00 0.00 C ATOM 1274 C GLU A 82 -4.922 -9.590 7.967 1.00 0.00 C ATOM 1275 O GLU A 82 -5.627 -8.595 8.126 1.00 0.00 O ATOM 1276 CB GLU A 82 -4.191 -10.583 10.142 1.00 0.00 C ATOM 1277 CG GLU A 82 -2.964 -11.029 10.940 1.00 0.00 C ATOM 1278 CD GLU A 82 -2.199 -12.104 10.171 1.00 0.00 C ATOM 1279 OE1 GLU A 82 -2.805 -13.105 9.830 1.00 0.00 O ATOM 1280 OE2 GLU A 82 -1.021 -11.902 9.924 1.00 0.00 O ATOM 0 H GLU A 82 -3.627 -8.009 9.855 1.00 0.00 H new ATOM 0 HA GLU A 82 -3.019 -10.492 8.345 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -4.813 -9.923 10.746 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -4.803 -11.446 9.880 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -2.314 -10.175 11.130 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -3.273 -11.416 11.911 1.00 0.00 H new ATOM 1287 N VAL A 83 -5.123 -10.477 7.002 1.00 0.00 N ATOM 1288 CA VAL A 83 -6.205 -10.334 6.037 1.00 0.00 C ATOM 1289 C VAL A 83 -7.561 -10.219 6.733 1.00 0.00 C ATOM 1290 O VAL A 83 -8.339 -9.308 6.452 1.00 0.00 O ATOM 1291 CB VAL A 83 -6.195 -11.582 5.143 1.00 0.00 C ATOM 1292 CG1 VAL A 83 -7.459 -11.628 4.269 1.00 0.00 C ATOM 1293 CG2 VAL A 83 -4.933 -11.579 4.269 1.00 0.00 C ATOM 0 H VAL A 83 -4.547 -11.308 6.866 1.00 0.00 H new ATOM 0 HA VAL A 83 -6.055 -9.425 5.455 1.00 0.00 H new ATOM 0 HB VAL A 83 -6.188 -12.472 5.773 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -7.435 -12.519 3.642 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -8.342 -11.657 4.907 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -7.497 -10.740 3.637 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -4.927 -12.466 3.635 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -4.925 -10.686 3.644 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -4.049 -11.583 4.907 1.00 0.00 H new ATOM 1303 N ASP A 84 -7.845 -11.166 7.612 1.00 0.00 N ATOM 1304 CA ASP A 84 -9.122 -11.184 8.311 1.00 0.00 C ATOM 1305 C ASP A 84 -9.365 -9.873 9.047 1.00 0.00 C ATOM 1306 O ASP A 84 -10.454 -9.302 8.970 1.00 0.00 O ATOM 1307 CB ASP A 84 -9.134 -12.337 9.310 1.00 0.00 C ATOM 1308 CG ASP A 84 -9.179 -13.664 8.560 1.00 0.00 C ATOM 1309 OD1 ASP A 84 -9.390 -13.636 7.358 1.00 0.00 O ATOM 1310 OD2 ASP A 84 -8.998 -14.688 9.197 1.00 0.00 O ATOM 0 H ASP A 84 -7.214 -11.928 7.858 1.00 0.00 H new ATOM 0 HA ASP A 84 -9.916 -11.315 7.575 1.00 0.00 H new ATOM 0 HB2 ASP A 84 -8.246 -12.294 9.941 1.00 0.00 H new ATOM 0 HB3 ASP A 84 -9.998 -12.251 9.969 1.00 0.00 H new ATOM 1315 N ASP A 85 -8.353 -9.393 9.759 1.00 0.00 N ATOM 1316 CA ASP A 85 -8.482 -8.146 10.497 1.00 0.00 C ATOM 1317 C ASP A 85 -8.760 -6.995 9.539 1.00 0.00 C ATOM 1318 O ASP A 85 -9.627 -6.160 9.791 1.00 0.00 O ATOM 1319 CB ASP A 85 -7.193 -7.870 11.266 1.00 0.00 C ATOM 1320 CG ASP A 85 -7.055 -8.856 12.421 1.00 0.00 C ATOM 1321 OD1 ASP A 85 -8.035 -9.510 12.735 1.00 0.00 O ATOM 1322 OD2 ASP A 85 -5.970 -8.945 12.970 1.00 0.00 O ATOM 0 H ASP A 85 -7.442 -9.845 9.840 1.00 0.00 H new ATOM 0 HA ASP A 85 -9.313 -8.234 11.197 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -6.336 -7.957 10.598 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -7.198 -6.849 11.647 1.00 0.00 H new ATOM 1327 N MET A 86 -8.023 -6.963 8.436 1.00 0.00 N ATOM 1328 CA MET A 86 -8.206 -5.913 7.445 1.00 0.00 C ATOM 1329 C MET A 86 -9.612 -5.999 6.870 1.00 0.00 C ATOM 1330 O MET A 86 -10.305 -4.993 6.718 1.00 0.00 O ATOM 1331 CB MET A 86 -7.187 -6.103 6.311 1.00 0.00 C ATOM 1332 CG MET A 86 -5.770 -5.670 6.761 1.00 0.00 C ATOM 1333 SD MET A 86 -4.880 -4.953 5.361 1.00 0.00 S ATOM 1334 CE MET A 86 -5.360 -3.237 5.665 1.00 0.00 C ATOM 0 H MET A 86 -7.300 -7.645 8.207 1.00 0.00 H new ATOM 0 HA MET A 86 -8.060 -4.940 7.914 1.00 0.00 H new ATOM 0 HB2 MET A 86 -7.171 -7.148 6.003 1.00 0.00 H new ATOM 0 HB3 MET A 86 -7.491 -5.519 5.442 1.00 0.00 H new ATOM 0 HG2 MET A 86 -5.841 -4.943 7.570 1.00 0.00 H new ATOM 0 HG3 MET A 86 -5.223 -6.529 7.151 1.00 0.00 H new ATOM 0 HE1 MET A 86 -5.300 -2.672 4.735 1.00 0.00 H new ATOM 0 HE2 MET A 86 -6.382 -3.207 6.043 1.00 0.00 H new ATOM 0 HE3 MET A 86 -4.688 -2.796 6.401 1.00 0.00 H new ATOM 1344 N VAL A 87 -10.014 -7.219 6.563 1.00 0.00 N ATOM 1345 CA VAL A 87 -11.331 -7.482 6.014 1.00 0.00 C ATOM 1346 C VAL A 87 -12.410 -7.265 7.067 1.00 0.00 C ATOM 1347 O VAL A 87 -13.476 -6.726 6.774 1.00 0.00 O ATOM 1348 CB VAL A 87 -11.386 -8.914 5.485 1.00 0.00 C ATOM 1349 CG1 VAL A 87 -12.810 -9.248 5.034 1.00 0.00 C ATOM 1350 CG2 VAL A 87 -10.427 -9.048 4.299 1.00 0.00 C ATOM 0 H VAL A 87 -9.439 -8.052 6.687 1.00 0.00 H new ATOM 0 HA VAL A 87 -11.516 -6.787 5.195 1.00 0.00 H new ATOM 0 HB VAL A 87 -11.093 -9.605 6.276 1.00 0.00 H new ATOM 0 HG11 VAL A 87 -12.842 -10.271 4.658 1.00 0.00 H new ATOM 0 HG12 VAL A 87 -13.492 -9.151 5.879 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -13.112 -8.561 4.243 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -10.461 -10.068 3.917 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -10.723 -8.355 3.511 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -9.413 -8.816 4.623 1.00 0.00 H new ATOM 1360 N ARG A 88 -12.133 -7.699 8.296 1.00 0.00 N ATOM 1361 CA ARG A 88 -13.082 -7.558 9.384 1.00 0.00 C ATOM 1362 C ARG A 88 -13.209 -6.110 9.847 1.00 0.00 C ATOM 1363 O ARG A 88 -14.314 -5.594 10.013 1.00 0.00 O ATOM 1364 CB ARG A 88 -12.608 -8.436 10.551 1.00 0.00 C ATOM 1365 CG ARG A 88 -13.445 -8.154 11.798 1.00 0.00 C ATOM 1366 CD ARG A 88 -13.111 -9.165 12.892 1.00 0.00 C ATOM 1367 NE ARG A 88 -11.730 -9.000 13.325 1.00 0.00 N ATOM 1368 CZ ARG A 88 -11.158 -9.872 14.147 1.00 0.00 C ATOM 1369 NH1 ARG A 88 -11.318 -11.153 13.950 1.00 0.00 N ATOM 1370 NH2 ARG A 88 -10.440 -9.451 15.150 1.00 0.00 N ATOM 0 H ARG A 88 -11.256 -8.151 8.557 1.00 0.00 H new ATOM 0 HA ARG A 88 -14.065 -7.871 9.033 1.00 0.00 H new ATOM 0 HB2 ARG A 88 -12.689 -9.489 10.280 1.00 0.00 H new ATOM 0 HB3 ARG A 88 -11.556 -8.241 10.759 1.00 0.00 H new ATOM 0 HG2 ARG A 88 -13.251 -7.143 12.155 1.00 0.00 H new ATOM 0 HG3 ARG A 88 -14.506 -8.208 11.554 1.00 0.00 H new ATOM 0 HD2 ARG A 88 -13.784 -9.031 13.739 1.00 0.00 H new ATOM 0 HD3 ARG A 88 -13.265 -10.178 12.520 1.00 0.00 H new ATOM 0 HE ARG A 88 -11.193 -8.200 12.991 1.00 0.00 H new ATOM 0 HH11 ARG A 88 -11.881 -11.482 13.166 1.00 0.00 H new ATOM 0 HH12 ARG A 88 -10.880 -11.825 14.580 1.00 0.00 H new ATOM 0 HH21 ARG A 88 -10.317 -8.450 15.304 1.00 0.00 H new ATOM 0 HH22 ARG A 88 -10.001 -10.122 15.780 1.00 0.00 H new ATOM 1384 N LEU A 89 -12.071 -5.470 10.075 1.00 0.00 N ATOM 1385 CA LEU A 89 -12.077 -4.092 10.539 1.00 0.00 C ATOM 1386 C LEU A 89 -12.627 -3.172 9.459 1.00 0.00 C ATOM 1387 O LEU A 89 -13.481 -2.323 9.722 1.00 0.00 O ATOM 1388 CB LEU A 89 -10.651 -3.660 10.901 1.00 0.00 C ATOM 1389 CG LEU A 89 -10.145 -4.442 12.126 1.00 0.00 C ATOM 1390 CD1 LEU A 89 -8.648 -4.175 12.310 1.00 0.00 C ATOM 1391 CD2 LEU A 89 -10.900 -4.006 13.398 1.00 0.00 C ATOM 0 H LEU A 89 -11.144 -5.877 9.948 1.00 0.00 H new ATOM 0 HA LEU A 89 -12.714 -4.024 11.421 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -9.987 -3.831 10.054 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -10.631 -2.591 11.111 1.00 0.00 H new ATOM 0 HG LEU A 89 -10.320 -5.505 11.962 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -8.284 -4.727 13.177 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -8.108 -4.500 11.420 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -8.485 -3.108 12.464 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -10.528 -4.570 14.253 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -10.741 -2.941 13.569 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -11.966 -4.198 13.272 1.00 0.00 H new ATOM 1403 N ALA A 90 -12.089 -3.319 8.255 1.00 0.00 N ATOM 1404 CA ALA A 90 -12.490 -2.464 7.149 1.00 0.00 C ATOM 1405 C ALA A 90 -12.229 -1.025 7.568 1.00 0.00 C ATOM 1406 O ALA A 90 -12.852 -0.082 7.084 1.00 0.00 O ATOM 1407 CB ALA A 90 -13.971 -2.669 6.814 1.00 0.00 C ATOM 0 H ALA A 90 -11.381 -4.015 8.022 1.00 0.00 H new ATOM 0 HA ALA A 90 -11.920 -2.710 6.253 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -14.250 -2.020 5.984 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -14.140 -3.709 6.534 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -14.578 -2.425 7.685 1.00 0.00 H new ATOM 1413 N VAL A 91 -11.278 -0.901 8.494 1.00 0.00 N ATOM 1414 CA VAL A 91 -10.867 0.385 9.044 1.00 0.00 C ATOM 1415 C VAL A 91 -9.459 0.266 9.638 1.00 0.00 C ATOM 1416 O VAL A 91 -9.274 0.481 10.834 1.00 0.00 O ATOM 1417 CB VAL A 91 -11.836 0.831 10.158 1.00 0.00 C ATOM 1418 CG1 VAL A 91 -11.345 2.161 10.797 1.00 0.00 C ATOM 1419 CG2 VAL A 91 -13.243 1.035 9.573 1.00 0.00 C ATOM 0 H VAL A 91 -10.770 -1.695 8.884 1.00 0.00 H new ATOM 0 HA VAL A 91 -10.876 1.121 8.240 1.00 0.00 H new ATOM 0 HB VAL A 91 -11.868 0.057 10.925 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -12.038 2.465 11.582 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -10.353 2.015 11.225 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -11.300 2.937 10.033 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -13.924 1.350 10.364 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -13.207 