USER MOD reduce.3.24.130724 H: found=0, std=0, add=899, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 901 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 85 TYR OH : rot 30:sc= 0 USER MOD Set 1.2: A 98 LYS NZ :NH3+ 155:sc= 0.0505 (180deg=0) USER MOD Set 2.1: A 29 TYR OH : rot -27:sc= 0.874 USER MOD Set 2.2: A 53 SER OG : rot -69:sc= -0.245 USER MOD Single : A 8 GLN : amide:sc= -0.646 X(o=-0.65,f=-0.89) USER MOD Single : A 10 SER OG : rot 29:sc= -1.43 USER MOD Single : A 11 LYS NZ :NH3+ -136:sc= 0 (180deg=-1.6!) USER MOD Single : A 14 ASN : amide:sc= 0 K(o=0,f=-0.97) USER MOD Single : A 20 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.00216) USER MOD Single : A 22 SER OG : rot 93:sc= 1.45 USER MOD Single : A 25 CYS SG : rot 71:sc= -3.11! USER MOD Single : A 28 LYS NZ :NH3+ 161:sc= 0.728 (180deg=0.494) USER MOD Single : A 30 THR OG1 : rot -8:sc= 0.193 USER MOD Single : A 37 HIS : no HD1:sc= -8.59! K(o=-8.6!,f=-5.4) USER MOD Single : A 41 GLN : amide:sc= 0.0428 K(o=0.043,f=-0.54) USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 GLN : amide:sc= -0.825 K(o=-0.83,f=-5.8!) USER MOD Single : A 46 ASN : amide:sc= -5.99! C(o=-6!,f=-6.2!) USER MOD Single : A 48 CYS SG : rot 53:sc= 0.153 USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 63 ASN : amide:sc= 0.385 X(o=0.38,f=0.18) USER MOD Single : A 65 SER OG : rot -105:sc= 0.00162 USER MOD Single : A 67 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 TYR OH : rot 180:sc= 0 USER MOD Single : A 101 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 104 ASN : amide:sc= 0 X(o=0,f=-0.11) USER MOD Single : A 107 CYS SG : rot -140:sc= -1.54 USER MOD Single : A 111 LYS NZ :NH3+ -145:sc= -1.84 (180deg=-3.56!) USER MOD Single : A 117 HIS : no HD1:sc= -0.344 X(o=-0.34,f=-0.02) USER MOD Single : A 122 MET CE :methyl -176:sc= -2.01 (180deg=-2.07) USER MOD Single : A 124 CYS SG : rot -45:sc= 1.3 USER MOD ----------------------------------------------------------------- ATOM 58 N VAL A 4 0.926 2.357 -19.250 1.00 0.00 N ATOM 59 CA VAL A 4 1.659 3.524 -18.780 1.00 0.00 C ATOM 60 C VAL A 4 1.363 4.746 -19.641 1.00 0.00 C ATOM 61 O VAL A 4 1.277 4.655 -20.865 1.00 0.00 O ATOM 62 CB VAL A 4 3.182 3.277 -18.769 1.00 0.00 C ATOM 63 CG1 VAL A 4 3.601 2.574 -17.487 1.00 0.00 C ATOM 64 CG2 VAL A 4 3.610 2.477 -19.990 1.00 0.00 C ATOM 0 HA VAL A 4 1.324 3.709 -17.760 1.00 0.00 H new ATOM 0 HB VAL A 4 3.684 4.244 -18.808 1.00 0.00 H new ATOM 0 HG11 VAL A 4 4.678 2.409 -17.498 1.00 0.00 H new ATOM 0 HG12 VAL A 4 3.338 3.193 -16.630 1.00 0.00 H new ATOM 0 HG13 VAL A 4 3.088 1.615 -17.413 1.00 0.00 H new ATOM 0 HG21 VAL A 4 4.688 2.316 -19.960 1.00 0.00 H new ATOM 0 HG22 VAL A 4 3.099 1.514 -19.992 1.00 0.00 H new ATOM 0 HG23 VAL A 4 3.351 3.027 -20.895 1.00 0.00 H new ATOM 74 N VAL A 5 1.212 5.889 -18.986 1.00 0.00 N ATOM 75 CA VAL A 5 0.927 7.144 -19.671 1.00 0.00 C ATOM 76 C VAL A 5 2.219 7.878 -20.024 1.00 0.00 C ATOM 77 O VAL A 5 3.224 7.742 -19.327 1.00 0.00 O ATOM 78 CB VAL A 5 0.044 8.068 -18.812 1.00 0.00 C ATOM 79 CG1 VAL A 5 -1.319 7.434 -18.574 1.00 0.00 C ATOM 80 CG2 VAL A 5 0.730 8.394 -17.492 1.00 0.00 C ATOM 0 H VAL A 5 1.283 5.974 -17.972 1.00 0.00 H new ATOM 0 HA VAL A 5 0.390 6.892 -20.585 1.00 0.00 H new ATOM 0 HB VAL A 5 -0.105 9.002 -19.354 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -1.929 8.101 -17.965 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -1.813 7.263 -19.531 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -1.193 6.484 -18.055 1.00 0.00 H new ATOM 0 HG21 VAL A 5 0.089 9.048 -16.901 1.00 0.00 H new ATOM 0 HG22 VAL A 5 0.915 7.472 -16.941 1.00 0.00 H new ATOM 0 HG23 VAL A 5 1.677 8.896 -17.689 1.00 0.00 H new ATOM 90 N PRO A 6 2.208 8.670 -21.115 1.00 0.00 N ATOM 91 CA PRO A 6 3.372 9.431 -21.567 1.00 0.00 C ATOM 92 C PRO A 6 4.193 9.981 -20.404 1.00 0.00 C ATOM 93 O PRO A 6 5.423 9.990 -20.449 1.00 0.00 O ATOM 94 CB PRO A 6 2.758 10.577 -22.391 1.00 0.00 C ATOM 95 CG PRO A 6 1.280 10.313 -22.453 1.00 0.00 C ATOM 96 CD PRO A 6 1.064 8.896 -21.996 1.00 0.00 C ATOM 0 HA PRO A 6 4.067 8.812 -22.134 1.00 0.00 H new ATOM 0 HB2 PRO A 6 2.961 11.541 -21.925 1.00 0.00 H new ATOM 0 HB3 PRO A 6 3.189 10.609 -23.392 1.00 0.00 H new ATOM 0 HG2 PRO A 6 0.737 11.010 -21.815 1.00 0.00 H new ATOM 0 HG3 PRO A 6 0.906 10.452 -23.467 1.00 0.00 H new ATOM 0 HD2 PRO A 6 0.117 8.779 -21.469 1.00 0.00 H new ATOM 0 HD3 PRO A 6 1.052 8.197 -22.832 1.00 0.00 H new ATOM 104 N ASP A 7 3.504 10.423 -19.357 1.00 0.00 N ATOM 105 CA ASP A 7 4.160 10.952 -18.178 1.00 0.00 C ATOM 106 C ASP A 7 3.407 10.506 -16.929 1.00 0.00 C ATOM 107 O ASP A 7 2.447 11.141 -16.501 1.00 0.00 O ATOM 108 CB ASP A 7 4.237 12.477 -18.245 1.00 0.00 C ATOM 109 CG ASP A 7 5.280 12.961 -19.233 1.00 0.00 C ATOM 110 OD1 ASP A 7 6.360 12.338 -19.309 1.00 0.00 O ATOM 111 OD2 ASP A 7 5.017 13.962 -19.933 1.00 0.00 O ATOM 0 H ASP A 7 2.485 10.423 -19.306 1.00 0.00 H new ATOM 0 HA ASP A 7 5.178 10.565 -18.134 1.00 0.00 H new ATOM 0 HB2 ASP A 7 3.262 12.875 -18.526 1.00 0.00 H new ATOM 0 HB3 ASP A 7 4.468 12.870 -17.255 1.00 0.00 H new ATOM 116 N GLN A 8 3.848 9.397 -16.359 1.00 0.00 N ATOM 117 CA GLN A 8 3.221 8.850 -15.164 1.00 0.00 C ATOM 118 C GLN A 8 3.373 9.832 -14.014 1.00 0.00 C ATOM 119 O GLN A 8 2.434 10.069 -13.251 1.00 0.00 O ATOM 120 CB GLN A 8 3.825 7.489 -14.798 1.00 0.00 C ATOM 121 CG GLN A 8 5.319 7.378 -15.067 1.00 0.00 