USER MOD reduce.3.24.130724 H: found=0, std=0, add=819, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 835 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 106 LYS NZ :NH3+ -142:sc=0.000889 (180deg=-1.21) USER MOD Set 1.2: A 110 THR OG1 : rot -120:sc= 0.0224 USER MOD Set 2.1: A 18 ASN : amide:sc= 0.803 K(o=1.3,f=-0.91!) USER MOD Set 2.2: A 20 SER OG : rot -54:sc= 0.531 USER MOD Single : A 15 GLN : amide:sc= 0 K(o=0,f=-0.73) USER MOD Single : A 21 SER OG : rot -160:sc= 0.299 USER MOD Single : A 23 LYS NZ :NH3+ 168:sc=-0.00517 (180deg=-0.173) USER MOD Single : A 29 SER OG : rot 160:sc= -0.0407 USER MOD Single : A 34 MET CE :methyl -122:sc= -4.39! (180deg=-9.18!) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 TYR OH : rot -11:sc= 0.0155 USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 TYR OH : rot -103:sc= 1.19 USER MOD Single : A 67 LYS NZ :NH3+ -172:sc= 0.0407 (180deg=-0.0132) USER MOD Single : A 69 ASN : amide:sc= -0.22 K(o=-0.22,f=-6.1!) USER MOD Single : A 70 THR OG1 : rot -69:sc= -0.344 USER MOD Single : A 78 THR OG1 : rot 162:sc= 0.295 USER MOD Single : A 79 GLN : amide:sc= -0.0723 X(o=-0.072,f=-0.072) USER MOD Single : A 80 TYR OH : rot 157:sc= 0.237 USER MOD Single : A 81 ASN : amide:sc= -2.35! X(o=-2.3!,f=-2.1) USER MOD Single : A 84 SER OG : rot 180:sc= -0.0318 USER MOD Single : A 87 THR OG1 : rot -75:sc= 0.621 USER MOD Single : A 92 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0175) USER MOD Single : A 93 ASN : amide:sc= 0.0156 K(o=0.016,f=-6!) USER MOD Single : A 97 LYS NZ :NH3+ 173:sc= -0.376 (180deg=-0.423) USER MOD Single : A 99 SER OG : rot 180:sc= 0.625 USER MOD Single : A 107 SER OG : rot 180:sc= 0.0305 USER MOD Single : A 108 THR OG1 : rot 180:sc= 0 USER MOD Single : A 112 SER OG : rot 76:sc= 0.43 USER MOD Single : A 115 LYS NZ :NH3+ -166:sc=-0.00633 (180deg=-0.193) USER MOD Single : A 116 TYR OH : rot 46:sc= -1.46! USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 14 -2.400 -4.386 -9.076 1.00 0.00 N ATOM 2 CA VAL A 14 -3.605 -3.686 -9.532 1.00 0.00 C ATOM 3 C VAL A 14 -3.304 -2.430 -10.351 1.00 0.00 C ATOM 4 O VAL A 14 -2.399 -1.637 -10.060 1.00 0.00 O ATOM 5 CB VAL A 14 -4.482 -3.352 -8.305 1.00 0.00 C ATOM 6 CG1 VAL A 14 -3.911 -2.229 -7.431 1.00 0.00 C ATOM 7 CG2 VAL A 14 -5.935 -3.102 -8.676 1.00 0.00 C ATOM 0 HA VAL A 14 -4.141 -4.351 -10.209 1.00 0.00 H new ATOM 0 HB VAL A 14 -4.461 -4.250 -7.687 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -4.579 -2.048 -6.589 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -2.929 -2.521 -7.059 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -3.819 -1.318 -8.023 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -6.506 -2.872 -7.776 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -5.994 -2.262 -9.368 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -6.348 -3.993 -9.150 1.00 0.00 H new ATOM 17 N GLN A 15 -4.212 -2.244 -11.284 1.00 0.00 N ATOM 18 CA GLN A 15 -4.377 -0.970 -11.971 1.00 0.00 C ATOM 19 C GLN A 15 -5.328 -0.112 -11.120 1.00 0.00 C ATOM 20 O GLN A 15 -6.558 -0.181 -11.218 1.00 0.00 O ATOM 21 CB GLN A 15 -4.971 -1.324 -13.321 1.00 0.00 C ATOM 22 CG GLN A 15 -5.168 -0.102 -14.193 1.00 0.00 C ATOM 23 CD GLN A 15 -5.783 -0.539 -15.515 1.00 0.00 C ATOM 24 OE1 GLN A 15 -6.410 -1.569 -15.685 1.00 0.00 O ATOM 25 NE2 GLN A 15 -5.567 0.237 -16.530 1.00 0.00 N ATOM 0 H GLN A 15 -4.860 -2.969 -11.592 1.00 0.00 H new ATOM 0 HA GLN A 15 -3.455 -0.405 -12.110 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -4.317 -2.031 -13.831 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -5.929 -1.824 -13.176 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -5.817 0.617 -13.694 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -4.214 0.396 -14.366 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -5.044 1.104 -16.407 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -5.920 -0.019 -17.452 1.00 0.00 H new ATOM 34 N ASP A 16 -4.677 0.528 -10.168 1.00 0.00 N ATOM 35 CA ASP A 16 -5.298 1.399 -9.149 1.00 0.00 C ATOM 36 C ASP A 16 -6.494 0.737 -8.444 1.00 0.00 C ATOM 37 O ASP A 16 -7.620 0.819 -8.916 1.00 0.00 O ATOM 38 CB ASP A 16 -5.716 2.734 -9.786 1.00 0.00 C ATOM 39 CG ASP A 16 -6.203 3.701 -8.713 1.00 0.00 C ATOM 40 OD1 ASP A 16 -7.228 4.373 -8.964 1.00 0.00 O ATOM 41 OD2 ASP A 16 -5.584 3.707 -7.633 1.00 0.00 O ATOM 0 H ASP A 16 -3.664 0.463 -10.066 1.00 0.00 H new ATOM 0 HA ASP A 16 -4.548 1.580 -8.379 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -4.873 3.169 -10.322 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -6.506 2.564 -10.518 1.00 0.00 H new ATOM 47 N VAL A 17 -6.247 0.361 -7.194 1.00 0.00 N ATOM 48 CA VAL A 17 -7.280 -0.305 -6.370 1.00 0.00 C ATOM 49 C VAL A 17 -8.191 0.743 -5.728 1.00 0.00 C ATOM 50 O VAL A 17 -7.763 1.871 -5.435 1.00 0.00 O ATOM 51 CB VAL A 17 -6.663 -1.335 -5.391 1.00 0.00 C ATOM 52 CG1 VAL A 17 -5.849 -0.761 -4.238 1.00 0.00 C ATOM 53 CG2 VAL A 17 -7.679 -2.331 -4.863 1.00 0.00 C ATOM 0 H VAL A 17 -5.353 0.499 -6.722 1.00 0.00 H new ATOM 0 HA VAL A 17 -7.925 -0.910 -7.007 1.00 0.00 H new ATOM 0 HB VAL A 17 -5.945 -1.853 -6.027 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -5.468 -1.575 -3.621 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -5.013 -0.184 -4.634 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -6.483 -0.113 -3.633 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -7.187 -3.026 -4.183 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -8.467 -1.799 -4.331 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -8.113 -2.884 -5.696 1.00 0.00 H new ATOM 63 N ASN A 18 -9.479 0.443 -5.838 1.00 0.00 N ATOM 64 CA ASN A 18 -10.564 1.261 -5.294 1.00 0.00 C ATOM 65 C ASN A 18 -11.572 0.361 -4.537 1.00 0.00 C ATOM 66 O ASN A 18 -11.305 -0.813 -4.327 1.00 0.00 O ATOM 67 CB ASN A 18 -11.210 2.078 -6.423 1.00 0.00 C ATOM 68 CG ASN A 18 -11.780 1.211 -7.545 1.00 0.00 C ATOM 69 OD1 ASN A 18 -12.854 0.634 -7.430 1.00 0.00 O ATOM 70 ND2 ASN A 18 -11.049 1.119 -8.633 1.00 0.00 N ATOM 0 H ASN A 18 -9.809 -0.394 -6.318 1.00 0.00 H new ATOM 0 HA ASN A 18 -10.176 1.975 -4.568 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -12.008 2.693 -6.007 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -10.468 2.759 -6.840 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -11.371 0.553 -9.418 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -10.159 1.614 -8.693 1.00 0.00 H new ATOM 77 N ASP A 19 -12.780 0.869 -4.309 1.00 0.00 N ATOM 78 CA ASP A 19 -13.858 0.163 -3.568 1.00 0.00 C ATOM 79 C ASP A 19 -14.336 -1.173 -4.156 1.00 0.00 C ATOM 80 O ASP A 19 -14.518 -2.128 -3.411 1.00 0.00 O ATOM 81 CB ASP A 19 -15.045 1.120 -3.405 1.00 0.00 C ATOM 82 CG ASP A 19 -15.220 1.590 -1.957 1.00 0.00 C ATOM 83 OD1 ASP A 19 -14.419 2.459 -1.535 1.00 0.00 O ATOM 84 OD2 ASP A 19 -16.160 1.103 -1.312 1.00 0.00 O ATOM 0 H ASP A 19 -13.056 1.796 -4.633 1.00 0.00 H new ATOM 0 HA ASP A 19 -13.414 -0.119 -2.613 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -14.901 1.986 -4.051 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -15.957 0.623 -3.736 1.00 0.00 H new ATOM 90 N SER A 20 -14.506 -1.220 -5.471 1.00 0.00 N ATOM 91 CA SER A 20 -14.970 -2.445 -6.167 1.00 0.00 C ATOM 92 C SER A 20 -13.889 -3.527 -6.204 1.00 0.00 C ATOM 93 O SER A 20 -14.062 -4.616 -5.659 1.00 0.00 O ATOM 94 CB SER A 20 -15.487 -2.131 -7.577 1.00 0.00 C ATOM 95 OG SER A 20 -14.457 -1.492 -8.347 1.00 0.00 O ATOM 0 H SER A 20 -14.333 -0.429 -6.091 1.00 0.00 H new ATOM 0 HA SER A 20 -15.804 -2.840 -5.588 1.00 0.00 H new ATOM 0 HB2 SER A 20 -15.804 -3.050 -8.070 1.00 0.00 H new ATOM 0 HB3 SER A 20 -16.362 -1.484 -7.517 1.00 0.00 H new ATOM 0 HG SER A 20 -14.119 -0.712 -7.859 1.00 0.00 H new ATOM 101 N SER A 21 -12.703 -3.137 -6.672 1.00 0.00 N ATOM 102 CA SER A 21 -11.527 -4.033 -6.717 1.00 0.00 C ATOM 103 C SER A 21 -10.966 -4.424 -5.356 1.00 0.00 C ATOM 104 O SER A 21 -10.393 -5.513 -5.250 1.00 0.00 O ATOM 105 CB SER A 21 -10.382 -3.538 -7.596 1.00 0.00 C ATOM 106 OG SER A 21 -10.163 -2.129 -7.430 1.00 0.00 O ATOM 0 H SER A 21 -12.522 -2.199 -7.030 1.00 0.00 H new ATOM 0 HA SER A 21 -11.955 -4.924 -7.177 1.00 0.00 H new ATOM 0 HB2 SER A 21 -9.470 -4.081 -7.347 1.00 0.00 H new ATOM 0 HB3 SER A 21 -10.605 -3.752 -8.641 1.00 0.00 H new ATOM 0 HG SER A 21 -9.668 -1.782 -8.201 1.00 0.00 H new ATOM 112 N TRP A 22 -11.237 -3.646 -4.326 1.00 0.00 N ATOM 113 CA TRP A 22 -10.795 -3.949 -2.950 1.00 0.00 C ATOM 114 C TRP A 22 -11.151 -5.374 -2.523 1.00 0.00 C ATOM 115 O TRP A 22 -10.268 -6.210 -2.310 1.00 0.00 O ATOM 116 CB TRP A 22 -11.426 -2.930 -2.010 1.00 0.00 C ATOM 117 CG TRP A 22 -10.871 -3.105 -0.601 1.00 0.00 C ATOM 118 CD1 TRP A 22 -11.464 -3.760 0.380 1.00 0.00 C ATOM 119 CD2 TRP A 22 -9.642 -2.678 -0.150 1.00 0.00 C ATOM 120 NE1 TRP A 22 -10.669 -3.777 1.462 1.00 0.00 N ATOM 121 CE2 TRP A 22 -9.537 -3.142 1.168 1.00 0.00 C ATOM 122 CE3 TRP A 22 -8.600 -1.952 -0.755 1.00 0.00 C ATOM 123 CZ2 TRP A 22 -8.356 -2.906 1.909 1.00 0.00 C ATOM 124 CZ3 TRP A 22 -7.426 -1.727 -0.035 1.00 0.00 C ATOM 125 CH2 TRP A 22 -7.302 -2.195 1.297 1.00 0.00 C ATOM 0 H TRP A 22 -11.770 -2.780 -4.405 1.00 0.00 H new ATOM 0 HA TRP A 22 -9.708 -3.883 -2.909 1.00 0.00 H new ATOM 0 HB2 TRP A 22 -11.223 -1.920 -2.367 1.00 0.00 H new ATOM 0 HB3 TRP A 22 -12.509 -3.053 -2.001 1.00 0.00 H new ATOM 0 HD1 TRP A 22 -12.442 -4.214 0.321 1.00 0.00 H new ATOM 0 HE1 TRP A 22 -10.895 -4.205 2.360 1.00 0.00 H new ATOM 0 HE3 TRP A 22 -8.707 -1.575 -1.761 1.00 0.00 H new ATOM 0 HZ2 TRP A 22 -8.263 -3.263 2.924 1.00 0.00 H new ATOM 0 HZ3 TRP A 22 -6.608 -1.193 -0.495 1.00 0.00 H new ATOM 0 HH2 TRP A 22 -6.393 -2.006 1.848 1.00 0.00 H new ATOM 136 N LYS A 23 -12.420 -5.704 -2.684 1.00 0.00 N ATOM 137 CA LYS A 23 -12.924 -7.017 -2.258 1.00 0.00 C ATOM 138 C LYS A 23 -12.318 -8.201 -3.018 1.00 0.00 C ATOM 139 O LYS A 23 -11.577 -8.960 -2.406 1.00 0.00 O ATOM 140 CB LYS A 23 -14.448 -7.010 -2.293 1.00 0.00 C ATOM 141 CG LYS A 23 -14.935 -6.021 -1.242 1.00 0.00 C ATOM 142 CD LYS A 23 -16.456 -5.849 -1.306 1.00 0.00 C ATOM 143 CE LYS A 23 -16.988 -4.867 -0.258 1.00 0.00 C ATOM 144 NZ LYS A 23 -16.441 -3.520 -0.497 1.00 0.00 N ATOM 0 H LYS A 23 -13.123 -5.094 -3.102 1.00 0.00 H new ATOM 0 HA LYS A 23 -12.593 -7.176 -1.232 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -14.806 -6.723 -3.282 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -14.839 -8.007 -2.089 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -14.647 -6.369 -0.250 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -14.451 -5.057 -1.394 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -16.736 -5.499 -2.300 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -16.933 -6.819 -1.163 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -18.077 -4.837 -0.297 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -16.714 -5.206 0.741 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -16.957 -2.828 0.083 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -15.433 -3.504 -0.240 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -16.546 -3.276 -1.503 1.00 0.00 H new ATOM 158 N GLU A 24 -12.255 -8.089 -4.336 1.00 0.00 N ATOM 159 CA GLU A 24 -11.701 -9.159 -5.205 1.00 0.00 C ATOM 160 C GLU A 24 -10.171 -9.219 -5.286 1.00 0.00 C ATOM 161 O GLU A 24 -9.588 -10.300 -5.365 1.00 0.00 O ATOM 162 CB GLU A 24 -12.348 -9.122 -6.589 1.00 0.00 C ATOM 163 CG GLU A 24 -12.188 -7.743 -7.234 1.00 0.00 C ATOM 164 CD GLU A 24 -12.941 -7.639 -8.564 1.00 0.00 C ATOM 165 OE1 GLU A 24 -14.118 -7.222 -8.505 1.00 0.00 O ATOM 166 OE2 GLU A 24 -12.313 -7.937 -9.586 1.00 0.00 O ATOM 0 H GLU A 24 -12.579 -7.268 -4.846 1.00 0.00 H new ATOM 0 HA GLU A 24 -11.968 -10.093 -4.710 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -11.894 -9.880 -7.227 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -13.407 -9.368 -6.506 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -12.555 -6.978 -6.549 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -11.130 -7.541 -7.400 1.00 0.00 H new ATOM 174 N PHE A 25 -9.512 -8.065 -5.248 1.00 0.00 N ATOM 175 CA PHE A 25 -8.038 -8.002 -5.373 1.00 0.00 C ATOM 176 C PHE A 25 -7.234 -7.966 -4.087 1.00 0.00 C ATOM 177 O PHE A 25 -6.269 -8.716 -3.922 1.00 0.00 O ATOM 178 CB PHE A 25 -7.651 -6.859 -6.302 1.00 0.00 C ATOM 179 CG PHE A 25 -7.847 -7.179 -7.779 1.00 0.00 C ATOM 180 CD1 PHE A 25 -8.595 -8.288 -8.266 1.00 0.00 C ATOM 181 CD2 PHE A 25 -7.279 -6.255 -8.682 1.00 0.00 C ATOM 182 CE1 PHE A 25 -8.806 -8.447 -9.647 1.00 0.00 C ATOM 183 CE2 PHE A 25 -7.497 -6.406 -10.060 1.00 0.00 C ATOM 184 CZ PHE A 25 -8.270 -7.491 -10.525 1.00 0.00 C ATOM 0 H PHE A 25 -9.963 -7.157 -5.132 1.00 0.00 H new ATOM 0 HA PHE A 25 -7.759 -8.966 -5.798 1.00 0.00 H new ATOM 0 HB2 PHE A 25 -8.243 -5.979 -6.048 1.00 0.00 H new ATOM 0 HB3 PHE A 25 -6.606 -6.601 -6.131 1.00 0.00 H new ATOM 0 HD1 PHE A 25 -9.002 -9.009 -7.573 1.00 0.00 H new ATOM 0 HD2 PHE A 25 -6.679 -5.436 -8.314 1.00 0.00 H new ATOM 0 HE1 PHE A 25 -9.369 -9.288 -10.025 1.00 0.00 H new ATOM 0 HE2 PHE A 25 -7.077 -5.698 -10.759 1.00 0.00 H new ATOM 0 HZ PHE A 25 -8.454 -7.589 -11.585 1.00 0.00 H new ATOM 194 N VAL A 26 -7.823 -7.346 -3.085 1.00 0.00 N ATOM 195 CA VAL A 26 -7.158 -7.270 -1.771 1.00 0.00 C ATOM 196 C VAL A 26 -7.622 -8.471 -0.943 1.00 0.00 C ATOM 197 O VAL A 26 -6.825 -9.374 -0.671 1.00 0.00 O ATOM 198 CB VAL A 26 -7.367 -5.903 -1.081 1.00 0.00 C ATOM 199 CG1 VAL A 26 -6.904 -5.888 0.376 1.00 0.00 C ATOM 200 CG2 VAL A 26 -6.597 -4.842 -1.866 1.00 0.00 C ATOM 0 H VAL A 26 -8.736 -6.894 -3.136 1.00 0.00 H new ATOM 0 HA VAL A 26 -6.076 -7.329 -1.888 1.00 0.00 H new ATOM 0 HB VAL A 26 -8.438 -5.698 -1.073 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -7.078 -4.900 0.803 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -7.463 -6.632 0.943 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -5.840 -6.121 0.422 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -6.733 -3.869 -1.393 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -5.537 -5.095 -1.877 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -6.971 -4.803 -2.889 1.00 0.00 H new ATOM 210 N LEU A 27 -8.937 -8.601 -0.811 1.00 0.00 N ATOM 211 CA LEU A 27 -9.513 -9.637 0.057 1.00 0.00 C ATOM 212 C LEU A 27 -9.694 -11.015 -0.609 1.00 0.00 C ATOM 213 O LEU A 27 -9.475 -12.037 0.032 1.00 0.00 O ATOM 214 CB LEU A 27 -10.817 -9.139 0.688 1.00 0.00 C ATOM 215 CG LEU A 27 -10.673 -7.742 1.334 1.00 0.00 C ATOM 216 CD1 LEU A 27 -12.040 -7.265 1.805 1.00 0.00 C ATOM 217 CD2 LEU A 27 -9.685 -7.711 2.502 1.00 0.00 C ATOM 0 H LEU A 27 -9.622 -8.013 -1.285 1.00 0.00 H new ATOM 0 HA LEU A 27 -8.775 -9.811 0.840 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -11.594 -9.103 -0.075 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -11.145 -9.852 1.444 1.00 0.00 H new ATOM 0 HG LEU A 27 -10.270 -7.077 0.570 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -11.944 -6.280 2.262 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -12.718 -7.206 0.954 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -12.438 -7.967 2.538 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -9.633 -6.701 2.908 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -10.019 -8.398 3.280 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -8.698 -8.012 2.152 1.00 0.00 H new ATOM 229 N GLU A 28 -9.898 -11.019 -1.928 1.00 0.00 N ATOM 230 CA GLU A 28 -10.176 -12.270 -2.657 1.00 0.00 C ATOM 231 C GLU A 28 -9.139 -12.745 -3.671 1.00 0.00 C ATOM 232 O GLU A 28 -9.458 -13.311 -4.717 1.00 0.00 O ATOM 233 CB GLU A 28 -11.581 -12.195 -3.281 1.00 0.00 C ATOM 234 CG GLU A 28 -12.338 -13.512 -3.060 1.00 0.00 C ATOM 235 CD GLU A 28 -12.511 -13.751 -1.558 1.00 0.00 C ATOM 236 OE1 GLU A 28 -11.998 -14.801 -1.095 1.00 0.00 O ATOM 237 OE2 GLU A 28 -13.118 -12.868 -0.912 1.00 0.00 O ATOM 0 H GLU A 28 -9.878 -10.183 -2.512 1.00 0.00 H new ATOM 0 HA GLU A 28 -10.117 -13.047 -1.894 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -12.138 -11.370 -2.838 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -11.501 -11.989 -4.348 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -13.312 -13.471 -3.548 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -11.790 -14.340 -3.511 1.00 0.00 H new ATOM 245 N SER A 29 -7.876 -12.561 -3.315 1.00 0.00 N ATOM 246 CA SER A 29 -6.737 -13.126 -4.061 1.00 0.00 C ATOM 247 C SER A 29 -6.196 -14.368 -3.351 1.00 0.00 C ATOM 248 O SER A 29 -5.418 -15.139 -3.912 1.00 0.00 O ATOM 249 CB SER A 29 -5.672 -12.030 -4.144 1.00 0.00 C ATOM 250 OG SER A 29 -5.322 -11.691 -2.800 1.00 0.00 O ATOM 0 H SER A 29 -7.601 -12.015 -2.499 1.00 0.00 H new ATOM 0 HA SER A 29 -7.039 -13.439 -5.060 1.00 0.00 H new ATOM 0 HB2 SER A 29 -4.799 -12.381 -4.694 1.00 0.00 H new ATOM 0 HB3 SER A 29 -6.055 -11.159 -4.675 1.00 0.00 H new ATOM 0 HG SER A 29 -4.448 -11.248 -2.791 1.00 0.00 H new ATOM 256 N GLU A 30 -6.521 -14.426 -2.048 1.00 0.00 N ATOM 257 CA GLU A 30 -6.171 -15.471 -1.055 1.00 0.00 C ATOM 258 C GLU A 30 -4.677 -15.541 -0.683 1.00 0.00 C ATOM 259 O GLU A 30 -4.282 -16.218 0.259 1.00 0.00 O ATOM 260 CB GLU A 30 -6.700 -16.841 -1.473 1.00 0.00 C ATOM 261 CG GLU A 30 -8.224 -16.929 -1.351 1.00 0.00 C ATOM 262 CD GLU A 30 -8.682 -16.807 0.104 1.00 0.00 C ATOM 263 OE1 GLU A 30 -8.941 -15.663 0.536 1.00 0.00 O ATOM 264 OE2 GLU A 30 -8.743 -17.864 0.779 1.00 0.00 O ATOM 0 H GLU A 30 -7.080 -13.687 -1.622 1.00 0.00 H new ATOM 0 HA GLU A 30 -6.676 -15.160 -0.140 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -6.406 -17.044 -2.503 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -6.242 -17.611 -0.853 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -8.683 -16.139 -1.945 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -8.568 -17.878 -1.763 1.00 0.00 H new ATOM 272 N VAL A 31 -3.924 -14.710 -1.374 1.00 0.00 N ATOM 273 CA VAL A 31 -2.464 -14.544 -1.235 1.00 0.00 C ATOM 274 C VAL A 31 -2.193 -13.382 -0.251 1.00 0.00 C ATOM 275 O VAL A 31 -2.992 -12.444 -0.238 1.00 0.00 O ATOM 276 CB VAL A 31 -1.845 -14.321 -2.632 1.00 0.00 C ATOM 277 CG1 VAL A 31 -2.061 -15.573 -3.492 1.00 0.00 C ATOM 278 CG2 VAL A 31 -2.371 -13.083 -3.366 1.00 0.00 C ATOM 0 H VAL A 31 -4.318 -14.095 -2.086 1.00 0.00 H new ATOM 0 HA VAL A 31 -1.993 -15.436 -0.822 1.00 0.00 H new ATOM 0 HB VAL A 31 -0.783 -14.138 -2.470 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -1.624 -15.417 -4.478 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -1.583 -16.429 -3.015 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -3.129 -15.764 -3.594 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -1.884 -13.002 -4.338 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -3.448 -13.173 -3.506 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -2.155 -12.192 -2.777 1.00 0.00 H new ATOM 288 N PRO A 32 -1.124 -13.455 0.560 1.00 0.00 N ATOM 289 CA PRO A 32 -0.751 -12.372 1.508 1.00 0.00 C ATOM 290 C PRO A 32 -0.714 -11.034 0.762 1.00 0.00 C ATOM 291 O PRO A 32 -0.113 -10.924 -0.314 1.00 0.00 O ATOM 292 CB PRO A 32 0.633 -12.743 2.028 1.00 0.00 C ATOM 293 CG PRO A 32 0.761 -14.246 1.811 1.00 0.00 C ATOM 294 CD PRO A 32 -0.171 -14.580 0.635 1.00 0.00 C ATOM 0 HA PRO A 32 -1.463 -12.269 2.327 1.00 0.00 H new ATOM 0 HB2 PRO A 32 1.412 -12.201 1.491 1.00 0.00 H new ATOM 0 HB3 PRO A 32 0.737 -12.489 3.083 1.00 0.00 H new ATOM 0 HG2 PRO A 32 1.791 -14.522 1.584 1.00 0.00 H new ATOM 0 HG3 PRO A 32 0.473 -14.796 2.707 1.00 0.00 H new ATOM 0 HD2 PRO A 32 0.390 -14.683 -0.294 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -0.690 -15.524 0.800 1.00 0.00 H new ATOM 302 N VAL A 33 -1.452 -10.071 1.295 1.00 0.00 N ATOM 303 CA VAL A 33 -1.659 -8.788 0.604 1.00 0.00 C ATOM 304 C VAL A 33 -1.047 -7.601 1.346 1.00 0.00 C ATOM 305 O VAL A 33 -1.144 -7.454 2.565 1.00 0.00 O ATOM 306 CB VAL A 33 -3.178 -8.631 0.327 1.00 0.00 C ATOM 307 CG1 VAL A 33 -3.634 -7.216 -0.005 1.00 0.00 C ATOM 308 CG2 VAL A 33 -3.608 -9.554 -0.810 1.00 0.00 C ATOM 0 H VAL A 33 -1.919 -10.144 2.199 1.00 0.00 H new ATOM 0 HA VAL A 33 -1.124 -8.796 -0.346 1.00 0.00 H new ATOM 0 HB VAL A 33 -3.656 -8.899 1.269 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -4.710 -7.212 -0.182 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -3.401 -6.554 0.829 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -3.118 -6.868 -0.900 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -4.676 -9.433 -0.993 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -3.054 -9.300 -1.714 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -3.402 -10.589 -0.536 1.00 0.00 H new ATOM 318 N MET A 34 -0.550 -6.705 0.505 1.00 0.00 N ATOM 319 CA MET A 34 0.009 -5.408 0.896 1.00 0.00 C ATOM 320 C MET A 34 -0.696 -4.303 0.112 1.00 0.00 C ATOM 321 O MET A 34 -0.799 -4.345 -1.124 1.00 0.00 O ATOM 322 CB MET A 34 1.506 -5.387 0.571 1.00 0.00 C ATOM 323 CG MET A 34 2.109 -4.094 1.113 1.00 0.00 C ATOM 324 SD MET A 34 3.918 -3.970 0.900 1.00 0.00 S ATOM 325 CE MET A 34 4.424 -5.346 1.914 1.00 0.00 C ATOM 0 H MET A 34 -0.521 -6.861 -0.503 1.00 0.00 H new ATOM 0 HA MET A 34 -0.135 -5.249 1.965 1.00 0.00 H new ATOM 0 HB2 MET A 34 2.001 -6.250 1.016 1.00 0.00 H new ATOM 0 HB3 MET A 34 1.659 -5.452 -0.506 1.00 0.00 H new ATOM 0 HG2 MET A 34 1.636 -3.248 0.614 1.00 0.00 H new ATOM 0 HG3 MET A 34 1.872 -4.012 2.174 1.00 0.00 H new ATOM 0 HE1 MET A 34 5.094 -4.993 2.698 1.00 0.00 H new ATOM 0 HE2 MET A 34 3.546 -5.806 2.367 1.00 0.00 H new ATOM 0 HE3 MET A 34 4.942 -6.081 1.298 1.00 0.00 H new ATOM 335 N VAL A 35 -1.074 -3.280 0.849 1.00 0.00 N ATOM 336 CA VAL A 35 -1.753 -2.121 0.236 1.00 0.00 C ATOM 337 C VAL A 35 -1.266 -0.749 0.728 1.00 0.00 C ATOM 338 O VAL A 35 -1.369 -0.418 1.915 1.00 0.00 O ATOM 339 CB VAL A 35 -3.278 -2.321 0.336 1.00 0.00 C ATOM 340 CG1 VAL A 35 -3.758 -2.457 1.783 1.00 0.00 C ATOM 341 CG2 VAL A 35 -4.029 -1.210 -0.395 1.00 0.00 C ATOM 0 H VAL A 35 -0.933 -3.211 1.857 1.00 0.00 H new ATOM 0 HA VAL A 35 -1.473 -2.092 -0.817 1.00 0.00 H new ATOM 0 HB VAL A 35 -3.504 -3.266 -0.158 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -4.839 -2.596 1.796 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -3.276 -3.318 2.247 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -3.501 -1.555 2.338 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -5.102 -1.378 -0.307 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -3.775 -0.247 0.048 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -3.746 -1.211 -1.448 1.00 0.00 H new ATOM 351 N ASP A 36 -0.918 0.075 -0.251 1.00 0.00 N ATOM 352 CA ASP A 36 -0.477 1.465 -0.010 1.00 0.00 C ATOM 353 C ASP A 36 -1.609 2.470 -0.259 1.00 0.00 C ATOM 354 O ASP A 36 -2.234 2.478 -1.320 1.00 0.00 O ATOM 355 CB ASP A 36 0.764 1.834 -0.826 1.00 0.00 C ATOM 356 CG ASP A 36 0.561 1.982 -2.338 1.00 0.00 C ATOM 357 OD1 ASP A 36 0.701 0.950 -3.028 1.00 0.00 O ATOM 358 OD2 ASP A 36 0.331 3.133 -2.769 1.00 0.00 O ATOM 0 H ASP A 36 -0.929 -0.189 -1.236 1.00 0.00 H new ATOM 0 HA ASP A 36 -0.201 1.519 1.043 1.00 0.00 H new ATOM 0 HB2 ASP A 36 1.161 2.773 -0.440 1.00 0.00 H new ATOM 0 HB3 ASP A 36 1.525 1.072 -0.656 1.00 0.00 H new ATOM 364 N PHE A 37 -1.765 3.328 0.738 1.00 0.00 N ATOM 365 CA PHE A 37 -2.788 4.401 0.747 1.00 0.00 C ATOM 366 C PHE A 37 -2.133 5.776 0.670 1.00 0.00 C ATOM 367 O PHE A 37 -1.361 6.183 1.542 1.00 0.00 O ATOM 368 CB PHE A 37 -3.602 4.403 2.046 1.00 0.00 C ATOM 369 CG PHE A 37 -4.470 3.171 2.271 1.00 0.00 C ATOM 370 CD1 PHE A 37 -3.891 1.944 2.676 1.00 0.00 C ATOM 371 CD2 PHE A 37 -5.860 3.296 2.089 1.00 0.00 C ATOM 372 CE1 PHE A 37 -4.718 0.821 2.882 1.00 0.00 C ATOM 373 CE2 PHE A 37 -6.695 2.175 2.306 1.00 0.00 C ATOM 374 CZ PHE A 37 -6.113 0.946 2.686 1.00 0.00 C ATOM 0 H PHE A 37 -1.187 3.312 1.578 1.00 0.00 H new ATOM 0 HA PHE A 37 -3.428 4.206 -0.113 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -2.915 4.502 2.886 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -4.243 5.285 2.053 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -2.824 1.869 2.826 