1.801 8.798 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -13.597 0.099 9.141 1.00 0.00 H new ATOM 1429 N PRO A 92 -8.469 -0.090 8.851 1.00 0.00 N ATOM 1430 CA PRO A 92 -7.073 -0.236 9.355 1.00 0.00 C ATOM 1431 C PRO A 92 -6.671 0.957 10.229 1.00 0.00 C ATOM 1432 O PRO A 92 -7.467 1.859 10.482 1.00 0.00 O ATOM 1433 CB PRO A 92 -6.195 -0.317 8.081 1.00 0.00 C ATOM 1434 CG PRO A 92 -7.134 -0.192 6.908 1.00 0.00 C ATOM 1435 CD PRO A 92 -8.560 -0.412 7.423 1.00 0.00 C ATOM 0 HA PRO A 92 -6.958 -1.117 9.986 1.00 0.00 H new ATOM 0 HB2 PRO A 92 -5.452 0.480 8.070 1.00 0.00 H new ATOM 0 HB3 PRO A 92 -5.651 -1.261 8.044 1.00 0.00 H new ATOM 0 HG2 PRO A 92 -7.042 0.792 6.448 1.00 0.00 H new ATOM 0 HG3 PRO A 92 -6.887 -0.927 6.141 1.00 0.00 H new ATOM 0 HD2 PRO A 92 -9.274 0.234 6.912 1.00 0.00 H new ATOM 0 HD3 PRO A 92 -8.889 -1.439 7.265 1.00 0.00 H new ATOM 1443 N ASP A 93 -5.422 0.954 10.674 1.00 0.00 N ATOM 1444 CA ASP A 93 -4.905 2.036 11.508 1.00 0.00 C ATOM 1445 C ASP A 93 -3.765 2.758 10.793 1.00 0.00 C ATOM 1446 O ASP A 93 -2.840 2.135 10.274 1.00 0.00 O ATOM 1447 CB ASP A 93 -4.447 1.468 12.852 1.00 0.00 C ATOM 1448 CG ASP A 93 -5.645 0.903 13.605 1.00 0.00 C ATOM 1449 OD1 ASP A 93 -6.656 1.583 13.666 1.00 0.00 O ATOM 1450 OD2 ASP A 93 -5.534 -0.202 14.108 1.00 0.00 O ATOM 0 H ASP A 93 -4.747 0.216 10.473 1.00 0.00 H new ATOM 0 HA ASP A 93 -5.694 2.765 11.691 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -3.703 0.687 12.693 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -3.968 2.248 13.444 1.00 0.00 H new ATOM 1455 N SER A 94 -3.859 4.080 10.748 1.00 0.00 N ATOM 1456 CA SER A 94 -2.857 4.893 10.070 1.00 0.00 C ATOM 1457 C SER A 94 -1.450 4.508 10.504 1.00 0.00 C ATOM 1458 O SER A 94 -0.509 4.559 9.713 1.00 0.00 O ATOM 1459 CB SER A 94 -3.094 6.368 10.382 1.00 0.00 C ATOM 1460 OG SER A 94 -1.932 7.113 10.040 1.00 0.00 O ATOM 0 H SER A 94 -4.618 4.613 11.173 1.00 0.00 H new ATOM 0 HA SER A 94 -2.949 4.718 8.998 1.00 0.00 H new ATOM 0 HB2 SER A 94 -3.954 6.736 9.823 1.00 0.00 H new ATOM 0 HB3 SER A 94 -3.324 6.496 11.440 1.00 0.00 H new ATOM 0 HG SER A 94 -2.081 8.061 10.238 1.00 0.00 H new ATOM 1466 N LYS A 95 -1.320 4.106 11.756 1.00 0.00 N ATOM 1467 CA LYS A 95 -0.026 3.695 12.279 1.00 0.00 C ATOM 1468 C LYS A 95 0.344 2.312 11.767 1.00 0.00 C ATOM 1469 O LYS A 95 1.516 2.015 11.545 1.00 0.00 O ATOM 1470 CB LYS A 95 -0.056 3.677 13.807 1.00 0.00 C ATOM 1471 CG LYS A 95 -1.312 2.954 14.292 1.00 0.00 C ATOM 1472 CD LYS A 95 -1.308 2.890 15.819 1.00 0.00 C ATOM 1473 CE LYS A 95 -2.575 2.187 16.313 1.00 0.00 C ATOM 1474 NZ LYS A 95 -2.541 2.100 17.801 1.00 0.00 N ATOM 0 H LYS A 95 -2.087 4.055 12.426 1.00 0.00 H new ATOM 0 HA LYS A 95 0.721 4.412 11.938 1.00 0.00 H new ATOM 0 HB2 LYS A 95 0.833 3.178 14.191 1.00 0.00 H new ATOM 0 HB3 LYS A 95 -0.041 4.697 14.192 1.00 0.00 H new ATOM 0 HG2 LYS A 95 -2.203 3.476 13.942 1.00 0.00 H new ATOM 0 HG3 LYS A 95 -1.348 1.947 13.876 1.00 0.00 H new ATOM 0 HD2 LYS A 95 -0.425 2.354 16.167 1.00 0.00 H new ATOM 0 HD3 LYS A 95 -1.254 3.896 16.234 1.00 0.00 H new ATOM 0 HE2 LYS A 95 -3.459 2.736 15.989 1.00 0.00 H new ATOM 0 HE3 LYS A 95 -2.643 1.189 15.880 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 -3.400 1.623 18.141 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 -1.704 1.559 18.098 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 -2.495 3.058 18.204 1.00 0.00 H new ATOM 1488 N CYS A 96 -0.665 1.470 11.578 1.00 0.00 N ATOM 1489 CA CYS A 96 -0.433 0.112 11.088 1.00 0.00 C ATOM 1490 C CYS A 96 0.066 0.143 9.648 1.00 0.00 C ATOM 1491 O CYS A 96 1.107 -0.431 9.327 1.00 0.00 O ATOM 1492 CB CYS A 96 -1.729 -0.701 11.164 1.00 0.00 C ATOM 1493 SG CYS A 96 -1.934 -1.358 12.836 1.00 0.00 S ATOM 0 H CYS A 96 -1.644 1.698 11.754 1.00 0.00 H new ATOM 0 HA CYS A 96 0.326 -0.356 11.715 1.00 0.00 H new ATOM 0 HB2 CYS A 96 -2.580 -0.073 10.902 1.00 0.00 H new ATOM 0 HB3 CYS A 96 -1.701 -1.517 10.442 1.00 0.00 H new ATOM 0 HG CYS A 96 -3.035 -2.046 12.900 1.00 0.00 H new ATOM 1499 N VAL A 97 -0.687 0.823 8.791 1.00 0.00 N ATOM 1500 CA VAL A 97 -0.320 0.935 7.389 1.00 0.00 C ATOM 1501 C VAL A 97 1.022 1.626 7.277 1.00 0.00 C ATOM 1502 O VAL A 97 1.895 1.206 6.523 1.00 0.00 O ATOM 1503 CB VAL A 97 -1.361 1.763 6.635 1.00 0.00 C ATOM 1504 CG1 VAL A 97 -0.931 1.928 5.177 1.00 0.00 C ATOM 1505 CG2 VAL A 97 -2.720 1.065 6.696 1.00 0.00 C ATOM 0 H VAL A 97 -1.551 1.302 9.043 1.00 0.00 H new ATOM 0 HA VAL A 97 -0.269 -0.065 6.958 1.00 0.00 H new ATOM 0 HB VAL A 97 -1.442 2.746 7.099 1.00 0.00 H new ATOM 