C ATOM 122 CD GLN A 8 5.624 6.715 -16.396 1.00 0.00 C ATOM 123 OE1 GLN A 8 6.233 7.319 -17.279 1.00 0.00 O ATOM 124 NE2 GLN A 8 5.200 5.466 -16.546 1.00 0.00 N ATOM 0 H GLN A 8 4.640 8.855 -16.705 1.00 0.00 H new ATOM 0 HA GLN A 8 2.161 8.696 -15.364 1.00 0.00 H new ATOM 0 HB2 GLN A 8 3.642 7.295 -13.741 1.00 0.00 H new ATOM 0 HB3 GLN A 8 3.307 6.711 -15.359 1.00 0.00 H new ATOM 0 HG2 GLN A 8 5.762 8.374 -15.052 1.00 0.00 H new ATOM 0 HG3 GLN A 8 5.788 6.808 -14.265 1.00 0.00 H new ATOM 0 HE21 GLN A 8 4.699 5.003 -15.788 1.00 0.00 H new ATOM 0 HE22 GLN A 8 5.375 4.969 -17.419 1.00 0.00 H new ATOM 133 N ARG A 9 4.552 10.430 -13.923 1.00 0.00 N ATOM 134 CA ARG A 9 4.819 11.423 -12.898 1.00 0.00 C ATOM 135 C ARG A 9 3.983 12.658 -13.167 1.00 0.00 C ATOM 136 O ARG A 9 3.674 13.418 -12.251 1.00 0.00 O ATOM 137 CB ARG A 9 6.304 11.786 -12.865 1.00 0.00 C ATOM 138 CG ARG A 9 7.217 10.596 -12.618 1.00 0.00 C ATOM 139 CD ARG A 9 7.744 10.017 -13.922 1.00 0.00 C ATOM 140 NE ARG A 9 9.195 10.141 -14.027 1.00 0.00 N ATOM 141 CZ ARG A 9 9.936 9.472 -14.908 1.00 0.00 C ATOM 142 NH1 ARG A 9 9.364 8.628 -15.760 1.00 0.00 N ATOM 143 NH2 ARG A 9 11.250 9.645 -14.937 1.00 0.00 N ATOM 0 H ARG A 9 5.337 10.244 -14.547 1.00 0.00 H new ATOM 0 HA ARG A 9 4.553 11.008 -11.926 1.00 0.00 H new ATOM 0 HB2 ARG A 9 6.577 12.252 -13.812 1.00 0.00 H new ATOM 0 HB3 ARG A 9 6.470 12.529 -12.085 1.00 0.00 H new ATOM 0 HG2 ARG A 9 8.054 10.902 -11.990 1.00 0.00 H new ATOM 0 HG3 ARG A 9 6.673 9.826 -12.071 1.00 0.00 H new ATOM 0 HD2 ARG A 9 7.464 8.966 -13.992 1.00 0.00 H new ATOM 0 HD3 ARG A 9 7.274 10.529 -14.762 1.00 0.00 H new ATOM 0 HE ARG A 9 9.669 10.778 -13.387 1.00 0.00 H new ATOM 0 HH11 ARG A 9 8.353 8.491 -15.741 1.00 0.00 H new ATOM 0 HH12 ARG A 9 9.935 8.118 -16.433 1.00 0.00 H new ATOM 0 HH21 ARG A 9 11.694 10.291 -14.284 1.00 0.00 H new ATOM 0 HH22 ARG A 9 11.817 9.132 -15.612 1.00 0.00 H new ATOM 157 N SER A 10 3.599 12.851 -14.428 1.00 0.00 N ATOM 158 CA SER A 10 2.775 13.997 -14.782 1.00 0.00 C ATOM 159 C SER A 10 1.449 13.919 -14.046 1.00 0.00 C ATOM 160 O SER A 10 0.841 14.940 -13.728 1.00 0.00 O ATOM 161 CB SER A 10 2.542 14.073 -16.296 1.00 0.00 C ATOM 162 OG SER A 10 3.550 14.840 -16.932 1.00 0.00 O ATOM 0 H SER A 10 3.842 12.239 -15.207 1.00 0.00 H new ATOM 0 HA SER A 10 3.302 14.904 -14.484 1.00 0.00 H new ATOM 0 HB2 SER A 10 2.528 13.067 -16.715 1.00 0.00 H new ATOM 0 HB3 SER A 10 1.566 14.515 -16.495 1.00 0.00 H new ATOM 0 HG SER A 10 4.383 14.775 -16.419 1.00 0.00 H new ATOM 168 N LYS A 11 1.018 12.698 -13.753 1.00 0.00 N ATOM 169 CA LYS A 11 -0.219 12.490 -13.029 1.00 0.00 C ATOM 170 C LYS A 11 0.034 12.604 -11.538 1.00 0.00 C ATOM 171 O LYS A 11 -0.555 13.435 -10.862 1.00 0.00 O ATOM 172 CB LYS A 11 -0.827 11.127 -13.365 1.00 0.00 C ATOM 173 CG LYS A 11 -1.638 11.123 -14.650 1.00 0.00 C ATOM 174 CD LYS A 11 -0.738 11.124 -15.874 1.00 0.00 C ATOM 175 CE LYS A 11 -1.499 11.535 -17.125 1.00 0.00 C ATOM 176 NZ LYS A 11 -2.689 10.672 -17.361 1.00 0.00 N ATOM 0 H LYS A 11 1.510 11.841 -14.007 1.00 0.00 H new ATOM 0 HA LYS A 11 -0.931 13.258 -13.330 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -0.026 10.392 -13.448 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -1.466 10.810 -12.541 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -2.283 10.245 -14.672 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -2.288 11.997 -14.674 1.00 0.00 H new ATOM 0 HD2 LYS A 11 0.096 11.807 -15.713 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -0.313 10.130 -16.015 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -1.817 12.573 -17.032 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -0.835 11.481 -17.988 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -2.738 10.416 -18.368 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -2.610 9.808 -16.788 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -3.551 11.188 -17.092 1.00 0.00 H new ATOM 190 N PHE A 12 0.937 11.787 -11.026 1.00 0.00 N ATOM 191 CA PHE A 12 1.267 11.843 -9.613 1.00 0.00 C ATOM 192 C PHE A 12 1.670 13.265 -9.222 1.00 0.00 C ATOM 193 O PHE A 12 1.634 13.626 -8.046 1.00 0.00 O ATOM 194 CB PHE A 12 2.401 10.865 -9.278 1.00 0.00 C ATOM 195 CG PHE A 12 2.162 10.063 -8.026 1.00 0.00 C ATOM 196 CD1 PHE A 12 0.907 9.544 -7.751 1.00 0.00 C ATOM 197 CD2 PHE A 12 3.191 9.823 -7.126 1.00 0.00 C ATOM 198 CE1 PHE A 12 0.680 8.806 -6.606 1.00 0.00 C ATOM 199 CE2 PHE A 12 2.967 9.081 -5.978 1.00 0.00 C ATOM 200 CZ PHE A 12 1.711 8.574 -5.720 1.00 0.00 C ATOM 0 H PHE A 12 1.450 11.085 -11.560 1.00 0.00 H new ATOM 0 HA PHE A 12 0.383 11.553 -9.044 1.00 0.00 H new ATOM 0 HB2 PHE A 12 2.538 10.181 -10.116 1.00 0.00 H new ATOM 0 HB3 PHE A 12 3.330 11.424 -9.168 1.00 0.00 H new ATOM 0 HD1 PHE A 12 0.095 9.719 -8.442 1.00 0.00 H new ATOM 0 HD2 PHE A 12 4.176 10.219 -7.323 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -0.305 8.411 -6.405 1.00 0.00 H new ATOM 0 HE2 PHE A 12 3.776 8.900 -5.285 1.00 0.00 H new ATOM 0 HZ PHE A 12 1.535 7.996 -4.825 1.00 0.00 H new ATOM 210 N GLU A 13 2.075 14.067 -10.214 1.00 0.00 N ATOM 211 CA GLU A 13 2.507 15.439 -9.945 1.00 0.00 C ATOM 212 C GLU A 13 1.423 16.484 -10.233 1.00 0.00 C ATOM 213 O GLU A 13 1.426 17.561 -9.637 1.00 0.00 O ATOM 214 CB GLU A 13 3.772 15.763 -10.747 1.00 0.00 C ATOM 215 CG GLU A 13 3.507 16.166 -12.190 1.00 0.00 C ATOM 216 CD GLU A 13 4.777 16.243 -13.015 