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -6.286 4.241 1.786 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -4.291 -0.123 3.186 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -7.765 2.258 2.183 1.00 0.00 H new ATOM 0 HZ PHE A 37 -6.746 0.083 2.830 1.00 0.00 H new ATOM 384 N TRP A 38 -2.487 6.487 -0.398 1.00 0.00 N ATOM 385 CA TRP A 38 -2.045 7.864 -0.618 1.00 0.00 C ATOM 386 C TRP A 38 -3.260 8.795 -0.694 1.00 0.00 C ATOM 387 O TRP A 38 -4.329 8.395 -1.163 1.00 0.00 O ATOM 388 CB TRP A 38 -1.154 7.966 -1.860 1.00 0.00 C ATOM 389 CG TRP A 38 -1.924 7.873 -3.173 1.00 0.00 C ATOM 390 CD1 TRP A 38 -2.363 6.755 -3.725 1.00 0.00 C ATOM 391 CD2 TRP A 38 -2.386 8.934 -3.941 1.00 0.00 C ATOM 392 NE1 TRP A 38 -3.036 7.040 -4.830 1.00 0.00 N ATOM 393 CE2 TRP A 38 -3.123 8.359 -4.981 1.00 0.00 C ATOM 394 CE3 TRP A 38 -2.420 10.338 -3.727 1.00 0.00 C ATOM 395 CZ2 TRP A 38 -3.937 9.155 -5.814 1.00 0.00 C ATOM 396 CZ3 TRP A 38 -3.230 11.122 -4.555 1.00 0.00 C ATOM 397 CH2 TRP A 38 -3.991 10.540 -5.593 1.00 0.00 C ATOM 0 H TRP A 38 -3.089 6.125 -1.137 1.00 0.00 H new ATOM 0 HA TRP A 38 -1.434 8.182 0.227 1.00 0.00 H new ATOM 0 HB2 TRP A 38 -0.613 8.912 -1.832 1.00 0.00 H new ATOM 0 HB3 TRP A 38 -0.409 7.171 -1.828 1.00 0.00 H new ATOM 0 HD1 TRP A 38 -2.198 5.761 -3.335 1.00 0.00 H new ATOM 0 HE1 TRP A 38 -3.429 6.350 -5.470 1.00 0.00 H new ATOM 0 HE3 TRP A 38 -1.833 10.790 -2.942 1.00 0.00 H new ATOM 0 HZ2 TRP A 38 -4.511 8.705 -6.611 1.00 0.00 H new ATOM 0 HZ3 TRP A 38 -3.274 12.190 -4.398 1.00 0.00 H new ATOM 0 HH2 TRP A 38 -4.615 11.162 -6.218 1.00 0.00 H new ATOM 408 N ALA A 39 -3.008 10.079 -0.489 1.00 0.00 N ATOM 409 CA ALA A 39 -4.085 11.086 -0.366 1.00 0.00 C ATOM 410 C ALA A 39 -3.837 12.304 -1.257 1.00 0.00 C ATOM 411 O ALA A 39 -2.699 12.774 -1.315 1.00 0.00 O ATOM 412 CB ALA A 39 -4.223 11.501 1.093 1.00 0.00 C ATOM 0 H ALA A 39 -2.067 10.463 -0.402 1.00 0.00 H new ATOM 0 HA ALA A 39 -5.016 10.634 -0.706 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -5.016 12.243 1.187 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -4.469 10.628 1.698 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -3.283 11.929 1.440 1.00 0.00 H new ATOM 418 N PRO A 40 -4.867 12.831 -1.923 1.00 0.00 N ATOM 419 CA PRO A 40 -4.736 14.031 -2.768 1.00 0.00 C ATOM 420 C PRO A 40 -4.317 15.287 -1.979 1.00 0.00 C ATOM 421 O PRO A 40 -3.470 16.040 -2.445 1.00 0.00 O ATOM 422 CB PRO A 40 -6.085 14.197 -3.467 1.00 0.00 C ATOM 423 CG PRO A 40 -7.065 13.444 -2.564 1.00 0.00 C ATOM 424 CD PRO A 40 -6.249 12.300 -1.981 1.00 0.00 C ATOM 0 HA PRO A 40 -3.930 13.905 -3.491 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -6.358 15.248 -3.563 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -6.067 13.779 -4.473 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -7.458 14.091 -1.779 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -7.920 13.073 -3.129 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -6.609 12.018 -0.992 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -6.307 11.410 -2.607 1.00 0.00 H new ATOM 432 N TRP A 41 -4.800 15.405 -0.747 1.00 0.00 N ATOM 433 CA TRP A 41 -4.405 16.483 0.190 1.00 0.00 C ATOM 434 C TRP A 41 -2.944 16.443 0.681 1.00 0.00 C ATOM 435 O TRP A 41 -2.440 17.427 1.225 1.00 0.00 O ATOM 436 CB TRP A 41 -5.432 16.575 1.329 1.00 0.00 C ATOM 437 CG TRP A 41 -5.865 15.221 1.914 1.00 0.00 C ATOM 438 CD1 TRP A 41 -7.085 14.710 1.796 1.00 0.00 C ATOM 439 CD2 TRP A 41 -5.207 14.503 2.902 1.00 0.00 C ATOM 440 NE1 TRP A 41 -7.270 13.739 2.698 1.00 0.00 N ATOM 441 CE2 TRP A 41 -6.151 13.590 3.403 1.00 0.00 C ATOM 442 CE3 TRP A 41 -3.873 14.497 3.361 1.00 0.00 C ATOM 443 CZ2 TRP A 41 -5.787 12.680 4.421 1.00 0.00 C ATOM 444 CZ3 TRP A 41 -3.511 13.568 4.356 1.00 0.00 C ATOM 445 CH2 TRP A 41 -4.467 12.684 4.895 1.00 0.00 C ATOM 0 H TRP A 41 -5.483 14.757 -0.355 1.00 0.00 H new ATOM 0 HA TRP A 41 -4.422 17.411 -0.382 1.00 0.00 H new ATOM 0 HB2 TRP A 41 -5.013 17.184 2.130 1.00 0.00 H new ATOM 0 HB3 TRP A 41 -6.316 17.096 0.962 1.00 0.00 H new ATOM 0 HD1 TRP A 41 -7.822 15.032 1.075 1.00 0.00 H new ATOM 0 HE1 TRP A 41 -8.128 13.201 2.824 1.00 0.00 H new ATOM 0 HE3 TRP A 41 -3.147 15.188 2.959 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 -6.514 11.992 4.828 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 -2.491 13.533 4.709 1.00 0.00 H new ATOM 0 HH2 TRP A 41 -4.180 12.002 5.682 1.00 0.00 H new ATOM 456 N CYS A 42 -2.284 15.315 0.447 1.00 0.00 N ATOM 457 CA CYS A 42 -0.834 15.118 0.659 1.00 0.00 C ATOM 458 C CYS A 42 -0.022 15.540 -0.595 1.00 0.00 C ATOM 459 O CYS A 42 1.208 15.426 -0.634 1.00 0.00 O ATOM 460 CB CYS A 42 -0.686 13.619 0.964 1.00 0.00 C ATOM 461 SG CYS A 42 0.994 12.901 1.026 1.00 0.00 S ATOM 0 H CYS A 42 -2.748 14.478 0.093 1.00 0.00 H new ATOM 0 HA CYS A 42 -0.445 15.733 1.470 1.00 0.00 H new ATOM 0 HB2 CYS A 42 -1.163 13.428 1.925 1.00 0.00 H new ATOM 0 HB3 CYS A 42 -1.253 13.070 0.212 1.00 0.00 H new ATOM 466 N GLY A 43 -0.727 16.000 -1.635 1.00 0.00 N ATOM 467 CA GLY A 43 -0.178 16.433 -2.930 1.00 0.00 C ATOM 468 C GLY A 43 0.450 15.228 -3.662 1.00 0.00 C ATOM 469 O GLY A 43 -0.260 14.233 -3.878 1.00 0.00 O ATOM 0 H GLY A 43 -1.743 16.085 -1.597 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -0.967 16.871 -3.542 1.00 0.00 H new ATOM 0 HA3 GLY A 43 0.573 17.208 -2.776 1.00 0.00 H new ATOM 473 N PRO A 44 1.715 15.340 -4.093 1.00 0.00 N ATOM 474 CA PRO A 44 2.437 14.195 -4.670 1.00 0.00 C ATOM 475 C PRO A 44 2.877 13.242 -3.541 1.00 0.00 C ATOM 476 O PRO A 44 4.020 13.226 -3.096 1.00 0.00 O ATOM 477 CB PRO A 44 3.622 14.817 -5.427 1.00 0.00 C ATOM 478 CG PRO A 44 3.200 16.264 -5.648 1.00 0.00 C ATOM 479 CD PRO A 44 2.414 16.602 -4.386 1.00 0.00 C ATOM 0 HA PRO A 44 1.832 13.591 -5.346 1.00 0.00 H new ATOM 0 HB2 PRO A 44 4.543 14.754 -4.848 1.00 0.00 H new ATOM 0 HB3 PRO A 44 3.804 14.306 -6.372 1.00 0.00 H new ATOM 0 HG2 PRO A 44 4.062 16.919 -5.771 1.00 0.00 H new ATOM 0 HG3 PRO A 44 2.587 16.371 -6.543 1.00 0.00 H new ATOM 0 HD2 PRO A 44 3.070 16.901 -3.568 1.00 0.00 H new ATOM 0 HD3 PRO A 44 1.716 17.423 -4.551 1.00 0.00 H new ATOM 487 N CYS A 45 1.899 12.441 -3.111 1.00 0.00 N ATOM 488 CA CYS A 45 2.026 11.489 -1.994 1.00 0.00 C ATOM 489 C CYS A 45 2.746 10.197 -2.423 1.00 0.00 C ATOM 490 O CYS A 45 2.150 9.135 -2.618 1.00 0.00 O ATOM 491 CB CYS A 45 0.637 11.168 -1.433 1.00 0.00 C ATOM 492 SG CYS A 45 0.625 10.998 0.388 1.00 0.00 S ATOM 0 H CYS A 45 0.972 12.433 -3.537 1.00 0.00 H new ATOM 0 HA CYS A 45 2.634 11.954 -1.218 1.00 0.00 H new ATOM 0 HB2 CYS A 45 -0.057 11.956 -1.724 1.00 0.00 H new ATOM 0 HB3 CYS A 45 0.275 10.243 -1.881 1.00 0.00 H new ATOM 497 N LYS A 46 4.029 10.388 -2.693 1.00 0.00 N ATOM 498 CA LYS A 46 4.958 9.314 -3.119 1.00 0.00 C ATOM 499 C LYS A 46 5.121 8.252 -2.026 1.00 0.00 C ATOM 500 O LYS A 46 4.355 7.297 -2.001 1.00 0.00 O ATOM 501 CB LYS A 46 6.285 9.964 -3.526 1.00 0.00 C ATOM 502 CG LYS A 46 6.144 10.923 -4.715 1.00 0.00 C ATOM 503 CD LYS A 46 6.061 10.092 -5.991 1.00 0.00 C ATOM 504 CE LYS A 46 5.864 10.949 -7.231 1.00 0.00 C ATOM 505 NZ LYS A 46 5.936 9.954 -8.285 1.00 0.00 N ATOM 0 H LYS A 46 4.475 11.303 -2.626 1.00 0.00 H new ATOM 0 HA LYS A 46 4.554 8.781 -3.979 1.00 0.00 H new ATOM 0 HB2 LYS A 46 6.693 10.508 -2.674 1.00 0.00 H new ATOM 0 HB3 LYS A 46 7.003 9.184 -3.779 1.00 0.00 H new ATOM 0 HG2 LYS A 46 5.251 11.538 -4.603 1.00 0.00 H new ATOM 0 HG3 LYS A 46 6.995 11.602 -4.759 1.00 0.00 H new ATOM 0 HD2 LYS A 46 6.974 9.506 -6.099 1.00 0.00 H new ATOM 0 HD3 LYS A 46 5.236 9.385 -5.907 1.00 0.00 H new ATOM 0 HE2 LYS A 46 4.906 11.469 -7.222 1.00 0.00 H new ATOM 0 HE3 LYS A 46 6.638 11.710 -7.331 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 5.814 10.417 -9.208 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 6.862 9.482 -8.254 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 5.184 9.249 -8.149 1.00 0.00 H new ATOM 519 N LEU A 47 6.033 8.534 -1.078 1.00 0.00 N ATOM 520 CA LEU A 47 6.409 7.704 0.088 1.00 0.00 C ATOM 521 C LEU A 47 6.048 6.206 -0.010 1.00 0.00 C ATOM 522 O LEU A 47 6.799 5.418 -0.577 1.00 0.00 O ATOM 523 CB LEU A 47 5.871 8.342 1.389 1.00 0.00 C ATOM 524 CG LEU A 47 6.646 9.559 1.925 1.00 0.00 C ATOM 525 CD1 LEU A 47 8.109 9.207 2.175 1.00 0.00 C ATOM 526 CD2 LEU A 47 6.512 10.789 1.025 1.00 0.00 C ATOM 0 H LEU A 47 6.564 9.405 -1.105 1.00 0.00 H new ATOM 0 HA LEU A 47 7.499 7.700 0.101 1.00 0.00 H new ATOM 0 HB2 LEU A 47 4.837 8.643 1.220 1.00 0.00 H new ATOM 0 HB3 LEU A 47 5.858 7.577 2.165 1.00 0.00 H new ATOM 0 HG LEU A 47 6.192 9.828 2.879 1.00 0.00 H new ATOM 0 HD11 LEU A 47 8.635 10.084 2.553 1.00 0.00 H new ATOM 0 HD12 LEU A 47 8.170 8.403 2.909 1.00 0.00 H new ATOM 0 HD13 LEU A 47 8.570 8.882 1.242 1.00 0.00 H new ATOM 0 HD21 LEU A 47 7.079 11.616 1.452 1.00 0.00 H new ATOM 0 HD22 LEU A 47 6.900 10.558 0.033 1.00 0.00 H new ATOM 0 HD23 LEU A 47 5.462 11.071 0.948 1.00 0.00 H new ATOM 538 N ILE A 48 4.816 5.914 0.401 1.00 0.00 N ATOM 539 CA ILE A 48 4.182 4.576 0.338 1.00 0.00 C ATOM 540 C ILE A 48 4.348 3.851 -1.007 1.00 0.00 C ATOM 541 O ILE A 48 5.029 2.831 -1.049 1.00 0.00 O ATOM 542 CB ILE A 48 2.684 4.576 0.736 1.00 0.00 C ATOM 543 CG1 ILE A 48 1.764 5.611 0.062 1.00 0.00 C ATOM 544 CG2 ILE A 48 2.529 4.428 2.250 1.00 0.00 C ATOM 545 CD1 ILE A 48 1.954 7.093 0.411 1.00 0.00 C ATOM 0 H ILE A 48 4.200 6.620 0.804 1.00 0.00 H new ATOM 0 HA ILE A 48 4.742 4.015 1.087 1.00 0.00 H new ATOM 0 HB ILE A 48 2.267 3.680 0.276 1.00 0.00 H new ATOM 0 HG12 ILE A 48 1.881 5.506 -1.017 1.00 0.00 H new ATOM 0 HG13 ILE A 48 0.734 5.344 0.299 1.00 0.00 H new ATOM 0 HG21 ILE A 48 1.470 4.430 2.509 1.00 0.00 H new ATOM 0 HG22 ILE A 48 2.979 3.489 2.572 1.00 0.00 H new ATOM 0 HG23 ILE A 48 3.027 5.259 2.750 1.00 0.00 H new ATOM 0 HD11 ILE A 48 1.233 7.693 -0.144 1.00 0.00 H new ATOM 0 HD12 ILE A 48 1.800 7.238 1.480 1.00 0.00 H new ATOM 0 HD13 ILE A 48 2.965 7.403 0.145 1.00 0.00 H new ATOM 557 N ALA A 49 3.891 4.453 -2.105 1.00 0.00 N ATOM 558 CA ALA A 49 3.910 3.792 -3.432 1.00 0.00 C ATOM 559 C ALA A 49 5.260 3.252 -3.946 1.00 0.00 C ATOM 560 O ALA A 49 5.345 2.038 -4.162 1.00 0.00 O ATOM 561 CB ALA A 49 3.099 4.586 -4.470 1.00 0.00 C ATOM 0 H ALA A 49 3.502 5.396 -2.113 1.00 0.00 H new ATOM 0 HA ALA A 49 3.393 2.848 -3.258 1.00 0.00 H new ATOM 0 HB1 ALA A 49 3.135 4.072 -5.431 1.00 0.00 H new ATOM 0 HB2 ALA A 49 2.063 4.665 -4.139 1.00 0.00 H new ATOM 0 HB3 ALA A 49 3.523 5.584 -4.577 1.00 0.00 H new ATOM 567 N PRO A 50 6.343 4.039 -3.966 1.00 0.00 N ATOM 568 CA PRO A 50 7.705 3.579 -4.332 1.00 0.00 C ATOM 569 C PRO A 50 8.227 2.506 -3.366 1.00 0.00 C ATOM 570 O PRO A 50 8.724 1.478 -3.816 1.00 0.00 O ATOM 571 CB PRO A 50 8.624 4.792 -4.269 1.00 0.00 C ATOM 572 CG PRO A 50 7.733 6.015 -4.054 1.00 0.00 C ATOM 573 CD PRO A 50 6.327 5.486 -3.758 1.00 0.00 C ATOM 0 HA PRO A 50 7.678 3.137 -5.328 1.00 0.00 H new ATOM 0 HB2 PRO A 50 9.342 4.690 -3.456 1.00 0.00 H new ATOM 0 HB3 PRO A 50 9.198 4.890 -5.191 1.00 0.00 H new ATOM 0 HG2 PRO A 50 8.101 6.622 -3.226 1.00 0.00 H new ATOM 0 HG3 PRO A 50 7.729 6.652 -4.939 1.00 0.00 H new ATOM 0 HD2 PRO A 50 6.037 5.722 -2.734 1.00 0.00 H new ATOM 0 HD3 PRO A 50 5.595 5.958 -4.413 1.00 0.00 H new ATOM 581 N VAL A 51 7.989 2.707 -2.063 1.00 0.00 N ATOM 582 CA VAL A 51 8.379 1.726 -1.022 1.00 0.00 C ATOM 583 C VAL A 51 7.658 0.390 -1.248 1.00 0.00 C ATOM 584 O VAL A 51 8.311 -0.643 -1.340 1.00 0.00 O ATOM 585 CB VAL A 51 8.176 2.343 0.379 1.00 0.00 C ATOM 586 CG1 VAL A 51 8.453 1.345 1.502 1.00 0.00 C ATOM 587 CG2 VAL A 51 9.101 3.543 0.578 1.00 0.00 C ATOM 0 H VAL A 51 7.528 3.540 -1.697 1.00 0.00 H new ATOM 0 HA VAL A 51 9.441 1.492 -1.093 1.00 0.00 H new ATOM 0 HB VAL A 51 7.131 2.648 0.427 1.00 0.00 H new ATOM 0 HG11 VAL A 51 8.296 1.829 2.466 1.00 0.00 H new ATOM 0 HG12 VAL A 51 7.777 0.495 1.408 1.00 0.00 H new ATOM 0 HG13 VAL A 51 9.484 0.998 1.434 1.00 0.00 H new ATOM 0 HG21 VAL A 51 8.943 3.964 1.571 1.00 0.00 H new ATOM 0 HG22 VAL A 51 10.138 3.223 0.481 