0 HG11 VAL A 97 -1.675 2.519 4.643 1.00 0.00 H new ATOM 0 HG12 VAL A 97 0.032 2.436 5.137 1.00 0.00 H new ATOM 0 HG13 VAL A 97 -0.843 0.947 4.710 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -3.459 1.659 6.157 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -2.643 0.079 6.238 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -3.028 0.959 7.736 1.00 0.00 H new ATOM 1515 N TYR A 98 1.177 2.695 8.043 1.00 0.00 N ATOM 1516 CA TYR A 98 2.411 3.450 8.033 1.00 0.00 C ATOM 1517 C TYR A 98 3.575 2.556 8.427 1.00 0.00 C ATOM 1518 O TYR A 98 4.595 2.517 7.744 1.00 0.00 O ATOM 1519 CB TYR A 98 2.298 4.611 9.029 1.00 0.00 C ATOM 1520 CG TYR A 98 3.642 5.274 9.196 1.00 0.00 C ATOM 1521 CD1 TYR A 98 4.598 4.701 10.045 1.00 0.00 C ATOM 1522 CD2 TYR A 98 3.934 6.450 8.503 1.00 0.00 C ATOM 1523 CE1 TYR A 98 5.850 5.302 10.199 1.00 0.00 C ATOM 1524 CE2 TYR A 98 5.192 7.057 8.663 1.00 0.00 C ATOM 1525 CZ TYR A 98 6.146 6.481 9.510 1.00 0.00 C ATOM 1526 OH TYR A 98 7.384 7.072 9.657 1.00 0.00 O ATOM 0 H TYR A 98 0.463 3.055 8.676 1.00 0.00 H new ATOM 0 HA TYR A 98 2.587 3.837 7.029 1.00 0.00 H new ATOM 0 HB2 TYR A 98 1.566 5.337 8.674 1.00 0.00 H new ATOM 0 HB3 TYR A 98 1.942 4.243 9.991 1.00 0.00 H new ATOM 0 HD1 TYR A 98 4.367 3.793 10.582 1.00 0.00 H new ATOM 0 HD2 TYR A 98 3.198 6.891 7.848 1.00 0.00 H new ATOM 0 HE1 TYR A 98 6.588 4.856 10.850 1.00 0.00 H new ATOM 0 HE2 TYR A 98 5.423 7.969 8.132 1.00 0.00 H new ATOM 0 HH TYR A 98 7.426 7.883 9.109 1.00 0.00 H new ATOM 1536 N THR A 99 3.418 1.851 9.536 1.00 0.00 N ATOM 1537 CA THR A 99 4.473 0.977 10.015 1.00 0.00 C ATOM 1538 C THR A 99 4.807 -0.057 8.949 1.00 0.00 C ATOM 1539 O THR A 99 5.979 -0.319 8.666 1.00 0.00 O ATOM 1540 CB THR A 99 4.028 0.268 11.297 1.00 0.00 C ATOM 1541 OG1 THR A 99 3.678 1.238 12.274 1.00 0.00 O ATOM 1542 CG2 THR A 99 5.180 -0.585 11.830 1.00 0.00 C ATOM 0 H THR A 99 2.579 1.867 10.115 1.00 0.00 H new ATOM 0 HA THR A 99 5.358 1.576 10.229 1.00 0.00 H new ATOM 0 HB THR A 99 3.168 -0.366 11.082 1.00 0.00 H new ATOM 0 HG1 THR A 99 2.709 1.384 12.258 1.00 0.00 H new ATOM 0 HG21 THR A 99 4.866 -1.091 12.743 1.00 0.00 H new ATOM 0 HG22 THR A 99 5.460 -1.327 11.082 1.00 0.00 H new ATOM 0 HG23 THR A 99 6.036 0.054 12.046 1.00 0.00 H new ATOM 1550 N TYR A 100 3.774 -0.632 8.344 1.00 0.00 N ATOM 1551 CA TYR A 100 3.968 -1.626 7.300 1.00 0.00 C ATOM 1552 C TYR A 100 4.715 -1.010 6.125 1.00 0.00 C ATOM 1553 O TYR A 100 5.701 -1.559 5.635 1.00 0.00 O ATOM 1554 CB TYR A 100 2.602 -2.091 6.812 1.00 0.00 C ATOM 1555 CG TYR A 100 2.776 -3.259 5.881 1.00 0.00 C ATOM 1556 CD1 TYR A 100 3.044 -3.041 4.528 1.00 0.00 C ATOM 1557 CD2 TYR A 100 2.663 -4.561 6.372 1.00 0.00 C ATOM 1558 CE1 TYR A 100 3.197 -4.129 3.660 1.00 0.00 C ATOM 1559 CE2 TYR A 100 2.817 -5.650 5.509 1.00 0.00 C ATOM 1560 CZ TYR A 100 3.084 -5.434 4.152 1.00 0.00 C ATOM 1561 OH TYR A 100 3.235 -6.508 3.299 1.00 0.00 O ATOM 0 H TYR A 100 2.798 -0.427 8.559 1.00 0.00 H new ATOM 0 HA TYR A 100 4.544 -2.461 7.699 1.00 0.00 H new ATOM 0 HB2 TYR A 100 1.979 -2.377 7.659 1.00 0.00 H new ATOM 0 HB3 TYR A 100 2.090 -1.277 6.300 1.00 0.00 H new ATOM 0 HD1 TYR A 100 3.133 -2.033 4.151 1.00 0.00 H new ATOM 0 HD2 TYR A 100 2.457 -4.727 7.419 1.00 0.00 H new ATOM 0 HE1 TYR A 100 3.402 -3.961 2.613 1.00 0.00 H new ATOM 0 HE2 TYR A 100 2.730 -6.657 5.889 1.00 0.00 H new ATOM 0 HH TYR A 100 3.366 -7.326 3.823 1.00 0.00 H new ATOM 1571 N ILE A 101 4.218 0.143 5.689 1.00 0.00 N ATOM 1572 CA ILE A 101 4.813 0.865 4.574 1.00 0.00 C ATOM 1573 C ILE A 101 6.247 1.242 4.930 1.00 0.00 C ATOM 1574 O ILE A 101 7.157 1.148 4.106 1.00 0.00 O ATOM 1575 CB ILE A 101 3.991 2.133 4.274 1.00 0.00 C ATOM 1576 CG1 ILE A 101 2.606 1.747 3.705 1.00 0.00 C ATOM 1577 CG2 ILE A 101 4.737 3.026 3.273 1.00 0.00 C ATOM 1578 CD1 ILE A 101 2.676 1.384 2.209 1.00 0.00 C ATOM 0 H ILE A 101 3.400 0.598 6.095 1.00 0.00 H new ATOM 0 HA ILE A 101 4.815 0.232 3.687 1.00 0.00 H new ATOM 0 HB ILE A 101 3.852 2.686 5.203 1.00 0.00 H new ATOM 0 HG12 ILE A 101 2.207 0.901 4.265 1.00 0.00 H new ATOM 0 HG13 ILE A 101 1.913 2.577 3.844 1.00 0.00 H new ATOM 0 HG21 ILE A 101 4.145 3.918 3.070 1.00 0.00 H new ATOM 0 HG22 ILE A 101 5.700 3.317 3.692 1.00 0.00 H new ATOM 0 HG23 ILE A 101 4.897 2.477 2.345 1.00 0.00 H new ATOM 0 HD11 ILE A 101 1.681 1.120 1.852 1.00 0.00 H new ATOM 0 HD12 ILE A 101 3.049 2.238 1.644 1.00 0.00 H new ATOM 0 HD13 ILE A 101 3.348 0.537 2.071 1.00 0.00 H new ATOM 1590 N GLN A 102 6.427 1.665 6.176 1.00 0.00 N ATOM 1591 CA GLN A 102 7.741 2.056 6.669 1.00 0.00 C ATOM 1592 C GLN A 