1.00 0.00 C ATOM 217 OE1 GLU A 13 5.388 15.182 -13.265 1.00 0.00 O ATOM 218 OE2 GLU A 13 5.161 17.363 -13.412 1.00 0.00 O ATOM 0 H GLU A 13 2.112 13.793 -11.196 1.00 0.00 H new ATOM 0 HA GLU A 13 2.718 15.492 -8.877 1.00 0.00 H new ATOM 0 HB2 GLU A 13 4.308 16.570 -10.248 1.00 0.00 H new ATOM 0 HB3 GLU A 13 4.427 14.892 -10.739 1.00 0.00 H new ATOM 0 HG2 GLU A 13 2.825 15.447 -12.645 1.00 0.00 H new ATOM 0 HG3 GLU A 13 3.007 17.135 -12.207 1.00 0.00 H new ATOM 225 N ASN A 14 0.527 16.195 -11.173 1.00 0.00 N ATOM 226 CA ASN A 14 -0.511 17.157 -11.546 1.00 0.00 C ATOM 227 C ASN A 14 -1.907 16.747 -11.079 1.00 0.00 C ATOM 228 O ASN A 14 -2.744 17.603 -10.792 1.00 0.00 O ATOM 229 CB ASN A 14 -0.516 17.348 -13.063 1.00 0.00 C ATOM 230 CG ASN A 14 -1.490 18.419 -13.512 1.00 0.00 C ATOM 231 OD1 ASN A 14 -1.801 19.346 -12.764 1.00 0.00 O ATOM 232 ND2 ASN A 14 -1.980 18.297 -14.742 1.00 0.00 N ATOM 0 H ASN A 14 0.496 15.314 -11.686 1.00 0.00 H new ATOM 0 HA ASN A 14 -0.268 18.092 -11.042 1.00 0.00 H new ATOM 0 HB2 ASN A 14 0.488 17.612 -13.396 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -0.773 16.404 -13.544 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -2.640 18.988 -15.099 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -1.695 17.513 -15.329 1.00 0.00 H new ATOM 239 N GLU A 15 -2.163 15.449 -11.016 1.00 0.00 N ATOM 240 CA GLU A 15 -3.475 14.956 -10.595 1.00 0.00 C ATOM 241 C GLU A 15 -3.770 15.346 -9.147 1.00 0.00 C ATOM 242 O GLU A 15 -2.906 15.250 -8.283 1.00 0.00 O ATOM 243 CB GLU A 15 -3.559 13.440 -10.767 1.00 0.00 C ATOM 244 CG GLU A 15 -3.842 13.005 -12.195 1.00 0.00 C ATOM 245 CD GLU A 15 -5.295 12.636 -12.414 1.00 0.00 C ATOM 246 OE1 GLU A 15 -6.154 13.542 -12.351 1.00 0.00 O ATOM 247 OE2 GLU A 15 -5.577 11.442 -12.648 1.00 0.00 O ATOM 0 H GLU A 15 -1.489 14.720 -11.248 1.00 0.00 H new ATOM 0 HA GLU A 15 -4.229 15.421 -11.231 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -2.621 12.993 -10.439 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -4.342 13.052 -10.116 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -3.569 13.810 -12.877 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -3.213 12.150 -12.442 1.00 0.00 H new ATOM 254 N GLU A 16 -4.996 15.805 -8.903 1.00 0.00 N ATOM 255 CA GLU A 16 -5.411 16.241 -7.565 1.00 0.00 C ATOM 256 C GLU A 16 -5.490 15.082 -6.574 1.00 0.00 C ATOM 257 O GLU A 16 -4.626 14.953 -5.707 1.00 0.00 O ATOM 258 CB GLU A 16 -6.754 16.979 -7.624 1.00 0.00 C ATOM 259 CG GLU A 16 -7.784 16.333 -8.538 1.00 0.00 C ATOM 260 CD GLU A 16 -8.246 17.258 -9.647 1.00 0.00 C ATOM 261 OE1 GLU A 16 -8.901 18.276 -9.338 1.00 0.00 O ATOM 262 OE2 GLU A 16 -7.953 16.964 -10.825 1.00 0.00 O ATOM 0 H GLU A 16 -5.723 15.886 -9.614 1.00 0.00 H new ATOM 0 HA GLU A 16 -4.643 16.926 -7.206 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -7.166 17.040 -6.617 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -6.579 18.001 -7.959 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -7.359 15.431 -8.977 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -8.646 16.024 -7.946 1.00 0.00 H new ATOM 269 N PHE A 17 -6.513 14.235 -6.696 1.00 0.00 N ATOM 270 CA PHE A 17 -6.661 13.099 -5.793 1.00 0.00 C ATOM 271 C PHE A 17 -5.366 12.318 -5.762 1.00 0.00 C ATOM 272 O PHE A 17 -4.909 11.876 -4.713 1.00 0.00 O ATOM 273 CB PHE A 17 -7.833 12.205 -6.241 1.00 0.00 C ATOM 274 CG PHE A 17 -7.492 10.740 -6.340 1.00 0.00 C ATOM 275 CD1 PHE A 17 -6.822 10.246 -7.448 1.00 0.00 C ATOM 276 CD2 PHE A 17 -7.832 9.864 -5.322 1.00 0.00 C ATOM 277 CE1 PHE A 17 -6.500 8.905 -7.540 1.00 0.00 C ATOM 278 CE2 PHE A 17 -7.512 8.522 -5.407 1.00 0.00 C ATOM 279 CZ PHE A 17 -6.845 8.042 -6.517 1.00 0.00 C ATOM 0 H PHE A 17 -7.243 14.314 -7.404 1.00 0.00 H new ATOM 0 HA PHE A 17 -6.883 13.458 -4.788 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -8.658 12.328 -5.539 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -8.188 12.550 -7.212 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -6.548 10.917 -8.249 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -8.353 10.234 -4.452 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -5.980 8.532 -8.410 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -7.783 7.850 -4.606 1.00 0.00 H new ATOM 0 HZ PHE A 17 -6.593 6.994 -6.586 1.00 0.00 H new ATOM 289 N PHE A 18 -4.788 12.161 -6.935 1.00 0.00 N ATOM 290 CA PHE A 18 -3.553 11.448 -7.099 1.00 0.00 C ATOM 291 C PHE A 18 -2.441 12.156 -6.332 1.00 0.00 C ATOM 292 O PHE A 18 -1.502 11.520 -5.857 1.00 0.00 O ATOM 293 CB PHE A 18 -3.251 11.389 -8.593 1.00 0.00 C ATOM 294 CG PHE A 18 -2.571 10.143 -9.034 1.00 0.00 C ATOM 295 CD1 PHE A 18 -2.885 8.944 -8.437 1.00 0.00 C ATOM 296 CD2 PHE A 18 -1.649 10.166 -10.054 1.00 0.00 C ATOM 297 CE1 PHE A 18 -2.285 7.772 -8.848 1.00 0.00 C ATOM 298 CE2 PHE A 18 -1.035 9.001 -10.477 1.00 0.00 C ATOM 299 CZ PHE A 18 -1.355 7.799 -9.870 1.00 0.00 C ATOM 0 H PHE A 18 -5.171 12.531 -7.805 1.00 0.00 H new ATOM 0 HA PHE A 18 -3.626 10.436 -6.701 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -4.185 11.493 -9.144 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -2.627 12.242 -8.859 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -3.610 8.920 -7.637 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -1.402 11.104 -10.530 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -2.541 6.837 -8.373 