1.00 0.00 H new ATOM 0 HG23 VAL A 51 8.883 4.300 -0.176 1.00 0.00 H new ATOM 597 N ILE A 52 6.368 0.457 -1.551 1.00 0.00 N ATOM 598 CA ILE A 52 5.548 -0.726 -1.907 1.00 0.00 C ATOM 599 C ILE A 52 6.002 -1.386 -3.217 1.00 0.00 C ATOM 600 O ILE A 52 6.101 -2.610 -3.292 1.00 0.00 O ATOM 601 CB ILE A 52 4.055 -0.306 -1.811 1.00 0.00 C ATOM 602 CG1 ILE A 52 3.506 -0.497 -0.390 1.00 0.00 C ATOM 603 CG2 ILE A 52 3.120 -0.971 -2.821 1.00 0.00 C ATOM 604 CD1 ILE A 52 4.250 0.281 0.693 1.00 0.00 C ATOM 0 H ILE A 52 5.845 1.333 -1.561 1.00 0.00 H new ATOM 0 HA ILE A 52 5.692 -1.544 -1.201 1.00 0.00 H new ATOM 0 HB ILE A 52 4.066 0.753 -2.070 1.00 0.00 H new ATOM 0 HG12 ILE A 52 2.458 -0.198 -0.377 1.00 0.00 H new ATOM 0 HG13 ILE A 52 3.538 -1.558 -0.143 1.00 0.00 H new ATOM 0 HG21 ILE A 52 2.103 -0.609 -2.668 1.00 0.00 H new ATOM 0 HG22 ILE A 52 3.444 -0.727 -3.833 1.00 0.00 H new ATOM 0 HG23 ILE A 52 3.145 -2.052 -2.683 1.00 0.00 H new ATOM 0 HD11 ILE A 52 3.792 0.084 1.662 1.00 0.00 H new ATOM 0 HD12 ILE A 52 5.294 -0.033 0.715 1.00 0.00 H new ATOM 0 HD13 ILE A 52 4.196 1.348 0.476 1.00 0.00 H new ATOM 616 N ASP A 53 6.458 -0.549 -4.152 1.00 0.00 N ATOM 617 CA ASP A 53 7.059 -1.028 -5.425 1.00 0.00 C ATOM 618 C ASP A 53 8.390 -1.785 -5.227 1.00 0.00 C ATOM 619 O ASP A 53 8.739 -2.690 -5.982 1.00 0.00 O ATOM 620 CB ASP A 53 7.234 0.114 -6.427 1.00 0.00 C ATOM 621 CG ASP A 53 5.907 0.660 -6.969 1.00 0.00 C ATOM 622 OD1 ASP A 53 5.067 -0.158 -7.393 1.00 0.00 O ATOM 623 OD2 ASP A 53 5.774 1.907 -6.948 1.00 0.00 O ATOM 0 H ASP A 53 6.428 0.467 -4.063 1.00 0.00 H new ATOM 0 HA ASP A 53 6.348 -1.746 -5.834 1.00 0.00 H new ATOM 0 HB2 ASP A 53 7.784 0.925 -5.949 1.00 0.00 H new ATOM 0 HB3 ASP A 53 7.842 -0.235 -7.261 1.00 0.00 H new ATOM 629 N GLU A 54 9.124 -1.364 -4.211 1.00 0.00 N ATOM 630 CA GLU A 54 10.368 -2.019 -3.755 1.00 0.00 C ATOM 631 C GLU A 54 10.092 -3.307 -2.973 1.00 0.00 C ATOM 632 O GLU A 54 10.667 -4.353 -3.272 1.00 0.00 O ATOM 633 CB GLU A 54 11.171 -1.062 -2.882 1.00 0.00 C ATOM 634 CG GLU A 54 11.793 0.066 -3.719 1.00 0.00 C ATOM 635 CD GLU A 54 12.209 1.243 -2.848 1.00 0.00 C ATOM 636 OE1 GLU A 54 13.405 1.301 -2.477 1.00 0.00 O ATOM 637 OE2 GLU A 54 11.339 2.118 -2.603 1.00 0.00 O ATOM 0 H GLU A 54 8.879 -0.542 -3.660 1.00 0.00 H new ATOM 0 HA GLU A 54 10.937 -2.284 -4.646 1.00 0.00 H new ATOM 0 HB2 GLU A 54 10.524 -0.635 -2.116 1.00 0.00 H new ATOM 0 HB3 GLU A 54 11.958 -1.611 -2.365 1.00 0.00 H new ATOM 0 HG2 GLU A 54 12.661 -0.315 -4.257 1.00 0.00 H new ATOM 0 HG3 GLU A 54 11.076 0.402 -4.468 1.00 0.00 H new ATOM 645 N LEU A 55 9.096 -3.243 -2.085 1.00 0.00 N ATOM 646 CA LEU A 55 8.594 -4.427 -1.363 1.00 0.00 C ATOM 647 C LEU A 55 8.025 -5.507 -2.305 1.00 0.00 C ATOM 648 O LEU A 55 8.108 -6.689 -2.010 1.00 0.00 O ATOM 649 CB LEU A 55 7.529 -4.005 -0.340 1.00 0.00 C ATOM 650 CG LEU A 55 8.080 -3.075 0.756 1.00 0.00 C ATOM 651 CD1 LEU A 55 6.964 -2.321 1.482 1.00 0.00 C ATOM 652 CD2 LEU A 55 8.979 -3.827 1.733 1.00 0.00 C ATOM 0 H LEU A 55 8.614 -2.377 -1.844 1.00 0.00 H new ATOM 0 HA LEU A 55 9.447 -4.872 -0.850 1.00 0.00 H new ATOM 0 HB2 LEU A 55 6.714 -3.501 -0.860 1.00 0.00 H new ATOM 0 HB3 LEU A 55 7.108 -4.896 0.126 1.00 0.00 H new ATOM 0 HG LEU A 55 8.697 -2.327 0.257 1.00 0.00 H new ATOM 0 HD11 LEU A 55 7.398 -1.677 2.247 1.00 0.00 H new ATOM 0 HD12 LEU A 55 6.411 -1.713 0.766 1.00 0.00 H new ATOM 0 HD13 LEU A 55 6.287 -3.036 1.951 1.00 0.00 H new ATOM 0 HD21 LEU A 55 9.349 -3.137 2.492 1.00 0.00 H new ATOM 0 HD22 LEU A 55 8.409 -4.623 2.213 1.00 0.00 H new ATOM 0 HD23 LEU A 55 9.822 -4.259 1.193 1.00 0.00 H new ATOM 664 N ALA A 56 7.694 -5.068 -3.511 1.00 0.00 N ATOM 665 CA ALA A 56 7.217 -5.932 -4.622 1.00 0.00 C ATOM 666 C ALA A 56 8.326 -6.878 -5.108 1.00 0.00 C ATOM 667 O ALA A 56 8.173 -8.087 -5.088 1.00 0.00 O ATOM 668 CB ALA A 56 6.745 -5.037 -5.771 1.00 0.00 C ATOM 0 H ALA A 56 7.745 -4.082 -3.767 1.00 0.00 H new ATOM 0 HA ALA A 56 6.393 -6.549 -4.264 1.00 0.00 H new ATOM 0 HB1 ALA A 56 6.392 -5.658 -6.594 1.00 0.00 H new ATOM 0 HB2 ALA A 56 5.933 -4.398 -5.424 1.00 0.00 H new ATOM 0 HB3 ALA A 56 7.574 -4.417 -6.114 1.00 0.00 H new ATOM 674 N LYS A 57 9.463 -6.290 -5.501 1.00 0.00 N ATOM 675 CA LYS A 57 10.659 -7.074 -5.891 1.00 0.00 C ATOM 676 C LYS A 57 11.375 -7.757 -4.723 1.00 0.00 C ATOM 677 O LYS A 57 11.885 -8.866 -4.871 1.00 0.00 O ATOM 678 CB LYS A 57 11.613 -6.268 -6.778 1.00 0.00 C ATOM 679 CG LYS A 57 12.052 -4.934 -6.164 1.00 0.00 C ATOM 680 CD LYS A 57 12.943 -4.181 -7.135 1.00 0.00 C ATOM 681 CE LYS A 57 13.254 -2.790 -6.575 1.00 0.00 C ATOM 682 NZ LYS A 57 14.078 -2.034 -7.523 1.00 0.00 N ATOM 0 H LYS A 57 9.587 -5.279 -5.560 1.00 0.00 H new ATOM 0 HA LYS A 57 10.276 -7.897 -6.495 1.00 0.00 H new ATOM 0 HB2 LYS A 57 12.498 -6.870 -6.985 1.00 0.00 H new ATOM 0 HB3 LYS A 57 11.128 -6.075 -7.735 1.00 0.00 H new ATOM 0 HG2 LYS A 57 11.177 -4.332 -5.919 1.00 0.00 H new ATOM 0 HG3 LYS A 57 12.587 -5.113 -5.231 1.00 0.00 H new ATOM 0 HD2 LYS A 57 13.868 -4.733 -7.298 1.00 0.00 H new ATOM 0 HD3 LYS A 57 12.450 -4.092 -8.103 1.00 0.00 H new ATOM 0 HE2 LYS A 57 12.326 -2.253 -6.380 1.00 0.00 H new ATOM 0 HE3 LYS A 57 13.775 -2.882 -5.622 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 14.282 -1.092 -7.132 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 14.971 -2.541 -7.688 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 13.566 -1.931 -8.423 1.00 0.00 H new ATOM 696 N GLU A 58 11.271 -7.142 -3.539 1.00 0.00 N ATOM 697 CA GLU A 58 11.773 -7.701 -2.272 1.00 0.00 C ATOM 698 C GLU A 58 11.031 -8.984 -1.883 1.00 0.00 C ATOM 699 O GLU A 58 11.629 -9.926 -1.357 1.00 0.00 O ATOM 700 CB GLU A 58 11.593 -6.678 -1.142 1.00 0.00 C ATOM 701 CG GLU A 58 12.850 -5.840 -0.934 1.00 0.00 C ATOM 702 CD GLU A 58 12.578 -4.678 0.021 1.00 0.00 C ATOM 703 OE1 GLU A 58 11.998 -3.680 -0.477 1.00 0.00 O ATOM 704 OE2 GLU A 58 12.893 -4.805 1.225 1.00 0.00 O ATOM 0 H GLU A 58 10.830 -6.229 -3.429 1.00 0.00 H new ATOM 0 HA GLU A 58 12.828 -7.935 -2.417 1.00 0.00 H new ATOM 0 HB2 GLU A 58 10.753 -6.023 -1.375 1.00 0.00 H new ATOM 0 HB3 GLU A 58 11.345 -7.198 -0.217 1.00 0.00 H new ATOM 0 HG2 GLU A 58 13.647 -6.466 -0.534 1.00 0.00 H new ATOM 0 HG3 GLU A 58 13.198 -5.455 -1.892 1.00 0.00 H new ATOM 712 N TYR A 59 9.715 -8.960 -2.075 1.00 0.00 N ATOM 713 CA TYR A 59 8.840 -10.106 -1.810 1.00 0.00 C ATOM 714 C TYR A 59 8.167 -10.622 -3.087 1.00 0.00 C ATOM 715 O TYR A 59 6.941 -10.770 -3.184 1.00 0.00 O ATOM 716 CB TYR A 59 7.852 -9.727 -0.701 1.00 0.00 C ATOM 717 CG TYR A 59 8.564 -9.472 0.626 1.00 0.00 C ATOM 718 CD1 TYR A 59 9.148 -10.572 1.303 1.00 0.00 C ATOM 719 CD2 TYR A 59 8.893 -8.131 0.932 1.00 0.00 C ATOM 720 CE1 TYR A 59 10.146 -10.320 2.263 1.00 0.00 C ATOM 721 CE2 TYR A 59 9.897 -7.887 1.889 1.00 0.00 C ATOM 722 CZ TYR A 59 10.515 -8.984 2.527 1.00 0.00 C ATOM 723 OH TYR A 59 11.606 -8.720 3.289 1.00 0.00 O ATOM 0 H TYR A 59 9.218 -8.139 -2.422 1.00 0.00 H new ATOM 0 HA TYR A 59 9.433 -10.949 -1.456 1.00 0.00 H new ATOM 0 HB2 TYR A 59 7.299 -8.835 -0.995 1.00 0.00 H new ATOM 0 HB3 TYR A 59 7.122 -10.527 -0.575 1.00 0.00 H new ATOM 0 HD1 TYR A 59 8.834 -11.582 1.087 1.00 0.00 H new ATOM 0 HD2 TYR A 59 8.386 -7.313 0.443 1.00 0.00 H new ATOM 0 HE1 TYR A 59 10.621 -11.135 2.788 1.00 0.00 H new ATOM 0 HE2 TYR A 59 10.190 -6.876 2.131 1.00 0.00 H new ATOM 0 HH TYR A 59 11.915 -9.546 3.716 1.00 0.00 H new ATOM 733 N SER A 60 9.046 -10.940 -4.040 1.00 0.00 N ATOM 734 CA SER A 60 8.698 -11.591 -5.313 1.00 0.00 C ATOM 735 C SER A 60 8.165 -13.000 -5.060 1.00 0.00 C ATOM 736 O SER A 60 8.892 -13.886 -4.614 1.00 0.00 O ATOM 737 CB SER A 60 9.902 -11.686 -6.245 1.00 0.00 C ATOM 738 OG SER A 60 9.759 -10.703 -7.275 1.00 0.00 O ATOM 0 H SER A 60 10.044 -10.749 -3.950 1.00 0.00 H new ATOM 0 HA SER A 60 7.932 -10.978 -5.788 1.00 0.00 H new ATOM 0 HB2 SER A 60 10.825 -11.520 -5.689 1.00 0.00 H new ATOM 0 HB3 SER A 60 9.966 -12.683 -6.680 1.00 0.00 H new ATOM 0 HG SER A 60 10.527 -10.751 -7.882 1.00 0.00 H new ATOM 744 N GLY A 61 6.845 -13.091 -5.180 1.00 0.00 N ATOM 745 CA GLY A 61 6.088 -14.335 -4.938 1.00 0.00 C ATOM 746 C GLY A 61 5.553 -14.458 -3.496 1.00 0.00 C ATOM 747 O GLY A 61 5.082 -15.514 -3.107 1.00 0.00 O ATOM 0 H GLY A 61 6.257 -12.303 -5.450 1.00 0.00 H new ATOM 0 HA2 GLY A 61 5.250 -14.382 -5.633 1.00 0.00 H new ATOM 0 HA3 GLY A 61 6.730 -15.189 -5.153 1.00 0.00 H new ATOM 751 N LYS A 62 5.671 -13.382 -2.719 1.00 0.00 N ATOM 752 CA LYS A 62 5.165 -13.335 -1.333 1.00 0.00 C ATOM 753 C LYS A 62 3.882 -12.510 -1.166 1.00 0.00 C ATOM 754 O LYS A 62 2.845 -13.050 -0.792 1.00 0.00 O ATOM 755 CB LYS A 62 6.222 -12.818 -0.351 1.00 0.00 C ATOM 756 CG LYS A 62 7.278 -13.860 0.002 1.00 0.00 C ATOM 757 CD LYS A 62 8.350 -13.955 -1.080 1.00 0.00 C ATOM 758 CE LYS A 62 9.498 -14.863 -0.683 1.00 0.00 C ATOM 759 NZ LYS A 62 10.554 -14.678 -1.691 1.00 0.00 N ATOM 0 H LYS A 62 6.117 -12.517 -3.024 1.00 0.00 H new ATOM 0 HA LYS A 62 4.924 -14.372 -1.100 1.00 0.00 H new ATOM 0 HB2 LYS A 62 6.713 -11.945 -0.782 1.00 0.00 H new ATOM 0 HB3 LYS A 62 5.728 -12.487 0.563 1.00 0.00 H new ATOM 0 HG2 LYS A 62 7.742 -13.602 0.954 1.00 0.00 H new ATOM 0 HG3 LYS A 62 6.803 -14.832 0.132 1.00 0.00 H new ATOM 0 HD2 LYS A 62 7.900 -14.325 -2.001 1.00 0.00 H new ATOM 0 HD3 LYS A 62 8.736 -12.958 -1.292 1.00 0.00 H new ATOM 0 HE2 LYS A 62 9.865 -14.610 0.312 1.00 0.00 H new ATOM 0 HE3 LYS A 62 9.174 -15.903 -0.649 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 11.366 -15.285 -1.458 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 10.187 -14.936 -2.629 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 10.856 -13.683 -1.699 1.00 0.00 H new ATOM 773 N ILE A 63 4.011 -11.203 -1.394 1.00 0.00 N ATOM 774 CA ILE A 63 2.881 -10.269 -1.197 1.00 0.00 C ATOM 775 C ILE A 63 2.369 -9.596 -2.468 1.00 0.00 C ATOM 776 O ILE A 63 3.128 -9.158 -3.328 1.00 0.00 O ATOM 777 CB ILE A 63 3.146 -9.243 -0.070 1.00 0.00 C ATOM 778 CG1 ILE A 63 4.502 -8.527 -0.143 1.00 0.00 C ATOM 779 CG2 ILE A 63 3.015 -9.925 1.287 1.00 0.00 C ATOM 780 CD1 ILE A 63 4.572 -7.417 -1.201 1.00 0.00 C ATOM 0 H ILE A 63 4.874 -10.762 -1.712 1.00 0.00 H new ATOM 0 HA ILE A 63 2.063 -10.913 -0.874 1.00 0.00 H new ATOM 0 HB ILE A 63 2.392 -8.468 -0.207 1.00 0.00 H new ATOM 0 HG12 ILE A 63 4.726 -8.097 0.833 1.00 0.00 H new ATOM 0 HG13 ILE A 63 5.278 -9.263 -0.353 1.00 0.00 H new ATOM 0 HG21 ILE A 63 3.202 -9.199 2.078 1.00 0.00 H new ATOM 0 HG22 ILE A 63 2.008 -10.329 1.396 1.00 0.00 H new ATOM 0 HG23 ILE A 63 3.741 -10.735 1.359 1.00 0.00 H new ATOM 0 HD11 ILE A 63 5.563 -6.963 -1.187 1.00 0.00 H new ATOM 0 HD12 ILE A 63 4.382 -7.841 -2.187 1.00 0.00 H new ATOM 0 HD13 ILE A 63 3.821 -6.658 -0.982 1.00 0.00 H new ATOM 792 N ALA A 64 1.053 -9.542 -2.509 1.00 0.00 N ATOM 793 CA ALA A 64 0.300 -8.852 -3.574 1.00 0.00 C ATOM 794 C ALA A 64 0.180 -7.364 -3.245 1.00 0.00 C ATOM 795 O ALA A 64 -0.402 -6.971 -2.237 1.00 0.00 O ATOM 796 CB ALA A 64 -1.055 -9.546 -3.703 1.00 0.00 C ATOM 0 H ALA A 64 0.457 -9.975 -1.804 1.00 0.00 H new ATOM 0 HA ALA A 64 0.813 -8.910 -4.534 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -1.640 -9.060 -4.484 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -0.904 -10.594 -3.962 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -1.589 -9.480 -2.755 1.00 0.00 H new ATOM 802 N VAL A 65 0.917 -6.575 -4.025 1.00 0.00 N ATOM 803 CA VAL A 65 1.061 -5.114 -3.867 1.00 0.00 C ATOM 804 C VAL A 65 -0.002 -4.292 -4.622 1.00 0.00 C ATOM 805 O VAL A 65 -0.125 -4.353 -5.850 1.00 0.00 O ATOM 806 CB VAL A 65 2.485 -4.656 -4.215 1.00 0.00 C ATOM 807 CG1 VAL A 65 3.348 -4.658 -2.951 1.00 0.00 C ATOM 808 CG2 VAL A 65 3.173 -5.405 -5.358 1.00 0.00 C ATOM 0 H VAL A 65 1.452 -6.940 -4.813 1.00 0.00 H new ATOM 0 HA VAL A 65 0.881 -4.911 -2.811 1.00 0.00 H new ATOM 0 HB VAL A 65 2.374 -3.645 -4.606 1.00 0.00 H new ATOM 0 HG11 VAL A 65 4.358 -4.333 -3.200 1.00 0.00 H new ATOM 0 HG12 VAL A 65 2.918 -3.977 -2.216 1.00 0.00 H new ATOM 0 HG13 VAL A 