102 8.781 0.990 6.344 1.00 0.00 C ATOM 1593 O GLN A 102 9.747 1.247 5.620 1.00 0.00 O ATOM 1594 CB GLN A 102 7.694 2.240 8.188 1.00 0.00 C ATOM 1595 CG GLN A 102 8.912 3.045 8.644 1.00 0.00 C ATOM 1596 CD GLN A 102 8.897 3.207 10.160 1.00 0.00 C ATOM 1597 OE1 GLN A 102 9.797 3.827 10.726 1.00 0.00 O ATOM 1598 NE2 GLN A 102 7.925 2.683 10.854 1.00 0.00 N ATOM 0 H GLN A 102 5.678 1.746 6.864 1.00 0.00 H new ATOM 0 HA GLN A 102 8.017 2.991 6.183 1.00 0.00 H new ATOM 0 HB2 GLN A 102 6.777 2.755 8.474 1.00 0.00 H new ATOM 0 HB3 GLN A 102 7.681 1.269 8.682 1.00 0.00 H new ATOM 0 HG2 GLN A 102 9.827 2.541 8.334 1.00 0.00 H new ATOM 0 HG3 GLN A 102 8.910 4.025 8.166 1.00 0.00 H new ATOM 0 HE21 GLN A 102 7.180 2.170 10.382 1.00 0.00 H new ATOM 0 HE22 GLN A 102 7.909 2.787 11.869 1.00 0.00 H new ATOM 1607 N GLU A 103 8.589 -0.199 6.911 1.00 0.00 N ATOM 1608 CA GLU A 103 9.533 -1.280 6.694 1.00 0.00 C ATOM 1609 C GLU A 103 9.655 -1.570 5.206 1.00 0.00 C ATOM 1610 O GLU A 103 10.757 -1.746 4.679 1.00 0.00 O ATOM 1611 CB GLU A 103 9.069 -2.525 7.448 1.00 0.00 C ATOM 1612 CG GLU A 103 10.112 -3.631 7.299 1.00 0.00 C ATOM 1613 CD GLU A 103 9.769 -4.792 8.224 1.00 0.00 C ATOM 1614 OE1 GLU A 103 8.945 -4.597 9.104 1.00 0.00 O ATOM 1615 OE2 GLU A 103 10.336 -5.856 8.044 1.00 0.00 O ATOM 0 H GLU A 103 7.800 -0.431 7.514 1.00 0.00 H new ATOM 0 HA GLU A 103 10.513 -0.987 7.070 1.00 0.00 H new ATOM 0 HB2 GLU A 103 8.921 -2.290 8.502 1.00 0.00 H new ATOM 0 HB3 GLU A 103 8.108 -2.862 7.058 1.00 0.00 H new ATOM 0 HG2 GLU A 103 10.145 -3.975 6.265 1.00 0.00 H new ATOM 0 HG3 GLU A 103 11.103 -3.244 7.538 1.00 0.00 H new ATOM 1622 N LEU A 104 8.516 -1.612 4.535 1.00 0.00 N ATOM 1623 CA LEU A 104 8.482 -1.878 3.106 1.00 0.00 C ATOM 1624 C LEU A 104 9.246 -0.816 2.339 1.00 0.00 C ATOM 1625 O LEU A 104 10.013 -1.125 1.432 1.00 0.00 O ATOM 1626 CB LEU A 104 7.025 -1.846 2.659 1.00 0.00 C ATOM 1627 CG LEU A 104 6.888 -2.123 1.152 1.00 0.00 C ATOM 1628 CD1 LEU A 104 7.288 -3.567 0.840 1.00 0.00 C ATOM 1629 CD2 LEU A 104 5.430 -1.894 0.742 1.00 0.00 C ATOM 0 H LEU A 104 7.600 -1.465 4.958 1.00 0.00 H new ATOM 0 HA LEU A 104 8.941 -2.847 2.909 1.00 0.00 H new ATOM 0 HB2 LEU A 104 6.456 -2.588 3.219 1.00 0.00 H new ATOM 0 HB3 LEU A 104 6.594 -0.872 2.891 1.00 0.00 H new ATOM 0 HG LEU A 104 7.545 -1.453 0.597 1.00 0.00 H new ATOM 0 HD11 LEU A 104 7.186 -3.750 -0.230 1.00 0.00 H new ATOM 0 HD12 LEU A 104 8.323 -3.731 1.139 1.00 0.00 H new ATOM 0 HD13 LEU A 104 6.640 -4.251 1.388 1.00 0.00 H new ATOM 0 HD21 LEU A 104 5.317 -2.087 -0.325 1.00 0.00 H new ATOM 0 HD22 LEU A 104 4.784 -2.569 1.303 1.00 0.00 H new ATOM 0 HD23 LEU A 104 5.150 -0.863 0.956 1.00 0.00 H new ATOM 1641 N TYR A 105 9.022 0.434 2.704 1.00 0.00 N ATOM 1642 CA TYR A 105 9.679 1.544 2.035 1.00 0.00 C ATOM 1643 C TYR A 105 11.175 1.326 2.040 1.00 0.00 C ATOM 1644 O TYR A 105 11.856 1.495 1.030 1.00 0.00 O ATOM 1645 CB TYR A 105 9.361 2.831 2.792 1.00 0.00 C ATOM 1646 CG TYR A 105 9.931 4.019 2.061 1.00 0.00 C ATOM 1647 CD1 TYR A 105 9.168 4.663 1.081 1.00 0.00 C ATOM 1648 CD2 TYR A 105 11.215 4.482 2.367 1.00 0.00 C ATOM 1649 CE1 TYR A 105 9.689 5.772 0.405 1.00 0.00 C ATOM 1650 CE2 TYR A 105 11.737 5.590 1.691 1.00 0.00 C ATOM 1651 CZ TYR A 105 10.974 6.235 0.710 1.00 0.00 C ATOM 1652 OH TYR A 105 11.488 7.328 0.044 1.00 0.00 O ATOM 0 H TYR A 105 8.392 0.706 3.458 1.00 0.00 H new ATOM 0 HA TYR A 105 9.326 1.614 1.006 1.00 0.00 H new ATOM 0 HB2 TYR A 105 8.282 2.943 2.897 1.00 0.00 H new ATOM 0 HB3 TYR A 105 9.775 2.781 3.799 1.00 0.00 H new ATOM 0 HD1 TYR A 105 8.177 4.304 0.846 1.00 0.00 H new ATOM 0 HD2 TYR A 105 11.803 3.985 3.124 1.00 0.00 H new ATOM 0 HE1 TYR A 105 9.100 6.270 -0.351 1.00 0.00 H new ATOM 0 HE2 TYR A 105 12.729 5.948 1.926 1.00 0.00 H new ATOM 0 HH TYR A 105 12.390 7.519 0.376 1.00 0.00 H new ATOM 1662 N ARG A 106 11.678 0.983 3.205 1.00 0.00 N ATOM 1663 CA ARG A 106 13.101 0.777 3.375 1.00 0.00 C ATOM 1664 C ARG A 106 13.599 -0.343 2.469 1.00 0.00 C ATOM 1665 O ARG A 106 14.646 -0.211 1.834 1.00 0.00 O ATOM 1666 CB ARG A 106 13.371 0.461 4.838 1.00 0.00 C ATOM 1667 CG ARG A 106 13.088 1.718 5.659 1.00 0.00 C ATOM 1668 CD ARG A 106 13.366 1.452 7.136 1.00 0.00 C ATOM 1669 NE ARG A 106 12.987 2.620 7.926 1.00 0.00 N ATOM 1670 CZ ARG A 106 13.807 3.656 8.061 1.00 0.00 C ATOM 1671 NH1 ARG A 106 14.883 3.544 8.788 1.00 0.00 N ATOM 1672 NH2 ARG A 106 13.536 4.784 7.462 1.00 0.00 N ATOM 0 H ARG A 106 11.124 0.841 4.049 1.00 0.00 H new ATOM 0 HA ARG A 106 13.641 1.681 3.093 1.00 0.00 H new ATOM 0 HB2 ARG A 106 12.738 -0.361 