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -0.310 9.029 -11.277 1.00 0.00 H new ATOM 0 HZ PHE A 18 -0.879 6.885 -10.194 1.00 0.00 H new ATOM 309 N ARG A 19 -2.573 13.475 -6.186 1.00 0.00 N ATOM 310 CA ARG A 19 -1.597 14.260 -5.442 1.00 0.00 C ATOM 311 C ARG A 19 -1.906 14.179 -3.952 1.00 0.00 C ATOM 312 O ARG A 19 -1.112 13.648 -3.172 1.00 0.00 O ATOM 313 CB ARG A 19 -1.606 15.720 -5.898 1.00 0.00 C ATOM 314 CG ARG A 19 -0.527 16.039 -6.922 1.00 0.00 C ATOM 315 CD ARG A 19 0.021 17.443 -6.736 1.00 0.00 C ATOM 316 NE ARG A 19 -1.041 18.447 -6.705 1.00 0.00 N ATOM 317 CZ ARG A 19 -1.555 18.959 -5.586 1.00 0.00 C ATOM 318 NH1 ARG A 19 -1.116 18.566 -4.397 1.00 0.00 N ATOM 319 NH2 ARG A 19 -2.517 19.869 -5.660 1.00 0.00 N ATOM 0 H ARG A 19 -3.345 14.018 -6.573 1.00 0.00 H new ATOM 0 HA ARG A 19 -0.605 13.851 -5.633 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -2.582 15.954 -6.324 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -1.474 16.365 -5.029 1.00 0.00 H new ATOM 0 HG2 ARG A 19 0.284 15.316 -6.834 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -0.937 15.938 -7.927 1.00 0.00 H new ATOM 0 HD2 ARG A 19 0.591 17.490 -5.808 1.00 0.00 H new ATOM 0 HD3 ARG A 19 0.713 17.672 -7.547 1.00 0.00 H new ATOM 0 HE ARG A 19 -1.413 18.777 -7.596 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -0.378 17.865 -4.332 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -1.517 18.965 -3.548 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -2.861 20.175 -6.570 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -2.913 20.263 -4.807 1.00 0.00 H new ATOM 333 N LYS A 20 -3.083 14.677 -3.559 1.00 0.00 N ATOM 334 CA LYS A 20 -3.488 14.624 -2.156 1.00 0.00 C ATOM 335 C LYS A 20 -3.325 13.204 -1.623 1.00 0.00 C ATOM 336 O LYS A 20 -3.108 12.999 -0.428 1.00 0.00 O ATOM 337 CB LYS A 20 -4.929 15.112 -1.968 1.00 0.00 C ATOM 338 CG LYS A 20 -5.912 14.527 -2.963 1.00 0.00 C ATOM 339 CD LYS A 20 -6.874 15.585 -3.491 1.00 0.00 C ATOM 340 CE LYS A 20 -8.322 15.149 -3.337 1.00 0.00 C ATOM 341 NZ LYS A 20 -8.887 15.549 -2.019 1.00 0.00 N ATOM 0 H LYS A 20 -3.761 15.114 -4.184 1.00 0.00 H new ATOM 0 HA LYS A 20 -2.842 15.294 -1.589 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -5.257 14.863 -0.959 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -4.948 16.199 -2.050 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -5.367 14.083 -3.796 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -6.477 13.725 -2.488 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -6.716 16.521 -2.956 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -6.661 15.779 -4.542 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -8.920 15.588 -4.136 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -8.388 14.067 -3.447 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -9.881 15.248 -1.961 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -8.343 15.097 -1.257 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -8.832 16.583 -1.917 1.00 0.00 H new ATOM 355 N LEU A 21 -3.392 12.226 -2.529 1.00 0.00 N ATOM 356 CA LEU A 21 -3.210 10.830 -2.153 1.00 0.00 C ATOM 357 C LEU A 21 -1.729 10.483 -2.221 1.00 0.00 C ATOM 358 O LEU A 21 -1.204 9.783 -1.357 1.00 0.00 O ATOM 359 CB LEU A 21 -3.993 9.903 -3.079 1.00 0.00 C ATOM 360 CG LEU A 21 -5.503 9.847 -2.836 1.00 0.00 C ATOM 361 CD1 LEU A 21 -5.877 8.581 -2.080 1.00 0.00 C ATOM 362 CD2 LEU A 21 -5.994 11.082 -2.091 1.00 0.00 C ATOM 0 H LEU A 21 -3.570 12.378 -3.522 1.00 0.00 H new ATOM 0 HA LEU A 21 -3.584 10.693 -1.138 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -3.820 10.217 -4.109 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -3.590 8.895 -2.981 1.00 0.00 H new ATOM 0 HG LEU A 21 -5.995 9.829 -3.808 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -6.955 8.560 -1.917 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -5.581 7.709 -2.662 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -5.364 8.567 -1.118 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -7.070 11.009 -1.935 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -5.492 11.149 -1.126 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -5.772 11.973 -2.678 1.00 0.00 H new ATOM 374 N SER A 22 -1.053 11.010 -3.248 1.00 0.00 N ATOM 375 CA SER A 22 0.381 10.789 -3.426 1.00 0.00 C ATOM 376 C SER A 22 1.148 11.186 -2.167 1.00 0.00 C ATOM 377 O SER A 22 2.300 10.800 -1.982 1.00 0.00 O ATOM 378 CB SER A 22 0.901 11.592 -4.620 1.00 0.00 C ATOM 379 OG SER A 22 2.310 11.739 -4.564 1.00 0.00 O ATOM 0 H SER A 22 -1.480 11.593 -3.968 1.00 0.00 H new ATOM 0 HA SER A 22 0.538 9.727 -3.614 1.00 0.00 H new ATOM 0 HB2 SER A 22 0.621 11.092 -5.547 1.00 0.00 H new ATOM 0 HB3 SER A 22 0.430 12.575 -4.633 1.00 0.00 H new ATOM 0 HG SER A 22 2.735 11.019 -5.076 1.00 0.00 H new ATOM 385 N ARG A 23 0.502 11.969 -1.307 1.00 0.00 N ATOM 386 CA ARG A 23 1.122 12.424 -0.070 1.00 0.00 C ATOM 387 C ARG A 23 0.670 11.562 1.105 1.00 0.00 C ATOM 388 O ARG A 23 0.097 10.488 0.913 1.00 0.00 O ATOM 389 CB ARG A 23 0.766 13.889 0.178 1.00 0.00 C ATOM 390 CG ARG A 23 0.777 14.735 -1.085 1.00 0.00 C ATOM 391 CD ARG A 23 2.185 15.182 -1.444 1.00 0.00 C ATOM 392 NE ARG A 23 2.740 16.100 -0.452 1.00 0.00 N ATOM 393 CZ ARG A 23 2.476 17.405 -0.419 1.00 0.00 C ATOM 394 NH1 ARG A 23 1.663 17.948 -1.316 1.00 0.00 N ATOM 395 NH2 ARG A 23 3.027 18.168 0.515 1.00 0.00 N ATOM 0 H ARG A 23 -0.452 12.301 -1.446 1.00 0.00 H