65 3.383 -5.665 -2.536 1.00 0.00 H new ATOM 0 HG21 VAL A 65 4.171 -4.995 -5.513 1.00 0.00 H new ATOM 0 HG22 VAL A 65 3.250 -6.463 -5.106 1.00 0.00 H new ATOM 0 HG23 VAL A 65 2.589 -5.292 -6.271 1.00 0.00 H new ATOM 818 N TYR A 66 -0.805 -3.607 -3.820 1.00 0.00 N ATOM 819 CA TYR A 66 -1.938 -2.788 -4.293 1.00 0.00 C ATOM 820 C TYR A 66 -1.834 -1.291 -3.918 1.00 0.00 C ATOM 821 O TYR A 66 -1.393 -0.935 -2.818 1.00 0.00 O ATOM 822 CB TYR A 66 -3.245 -3.367 -3.765 1.00 0.00 C ATOM 823 CG TYR A 66 -3.445 -4.825 -4.186 1.00 0.00 C ATOM 824 CD1 TYR A 66 -3.639 -5.154 -5.547 1.00 0.00 C ATOM 825 CD2 TYR A 66 -3.383 -5.827 -3.197 1.00 0.00 C ATOM 826 CE1 TYR A 66 -3.764 -6.498 -5.940 1.00 0.00 C ATOM 827 CE2 TYR A 66 -3.524 -7.173 -3.583 1.00 0.00 C ATOM 828 CZ TYR A 66 -3.702 -7.500 -4.952 1.00 0.00 C ATOM 829 OH TYR A 66 -3.971 -8.779 -5.289 1.00 0.00 O ATOM 0 H TYR A 66 -0.695 -3.597 -2.806 1.00 0.00 H new ATOM 0 HA TYR A 66 -1.911 -2.827 -5.382 1.00 0.00 H new ATOM 0 HB2 TYR A 66 -3.256 -3.300 -2.677 1.00 0.00 H new ATOM 0 HB3 TYR A 66 -4.079 -2.768 -4.130 1.00 0.00 H new ATOM 0 HD1 TYR A 66 -3.691 -4.370 -6.288 1.00 0.00 H new ATOM 0 HD2 TYR A 66 -3.230 -5.566 -2.160 1.00 0.00 H new ATOM 0 HE1 TYR A 66 -3.905 -6.757 -6.979 1.00 0.00 H new ATOM 0 HE2 TYR A 66 -3.497 -7.955 -2.839 1.00 0.00 H new ATOM 0 HH TYR A 66 -4.874 -9.013 -4.989 1.00 0.00 H new ATOM 839 N LYS A 67 -2.415 -0.473 -4.780 1.00 0.00 N ATOM 840 CA LYS A 67 -2.311 1.006 -4.704 1.00 0.00 C ATOM 841 C LYS A 67 -3.682 1.687 -4.646 1.00 0.00 C ATOM 842 O LYS A 67 -4.404 1.738 -5.643 1.00 0.00 O ATOM 843 CB LYS A 67 -1.522 1.572 -5.898 1.00 0.00 C ATOM 844 CG LYS A 67 -0.181 0.863 -6.100 1.00 0.00 C ATOM 845 CD LYS A 67 -0.280 -0.309 -7.087 1.00 0.00 C ATOM 846 CE LYS A 67 0.994 -1.150 -7.110 1.00 0.00 C ATOM 847 NZ LYS A 67 2.111 -0.336 -7.596 1.00 0.00 N ATOM 0 H LYS A 67 -2.980 -0.802 -5.563 1.00 0.00 H new ATOM 0 HA LYS A 67 -1.780 1.222 -3.777 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -2.121 1.476 -6.804 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -1.347 2.637 -5.743 1.00 0.00 H new ATOM 0 HG2 LYS A 67 0.554 1.580 -6.465 1.00 0.00 H new ATOM 0 HG3 LYS A 67 0.181 0.496 -5.140 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -1.126 -0.941 -6.815 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -0.478 0.076 -8.087 1.00 0.00 H new ATOM 0 HE2 LYS A 67 1.212 -1.525 -6.110 1.00 0.00 H new ATOM 0 HE3 LYS A 67 0.857 -2.019 -7.754 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 2.945 -0.941 -7.740 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 1.848 0.112 -8.497 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 2.334 0.400 -6.896 1.00 0.00 H new ATOM 861 N LEU A 68 -4.017 2.126 -3.446 1.00 0.00 N ATOM 862 CA LEU A 68 -5.311 2.740 -3.124 1.00 0.00 C ATOM 863 C LEU A 68 -5.276 4.271 -3.200 1.00 0.00 C ATOM 864 O LEU A 68 -4.690 4.963 -2.362 1.00 0.00 O ATOM 865 CB LEU A 68 -5.744 2.248 -1.731 1.00 0.00 C ATOM 866 CG LEU A 68 -7.243 2.353 -1.388 1.00 0.00 C ATOM 867 CD1 LEU A 68 -7.795 3.772 -1.284 1.00 0.00 C ATOM 868 CD2 LEU A 68 -8.093 1.465 -2.288 1.00 0.00 C ATOM 0 H LEU A 68 -3.389 2.068 -2.644 1.00 0.00 H new ATOM 0 HA LEU A 68 -6.043 2.434 -3.871 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -5.446 1.204 -1.632 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -5.185 2.811 -0.984 1.00 0.00 H new ATOM 0 HG LEU A 68 -7.315 1.972 -0.369 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -8.856 3.732 -1.039 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -7.262 4.313 -0.502 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -7.661 4.285 -2.236 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -9.143 1.568 -2.014 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -7.958 1.765 -3.327 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -7.787 0.426 -2.168 1.00 0.00 H new ATOM 880 N ASN A 69 -5.922 4.759 -4.257 1.00 0.00 N ATOM 881 CA ASN A 69 -6.252 6.193 -4.404 1.00 0.00 C ATOM 882 C ASN A 69 -7.389 6.500 -3.434 1.00 0.00 C ATOM 883 O ASN A 69 -8.535 6.132 -3.685 1.00 0.00 O ATOM 884 CB ASN A 69 -6.709 6.504 -5.826 1.00 0.00 C ATOM 885 CG ASN A 69 -5.635 6.510 -6.918 1.00 0.00 C ATOM 886 OD1 ASN A 69 -4.548 5.954 -6.820 1.00 0.00 O ATOM 887 ND2 ASN A 69 -5.929 7.151 -8.026 1.00 0.00 N ATOM 0 H ASN A 69 -6.235 4.182 -5.038 1.00 0.00 H new ATOM 0 HA ASN A 69 -5.371 6.799 -4.193 1.00 0.00 H new ATOM 0 HB2 ASN A 69 -7.470 5.775 -6.104 1.00 0.00 H new ATOM 0 HB3 ASN A 69 -7.191 7.482 -5.820 1.00 0.00 H new ATOM 0 HD21 ASN A 69 -5.256 7.181 -8.792 1.00 0.00 H new ATOM 0 HD22 ASN A 69 -6.831 7.618 -8.121 1.00 0.00 H new ATOM 894 N THR A 70 -7.058 7.090 -2.298 1.00 0.00 N ATOM 895 CA THR A 70 -8.064 7.422 -1.270 1.00 0.00 C ATOM 896 C THR A 70 -9.279 8.211 -1.792 1.00 0.00 C ATOM 897 O THR A 70 -10.425 7.845 -1.551 1.00 0.00 O ATOM 898 CB THR A 70 -7.454 8.192 -0.102 1.00 0.00 C ATOM 899 OG1 THR A 70 -6.736 9.329 -0.600 1.00 0.00 O ATOM 900 CG2 THR A 70 -6.574 7.269 0.739 1.00 0.00 C ATOM 0 H THR A 70 -6.104 7.354 -2.052 1.00 0.00 H new ATOM 0 HA THR A 70 -8.423 6.448 -0.938 1.00 0.00 H new ATOM 0 HB THR A 70 -8.243 8.560 0.553 1.00 0.00 H new ATOM 0 HG1 THR A 70 -5.936 9.027 -1.079 1.00 0.00 H new ATOM 0 HG21 THR A 70 -6.145 7.831 1.569 1.00 0.00 H new ATOM 0 HG22 THR A 70 -7.176 6.449 1.129 1.00 0.00 H new ATOM 0 HG23 THR A 70 -5.772 6.868 0.120 1.00 0.00 H new ATOM 908 N ASP A 71 -8.982 9.120 -2.719 1.00 0.00 N ATOM 909 CA ASP A 71 -9.969 9.930 -3.464 1.00 0.00 C ATOM 910 C ASP A 71 -10.926 9.069 -4.312 1.00 0.00 C ATOM 911 O ASP A 71 -12.027 9.518 -4.622 1.00 0.00 O ATOM 912 CB ASP A 71 -9.193 10.908 -4.358 1.00 0.00 C ATOM 913 CG ASP A 71 -10.098 11.826 -5.172 1.00 0.00 C ATOM 914 OD1 ASP A 71 -10.516 12.864 -4.602 1.00 0.00 O ATOM 915 OD2 ASP A 71 -10.293 11.499 -6.353 1.00 0.00 O ATOM 0 H ASP A 71 -8.020 9.326 -2.987 1.00 0.00 H new ATOM 0 HA ASP A 71 -10.596 10.464 -2.750 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -8.536 11.515 -3.736 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -8.556 10.342 -5.037 1.00 0.00 H new ATOM 921 N GLU A 72 -10.423 7.932 -4.779 1.00 0.00 N ATOM 922 CA GLU A 72 -11.200 6.960 -5.571 1.00 0.00 C ATOM 923 C GLU A 72 -11.925 5.904 -4.714 1.00 0.00 C ATOM 924 O GLU A 72 -12.702 5.096 -5.236 1.00 0.00 O ATOM 925 CB GLU A 72 -10.223 6.298 -6.546 1.00 0.00 C ATOM 926 CG GLU A 72 -10.934 5.844 -7.817 1.00 0.00 C ATOM 927 CD GLU A 72 -9.928 5.404 -8.876 1.00 0.00 C ATOM 928 OE1 GLU A 72 -9.231 6.308 -9.403 1.00 0.00 O ATOM 929 OE2 GLU A 72 -9.866 4.177 -9.105 1.00 0.00 O ATOM 0 H GLU A 72 -9.456 7.648 -4.622 1.00 0.00 H new ATOM 0 HA GLU A 72 -11.998 7.487 -6.095 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -9.429 6.999 -6.801 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -9.750 5.442 -6.065 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -11.609 5.020 -7.586 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -11.546 6.658 -8.207 1.00 0.00 H new ATOM 937 N ALA A 73 -11.593 5.848 -3.426 1.00 0.00 N ATOM 938 CA ALA A 73 -12.232 4.917 -2.483 1.00 0.00 C ATOM 939 C ALA A 73 -12.605 5.566 -1.125 1.00 0.00 C ATOM 940 O ALA A 73 -12.039 5.227 -0.091 1.00 0.00 O ATOM 941 CB ALA A 73 -11.349 3.675 -2.329 1.00 0.00 C ATOM 0 H ALA A 73 -10.879 6.441 -3.003 1.00 0.00 H new ATOM 0 HA ALA A 73 -13.193 4.617 -2.901 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -11.817 2.980 -1.631 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -11.230 3.191 -3.298 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -10.371 3.969 -1.948 1.00 0.00 H new ATOM 947 N PRO A 74 -13.669 6.400 -1.106 1.00 0.00 N ATOM 948 CA PRO A 74 -14.178 7.017 0.141 1.00 0.00 C ATOM 949 C PRO A 74 -15.099 6.063 0.932 1.00 0.00 C ATOM 950 O PRO A 74 -16.058 6.459 1.591 1.00 0.00 O ATOM 951 CB PRO A 74 -14.919 8.286 -0.311 1.00 0.00 C ATOM 952 CG PRO A 74 -15.029 8.228 -1.834 1.00 0.00 C ATOM 953 CD PRO A 74 -14.435 6.894 -2.271 1.00 0.00 C ATOM 0 HA PRO A 74 -13.366 7.248 0.830 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -15.908 8.337 0.144 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -14.378 9.179 0.002 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -16.069 8.309 -2.149 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -14.491 9.058 -2.292 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -15.218 6.190 -2.553 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -13.790 7.018 -3.141 1.00 0.00 H new ATOM 961 N GLY A 75 -14.666 4.807 0.950 1.00 0.00 N ATOM 962 CA GLY A 75 -15.355 3.669 1.598 1.00 0.00 C ATOM 963 C GLY A 75 -14.317 2.768 2.274 1.00 0.00 C ATOM 964 O GLY A 75 -14.423 2.405 3.438 1.00 0.00 O ATOM 0 H GLY A 75 -13.793 4.531 0.500 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -16.071 4.034 2.334 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -15.919 3.102 0.858 1.00 0.00 H new ATOM 968 N ILE A 76 -13.263 2.494 1.508 1.00 0.00 N ATOM 969 CA ILE A 76 -12.081 1.772 2.004 1.00 0.00 C ATOM 970 C ILE A 76 -11.377 2.548 3.113 1.00 0.00 C ATOM 971 O ILE A 76 -11.480 2.172 4.283 1.00 0.00 O ATOM 972 CB ILE A 76 -11.202 1.420 0.791 1.00 0.00 C ATOM 973 CG1 ILE A 76 -11.960 0.565 -0.235 1.00 0.00 C ATOM 974 CG2 ILE A 76 -9.883 0.752 1.196 1.00 0.00 C ATOM 975 CD1 ILE A 76 -12.733 -0.608 0.371 1.00 0.00 C ATOM 0 H ILE A 76 -13.199 2.764 0.526 1.00 0.00 H new ATOM 0 HA ILE A 76 -12.359 0.836 2.488 1.00 0.00 H new ATOM 0 HB ILE A 76 -10.949 2.367 0.314 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -12.658 1.203 -0.778 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -11.249 0.178 -0.964 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -9.301 0.525 0.303 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -9.315 1.427 1.837 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -10.093 -0.171 1.737 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -13.239 -1.159 -0.422 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -12.040 -1.271 0.889 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -13.471 -0.231 1.078 1.00 0.00 H new ATOM 987 N ALA A 77 -10.955 3.753 2.757 1.00 0.00 N ATOM 988 CA ALA A 77 -10.320 4.698 3.691 1.00 0.00 C ATOM 989 C ALA A 77 -11.094 4.887 5.007 1.00 0.00 C ATOM 990 O ALA A 77 -10.534 4.698 6.086 1.00 0.00 O ATOM 991 CB ALA A 77 -10.139 6.045 2.972 1.00 0.00 C ATOM 0 H ALA A 77 -11.040 4.114 1.807 1.00 0.00 H new ATOM 0 HA ALA A 77 -9.357 4.277 3.981 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -9.669 6.759 3.649 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -9.507 5.907 2.095 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -11.112 6.425 2.662 1.00 0.00 H new ATOM 997 N THR A 78 -12.406 5.006 4.851 1.00 0.00 N ATOM 998 CA THR A 78 -13.422 5.116 5.908 1.00 0.00 C ATOM 999 C THR A 78 -13.359 3.911 6.867 1.00 0.00 C ATOM 1000 O THR A 78 -13.023 4.057 8.040 1.00 0.00 O ATOM 1001 CB THR A 78 -14.772 5.087 5.220 1.00 0.00 C ATOM 1002 OG1 THR A 78 -14.782 6.026 4.133 1.00 0.00 O ATOM 1003 CG2 THR A 78 -15.967 5.323 6.157 1.00 0.00 C ATOM 0 H THR A 78 -12.825 5.031 3.921 1.00 0.00 H new ATOM 0 HA THR A 78 -13.257 6.028 6.482 1.00 0.00 H new ATOM 0 HB THR A 78 -14.902 4.073 4.843 1.00 0.00 H new ATOM 0 HG1 THR A 78 -15.515 5.809 3.520 1.00 0.00 H new ATOM 0 HG21 THR A 78 -16.893 5.286 5.583 1.00 0.00 H new ATOM 0 HG22 THR A 78 -15.985 4.550 6.925 1.00 0.00 H new ATOM 0 HG23 THR A 78 -15.872 6.301 6.629 1.00 0.00 H new ATOM 1011 N GLN A 79 -13.602 2.747 6.282 1.00 0.00 N ATOM 1012 CA GLN A 79 -13.703 1.464 6.999 1.00 0.00 C ATOM 1013 C GLN A 79 -12.481 1.205 7.899 1.00 0.00 C ATOM 1014 O GLN A 79 -12.595 0.801 9.049 1.00 0.00 O ATOM 1015 CB GLN A 79 -13.788 0.312 5.992 1.00 0.00 C ATOM 1016 CG GLN A 79 -14.123 -1.046 6.609 1.00 0.00 C ATOM 1017 CD GLN A 79 -15.484 -1.054 7.310 1.00 0.00 C ATOM 1018 OE1 GLN A 79 -16.537 -1.160 6.690 1.00 0.00 O ATOM 1019 NE2 GLN A 79 -15.508 -0.843 8.608 1.00 0.00 N ATOM 0 H GLN A 79 -13.739 2.656 5.275 1.00 0.00 H new ATOM 0 HA GLN A 79 -14.598 1.518 