5.172 1.00 0.00 H new ATOM 0 HB3 ARG A 106 14.405 0.143 4.974 1.00 0.00 H new ATOM 0 HG2 ARG A 106 13.710 2.540 5.306 1.00 0.00 H new ATOM 0 HG3 ARG A 106 12.050 2.023 5.525 1.00 0.00 H new ATOM 0 HD2 ARG A 106 12.806 0.578 7.470 1.00 0.00 H new ATOM 0 HD3 ARG A 106 14.423 1.229 7.283 1.00 0.00 H new ATOM 0 HE ARG A 106 12.075 2.641 8.383 1.00 0.00 H new ATOM 0 HH11 ARG A 106 15.095 2.661 9.253 1.00 0.00 H new ATOM 0 HH12 ARG A 106 15.513 4.339 8.892 1.00 0.00 H new ATOM 0 HH21 ARG A 106 12.695 4.869 6.891 1.00 0.00 H new ATOM 0 HH22 ARG A 106 14.165 5.580 7.565 1.00 0.00 H new ATOM 1686 N SER A 107 12.844 -1.434 2.384 1.00 0.00 N ATOM 1687 CA SER A 107 13.248 -2.538 1.521 1.00 0.00 C ATOM 1688 C SER A 107 13.376 -2.048 0.079 1.00 0.00 C ATOM 1689 O SER A 107 14.285 -2.454 -0.644 1.00 0.00 O ATOM 1690 CB SER A 107 12.223 -3.674 1.596 1.00 0.00 C ATOM 1691 OG SER A 107 10.990 -3.235 1.044 1.00 0.00 O ATOM 0 H SER A 107 11.969 -1.576 2.889 1.00 0.00 H new ATOM 0 HA SER A 107 14.213 -2.914 1.860 1.00 0.00 H new ATOM 0 HB2 SER A 107 12.588 -4.545 1.051 1.00 0.00 H new ATOM 0 HB3 SER A 107 12.081 -3.983 2.632 1.00 0.00 H new ATOM 0 HG SER A 107 10.743 -2.373 1.439 1.00 0.00 H new ATOM 1697 N LEU A 108 12.462 -1.168 -0.331 1.00 0.00 N ATOM 1698 CA LEU A 108 12.483 -0.620 -1.686 1.00 0.00 C ATOM 1699 C LEU A 108 13.739 0.213 -1.917 1.00 0.00 C ATOM 1700 O LEU A 108 14.337 0.166 -2.991 1.00 0.00 O ATOM 1701 CB LEU A 108 11.271 0.286 -1.920 1.00 0.00 C ATOM 1702 CG LEU A 108 9.962 -0.507 -1.825 1.00 0.00 C ATOM 1703 CD1 LEU A 108 8.780 0.464 -1.944 1.00 0.00 C ATOM 1704 CD2 LEU A 108 9.884 -1.550 -2.951 1.00 0.00 C ATOM 0 H LEU A 108 11.701 -0.821 0.253 1.00 0.00 H new ATOM 0 HA LEU A 108 12.463 -1.464 -2.375 1.00 0.00 H new ATOM 0 HB2 LEU A 108 11.267 1.090 -1.184 1.00 0.00 H new ATOM 0 HB3 LEU A 108 11.346 0.753 -2.902 1.00 0.00 H new ATOM 0 HG LEU A 108 9.926 -1.025 -0.867 1.00 0.00 H new ATOM 0 HD11 LEU A 108 7.845 -0.092 -1.877 1.00 0.00 H new ATOM 0 HD12 LEU A 108 8.826 1.194 -1.136 1.00 0.00 H new ATOM 0 HD13 LEU A 108 8.828 0.980 -2.903 1.00 0.00 H new ATOM 0 HD21 LEU A 108 8.949 -2.104 -2.869 1.00 0.00 H new ATOM 0 HD22 LEU A 108 9.924 -1.046 -3.917 1.00 0.00 H new ATOM 0 HD23 LEU A 108 10.723 -2.240 -2.867 1.00 0.00 H new ATOM 1716 N VAL A 109 14.115 0.998 -0.913 1.00 0.00 N ATOM 1717 CA VAL A 109 15.278 1.863 -1.032 1.00 0.00 C ATOM 1718 C VAL A 109 16.528 1.033 -1.281 1.00 0.00 C ATOM 1719 O VAL A 109 17.321 1.345 -2.169 1.00 0.00 O ATOM 1720 CB VAL A 109 15.431 2.698 0.242 1.00 0.00 C ATOM 1721 CG1 VAL A 109 16.764 3.446 0.218 1.00 0.00 C ATOM 1722 CG2 VAL A 109 14.284 3.710 0.315 1.00 0.00 C ATOM 0 H VAL A 109 13.634 1.052 -0.015 1.00 0.00 H new ATOM 0 HA VAL A 109 15.140 2.535 -1.879 1.00 0.00 H new ATOM 0 HB VAL A 109 15.406 2.041 1.111 1.00 0.00 H new ATOM 0 HG11 VAL A 109 16.866 4.038 1.128 1.00 0.00 H new ATOM 0 HG12 VAL A 109 17.583 2.729 0.158 1.00 0.00 H new ATOM 0 HG13 VAL A 109 16.796 4.105 -0.649 1.00 0.00 H new ATOM 0 HG21 VAL A 109 14.385 4.310 1.220 1.00 0.00 H new ATOM 0 HG22 VAL A 109 14.318 4.362 -0.558 1.00 0.00 H new ATOM 0 HG23 VAL A 109 13.332 3.180 0.335 1.00 0.00 H new ATOM 1732 N GLN A 110 16.697 -0.032 -0.508 1.00 0.00 N ATOM 1733 CA GLN A 110 17.858 -0.891 -0.688 1.00 0.00 C ATOM 1734 C GLN A 110 17.796 -1.533 -2.064 1.00 0.00 C ATOM 1735 O GLN A 110 18.753 -1.480 -2.838 1.00 0.00 O ATOM 1736 CB GLN A 110 17.896 -1.989 0.395 1.00 0.00 C ATOM 1737 CG GLN A 110 17.370 -1.443 1.742 1.00 0.00 C ATOM 1738 CD GLN A 110 18.223 -1.951 2.905 1.00 0.00 C ATOM 1739 OE1 GLN A 110 18.864 -1.159 3.597 1.00 0.00 O ATOM 1740 NE2 GLN A 110 18.273 -3.228 3.160 1.00 0.00 N ATOM 0 H GLN A 110 16.059 -0.317 0.235 1.00 0.00 H new ATOM 0 HA GLN A 110 18.761 -0.287 -0.599 1.00 0.00 H new ATOM 0 HB2 GLN A 110 17.291 -2.839 0.080 1.00 0.00 H new ATOM 0 HB3 GLN A 110 18.917 -2.352 0.517 1.00 0.00 H new ATOM 0 HG2 GLN A 110 17.380 -0.353 1.727 1.00 0.00 H new ATOM 0 HG3 GLN A 110 16.334 -1.750 1.884 1.00 0.00 H new ATOM 0 HE21 GLN A 110 17.742 -3.884 2.587 1.00 0.00 H new ATOM 0 HE22 GLN A 110 18.843 -3.572 3.933 1.00 0.00 H new ATOM 1749 N LYS A 111 16.656 -2.139 -2.359 1.00 0.00 N ATOM 1750 CA LYS A 111 16.460 -2.793 -3.645 1.00 0.00 C ATOM 1751 C LYS A 111 16.757 -1.823 -4.788 1.00 0.00 C ATOM 1752 O LYS A 111 17.083 -2.243 -5.898 1.00 0.00 O ATOM 1753 CB LYS A 111 15.014 -3.309 -3.760 1.00 0.00 C ATOM 1754 CG LYS A 111 14.764 -4.470 -2.775 1.00 0.00 C ATOM 1755 CD LYS A 111 15.260 -5.797 -3.374 1.00 0.00 C ATOM 1756 CE LYS A 111 14.965 -6.944 -2.404 1.00 0.00 C