new ATOM 0 HA ARG A 23 2.204 12.332 -0.164 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -0.223 13.943 0.634 1.00 0.00 H new ATOM 0 HB3 ARG A 23 1.471 14.310 0.895 1.00 0.00 H new ATOM 0 HG2 ARG A 23 0.354 14.163 -1.911 1.00 0.00 H new ATOM 0 HG3 ARG A 23 0.141 15.609 -0.944 1.00 0.00 H new ATOM 0 HD2 ARG A 23 2.831 14.308 -1.530 1.00 0.00 H new ATOM 0 HD3 ARG A 23 2.173 15.667 -2.420 1.00 0.00 H new ATOM 0 HE ARG A 23 3.367 15.719 0.257 1.00 0.00 H new ATOM 0 HH11 ARG A 23 1.236 17.365 -2.036 1.00 0.00 H new ATOM 0 HH12 ARG A 23 1.465 18.948 -1.285 1.00 0.00 H new ATOM 0 HH21 ARG A 23 3.652 17.755 1.207 1.00 0.00 H new ATOM 0 HH22 ARG A 23 2.826 19.168 0.541 1.00 0.00 H new ATOM 409 N GLU A 24 0.947 12.031 2.316 1.00 0.00 N ATOM 410 CA GLU A 24 0.585 11.294 3.526 1.00 0.00 C ATOM 411 C GLU A 24 -0.571 11.957 4.270 1.00 0.00 C ATOM 412 O GLU A 24 -0.534 13.154 4.557 1.00 0.00 O ATOM 413 CB GLU A 24 1.797 11.182 4.454 1.00 0.00 C ATOM 414 CG GLU A 24 2.357 12.527 4.887 1.00 0.00 C ATOM 415 CD GLU A 24 2.462 12.657 6.395 1.00 0.00 C ATOM 416 OE1 GLU A 24 1.424 12.908 7.043 1.00 0.00 O ATOM 417 OE2 GLU A 24 3.582 12.508 6.927 1.00 0.00 O ATOM 0 H GLU A 24 1.421 12.918 2.489 1.00 0.00 H new ATOM 0 HA GLU A 24 0.261 10.299 3.220 1.00 0.00 H new ATOM 0 HB2 GLU A 24 1.515 10.613 5.340 1.00 0.00 H new ATOM 0 HB3 GLU A 24 2.580 10.617 3.949 1.00 0.00 H new ATOM 0 HG2 GLU A 24 3.344 12.665 4.445 1.00 0.00 H new ATOM 0 HG3 GLU A 24 1.720 13.323 4.501 1.00 0.00 H new ATOM 424 N CYS A 25 -1.593 11.165 4.591 1.00 0.00 N ATOM 425 CA CYS A 25 -2.756 11.669 5.316 1.00 0.00 C ATOM 426 C CYS A 25 -3.394 10.578 6.171 1.00 0.00 C ATOM 427 O CYS A 25 -2.959 9.427 6.160 1.00 0.00 O ATOM 428 CB CYS A 25 -3.789 12.270 4.356 1.00 0.00 C ATOM 429 SG CYS A 25 -3.807 11.530 2.706 1.00 0.00 S ATOM 0 H CYS A 25 -1.638 10.172 4.360 1.00 0.00 H new ATOM 0 HA CYS A 25 -2.407 12.459 5.981 1.00 0.00 H new ATOM 0 HB2 CYS A 25 -4.780 12.164 4.798 1.00 0.00 H new ATOM 0 HB3 CYS A 25 -3.596 13.338 4.258 1.00 0.00 H new ATOM 0 HG CYS A 25 -4.291 10.326 2.776 1.00 0.00 H new ATOM 435 N GLU A 26 -4.414 10.965 6.927 1.00 0.00 N ATOM 436 CA GLU A 26 -5.112 10.046 7.819 1.00 0.00 C ATOM 437 C GLU A 26 -5.721 8.863 7.070 1.00 0.00 C ATOM 438 O GLU A 26 -6.297 9.014 5.992 1.00 0.00 O ATOM 439 CB GLU A 26 -6.208 10.787 8.586 1.00 0.00 C ATOM 440 CG GLU A 26 -5.725 12.062 9.259 1.00 0.00 C ATOM 441 CD GLU A 26 -6.161 12.160 10.708 1.00 0.00 C ATOM 442 OE1 GLU A 26 -6.109 11.131 11.415 1.00 0.00 O ATOM 443 OE2 GLU A 26 -6.556 13.264 11.136 1.00 0.00 O ATOM 0 H GLU A 26 -4.779 11.917 6.940 1.00 0.00 H new ATOM 0 HA GLU A 26 -4.373 9.652 8.516 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -7.018 11.033 7.899 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -6.623 10.122 9.343 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -4.637 12.106 9.207 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -6.105 12.924 8.710 1.00 0.00 H new ATOM 450 N ILE A 27 -5.596 7.685 7.670 1.00 0.00 N ATOM 451 CA ILE A 27 -6.141 6.460 7.096 1.00 0.00 C ATOM 452 C ILE A 27 -6.693 5.544 8.189 1.00 0.00 C ATOM 453 O ILE A 27 -6.434 5.750 9.375 1.00 0.00 O ATOM 454 CB ILE A 27 -5.086 5.690 6.278 1.00 0.00 C ATOM 455 CG1 ILE A 27 -3.967 5.180 7.187 1.00 0.00 C ATOM 456 CG2 ILE A 27 -4.522 6.578 5.179 1.00 0.00 C ATOM 457 CD1 ILE A 27 -3.005 4.243 6.491 1.00 0.00 C ATOM 0 H ILE A 27 -5.118 7.552 8.561 1.00 0.00 H new ATOM 0 HA ILE A 27 -6.948 6.759 6.427 1.00 0.00 H new ATOM 0 HB ILE A 27 -5.566 4.828 5.815 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -3.412 6.032 7.580 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -4.409 4.666 8.041 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -3.778 6.022 4.608 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -5.328 6.892 4.516 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -4.056 7.457 5.625 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -2.238 3.921 7.195 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -3.548 3.373 6.122 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -2.535 4.760 5.654 1.00 0.00 H new ATOM 469 N LYS A 28 -7.452 4.532 7.782 1.00 0.00 N ATOM 470 CA LYS A 28 -8.039 3.584 8.723 1.00 0.00 C ATOM 471 C LYS A 28 -8.360 2.269 8.026 1.00 0.00 C ATOM 472 O LYS A 28 -8.289 2.180 6.800 1.00 0.00 O ATOM 473 CB LYS A 28 -9.308 4.169 9.345 1.00 0.00 C ATOM 474 CG LYS A 28 -10.391 4.491 8.326 1.00 0.00 C ATOM 475 CD LYS A 28 -11.623 3.623 8.526 1.00 0.00 C ATOM 476 CE LYS A 28 -12.714 4.367 9.278 1.00 0.00 C ATOM 477 NZ LYS A 28 -12.418 4.464 10.734 1.00 0.00 N ATOM 0 H LYS A 28 -7.676 4.347 6.804 1.00 0.00 H new ATOM 0 HA LYS A 28 -7.314 3.393 9.514 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -9.705 3.462 10.074 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -9.051 5.078 9.889 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -10.668 5.542 8.409 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -10.000 4.343 7.319 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -12.003 3.301 7.557 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -11.349 2.723 9.077 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -12.823 5.369 8.862 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -13.666 3.857 9.134 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -12.987 5.227 11.154 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -12.652 