7.619 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -14.544 0.554 5.245 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -12.836 0.234 5.468 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -14.116 -1.807 5.829 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -13.348 -1.317 7.326 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -14.634 -0.754 9.127 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -16.400 -0.768 9.096 1.00 0.00 H new ATOM 1028 N TYR A 80 -11.325 1.507 7.297 1.00 0.00 N ATOM 1029 CA TYR A 80 -10.004 1.278 7.903 1.00 0.00 C ATOM 1030 C TYR A 80 -9.486 2.449 8.758 1.00 0.00 C ATOM 1031 O TYR A 80 -8.442 2.327 9.390 1.00 0.00 O ATOM 1032 CB TYR A 80 -9.052 0.918 6.749 1.00 0.00 C ATOM 1033 CG TYR A 80 -9.477 -0.370 6.023 1.00 0.00 C ATOM 1034 CD1 TYR A 80 -9.717 -1.548 6.773 1.00 0.00 C ATOM 1035 CD2 TYR A 80 -9.912 -0.244 4.695 1.00 0.00 C ATOM 1036 CE1 TYR A 80 -10.456 -2.592 6.185 1.00 0.00 C ATOM 1037 CE2 TYR A 80 -10.657 -1.280 4.110 1.00 0.00 C ATOM 1038 CZ TYR A 80 -10.923 -2.441 4.865 1.00 0.00 C ATOM 1039 OH TYR A 80 -11.518 -3.501 4.265 1.00 0.00 O ATOM 0 H TYR A 80 -11.277 1.921 6.366 1.00 0.00 H new ATOM 0 HA TYR A 80 -10.072 0.465 8.626 1.00 0.00 H new ATOM 0 HB2 TYR A 80 -9.021 1.742 6.036 1.00 0.00 H new ATOM 0 HB3 TYR A 80 -8.041 0.796 7.139 1.00 0.00 H new ATOM 0 HD1 TYR A 80 -9.339 -1.643 7.780 1.00 0.00 H new ATOM 0 HD2 TYR A 80 -9.675 0.644 4.127 1.00 0.00 H new ATOM 0 HE1 TYR A 80 -10.662 -3.496 6.739 1.00 0.00 H new ATOM 0 HE2 TYR A 80 -11.021 -1.189 3.097 1.00 0.00 H new ATOM 0 HH TYR A 80 -12.101 -3.184 3.544 1.00 0.00 H new ATOM 1049 N ASN A 81 -10.231 3.565 8.773 1.00 0.00 N ATOM 1050 CA ASN A 81 -9.892 4.819 9.483 1.00 0.00 C ATOM 1051 C ASN A 81 -8.426 5.267 9.294 1.00 0.00 C ATOM 1052 O ASN A 81 -7.845 5.994 10.105 1.00 0.00 O ATOM 1053 CB ASN A 81 -10.285 4.695 10.969 1.00 0.00 C ATOM 1054 CG ASN A 81 -10.343 6.058 11.666 1.00 0.00 C ATOM 1055 OD1 ASN A 81 -9.620 6.342 12.608 1.00 0.00 O ATOM 1056 ND2 ASN A 81 -11.221 6.913 11.202 1.00 0.00 N ATOM 0 H ASN A 81 -11.119 3.627 8.275 1.00 0.00 H new ATOM 0 HA ASN A 81 -10.476 5.619 9.029 1.00 0.00 H new ATOM 0 HB2 ASN A 81 -11.257 4.207 11.047 1.00 0.00 H new ATOM 0 HB3 ASN A 81 -9.565 4.057 11.482 1.00 0.00 H new ATOM 0 HD21 ASN A 81 -11.310 7.835 11.629 1.00 0.00 H new ATOM 0 HD22 ASN A 81 -11.816 6.656 10.414 1.00 0.00 H new ATOM 1063 N ILE A 82 -7.937 5.053 8.076 1.00 0.00 N ATOM 1064 CA ILE A 82 -6.527 5.305 7.682 1.00 0.00 C ATOM 1065 C ILE A 82 -6.128 6.762 7.416 1.00 0.00 C ATOM 1066 O ILE A 82 -5.065 7.016 6.847 1.00 0.00 O ATOM 1067 CB ILE A 82 -6.154 4.402 6.502 1.00 0.00 C ATOM 1068 CG1 ILE A 82 -7.017 4.564 5.242 1.00 0.00 C ATOM 1069 CG2 ILE A 82 -6.125 2.928 6.904 1.00 0.00 C ATOM 1070 CD1 ILE A 82 -6.774 5.898 4.541 1.00 0.00 C ATOM 0 H ILE A 82 -8.508 4.693 7.311 1.00 0.00 H new ATOM 0 HA ILE A 82 -5.945 5.056 8.569 1.00 0.00 H new ATOM 0 HB ILE A 82 -5.155 4.745 6.232 1.00 0.00 H new ATOM 0 HG12 ILE A 82 -6.803 3.749 4.551 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -8.070 4.485 5.513 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -5.857 2.320 6.040 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -5.389 2.781 7.694 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -7.109 2.630 7.265 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -7.407 5.965 3.656 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -7.013 6.715 5.221 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -5.728 5.968 4.244 1.00 0.00 H new ATOM 1082 N ARG A 83 -6.828 7.655 8.083 1.00 0.00 N ATOM 1083 CA ARG A 83 -6.726 9.126 7.926 1.00 0.00 C ATOM 1084 C ARG A 83 -5.321 9.718 8.041 1.00 0.00 C ATOM 1085 O ARG A 83 -5.022 10.765 7.450 1.00 0.00 O ATOM 1086 CB ARG A 83 -7.609 9.809 8.960 1.00 0.00 C ATOM 1087 CG ARG A 83 -9.075 9.513 8.644 1.00 0.00 C ATOM 1088 CD ARG A 83 -9.951 10.253 9.654 1.00 0.00 C ATOM 1089 NE ARG A 83 -9.715 9.705 10.999 1.00 0.00 N ATOM 1090 CZ ARG A 83 -10.526 9.868 12.027 1.00 0.00 C ATOM 1091 NH1 ARG A 83 -11.671 10.513 11.899 1.00 0.00 N ATOM 1092 NH2 ARG A 83 -10.213 9.337 13.197 1.00 0.00 N ATOM 0 H ARG A 83 -7.518 7.384 8.784 1.00 0.00 H new ATOM 0 HA ARG A 83 -7.047 9.312 6.901 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -7.361 9.453 9.960 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -7.433 10.885 8.952 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -9.315 9.832 7.630 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -9.264 8.441 8.694 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -9.723 11.319 9.638 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -11.002 10.148 9.386 1.00 0.00 H new ATOM 0 HE ARG A 83 -8.865 9.161 11.147 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -11.942 10.896 10.993 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -12.284 10.628 12.706 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -9.349 8.805 13.301 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -10.836 9.459 13.996 1.00 0.00 H new ATOM 1106 N SER A 84 -4.444 8.960 8.683 1.00 0.00 N ATOM 1107 CA SER A 84 -3.040 9.351 8.793 1.00 0.00 C ATOM 1108 C SER A 84 -2.234 8.630 7.706 1.00 0.00 C ATOM 1109 O SER A 84 -1.912 7.443 7.765 1.00 0.00 O ATOM 1110 CB SER A 84 -2.477 9.109 10.186 1.00 0.00 C ATOM 1111 OG SER A 84 -1.069 9.350 10.120 1.00 0.00 O ATOM 0 H SER A 84 -4.675 8.075 9.134 1.00 0.00 H new ATOM 0 HA SER A 84 -2.962 10.427 8.636 1.00 0.00 H new ATOM 0 HB2 SER A 84 -2.947 9.772 10.912 1.00 0.00 H new ATOM 0 HB3 SER A 84 -2.678 8.088 10.510 1.00 0.00 H new ATOM 0 HG SER A 84 -0.670 9.205 11.003 1.00 0.00 H new ATOM 1117 N ILE A 85 -2.300 9.337 6.582 1.00 0.00 N ATOM 1118 CA ILE A 85 -1.623 9.007 5.324 1.00 0.00 C ATOM 1119 C ILE A 85 -0.264 9.737 5.345 1.00 0.00 C ATOM 1120 O ILE A 85 -0.264 10.908 5.722 1.00 0.00 O ATOM 1121 CB ILE A 85 -2.579 9.408 4.179 1.00 0.00 C ATOM 1122 CG1 ILE A 85 -3.802 8.488 4.191 1.00 0.00 C ATOM 1123 CG2 ILE A 85 -1.910 9.349 2.810 1.00 0.00 C ATOM 1124 CD1 ILE A 85 -5.129 9.232 3.998 1.00 0.00 C ATOM 0 H ILE A 85 -2.850 10.194 6.516 1.00 0.00 H new ATOM 0 HA ILE A 85 -1.402 7.949 5.180 1.00 0.00 H new ATOM 0 HB ILE A 85 -2.876 10.443 4.350 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -3.694 7.743 3.403 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -3.832 7.948 5.138 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -2.627 9.640 2.042 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -1.060 10.031 2.791 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -1.565 8.333 2.617 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -5.952 8.518 4.017 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -5.259 9.958 4.801 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -5.120 9.750 3.039 1.00 0.00 H new ATOM 1136 N PRO A 86 0.853 9.090 4.963 1.00 0.00 N ATOM 1137 CA PRO A 86 0.991 7.720 4.399 1.00 0.00 C ATOM 1138 C PRO A 86 0.545 6.559 5.292 1.00 0.00 C ATOM 1139 O PRO A 86 1.003 6.426 6.429 1.00 0.00 O ATOM 1140 CB PRO A 86 2.487 7.529 4.122 1.00 0.00 C ATOM 1141 CG PRO A 86 3.101 8.924 4.143 1.00 0.00 C ATOM 1142 CD PRO A 86 2.174 9.742 5.035 1.00 0.00 C ATOM 0 HA PRO A 86 0.334 7.678 3.531 1.00 0.00 H new ATOM 0 HB2 PRO A 86 2.945 6.890 4.877 1.00 0.00 H new ATOM 0 HB3 PRO A 86 2.647 7.047 3.157 1.00 0.00 H new ATOM 0 HG2 PRO A 86 4.116 8.904 4.540 1.00 0.00 H new ATOM 0 HG3 PRO A 86 3.159 9.346 3.140 1.00 0.00 H new ATOM 0 HD2 PRO A 86 2.541 9.765 6.061 1.00 0.00 H new ATOM 0 HD3 PRO A 86 2.117 10.776 4.693 1.00 0.00 H new ATOM 1150 N THR A 87 -0.305 5.701 4.722 1.00 0.00 N ATOM 1151 CA THR A 87 -0.728 4.469 5.419 1.00 0.00 C ATOM 1152 C THR A 87 -0.509 3.233 4.538 1.00 0.00 C ATOM 1153 O THR A 87 -0.691 3.269 3.321 1.00 0.00 O ATOM 1154 CB THR A 87 -2.213 4.453 5.787 1.00 0.00 C ATOM 1155 OG1 THR A 87 -2.822 5.730 5.586 1.00 0.00 O ATOM 1156 CG2 THR A 87 -2.383 3.949 7.221 1.00 0.00 C ATOM 0 H THR A 87 -0.712 5.827 3.795 1.00 0.00 H new ATOM 0 HA THR A 87 -0.120 4.449 6.324 1.00 0.00 H new ATOM 0 HB THR A 87 -2.732 3.764 5.120 1.00 0.00 H new ATOM 0 HG1 THR A 87 -2.544 6.341 6.300 1.00 0.00 H new ATOM 0 HG21 THR A 87 -3.442 3.939 7.480 1.00 0.00 H new ATOM 0 HG22 THR A 87 -1.980 2.940 7.302 1.00 0.00 H new ATOM 0 HG23 THR A 87 -1.849 4.609 7.904 1.00 0.00 H new ATOM 1164 N VAL A 88 -0.066 2.184 5.214 1.00 0.00 N ATOM 1165 CA VAL A 88 0.053 0.857 4.576 1.00 0.00 C ATOM 1166 C VAL A 88 -0.432 -0.270 5.505 1.00 0.00 C ATOM 1167 O VAL A 88 -0.104 -0.311 6.693 1.00 0.00 O ATOM 1168 CB VAL A 88 1.470 0.655 3.999 1.00 0.00 C ATOM 1169 CG1 VAL A 88 2.558 0.605 5.069 1.00 0.00 C ATOM 1170 CG2 VAL A 88 1.543 -0.588 3.115 1.00 0.00 C ATOM 0 H VAL A 88 0.217 2.211 6.194 1.00 0.00 H new ATOM 0 HA VAL A 88 -0.622 0.812 3.721 1.00 0.00 H new ATOM 0 HB VAL A 88 1.664 1.537 3.388 1.00 0.00 H new ATOM 0 HG11 VAL A 88 3.529 0.461 4.594 1.00 0.00 H new ATOM 0 HG12 VAL A 88 2.562 1.541 5.628 1.00 0.00 H new ATOM 0 HG13 VAL A 88 2.361 -0.223 5.750 1.00 0.00 H new ATOM 0 HG21 VAL A 88 2.555 -0.699 2.726 1.00 0.00 H new ATOM 0 HG22 VAL A 88 1.282 -1.468 3.702 1.00 0.00 H new ATOM 0 HG23 VAL A 88 0.844 -0.485 2.285 1.00 0.00 H new ATOM 1180 N LEU A 89 -1.289 -1.090 4.933 1.00 0.00 N ATOM 1181 CA LEU A 89 -1.890 -2.246 5.625 1.00 0.00 C ATOM 1182 C LEU A 89 -1.389 -3.588 5.067 1.00 0.00 C ATOM 1183 O LEU A 89 -1.220 -3.763 3.859 1.00 0.00 O ATOM 1184 CB LEU A 89 -3.424 -2.190 5.583 1.00 0.00 C ATOM 1185 CG LEU A 89 -4.029 -1.336 6.702 1.00 0.00 C ATOM 1186 CD1 LEU A 89 -3.798 0.167 6.487 1.00 0.00 C ATOM 1187 CD2 LEU A 89 -5.534 -1.597 6.758 1.00 0.00 C ATOM 0 H LEU A 89 -1.600 -0.985 3.967 1.00 0.00 H new ATOM 0 HA LEU A 89 -1.569 -2.182 6.665 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -3.740 -1.791 4.619 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -3.820 -3.203 5.654 1.00 0.00 H new ATOM 0 HG LEU A 89 -3.538 -1.616 7.634 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -4.247 0.725 7.309 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -2.727 0.369 6.453 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -4.255 0.475 5.547 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -5.978 -0.995 7.551 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -5.986 -1.329 5.803 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -5.713 -2.653 6.960 1.00 0.00 H new ATOM 1199 N PHE A 90 -1.247 -4.515 5.999 1.00 0.00 N ATOM 1200 CA PHE A 90 -0.697 -5.861 5.785 1.00 0.00 C ATOM 1201 C PHE A 90 -1.761 -6.892 6.185 1.00 0.00 C ATOM 1202 O PHE A 90 -2.239 -6.915 7.318 1.00 0.00 O ATOM 1203 CB PHE A 90 0.550 -6.092 6.636 1.00 0.00 C ATOM 1204 CG PHE A 90 1.668 -5.085 6.389 1.00 0.00 C ATOM 1205 CD1 PHE A 90 2.585 -5.332 5.345 1.00 0.00 C ATOM 1206 CD2 PHE A 90 1.587 -3.820 7.021 1.00 0.00 C ATOM 1207 CE1 PHE A 90 3.398 -4.275 4.892 1.00 0.00 C ATOM 1208 CE2 PHE A 90 2.386 -2.766 6.550 1.00 0.00 C ATOM 1209 CZ PHE A 90 3.274 -2.996 5.475 1.00 0.00 C ATOM 0 H PHE A 90 -1.520 -4.353 6.968 1.00 0.00 H new ATOM 0 HA PHE A 90 -0.423 -5.962 4.735 1.00 0.00 H new ATOM 0 HB2 PHE A 90 0.270 -6.057 7.689 1.00 0.00 H new ATOM 0 HB3 PHE A 90 0.929 -7.095 6.441 1.00 0.00 H new ATOM 0 HD1 PHE A 90 2.662 -6.314 4.902 1.00 0.00 H new ATOM 0 HD2 PHE A 90 0.918 -3.668 7.855 1.00 0.00 H new ATOM 0 HE1 PHE A 90 4.114 -4.443 4.101 1.00 0.00 H new ATOM 0 HE2 PHE A 90 2.323 -1.789 7.005 1.00 0.00 H new ATOM 0 HZ PHE A 90 3.868 -2.179 5.093 1.00 0.00 H new ATOM 1219 N PHE A 91 -2.200 -7.566 5.140 1.00 0.00 N ATOM 1220 CA PHE A 91 -3.230 -8.616 5.116 1.00 0.00 C ATOM 1221 C PHE A 91 -2.583 -9.958 4.795 1.00 0.00 C ATOM 1222 O PHE A 91 -1.475 -10.040 4.244 1.00 0.00 O ATOM 1223 CB PHE A 91 -4.242 -8.313 4.005 1.00 0.00 C ATOM 1224 CG PHE A 91 -5.074 -7.056 4.219 1.00 0.00 C ATOM 1225 CD1 PHE A 91 -4.549 -5.799 3.835 1.00 0.00 C ATOM 1226 CD2 PHE A 91 -6.397 -7.182 4.700 1.00 0.00 C ATOM 1227 CE1 PHE A 91 -5.368 -4.657 3.934 1.00 0.00 C ATOM 1228 CE2 PHE A 91 -7.214 -6.035 4.790 1.00 0.00 C ATOM 1229 