ATOM 1757 NZ LYS A 111 15.433 -8.230 -2.997 1.00 0.00 N ATOM 0 H LYS A 111 15.856 -2.192 -1.729 1.00 0.00 H new ATOM 0 HA LYS A 111 17.147 -3.636 -3.713 1.00 0.00 H new ATOM 0 HB2 LYS A 111 14.316 -2.497 -3.556 1.00 0.00 H new ATOM 0 HB3 LYS A 111 14.823 -3.644 -4.779 1.00 0.00 H new ATOM 0 HG2 LYS A 111 15.278 -4.274 -1.834 1.00 0.00 H new ATOM 0 HG3 LYS A 111 13.700 -4.541 -2.549 1.00 0.00 H new ATOM 0 HD2 LYS A 111 14.770 -5.981 -4.330 1.00 0.00 H new ATOM 0 HD3 LYS A 111 16.331 -5.741 -3.571 1.00 0.00 H new ATOM 0 HE2 LYS A 111 15.465 -6.767 -1.452 1.00 0.00 H new ATOM 0 HE3 LYS A 111 13.896 -6.994 -2.198 1.00 0.00 H new ATOM 0 HZ1 LYS A 111 15.233 -9.009 -2.338 1.00 0.00 H new ATOM 0 HZ2 LYS A 111 14.936 -8.399 -3.895 1.00 0.00 H new ATOM 0 HZ3 LYS A 111 16.457 -8.179 -3.172 1.00 0.00 H new ATOM 1771 N GLY A 112 16.634 -0.528 -4.509 1.00 0.00 N ATOM 1772 CA GLY A 112 16.881 0.491 -5.526 1.00 0.00 C ATOM 1773 C GLY A 112 15.648 0.649 -6.399 1.00 0.00 C ATOM 1774 O GLY A 112 15.712 1.165 -7.516 1.00 0.00 O ATOM 0 H GLY A 112 16.367 -0.161 -3.595 1.00 0.00 H new ATOM 0 HA2 GLY A 112 17.127 1.441 -5.051 1.00 0.00 H new ATOM 0 HA3 GLY A 112 17.738 0.209 -6.137 1.00 0.00 H new ATOM 1778 N LEU A 113 14.526 0.196 -5.857 1.00 0.00 N ATOM 1779 CA LEU A 113 13.247 0.266 -6.544 1.00 0.00 C ATOM 1780 C LEU A 113 12.698 1.693 -6.534 1.00 0.00 C ATOM 1781 O LEU A 113 12.386 2.257 -7.582 1.00 0.00 O ATOM 1782 CB LEU A 113 12.263 -0.671 -5.836 1.00 0.00 C ATOM 1783 CG LEU A 113 12.526 -2.133 -6.237 1.00 0.00 C ATOM 1784 CD1 LEU A 113 11.802 -3.062 -5.254 1.00 0.00 C ATOM 1785 CD2 LEU A 113 12.011 -2.400 -7.667 1.00 0.00 C ATOM 0 H LEU A 113 14.478 -0.229 -4.931 1.00 0.00 H new ATOM 0 HA LEU A 113 13.381 -0.036 -7.583 1.00 0.00 H new ATOM 0 HB2 LEU A 113 12.360 -0.561 -4.756 1.00 0.00 H new ATOM 0 HB3 LEU A 113 11.240 -0.396 -6.094 1.00 0.00 H new ATOM 0 HG LEU A 113 13.599 -2.322 -6.209 1.00 0.00 H new ATOM 0 HD11 LEU A 113 11.984 -4.100 -5.533 1.00 0.00 H new ATOM 0 HD12 LEU A 113 12.175 -2.886 -4.245 1.00 0.00 H new ATOM 0 HD13 LEU A 113 10.731 -2.861 -5.285 1.00 0.00 H new ATOM 0 HD21 LEU A 113 12.205 -3.439 -7.935 1.00 0.00 H new ATOM 0 HD22 LEU A 113 10.939 -2.208 -7.709 1.00 0.00 H new ATOM 0 HD23 LEU A 113 12.525 -1.742 -8.368 1.00 0.00 H new ATOM 1797 N VAL A 114 12.576 2.266 -5.338 1.00 0.00 N ATOM 1798 CA VAL A 114 12.057 3.624 -5.190 1.00 0.00 C ATOM 1799 C VAL A 114 13.017 4.666 -5.772 1.00 0.00 C ATOM 1800 O VAL A 114 12.589 5.617 -6.427 1.00 0.00 O ATOM 1801 CB VAL A 114 11.749 3.899 -3.696 1.00 0.00 C ATOM 1802 CG1 VAL A 114 11.784 5.406 -3.395 1.00 0.00 C ATOM 1803 CG2 VAL A 114 10.345 3.358 -3.348 1.00 0.00 C ATOM 0 H VAL A 114 12.829 1.813 -4.460 1.00 0.00 H new ATOM 0 HA VAL A 114 11.132 3.709 -5.760 1.00 0.00 H new ATOM 0 HB VAL A 114 12.509 3.399 -3.096 1.00 0.00 H new ATOM 0 HG11 VAL A 114 11.565 5.572 -2.340 1.00 0.00 H new ATOM 0 HG12 VAL A 114 12.774 5.800 -3.626 1.00 0.00 H new ATOM 0 HG13 VAL A 114 11.039 5.916 -4.005 1.00 0.00 H new ATOM 0 HG21 VAL A 114 10.130 3.552 -2.297 1.00 0.00 H new ATOM 0 HG22 VAL A 114 9.599 3.855 -3.969 1.00 0.00 H new ATOM 0 HG23 VAL A 114 10.313 2.284 -3.532 1.00 0.00 H new ATOM 1813 N LYS A 115 14.301 4.478 -5.535 1.00 0.00 N ATOM 1814 CA LYS A 115 15.313 5.408 -6.043 1.00 0.00 C ATOM 1815 C LYS A 115 15.626 5.107 -7.509 1.00 0.00 C ATOM 1816 O LYS A 115 16.665 4.529 -7.825 1.00 0.00 O ATOM 1817 CB LYS A 115 16.592 5.301 -5.202 1.00 0.00 C ATOM 1818 CG LYS A 115 16.377 5.991 -3.847 1.00 0.00 C ATOM 1819 CD LYS A 115 17.586 5.747 -2.930 1.00 0.00 C ATOM 1820 CE LYS A 115 18.749 6.665 -3.325 1.00 0.00 C ATOM 1821 NZ LYS A 115 19.829 6.565 -2.301 1.00 0.00 N ATOM 0 H LYS A 115 14.675 3.696 -4.997 1.00 0.00 H new ATOM 0 HA LYS A 115 14.922 6.423 -5.971 1.00 0.00 H new ATOM 0 HB2 LYS A 115 16.853 4.254 -5.051 1.00 0.00 H new ATOM 0 HB3 LYS A 115 17.426 5.765 -5.729 1.00 0.00 H new ATOM 0 HG2 LYS A 115 16.233 7.061 -3.994 1.00 0.00 H new ATOM 0 HG3 LYS A 115 15.471 5.610 -3.376 1.00 0.00 H new ATOM 0 HD2 LYS A 115 17.306 5.929 -1.892 1.00 0.00 H new ATOM 0 HD3 LYS A 115 17.898 4.705 -2.998 1.00 0.00 H new ATOM 0 HE2 LYS A 115 19.134 6.381 -4.305 1.00 0.00 H new ATOM 0 HE3 LYS A 115 18.403 7.695 -3.405 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 20.619 7.187 -2.567 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 19.457 6.856 -1.374 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 20.166 5.583 -2.246 1.00 0.00 H new ATOM 1835 N THR A 116 14.715 5.505 -8.400 1.00 0.00 N ATOM 1836 CA THR A 116 14.891 5.269 -9.834 