3.563 11.197 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -11.408 4.670 10.870 1.00 0.00 H new ATOM 491 N TYR A 29 -8.710 1.245 8.800 1.00 0.00 N ATOM 492 CA TYR A 29 -9.031 -0.052 8.216 1.00 0.00 C ATOM 493 C TYR A 29 -10.465 -0.095 7.701 1.00 0.00 C ATOM 494 O TYR A 29 -11.366 0.505 8.288 1.00 0.00 O ATOM 495 CB TYR A 29 -8.803 -1.182 9.212 1.00 0.00 C ATOM 496 CG TYR A 29 -8.626 -2.509 8.521 1.00 0.00 C ATOM 497 CD1 TYR A 29 -9.722 -3.192 8.014 1.00 0.00 C ATOM 498 CD2 TYR A 29 -7.364 -3.063 8.347 1.00 0.00 C ATOM 499 CE1 TYR A 29 -9.564 -4.395 7.353 1.00 0.00 C ATOM 500 CE2 TYR A 29 -7.200 -4.268 7.693 1.00 0.00 C ATOM 501 CZ TYR A 29 -8.303 -4.929 7.197 1.00 0.00 C ATOM 502 OH TYR A 29 -8.143 -6.126 6.538 1.00 0.00 O ATOM 0 H TYR A 29 -8.778 1.287 9.817 1.00 0.00 H new ATOM 0 HA TYR A 29 -8.357 -0.193 7.371 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -7.920 -0.964 9.813 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -9.649 -1.239 9.897 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -10.712 -2.778 8.138 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -6.498 -2.543 8.729 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -10.425 -4.915 6.960 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -6.213 -4.690 7.571 1.00 0.00 H new ATOM 0 HH TYR A 29 -8.960 -6.660 6.627 1.00 0.00 H new ATOM 512 N THR A 30 -10.663 -0.806 6.590 1.00 0.00 N ATOM 513 CA THR A 30 -11.983 -0.927 5.979 1.00 0.00 C ATOM 514 C THR A 30 -11.997 -2.010 4.898 1.00 0.00 C ATOM 515 O THR A 30 -11.967 -1.708 3.705 1.00 0.00 O ATOM 516 CB THR A 30 -12.390 0.413 5.368 1.00 0.00 C ATOM 517 OG1 THR A 30 -12.581 1.390 6.376 1.00 0.00 O ATOM 518 CG2 THR A 30 -13.659 0.350 4.547 1.00 0.00 C ATOM 0 H THR A 30 -9.924 -1.306 6.096 1.00 0.00 H new ATOM 0 HA THR A 30 -12.693 -1.212 6.755 1.00 0.00 H new ATOM 0 HB THR A 30 -11.566 0.680 4.706 1.00 0.00 H new ATOM 0 HG1 THR A 30 -12.537 0.964 7.257 1.00 0.00 H new ATOM 0 HG21 THR A 30 -13.883 1.339 4.147 1.00 0.00 H new ATOM 0 HG22 THR A 30 -13.526 -0.353 3.725 1.00 0.00 H new ATOM 0 HG23 THR A 30 -14.484 0.019 5.177 1.00 0.00 H new ATOM 526 N GLY A 31 -12.060 -3.267 5.322 1.00 0.00 N ATOM 527 CA GLY A 31 -12.093 -4.373 4.378 1.00 0.00 C ATOM 528 C GLY A 31 -13.114 -5.418 4.779 1.00 0.00 C ATOM 529 O GLY A 31 -14.119 -5.617 4.095 1.00 0.00 O ATOM 0 H GLY A 31 -12.089 -3.542 6.304 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -12.329 -3.996 3.383 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -11.106 -4.832 4.319 1.00 0.00 H new ATOM 533 N PHE A 32 -12.862 -6.061 5.909 1.00 0.00 N ATOM 534 CA PHE A 32 -13.762 -7.072 6.450 1.00 0.00 C ATOM 535 C PHE A 32 -14.011 -6.763 7.917 1.00 0.00 C ATOM 536 O PHE A 32 -14.152 -7.659 8.749 1.00 0.00 O ATOM 537 CB PHE A 32 -13.177 -8.483 6.293 1.00 0.00 C ATOM 538 CG PHE A 32 -11.688 -8.515 6.088 1.00 0.00 C ATOM 539 CD1 PHE A 32 -11.152 -8.447 4.812 1.00 0.00 C ATOM 540 CD2 PHE A 32 -10.825 -8.617 7.169 1.00 0.00 C ATOM 541 CE1 PHE A 32 -9.784 -8.480 4.617 1.00 0.00 C ATOM 542 CE2 PHE A 32 -9.455 -8.650 6.979 1.00 0.00 C ATOM 543 CZ PHE A 32 -8.935 -8.582 5.701 1.00 0.00 C ATOM 0 H PHE A 32 -12.030 -5.898 6.477 1.00 0.00 H new ATOM 0 HA PHE A 32 -14.701 -7.047 5.897 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -13.423 -9.066 7.180 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -13.659 -8.972 5.446 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -11.811 -8.367 3.960 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -11.227 -8.671 8.170 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -9.379 -8.426 3.617 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -8.793 -8.729 7.829 1.00 0.00 H new ATOM 0 HZ PHE A 32 -7.866 -8.609 5.550 1.00 0.00 H new ATOM 553 N ARG A 33 -14.029 -5.470 8.218 1.00 0.00 N ATOM 554 CA ARG A 33 -14.226 -4.985 9.571 1.00 0.00 C ATOM 555 C ARG A 33 -15.694 -4.790 9.907 1.00 0.00 C ATOM 556 O ARG A 33 -16.062 -4.718 11.080 1.00 0.00 O ATOM 557 CB ARG A 33 -13.490 -3.665 9.737 1.00 0.00 C ATOM 558 CG ARG A 33 -14.007 -2.561 8.830 1.00 0.00 C ATOM 559 CD ARG A 33 -15.075 -1.726 9.516 1.00 0.00 C ATOM 560 NE ARG A 33 -14.499 -0.624 10.283 1.00 0.00 N ATOM 561 CZ ARG A 33 -15.188 0.446 10.676 1.00 0.00 C ATOM 562 NH1 ARG A 33 -16.475 0.564 10.372 1.00 0.00 N ATOM 563 NH2 ARG A 33 -14.588 1.400 11.374 1.00 0.00 N ATOM 0 H ARG A 33 -13.907 -4.730 7.527 1.00 0.00 H new ATOM 0 HA ARG A 33 -13.832 -5.737 10.255 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -13.573 -3.340 10.774 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -12.430 -3.822 9.536 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -13.179 -1.918 8.530 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -14.416 -2.999 7.920 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -15.760 -1.328 8.768 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -15.662 -2.362 10.179 1.00 0.00 H new ATOM 0 HE ARG A 33 -13.511 -0.677 10.532 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -16.941 -0.167 9.835 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -16.998 1.386 10.676 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -13.599 1.314 11.610 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -15.115 2.220 11.675 1.00 0.00 H new ATOM 577 N ASP A 34 -16.531 -4.689 8.886 1.00 0.00 N ATOM 578 CA ASP A 34 -17.958 -4.484 9.103 1.00 0.00 C ATOM 579 C ASP A 34 -18.511 -5.515 10.087 1.00 0.00 C ATOM 580 O ASP A 34 -19.551 -5.300 10.711 1.00 0.00 O ATOM 581 CB ASP A 34 -18.719 -4.558 7.778 1.00 0.00 C ATOM 582 CG ASP A 34 -20.030 -3.798 7.821 1.00 0.00 C ATOM 583 OD1 ASP A 34 -20.022 -2.625 8.251 1.00 0.00 O ATOM 584 OD2 ASP A 34 -21.064 -4.374 7.423 1.00 0.00 O ATOM 0 H ASP A 34 -16.252 -4.745 7.906 1.00 0.00 H new ATOM 0 HA ASP A 34 -18.096 -3.491 9.530 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -18.095 -4.155 6.981 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -18.915 -5.602 7.533 1.00 0.00 H new ATOM 589 N ARG A 35 -17.793 -6.624 10.238 1.00 0.00 N ATOM 590 CA ARG A 35 -18.183 -7.676 11.160 1.00 0.00 C ATOM 591 C ARG A 35 -17.406 -7.478 12.486 1.00 0.00 C ATOM 592 O ARG A 35 -17.465 -6.375 13.031 1.00 0.00 O ATOM 593 CB ARG A 35 -17.977 -9.039 10.484 1.00 0.00 C ATOM 594 CG ARG A 35 -16.681 -9.147 9.688 1.00 0.00 C ATOM 595 CD ARG A 35 -16.835 -8.587 8.283 1.00 0.00 C ATOM 596 NE ARG A 35 -16.385 -9.531 7.263 1.00 0.00 N ATOM 597 CZ ARG A 35 -17.124 -10.539 6.806 1.00 0.00 C ATOM 598 NH1 ARG A 35 -18.349 -10.740 7.277 1.00 0.00 N ATOM 599 NH2 ARG A 35 -16.639 -11.350 5.876 1.00 0.00 N ATOM 0 H ARG A 35 -16.931 -6.814 9.727 1.00 0.00 H new ATOM 0 HA ARG A 35 -19.241 -7.634 11.417 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -17.988 -9.817 11.247 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -18.818 -9.233 9.818 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -15.888 -8.610 10.209 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -16.375 -10.192 9.632 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -17.881 -8.334 8.106 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -16.265 -7.662 8.197 1.00 0.00 H new ATOM 0 HE ARG A 35 -15.448 -9.410 6.878 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -18.728 -10.120 7.993 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -18.911 -11.514 6.923 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -15.699 -11.202 5.510 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -17.206 -12.122 5.527 1.00 0.00 H new ATOM 613 N PRO A 36 -16.661 -8.465 13.058 1.00 0.00 N ATOM 614 CA PRO A 36 -15.937 -8.217 14.308 1.00 0.00 C ATOM 615 C PRO A 36 -14.634 -7.452 14.075 1.00 0.00 C ATOM 616 O PRO A 36 -13.544 -8.011 14.195 1.00 0.00 O ATOM 617 CB PRO A 36 -15.654 -9.619 14.832 1.00 0.00 C ATOM 618 CG PRO A 36 -15.513 -10.448 13.607 1.00 0.00 C ATOM 619 CD PRO A 36 -16.443 -9.849 12.582 1.00 0.00 C ATOM 0 HA PRO A 36 -16.508 -7.599 15.001 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -14.746 -9.643 15.435 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -16.466 -9.979 15.464 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -14.483 -10.441 13.249 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -15.774 -11.487 13.808 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -16.001 -9.863 11.586 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -17.380 -10.402 12.522 1.00 0.00 H new ATOM 627 N HIS A 37 -14.758 -6.167 13.743 1.00 0.00 N ATOM 628 CA HIS A 37 -13.597 -5.311 13.493 1.00 0.00 C ATOM 629 C HIS A 37 -12.547 -5.485 14.597 1.00 0.00 C ATOM 630 O HIS A 37 -11.342 -5.515 14.329 1.00 0.00 O ATOM 631 CB HIS A 37 -14.052 -3.846 13.385 1.00 0.00 C ATOM 632 CG HIS A 37 -12.946 -2.830 13.444 1.00 0.00 C ATOM 633 ND1 HIS A 37 -12.422 -2.370 14.635 1.00 0.00 N ATOM 634 CD2 HIS A 37 -12.286 -2.157 12.461 1.00 0.00 C ATOM 635 CE1 HIS A 37 -11.497 -1.462 14.386 1.00 0.00 C ATOM 636 NE2 HIS A 37 -11.394 -1.315 13.078 1.00 0.00 N ATOM 0 H HIS A 37 -15.656 -5.693 13.640 1.00 0.00 H new ATOM 0 HA HIS A 37 -13.133 -5.603 12.551 1.00 0.00 H new ATOM 0 HB2 HIS A 37 -14.593 -3.718 12.447 1.00 0.00 H new ATOM 0 HB3 HIS A 37 -14.757 -3.640 14.190 1.00 0.00 H new ATOM 0 HD2 HIS A 37 -12.436 -2.265 11.397 1.00 0.00 H new ATOM 0 HE1 HIS A 37 -10.921 -0.929 15.128 1.00 0.00 H new ATOM 0 HE2 HIS A 37 -10.755 -0.678 12.602 1.00 0.00 H new ATOM 645 N GLU A 38 -13.017 -5.619 15.835 1.00 0.00 N ATOM 646 CA GLU A 38 -12.126 -5.803 16.977 1.00 0.00 C ATOM 647 C GLU A 38 -11.279 -7.059 16.804 1.00 0.00 C ATOM 648 O GLU A 38 -10.131 -7.107 17.245 1.00 0.00 O ATOM 649 CB GLU A 38 -12.929 -5.886 18.275 1.00 0.00 C ATOM 650 CG GLU A 38 -13.184 -4.532 18.918 1.00 0.00 C ATOM 651 CD GLU A 38 -14.640 -4.326 19.290 1.00 0.00 C ATOM 652 OE1 GLU A 38 -15.254 -5.270 19.830 1.00 0.00 O ATOM 653 OE2 GLU A 38 -15.166 -3.221 19.040 1.00 0.00 O ATOM 0 H GLU A 38 -14.009 -5.604 16.072 1.00 0.00 H new ATOM 0 HA GLU A 38 -11.461 -4.941 17.030 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -13.885 -6.368 18.071 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -12.396 -6.521 18.983 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -12.568 -4.437 19.812 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -12.874 -3.744 18.232 1.00 0.00 H new ATOM 660 N GLU A 39 -11.832 -8.056 16.123 1.00 0.00 N ATOM 661 CA GLU A 39 -11.101 -9.286 15.854 1.00 0.00 C ATOM 662 C GLU A 39 -10.276 -9.063 14.612 1.00 0.00 C ATOM 663 O GLU A 39 -9.143 -9.530 14.491 1.00 0.00 O ATOM 664 CB GLU A 39 -12.048 -10.465 15.645 1.00 0.00 C ATOM 665 CG GLU A 39 -11.566 -11.756 16.288 1.00 0.00 C ATOM 666 CD GLU A 39 -12.675 -12.776 16.450 1.00 0.00 C ATOM 667 OE1 GLU A 39 -13.294 -13.146 15.429 1.00 0.00 O ATOM 668 OE2 GLU A 39 -12.924 -13.207 17.595 1.00 0.00 O ATOM 0 H GLU A 39 -12.781 -8.036 15.749 