CZ PHE A 91 -6.684 -4.785 4.403 1.00 0.00 C ATOM 0 H PHE A 91 -1.824 -7.389 4.208 1.00 0.00 H new ATOM 0 HA PHE A 91 -3.722 -8.649 6.088 1.00 0.00 H new ATOM 0 HB2 PHE A 91 -3.705 -8.219 3.061 1.00 0.00 H new ATOM 0 HB3 PHE A 91 -4.916 -9.164 3.906 1.00 0.00 H new ATOM 0 HD1 PHE A 91 -3.535 -5.716 3.471 1.00 0.00 H new ATOM 0 HD2 PHE A 91 -6.779 -8.148 4.996 1.00 0.00 H new ATOM 0 HE1 PHE A 91 -4.985 -3.688 3.650 1.00 0.00 H new ATOM 0 HE2 PHE A 91 -8.229 -6.112 5.150 1.00 0.00 H new ATOM 0 HZ PHE A 91 -7.307 -3.905 4.470 1.00 0.00 H new ATOM 1239 N LYS A 92 -3.298 -10.993 5.188 1.00 0.00 N ATOM 1240 CA LYS A 92 -2.953 -12.375 4.809 1.00 0.00 C ATOM 1241 C LYS A 92 -3.932 -12.826 3.694 1.00 0.00 C ATOM 1242 O LYS A 92 -3.872 -12.296 2.586 1.00 0.00 O ATOM 1243 CB LYS A 92 -2.960 -13.261 6.056 1.00 0.00 C ATOM 1244 CG LYS A 92 -2.134 -14.540 5.851 1.00 0.00 C ATOM 1245 CD LYS A 92 -0.640 -14.206 5.790 1.00 0.00 C ATOM 1246 CE LYS A 92 0.194 -15.463 5.552 1.00 0.00 C ATOM 1247 NZ LYS A 92 1.609 -15.074 5.531 1.00 0.00 N ATOM 0 H LYS A 92 -4.129 -10.916 5.774 1.00 0.00 H new ATOM 0 HA LYS A 92 -1.946 -12.453 4.400 1.00 0.00 H new ATOM 0 HB2 LYS A 92 -2.560 -12.702 6.902 1.00 0.00 H new ATOM 0 HB3 LYS A 92 -3.987 -13.528 6.307 1.00 0.00 H new ATOM 0 HG2 LYS A 92 -2.324 -15.238 6.666 1.00 0.00 H new ATOM 0 HG3 LYS A 92 -2.441 -15.035 4.929 1.00 0.00 H new ATOM 0 HD2 LYS A 92 -0.457 -13.487 4.991 1.00 0.00 H new ATOM 0 HD3 LYS A 92 -0.332 -13.732 6.722 1.00 0.00 H new ATOM 0 HE2 LYS A 92 0.012 -16.195 6.339 1.00 0.00 H new ATOM 0 HE3 LYS A 92 -0.086 -15.933 4.609 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 2.194 -15.903 5.303 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 1.756 -14.338 4.811 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 1.881 -14.705 6.464 1.00 0.00 H new ATOM 1261 N ASN A 93 -5.006 -13.481 4.108 1.00 0.00 N ATOM 1262 CA ASN A 93 -6.064 -14.023 3.242 1.00 0.00 C ATOM 1263 C ASN A 93 -7.364 -13.261 3.522 1.00 0.00 C ATOM 1264 O ASN A 93 -8.257 -13.702 4.242 1.00 0.00 O ATOM 1265 CB ASN A 93 -6.192 -15.530 3.527 1.00 0.00 C ATOM 1266 CG ASN A 93 -6.513 -15.856 4.989 1.00 0.00 C ATOM 1267 OD1 ASN A 93 -6.031 -15.254 5.939 1.00 0.00 O ATOM 1268 ND2 ASN A 93 -7.372 -16.829 5.196 1.00 0.00 N ATOM 0 H ASN A 93 -5.180 -13.662 5.097 1.00 0.00 H new ATOM 0 HA ASN A 93 -5.830 -13.898 2.185 1.00 0.00 H new ATOM 0 HB2 ASN A 93 -6.974 -15.946 2.891 1.00 0.00 H new ATOM 0 HB3 ASN A 93 -5.260 -16.023 3.250 1.00 0.00 H new ATOM 0 HD21 ASN A 93 -7.636 -17.082 6.148 1.00 0.00 H new ATOM 0 HD22 ASN A 93 -7.774 -17.331 4.405 1.00 0.00 H new ATOM 1275 N GLY A 94 -7.358 -12.018 3.034 1.00 0.00 N ATOM 1276 CA GLY A 94 -8.417 -11.033 3.304 1.00 0.00 C ATOM 1277 C GLY A 94 -8.638 -10.746 4.808 1.00 0.00 C ATOM 1278 O GLY A 94 -9.743 -10.385 5.220 1.00 0.00 O ATOM 0 H GLY A 94 -6.614 -11.661 2.435 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -8.169 -10.100 2.799 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -9.351 -11.391 2.871 1.00 0.00 H new ATOM 1282 N GLU A 95 -7.527 -10.695 5.538 1.00 0.00 N ATOM 1283 CA GLU A 95 -7.515 -10.517 7.005 1.00 0.00 C ATOM 1284 C GLU A 95 -6.297 -9.664 7.357 1.00 0.00 C ATOM 1285 O GLU A 95 -5.178 -10.054 7.038 1.00 0.00 O ATOM 1286 CB GLU A 95 -7.406 -11.859 7.746 1.00 0.00 C ATOM 1287 CG GLU A 95 -8.683 -12.700 7.663 1.00 0.00 C ATOM 1288 CD GLU A 95 -8.597 -13.918 8.571 1.00 0.00 C ATOM 1289 OE1 GLU A 95 -8.072 -14.958 8.108 1.00 0.00 O ATOM 1290 OE2 GLU A 95 -9.043 -13.793 9.732 1.00 0.00 O ATOM 0 H GLU A 95 -6.595 -10.776 5.132 1.00 0.00 H new ATOM 0 HA GLU A 95 -8.449 -10.044 7.309 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -6.575 -12.430 7.330 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -7.171 -11.670 8.793 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -9.542 -12.091 7.946 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -8.845 -13.021 6.634 1.00 0.00 H new ATOM 1298 N ARG A 96 -6.544 -8.559 8.055 1.00 0.00 N ATOM 1299 CA ARG A 96 -5.461 -7.618 8.359 1.00 0.00 C ATOM 1300 C ARG A 96 -4.761 -7.996 9.664 1.00 0.00 C ATOM 1301 O ARG A 96 -5.339 -8.573 10.588 1.00 0.00 O ATOM 1302 CB ARG A 96 -5.894 -6.146 8.403 1.00 0.00 C ATOM 1303 CG ARG A 96 -6.922 -5.818 9.495 1.00 0.00 C ATOM 1304 CD ARG A 96 -6.857 -4.346 9.917 1.00 0.00 C ATOM 1305 NE ARG A 96 -5.594 -3.972 10.583 1.00 0.00 N ATOM 1306 CZ ARG A 96 -5.111 -4.399 11.759 1.00 0.00 C ATOM 1307 NH1 ARG A 96 -5.709 -5.336 12.480 1.00 0.00 N ATOM 1308 NH2 ARG A 96 -4.002 -3.872 12.257 1.00 0.00 N ATOM 0 H ARG A 96 -7.461 -8.293 8.415 1.00 0.00 H new ATOM 0 HA ARG A 96 -4.766 -7.705 7.524 1.00 0.00 H new ATOM 0 HB2 ARG A 96 -5.011 -5.525 8.554 1.00 0.00 H new ATOM 0 HB3 ARG A 96 -6.313 -5.874 7.434 1.00 0.00 H new ATOM 0 HG2 ARG A 96 -7.924 -6.048 9.132 1.00 0.00 H new ATOM 0 HG3 ARG A 96 -6.745 -6.453 10.363 1.00 0.00 H new ATOM 0 HD2 ARG A 96 -6.992 -3.719 9.036 1.00 0.00 H new ATOM 0 HD3 ARG A 96 -7.688 -4.134 10.589 1.00 0.00 H new ATOM 0 HE ARG A 96 -5.012 -3.300 10.083 1.00 0.00 H new ATOM 0 HH11 ARG A 96 -6.573 -5.763 12.146 1.00 0.00 H new ATOM 0 HH12 ARG A 96 -5.306 -5.630 13.369 1.00 0.00 H new ATOM 0 HH21 ARG A 96 -3.512 -3.138 11.746 1.00 0.00 H new ATOM 0 HH22 ARG A 96 -3.639 -4.200 13.152 1.00 0.00 H new ATOM 1322 N LYS A 97 -3.462 -7.790 9.575 1.00 0.00 N ATOM 1323 CA LYS A 97 -2.462 -8.189 10.576 1.00 0.00 C ATOM 1324 C LYS A 97 -1.753 -6.971 11.205 1.00 0.00 C ATOM 1325 O LYS A 97 -1.597 -6.894 12.427 1.00 0.00 O ATOM 1326 CB LYS A 97 -1.394 -9.068 9.896 1.00 0.00 C ATOM 1327 CG LYS A 97 -1.923 -9.980 8.767 1.00 0.00 C ATOM 1328 CD LYS A 97 -2.747 -11.189 9.207 1.00 0.00 C ATOM 1329 CE LYS A 97 -1.974 -12.231 10.034 1.00 0.00 C ATOM 1330 NZ LYS A 97 -0.896 -12.826 9.244 1.00 0.00 N ATOM 0 H LYS A 97 -3.045 -7.320 8.772 1.00 0.00 H new ATOM 0 HA LYS A 97 -2.983 -8.731 11.365 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -0.619 -8.420 9.487 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -0.921 -9.691 10.655 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -2.533 -9.376 8.096 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -1.071 -10.338 8.188 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -3.596 -10.838 9.793 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -3.152 -11.677 8.320 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -1.560 -11.760 10.926 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -2.656 -13.011 10.373 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -0.315 -13.436 9.854 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -1.303 -13.393 8.473 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -0.303 -12.072 8.843 1.00 0.00 H new ATOM 1344 N GLU A 98 -1.352 -6.024 10.350 1.00 0.00 N ATOM 1345 CA GLU A 98 -0.548 -4.860 10.751 1.00 0.00 C ATOM 1346 C GLU A 98 -0.941 -3.615 9.933 1.00 0.00 C ATOM 1347 O GLU A 98 -1.258 -3.712 8.746 1.00 0.00 O ATOM 1348 CB GLU A 98 0.929 -5.233 10.549 1.00 0.00 C ATOM 1349 CG GLU A 98 1.972 -4.178 10.925 1.00 0.00 C ATOM 1350 CD GLU A 98 1.921 -3.736 12.385 1.00 0.00 C ATOM 1351 OE1 GLU A 98 1.305 -2.671 12.626 1.00 0.00 O ATOM 1352 OE2 GLU A 98 2.508 -4.438 13.236 1.00 0.00 O ATOM 0 H GLU A 98 -1.576 -6.042 9.355 1.00 0.00 H new ATOM 0 HA GLU A 98 -0.726 -4.607 11.796 1.00 0.00 H new ATOM 0 HB2 GLU A 98 1.133 -6.133 11.130 1.00 0.00 H new ATOM 0 HB3 GLU A 98 1.072 -5.491 9.500 1.00 0.00 H new ATOM 0 HG2 GLU A 98 2.965 -4.574 10.712 1.00 0.00 H new ATOM 0 HG3 GLU A 98 1.834 -3.304 10.288 1.00 0.00 H new ATOM 1360 N SER A 99 -0.922 -2.466 10.612 1.00 0.00 N ATOM 1361 CA SER A 99 -1.248 -1.163 10.000 1.00 0.00 C ATOM 1362 C SER A 99 -0.159 -0.144 10.354 1.00 0.00 C ATOM 1363 O SER A 99 -0.009 0.287 11.493 1.00 0.00 O ATOM 1364 CB SER A 99 -2.585 -0.632 10.525 1.00 0.00 C ATOM 1365 OG SER A 99 -3.567 -1.660 10.418 1.00 0.00 O ATOM 0 H SER A 99 -0.681 -2.406 11.601 1.00 0.00 H new ATOM 0 HA SER A 99 -1.312 -1.304 8.921 1.00 0.00 H new ATOM 0 HB2 SER A 99 -2.483 -0.315 11.563 1.00 0.00 H new ATOM 0 HB3 SER A 99 -2.893 0.244 9.954 1.00 0.00 H new ATOM 0 HG SER A 99 -4.426 -1.328 10.754 1.00 0.00 H new ATOM 1371 N ILE A 100 0.670 0.129 9.348 1.00 0.00 N ATOM 1372 CA ILE A 100 1.785 1.080 9.473 1.00 0.00 C ATOM 1373 C ILE A 100 1.337 2.470 8.995 1.00 0.00 C ATOM 1374 O ILE A 100 1.176 2.739 7.807 1.00 0.00 O ATOM 1375 CB ILE A 100 3.022 0.534 8.737 1.00 0.00 C ATOM 1376 CG1 ILE A 100 3.472 -0.816 9.311 1.00 0.00 C ATOM 1377 CG2 ILE A 100 4.192 1.525 8.684 1.00 0.00 C ATOM 1378 CD1 ILE A 100 3.719 -0.862 10.826 1.00 0.00 C ATOM 0 H ILE A 100 0.593 -0.298 8.425 1.00 0.00 H new ATOM 0 HA ILE A 100 2.079 1.195 10.516 1.00 0.00 H new ATOM 0 HB ILE A 100 2.704 0.382 7.706 1.00 0.00 H new ATOM 0 HG12 ILE A 100 2.716 -1.562 9.065 1.00 0.00 H new ATOM 0 HG13 ILE A 100 4.390 -1.114 8.805 1.00 0.00 H new ATOM 0 HG21 ILE A 100 5.028 1.073 8.151 1.00 0.00 H new ATOM 0 HG22 ILE A 100 3.878 2.431 8.165 1.00 0.00 H new ATOM 0 HG23 ILE A 100 4.502 1.777 9.698 1.00 0.00 H new ATOM 0 HD11 ILE A 100 4.032 -1.866 11.113 1.00 0.00 H new ATOM 0 HD12 ILE A 100 4.500 -0.149 11.089 1.00 0.00 H new ATOM 0 HD13 ILE A 100 2.800 -0.604 11.352 1.00 0.00 H new ATOM 1390 N ILE A 101 0.913 3.213 10.016 1.00 0.00 N ATOM 1391 CA ILE A 101 0.567 4.635 9.930 1.00 0.00 C ATOM 1392 C ILE A 101 1.882 5.442 9.976 1.00 0.00 C ATOM 1393 O ILE A 101 2.757 5.159 10.793 1.00 0.00 O ATOM 1394 CB ILE A 101 -0.364 4.944 11.116 1.00 0.00 C ATOM 1395 CG1 ILE A 101 -1.716 4.226 10.984 1.00 0.00 C ATOM 1396 CG2 ILE A 101 -0.602 6.436 11.313 1.00 0.00 C ATOM 1397 CD1 ILE A 101 -1.858 3.119 12.029 1.00 0.00 C ATOM 0 H ILE A 101 0.796 2.833 10.955 1.00 0.00 H new ATOM 0 HA ILE A 101 0.049 4.899 9.008 1.00 0.00 H new ATOM 0 HB ILE A 101 0.158 4.568 11.996 1.00 0.00 H new ATOM 0 HG12 ILE A 101 -2.526 4.946 11.101 1.00 0.00 H new ATOM 0 HG13 ILE A 101 -1.809 3.801 9.985 1.00 0.00 H new ATOM 0 HG21 ILE A 101 -1.266 6.589 12.164 1.00 0.00 H new ATOM 0 HG22 ILE A 101 0.349 6.935 11.500 1.00 0.00 H new ATOM 0 HG23 ILE A 101 -1.060 6.853 10.416 1.00 0.00 H new ATOM 0 HD11 ILE A 101 -2.824 2.629 11.911 1.00 0.00 H new ATOM 0 HD12 ILE A 101 -1.061 2.387 11.895 1.00 0.00 H new ATOM 0 HD13 ILE A 101 -1.790 3.550 13.028 1.00 0.00 H new ATOM 1409 N GLY A 102 1.979 6.410 9.076 1.00 0.00 N ATOM 1410 CA GLY A 102 3.184 7.252 8.902 1.00 0.00 C ATOM 1411 C GLY A 102 4.314 6.448 8.222 1.00 0.00 C ATOM 1412 O GLY A 102 5.474 6.521 8.618 1.00 0.00 O ATOM 0 H GLY A 102 1.223 6.646 8.433 1.00 0.00 H new ATOM 0 HA2 GLY A 102 2.939 8.127 8.300 1.00 0.00 H new ATOM 0 HA3 GLY A 102 3.523 7.617 9.872 1.00 0.00 H new ATOM 1416 N ALA A 103 3.906 5.696 7.196 1.00 0.00 N ATOM 1417 CA ALA A 103 4.776 4.800 6.411 1.00 0.00 C ATOM 1418 C ALA A 103 5.792 5.563 5.547 1.00 0.00 C ATOM 1419 O ALA A 103 5.506 6.055 4.456 1.00 0.00 O ATOM 1420 CB ALA A 103 3.886 3.882 5.567 1.00 0.00 C ATOM 0 H ALA A 103 2.938 5.690 6.876 1.00 0.00 H new ATOM 0 HA ALA A 103 5.378 4.204 7.097 1.00 0.00 H new ATOM 0 HB1 ALA A 103 4.511 3.211 4.978 1.00 0.00 H new ATOM 0 HB2 ALA A 103 3.242 3.296 6.223 1.00 0.00 H new ATOM 0 HB3 ALA A 103 3.271 4.485 4.899 1.00 0.00 H new ATOM 1426 N VAL A 104 6.851 5.927 6.267 1.00 0.00 N ATOM 1427 CA VAL A 104 8.035 6.622 5.711 1.00 0.00 C ATOM 1428 C VAL A 104 9.346 5.791 5.858 1.00 0.00 C ATOM 1429 O VAL A 104 10.042 5.674 4.856 1.00 0.00 O ATOM 1430 CB VAL A 104 8.149 8.053 6.287 1.00 0.00 C ATOM 1431 CG1 VAL A 104 9.332 8.830 5.698 1.00 0.00 C ATOM 1432 CG2 VAL A 104 6.871 8.881 6.085 1.00 0.00 C ATOM 0 H VAL A 104 6.923 5.750 7.269 1.00 0.00 H new ATOM 0 HA VAL A 104 7.888 6.720 4.635 1.00 0.00 H new ATOM 0 HB VAL A 104 8.310 7.908 7.355 1.00 0.00 H new ATOM 0 HG11 VAL A 104 9.366 9.828 6.136 1.00 0.00 H new ATOM 0 HG12 VAL A 104 10.260 8.304 5.921 1.00 0.00 H new ATOM 0 HG13 VAL A 104 9.212 8.912 4.618 1.00 0.00 H new ATOM 0 HG21 VAL A 104 7.011 9.875 6.509 1.00 0.00 H new ATOM 0 HG22 VAL A 104 6.658 8.968 5.019 1.00 0.00 H new ATOM 0 HG23 VAL A 