1.00 0.00 C ATOM 1837 C THR A 116 15.646 6.417 -10.495 1.00 0.00 C ATOM 1838 O THR A 116 16.092 6.308 -11.638 1.00 0.00 O ATOM 1839 CB THR A 116 13.525 5.103 -10.505 1.00 0.00 C ATOM 1840 OG1 THR A 116 13.710 4.796 -11.880 1.00 0.00 O ATOM 1841 CG2 THR A 116 12.722 6.401 -10.377 1.00 0.00 C ATOM 0 H THR A 116 13.852 5.990 -8.155 1.00 0.00 H new ATOM 0 HA THR A 116 15.476 4.358 -9.956 1.00 0.00 H new ATOM 0 HB THR A 116 12.980 4.294 -10.018 1.00 0.00 H new ATOM 0 HG1 THR A 116 14.558 5.177 -12.189 1.00 0.00 H new ATOM 0 HG21 THR A 116 11.751 6.277 -10.856 1.00 0.00 H new ATOM 0 HG22 THR A 116 12.579 6.638 -9.323 1.00 0.00 H new ATOM 0 HG23 THR A 116 13.264 7.213 -10.861 1.00 0.00 H new ATOM 1849 N LYS A 117 15.780 7.515 -9.769 1.00 0.00 N ATOM 1850 CA LYS A 117 16.476 8.688 -10.287 1.00 0.00 C ATOM 1851 C LYS A 117 17.966 8.418 -10.472 1.00 0.00 C ATOM 1852 O LYS A 117 18.448 8.286 -11.597 1.00 0.00 O ATOM 1853 CB LYS A 117 16.291 9.864 -9.340 1.00 0.00 C ATOM 1854 CG LYS A 117 14.826 10.311 -9.359 1.00 0.00 C ATOM 1855 CD LYS A 117 14.642 11.536 -8.439 1.00 0.00 C ATOM 1856 CE LYS A 117 14.363 11.077 -7.004 1.00 0.00 C ATOM 1857 NZ LYS A 117 12.933 10.680 -6.890 1.00 0.00 N ATOM 0 H LYS A 117 15.418 7.621 -8.821 1.00 0.00 H new ATOM 0 HA LYS A 117 16.046 8.924 -11.260 1.00 0.00 H new ATOM 0 HB2 LYS A 117 16.582 9.579 -8.329 1.00 0.00 H new ATOM 0 HB3 LYS A 117 16.938 10.689 -9.638 1.00 0.00 H new ATOM 0 HG2 LYS A 117 14.525 10.560 -10.377 1.00 0.00 H new ATOM 0 HG3 LYS A 117 14.183 9.496 -9.027 1.00 0.00 H new ATOM 0 HD2 LYS A 117 15.537 12.157 -8.463 1.00 0.00 H new ATOM 0 HD3 LYS A 117 13.818 12.151 -8.799 1.00 0.00 H new ATOM 0 HE2 LYS A 117 15.008 10.237 -6.745 1.00 0.00 H new ATOM 0 HE3 LYS A 117 14.588 11.880 -6.302 1.00 0.00 H new ATOM 0 HZ1 LYS A 117 12.835 9.937 -6.169 1.00 0.00 H new ATOM 0 HZ2 LYS A 117 12.364 11.506 -6.615 1.00 0.00 H new ATOM 0 HZ3 LYS A 117 12.599 10.319 -7.806 1.00 0.00 H new ATOM 1871 N LYS A 118 18.693 8.339 -9.361 1.00 0.00 N ATOM 1872 CA LYS A 118 20.128 8.086 -9.420 1.00 0.00 C ATOM 1873 C LYS A 118 20.407 6.837 -10.249 1.00 0.00 C ATOM 1874 O LYS A 118 19.677 5.850 -10.160 1.00 0.00 O ATOM 1875 CB LYS A 118 20.686 7.902 -8.002 1.00 0.00 C ATOM 1876 CG LYS A 118 20.684 9.253 -7.255 1.00 0.00 C ATOM 1877 CD LYS A 118 21.981 10.040 -7.565 1.00 0.00 C ATOM 1878 CE LYS A 118 23.059 9.701 -6.530 1.00 0.00 C ATOM 1879 NZ LYS A 118 22.811 10.482 -5.285 1.00 0.00 N ATOM 0 H LYS A 118 18.317 8.445 -8.419 1.00 0.00 H new ATOM 0 HA LYS A 118 20.616 8.940 -9.889 1.00 0.00 H new ATOM 0 HB2 LYS A 118 20.084 7.175 -7.457 1.00 0.00 H new ATOM 0 HB3 LYS A 118 21.700 7.505 -8.050 1.00 0.00 H new ATOM 0 HG2 LYS A 118 19.815 9.840 -7.552 1.00 0.00 H new ATOM 0 HG3 LYS A 118 20.602 9.083 -6.182 1.00 0.00 H new ATOM 0 HD2 LYS A 118 22.336 9.793 -8.566 1.00 0.00 H new ATOM 0 HD3 LYS A 118 21.778 11.111 -7.554 1.00 0.00 H new ATOM 0 HE2 LYS A 118 23.046 8.633 -6.311 1.00 0.00 H new ATOM 0 HE3 LYS A 118 24.047 9.933 -6.928 1.00 0.00 H new ATOM 0 HZ1 LYS A 118 23.288 10.020 -4.485 1.00 0.00 H new ATOM 0 HZ2 LYS A 118 23.183 11.446 -5.400 1.00 0.00 H new ATOM 0 HZ3 LYS A 118 21.788 10.525 -5.100 1.00 0.00 H new ATOM 1893 N LYS A 119 21.457 6.889 -11.065 1.00 0.00 N ATOM 1894 CA LYS A 119 21.807 5.754 -11.913 1.00 0.00 C ATOM 1895 C LYS A 119 20.562 5.199 -12.603 1.00 0.00 C ATOM 1896 O LYS A 119 20.165 4.096 -12.267 1.00 0.00 O ATOM 1897 CB LYS A 119 22.458 4.649 -11.077 1.00 0.00 C ATOM 1898 CG LYS A 119 23.820 5.121 -10.564 1.00 0.00 C ATOM 1899 CD LYS A 119 24.470 4.000 -9.749 1.00 0.00 C ATOM 1900 CE LYS A 119 25.883 4.412 -9.334 1.00 0.00 C ATOM 1901 NZ LYS A 119 25.812 5.582 -8.414 1.00 0.00 N ATOM 1902 OXT LYS A 119 20.025 5.886 -13.455 1.00 0.00 O ATOM 0 H LYS A 119 22.074 7.696 -11.156 1.00 0.00 H new ATOM 0 HA LYS A 119 22.512 6.098 -12.670 1.00 0.00 H new ATOM 0 HB2 LYS A 119 21.814 4.388 -10.238 1.00 0.00 H new ATOM 0 HB3 LYS A 119 22.578 3.748 -11.679 1.00 0.00 H new ATOM 0 HG2 LYS A 119 24.461 5.396 -11.401 1.00 0.00 H new ATOM 0 HG3 LYS A 119 23.700 6.012 -9.948 1.00 0.00 H new ATOM 0 HD2 LYS A 119 23.870 3.786 -8.865 1.00 0.00 H new ATOM 0 HD3 LYS A 119 24.507 3.084 -10.339 1.00 0.00 H new ATOM 0 HE2 LYS A 119 26.386 3.579 -8.842 1.00 0.00 H new ATOM 0 HE3 LYS A 119 26.473 4.665 -10.215 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 26.728 5.704 -7.936 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 25.589 6.439 -8.959 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 25.070 5.421 -7.704 1.00 0.00 H new TER 1916 LYS A 119