104 6.036 8.388 6.583 1.00 0.00 H new ATOM 1442 N PRO A 105 9.697 5.198 7.022 1.00 0.00 N ATOM 1443 CA PRO A 105 10.952 4.433 7.161 1.00 0.00 C ATOM 1444 C PRO A 105 10.839 3.030 6.555 1.00 0.00 C ATOM 1445 O PRO A 105 10.390 2.073 7.190 1.00 0.00 O ATOM 1446 CB PRO A 105 11.282 4.450 8.649 1.00 0.00 C ATOM 1447 CG PRO A 105 9.908 4.497 9.321 1.00 0.00 C ATOM 1448 CD PRO A 105 9.042 5.300 8.348 1.00 0.00 C ATOM 0 HA PRO A 105 11.771 4.880 6.598 1.00 0.00 H new ATOM 0 HB2 PRO A 105 11.843 3.564 8.945 1.00 0.00 H new ATOM 0 HB3 PRO A 105 11.889 5.316 8.915 1.00 0.00 H new ATOM 0 HG2 PRO A 105 9.507 3.496 9.478 1.00 0.00 H new ATOM 0 HG3 PRO A 105 9.959 4.977 10.298 1.00 0.00 H new ATOM 0 HD2 PRO A 105 8.028 4.902 8.312 1.00 0.00 H new ATOM 0 HD3 PRO A 105 8.965 6.340 8.664 1.00 0.00 H new ATOM 1456 N LYS A 106 11.362 2.962 5.340 1.00 0.00 N ATOM 1457 CA LYS A 106 11.377 1.808 4.426 1.00 0.00 C ATOM 1458 C LYS A 106 11.571 0.425 5.077 1.00 0.00 C ATOM 1459 O LYS A 106 10.758 -0.474 4.885 1.00 0.00 O ATOM 1460 CB LYS A 106 12.488 2.134 3.410 1.00 0.00 C ATOM 1461 CG LYS A 106 12.366 1.370 2.094 1.00 0.00 C ATOM 1462 CD LYS A 106 13.118 0.046 2.108 1.00 0.00 C ATOM 1463 CE LYS A 106 12.617 -0.865 0.998 1.00 0.00 C ATOM 1464 NZ LYS A 106 11.264 -1.327 1.359 1.00 0.00 N ATOM 0 H LYS A 106 11.826 3.771 4.926 1.00 0.00 H new ATOM 0 HA LYS A 106 10.392 1.693 3.974 1.00 0.00 H new ATOM 0 HB2 LYS A 106 12.473 3.204 3.201 1.00 0.00 H new ATOM 0 HB3 LYS A 106 13.455 1.911 3.860 1.00 0.00 H new ATOM 0 HG2 LYS A 106 11.313 1.182 1.885 1.00 0.00 H new ATOM 0 HG3 LYS A 106 12.747 1.990 1.283 1.00 0.00 H new ATOM 0 HD2 LYS A 106 14.186 0.227 1.984 1.00 0.00 H new ATOM 0 HD3 LYS A 106 12.988 -0.442 3.074 1.00 0.00 H new ATOM 0 HE2 LYS A 106 12.596 -0.331 0.048 1.00 0.00 H new ATOM 0 HE3 LYS A 106 13.288 -1.715 0.871 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 11.148 -2.320 1.072 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 11.132 -1.246 2.387 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 10.556 -0.741 0.872 1.00 0.00 H new ATOM 1478 N SER A 107 12.521 0.354 6.006 1.00 0.00 N ATOM 1479 CA SER A 107 12.875 -0.867 6.759 1.00 0.00 C ATOM 1480 C SER A 107 11.775 -1.407 7.669 1.00 0.00 C ATOM 1481 O SER A 107 11.567 -2.613 7.738 1.00 0.00 O ATOM 1482 CB SER A 107 14.139 -0.587 7.581 1.00 0.00 C ATOM 1483 OG SER A 107 13.966 0.671 8.247 1.00 0.00 O ATOM 0 H SER A 107 13.087 1.161 6.270 1.00 0.00 H new ATOM 0 HA SER A 107 13.037 -1.648 6.017 1.00 0.00 H new ATOM 0 HB2 SER A 107 14.305 -1.383 8.307 1.00 0.00 H new ATOM 0 HB3 SER A 107 15.016 -0.558 6.934 1.00 0.00 H new ATOM 0 HG SER A 107 14.763 0.871 8.781 1.00 0.00 H new ATOM 1489 N THR A 108 11.061 -0.504 8.351 1.00 0.00 N ATOM 1490 CA THR A 108 9.890 -0.841 9.191 1.00 0.00 C ATOM 1491 C THR A 108 8.797 -1.544 8.385 1.00 0.00 C ATOM 1492 O THR A 108 8.212 -2.537 8.823 1.00 0.00 O ATOM 1493 CB THR A 108 9.348 0.471 9.805 1.00 0.00 C ATOM 1494 OG1 THR A 108 10.417 1.116 10.486 1.00 0.00 O ATOM 1495 CG2 THR A 108 8.136 0.271 10.721 1.00 0.00 C ATOM 0 H THR A 108 11.276 0.493 8.340 1.00 0.00 H new ATOM 0 HA THR A 108 10.198 -1.533 9.975 1.00 0.00 H new ATOM 0 HB THR A 108 8.977 1.098 8.994 1.00 0.00 H new ATOM 0 HG1 THR A 108 10.095 1.953 10.882 1.00 0.00 H new ATOM 0 HG21 THR A 108 7.813 1.235 11.113 1.00 0.00 H new ATOM 0 HG22 THR A 108 7.322 -0.181 10.154 1.00 0.00 H new ATOM 0 HG23 THR A 108 8.409 -0.384 11.548 1.00 0.00 H new ATOM 1503 N LEU A 109 8.605 -1.037 7.181 1.00 0.00 N ATOM 1504 CA LEU A 109 7.682 -1.586 6.174 1.00 0.00 C ATOM 1505 C LEU A 109 8.089 -3.002 5.740 1.00 0.00 C ATOM 1506 O LEU A 109 7.241 -3.886 5.729 1.00 0.00 O ATOM 1507 CB LEU A 109 7.579 -0.661 4.949 1.00 0.00 C ATOM 1508 CG LEU A 109 6.726 0.558 5.303 1.00 0.00 C ATOM 1509 CD1 LEU A 109 7.541 1.715 5.894 1.00 0.00 C ATOM 1510 CD2 LEU A 109 6.026 1.086 4.055 1.00 0.00 C ATOM 0 H LEU A 109 9.097 -0.205 6.855 1.00 0.00 H new ATOM 0 HA LEU A 109 6.700 -1.648 6.644 1.00 0.00 H new ATOM 0 HB2 LEU A 109 8.573 -0.344 4.634 1.00 0.00 H new ATOM 0 HB3 LEU A 109 7.135 -1.198 4.110 1.00 0.00 H new ATOM 0 HG LEU A 109 6.014 0.215 6.054 1.00 0.00 H new ATOM 0 HD11 LEU A 109 6.877 2.548 6.123 1.00 0.00 H new ATOM 0 HD12 LEU A 109 8.035 1.383 6.807 1.00 0.00 H new ATOM 0 HD13 LEU A 109 8.292 2.037 5.172 1.00 0.00 H new ATOM 0 HD21 LEU A 109 5.421 1.954 4.317 1.00 0.00 H new ATOM 0 HD22 LEU A 109 6.772 1.374 3.314 1.00 0.00 H new ATOM 0 HD23 LEU A 109 5.384 0.308 3.641 1.00 0.00 H new ATOM 1522 N THR A 110 9.397 -3.237 5.656 1.00 0.00 N ATOM 1523 CA THR A 110 9.957 -4.576 5.352 1.00 0.00 C ATOM 1524 C THR A 110 9.763 -5.540 6.532 1.00 0.00 C ATOM 1525 O THR A 110 9.220 -6.630 6.404 1.00 0.00 O ATOM 1526 CB THR A 110 11.430 -4.535 4.937 1.00 0.00 C ATOM 1527 OG1 THR A 110 11.660 -3.481 3.988 1.00 0.00 O ATOM 1528 CG2 THR A 110 11.774 -5.868 4.288 1.00 0.00 C ATOM 0 H THR A 110 10.105 -2.516 5.794 1.00 0.00 H new ATOM 0 HA THR A 110 9.397 -4.946 4.493 1.00 0.00 H new ATOM 0 HB THR A 110 12.050 -4.353 5.815 1.00 0.00 H new ATOM 0 HG1 THR A 110 12.013 -3.861 3.156 1.00 0.00 H new ATOM 0 HG21 THR A 110 12.820 -5.865 3.983 1.00 0.00 H new ATOM 0 HG22 THR A 110 11.607 -6.674 5.002 1.00 0.00 H new ATOM 0 HG23 THR A 110 11.141 -6.021 3.414 1.00 0.00 H new ATOM 1536 N ASP A 111 10.128 -5.016 7.694 1.00 0.00 N ATOM 1537 CA ASP A 111 9.938 -5.650 9.020 1.00 0.00 C ATOM 1538 C ASP A 111 8.475 -6.129 9.190 1.00 0.00 C ATOM 1539 O ASP A 111 8.240 -7.310 9.460 1.00 0.00 O ATOM 1540 CB ASP A 111 10.286 -4.559 10.026 1.00 0.00 C ATOM 1541 CG ASP A 111 10.415 -5.060 11.471 1.00 0.00 C ATOM 1542 OD1 ASP A 111 9.567 -4.630 12.284 1.00 0.00 O ATOM 1543 OD2 ASP A 111 11.378 -5.812 11.731 1.00 0.00 O ATOM 0 H ASP A 111 10.582 -4.105 7.757 1.00 0.00 H new ATOM 0 HA ASP A 111 10.561 -6.534 9.152 1.00 0.00 H new ATOM 0 HB2 ASP A 111 11.225 -4.092 9.729 1.00 0.00 H new ATOM 0 HB3 ASP A 111 9.519 -3.786 9.988 1.00 0.00 H new ATOM 1549 N SER A 112 7.567 -5.273 8.732 1.00 0.00 N ATOM 1550 CA SER A 112 6.107 -5.467 8.779 1.00 0.00 C ATOM 1551 C SER A 112 5.519 -6.670 8.056 1.00 0.00 C ATOM 1552 O SER A 112 4.574 -7.262 8.563 1.00 0.00 O ATOM 1553 CB SER A 112 5.345 -4.210 8.375 1.00 0.00 C ATOM 1554 OG SER A 112 5.442 -3.242 9.427 1.00 0.00 O ATOM 0 H SER A 112 7.830 -4.388 8.299 1.00 0.00 H new ATOM 0 HA SER A 112 5.964 -5.694 9.836 1.00 0.00 H new ATOM 0 HB2 SER A 112 5.755 -3.803 7.451 1.00 0.00 H new ATOM 0 HB3 SER A 112 4.300 -4.450 8.181 1.00 0.00 H new ATOM 0 HG SER A 112 6.333 -2.834 9.415 1.00 0.00 H new ATOM 1560 N ILE A 113 6.113 -7.059 6.934 1.00 0.00 N ATOM 1561 CA ILE A 113 5.684 -8.308 6.267 1.00 0.00 C ATOM 1562 C ILE A 113 6.228 -9.532 7.001 1.00 0.00 C ATOM 1563 O ILE A 113 5.476 -10.377 7.479 1.00 0.00 O ATOM 1564 CB ILE A 113 6.102 -8.603 4.827 1.00 0.00 C ATOM 1565 CG1 ILE A 113 7.328 -7.863 4.308 1.00 0.00 C ATOM 1566 CG2 ILE A 113 4.876 -8.586 3.920 1.00 0.00 C ATOM 1567 CD1 ILE A 113 7.062 -6.409 3.984 1.00 0.00 C ATOM 0 H ILE A 113 6.869 -6.556 6.470 1.00 0.00 H new ATOM 0 HA ILE A 113 4.608 -8.132 6.280 1.00 0.00 H new ATOM 0 HB ILE A 113 6.502 -9.617 4.817 1.00 0.00 H new ATOM 0 HG12 ILE A 113 8.121 -7.922 5.054 1.00 0.00 H new ATOM 0 HG13 ILE A 113 7.694 -8.366 3.413 1.00 0.00 H new ATOM 0 HG21 ILE A 113 5.179 -8.797 2.894 1.00 0.00 H new ATOM 0 HG22 ILE A 113 4.167 -9.345 4.252 1.00 0.00 H new ATOM 0 HG23 ILE A 113 4.404 -7.604 3.964 1.00 0.00 H new ATOM 0 HD11 ILE A 113 7.978 -5.944 3.620 1.00 0.00 H new ATOM 0 HD12 ILE A 113 6.291 -6.342 3.216 1.00 0.00 H new ATOM 0 HD13 ILE A 113 6.725 -5.892 4.882 1.00 0.00 H new ATOM 1579 N GLU A 114 7.534 -9.484 7.163 1.00 0.00 N ATOM 1580 CA GLU A 114 8.393 -10.570 7.659 1.00 0.00 C ATOM 1581 C GLU A 114 7.954 -11.091 9.045 1.00 0.00 C ATOM 1582 O GLU A 114 8.014 -12.279 9.343 1.00 0.00 O ATOM 1583 CB GLU A 114 9.844 -10.104 7.682 1.00 0.00 C ATOM 1584 CG GLU A 114 10.218 -9.581 6.295 1.00 0.00 C ATOM 1585 CD GLU A 114 11.694 -9.159 6.248 1.00 0.00 C ATOM 1586 OE1 GLU A 114 12.485 -9.956 5.710 1.00 0.00 O ATOM 1587 OE2 GLU A 114 11.991 -8.062 6.779 1.00 0.00 O ATOM 0 H GLU A 114 8.067 -8.643 6.943 1.00 0.00 H new ATOM 0 HA GLU A 114 8.293 -11.412 6.974 1.00 0.00 H new ATOM 0 HB2 GLU A 114 9.977 -9.321 8.429 1.00 0.00 H new ATOM 0 HB3 GLU A 114 10.500 -10.928 7.964 1.00 0.00 H new ATOM 0 HG2 GLU A 114 10.033 -10.353 5.549 1.00 0.00 H new ATOM 0 HG3 GLU A 114 9.584 -8.732 6.039 1.00 0.00 H new ATOM 1595 N LYS A 115 7.405 -10.140 9.795 1.00 0.00 N ATOM 1596 CA LYS A 115 6.675 -10.260 11.062 1.00 0.00 C ATOM 1597 C LYS A 115 5.724 -11.479 11.108 1.00 0.00 C ATOM 1598 O LYS A 115 5.711 -12.245 12.069 1.00 0.00 O ATOM 1599 CB LYS A 115 5.915 -8.933 11.060 1.00 0.00 C ATOM 1600 CG LYS A 115 5.033 -8.682 12.283 1.00 0.00 C ATOM 1601 CD LYS A 115 4.278 -7.357 12.138 1.00 0.00 C ATOM 1602 CE LYS A 115 5.177 -6.123 12.305 1.00 0.00 C ATOM 1603 NZ LYS A 115 5.644 -6.022 13.696 1.00 0.00 N ATOM 0 H LYS A 115 7.464 -9.164 9.504 1.00 0.00 H new ATOM 0 HA LYS A 115 7.313 -10.428 11.930 1.00 0.00 H new ATOM 0 HB2 LYS A 115 6.637 -8.120 10.981 1.00 0.00 H new ATOM 0 HB3 LYS A 115 5.290 -8.893 10.168 1.00 0.00 H new ATOM 0 HG2 LYS A 115 4.323 -9.501 12.401 1.00 0.00 H new ATOM 0 HG3 LYS A 115 5.647 -8.661 13.183 1.00 0.00 H new ATOM 0 HD2 LYS A 115 3.804 -7.322 11.157 1.00 0.00 H new ATOM 0 HD3 LYS A 115 3.480 -7.319 12.879 1.00 0.00 H new ATOM 0 HE2 LYS A 115 6.031 -6.192 11.631 1.00 0.00 H new ATOM 0 HE3 LYS A 115 4.626 -5.223 12.032 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 6.046 -5.077 13.859 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 4.844 -6.174 14.343 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 6.372 -6.743 13.871 1.00 0.00 H new ATOM 1617 N TYR A 116 4.964 -11.624 10.029 1.00 0.00 N ATOM 1618 CA TYR A 116 3.965 -12.699 9.841 1.00 0.00 C ATOM 1619 C TYR A 116 4.286 -13.631 8.668 1.00 0.00 C ATOM 1620 O TYR A 116 3.944 -14.809 8.676 1.00 0.00 O ATOM 1621 CB TYR A 116 2.579 -12.070 9.683 1.00 0.00 C ATOM 1622 CG TYR A 116 2.425 -11.182 8.449 1.00 0.00 C ATOM 1623 CD1 TYR A 116 1.962 -11.768 7.249 1.00 0.00 C ATOM 1624 CD2 TYR A 116 2.595 -9.781 8.575 1.00 0.00 C ATOM 1625 CE1 TYR A 116 1.670 -10.954 6.151 1.00 0.00 C ATOM 1626 CE2 TYR A 116 2.289 -8.964 7.476 1.00 0.00 C ATOM 1627 CZ TYR A 116 1.832 -9.558 6.273 1.00 0.00 C ATOM 1628 OH TYR A 116 1.471 -8.768 5.229 1.00 0.00 O ATOM 0 H TYR A 116 5.018 -10.987 9.234 1.00 0.00 H new ATOM 0 HA TYR A 116 3.990 -13.332 10.728 1.00 0.00 H new ATOM 0 HB2 TYR A 116 1.835 -12.866 9.638 1.00 0.00 H new ATOM 0 HB3 TYR A 116 2.359 -11.478 10.571 1.00 0.00 H new ATOM 0 HD1 TYR A 116 1.835 -12.838 7.181 1.00 0.00 H new ATOM 0 HD2 TYR A 116 2.953 -9.351 9.499 1.00 0.00 H new ATOM 0 HE1 TYR A 116 1.326 -11.387 5.223 1.00 0.00 H new ATOM 0 HE2 TYR A 116 2.401 -7.892 7.546 1.00 0.00 H new ATOM 0 HH TYR A 116 0.595 -9.051 4.892 1.00 0.00 H new ATOM 1638 N LEU A 117 4.877 -13.044 7.621 1.00 0.00 N ATOM 1639 CA LEU A 117 5.346 -13.733 6.404 1.00 0.00 C ATOM 1640 C LEU A 117 6.756 -14.225 6.724 1.00 0.00 C ATOM 1641 O LEU A 117 7.804 -13.853 6.201 1.00 0.00 O ATOM 1642 CB LEU A 117 5.302 -12.700 5.285 1.00 0.00 C ATOM 1643 CG LEU A 117 5.631 -13.268 3.906 1.00 0.00 C ATOM 1644 CD1 LEU A 117 4.628 -14.335 3.448 1.00 0.00 C ATOM 1645 CD2 LEU A 117 5.629 -12.083 2.949 1.00 0.00 C ATOM 0 H LEU A 117 5.050 -12.039 7.593 1.00 0.00 H new ATOM 0 HA LEU A 117 4.747 -14.588 6.092 1.00 0.00 H new ATOM 0 HB2 LEU A 117 4.308 -12.253 5.255 1.00 0.00 H new ATOM 0 HB3 LEU A 117 6.005 -11.899 5.515 1.00 0.00 H new ATOM 0 HG LEU A 117 6.597 -13.772 3.932 1.00 0.00 H new ATOM 0 HD11 LEU A 117 4.912 -14.702 2.462 1.00 0.00 H new ATOM 0 HD12 LEU A 117 4.628 -15.163 4.157 1.00 0.00 H new ATOM 0 HD13 LEU A 117 3.630 -13.899 3.399 1.00 0.00 H new ATOM 0 HD21 LEU A 117 5.859 -12.429 1.941 1.00 0.00 H new ATOM 0 HD22 LEU A 117 4.646 -11.612 2.955 1.00 0.00 H new ATOM 0 HD23 LEU A 117 6.380 -11.359 3.265 1.00 0.00 H new TER 1657 LEU A 117