1.00 0.00 H new ATOM 0 HA GLU A 39 -10.468 -9.529 16.708 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -13.027 -10.210 16.051 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -12.180 -10.629 14.575 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -10.769 -12.185 15.680 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -11.137 -11.533 17.265 1.00 0.00 H new ATOM 675 N ARG A 40 -10.867 -8.302 13.700 1.00 0.00 N ATOM 676 CA ARG A 40 -10.223 -7.947 12.461 1.00 0.00 C ATOM 677 C ARG A 40 -8.859 -7.337 12.746 1.00 0.00 C ATOM 678 O ARG A 40 -7.954 -7.395 11.916 1.00 0.00 O ATOM 679 CB ARG A 40 -11.105 -6.974 11.694 1.00 0.00 C ATOM 680 CG ARG A 40 -11.186 -7.280 10.212 1.00 0.00 C ATOM 681 CD ARG A 40 -10.639 -6.140 9.374 1.00 0.00 C ATOM 682 NE ARG A 40 -9.369 -5.622 9.888 1.00 0.00 N ATOM 683 CZ ARG A 40 -9.253 -4.498 10.597 1.00 0.00 C ATOM 684 NH1 ARG A 40 -10.331 -3.837 10.992 1.00 0.00 N ATOM 685 NH2 ARG A 40 -8.057 -4.044 10.935 1.00 0.00 N ATOM 0 H ARG A 40 -11.806 -7.918 13.807 1.00 0.00 H new ATOM 0 HA ARG A 40 -10.077 -8.839 11.851 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -12.109 -6.993 12.117 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -10.721 -5.963 11.829 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -10.627 -8.191 9.997 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -12.223 -7.470 9.936 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -10.499 -6.482 8.349 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -11.371 -5.333 9.344 1.00 0.00 H new ATOM 0 HE ARG A 40 -8.521 -6.154 9.692 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -11.259 -4.187 10.754 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -10.233 -2.978 11.534 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -7.220 -4.554 10.653 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -7.972 -3.184 11.477 1.00 0.00 H new ATOM 699 N GLN A 41 -8.712 -6.774 13.948 1.00 0.00 N ATOM 700 CA GLN A 41 -7.442 -6.185 14.357 1.00 0.00 C ATOM 701 C GLN A 41 -6.340 -7.220 14.193 1.00 0.00 C ATOM 702 O GLN A 41 -5.281 -6.944 13.626 1.00 0.00 O ATOM 703 CB GLN A 41 -7.514 -5.688 15.809 1.00 0.00 C ATOM 704 CG GLN A 41 -7.287 -6.773 16.853 1.00 0.00 C ATOM 705 CD GLN A 41 -7.366 -6.241 18.271 1.00 0.00 C ATOM 706 OE1 GLN A 41 -6.411 -6.348 19.041 1.00 0.00 O ATOM 707 NE2 GLN A 41 -8.510 -5.666 18.626 1.00 0.00 N ATOM 0 H GLN A 41 -9.452 -6.715 14.647 1.00 0.00 H new ATOM 0 HA GLN A 41 -7.223 -5.323 13.726 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -6.771 -4.903 15.950 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -8.491 -5.236 15.978 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -8.030 -7.560 16.722 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -6.309 -7.228 16.693 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -9.276 -5.598 17.956 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -8.622 -5.292 19.568 1.00 0.00 H new ATOM 716 N THR A 42 -6.625 -8.431 14.660 1.00 0.00 N ATOM 717 CA THR A 42 -5.691 -9.533 14.536 1.00 0.00 C ATOM 718 C THR A 42 -5.766 -10.090 13.129 1.00 0.00 C ATOM 719 O THR A 42 -4.764 -10.531 12.571 1.00 0.00 O ATOM 720 CB THR A 42 -6.000 -10.625 15.560 1.00 0.00 C ATOM 721 OG1 THR A 42 -6.263 -10.062 16.832 1.00 0.00 O ATOM 722 CG2 THR A 42 -4.876 -11.625 15.723 1.00 0.00 C ATOM 0 H THR A 42 -7.499 -8.670 15.128 1.00 0.00 H new ATOM 0 HA THR A 42 -4.682 -9.170 14.731 1.00 0.00 H new ATOM 0 HB THR A 42 -6.876 -11.145 15.172 1.00 0.00 H new ATOM 0 HG1 THR A 42 -6.460 -10.778 17.472 1.00 0.00 H new ATOM 0 HG21 THR A 42 -5.159 -12.373 16.464 1.00 0.00 H new ATOM 0 HG22 THR A 42 -4.683 -12.114 14.768 1.00 0.00 H new ATOM 0 HG23 THR A 42 -3.975 -11.109 16.055 1.00 0.00 H new ATOM 730 N ARG A 43 -6.959 -10.043 12.538 1.00 0.00 N ATOM 731 CA ARG A 43 -7.122 -10.525 11.174 1.00 0.00 C ATOM 732 C ARG A 43 -6.263 -9.688 10.229 1.00 0.00 C ATOM 733 O ARG A 43 -5.815 -10.167 9.188 1.00 0.00 O ATOM 734 CB ARG A 43 -8.591 -10.480 10.756 1.00 0.00 C ATOM 735 CG ARG A 43 -9.208 -11.855 10.569 1.00 0.00 C ATOM 736 CD ARG A 43 -10.307 -12.123 11.587 1.00 0.00 C ATOM 737 NE ARG A 43 -11.635 -12.109 10.979 1.00 0.00 N ATOM 738 CZ ARG A 43 -12.725 -12.596 11.569 1.00 0.00 C ATOM 739 NH1 ARG A 43 -12.648 -13.134 12.780 1.00 0.00 N ATOM 740 NH2 ARG A 43 -13.895 -12.543 10.947 1.00 0.00 N ATOM 0 H ARG A 43 -7.808 -9.684 12.974 1.00 0.00 H new ATOM 0 HA ARG A 43 -6.794 -11.563 11.123 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -9.159 -9.935 11.510 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -8.679 -9.921 9.824 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -9.617 -11.936 9.562 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -8.434 -12.617 10.661 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -10.135 -13.090 12.059 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -10.262 -11.371 12.375 1.00 0.00 H new ATOM 0 HE ARG A 43 -11.733 -11.703 10.049 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -11.751 -13.176 13.263 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -13.486 -13.505 13.227 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -13.960 -12.129 10.017 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -14.730 -12.916 11.399 1.00 0.00 H new ATOM 754 N PHE A 44 -6.014 -8.436 10.619 1.00 0.00 N ATOM 755 CA PHE A 44 -5.186 -7.537 9.832 1.00 0.00 C ATOM 756 C PHE A 44 -3.715 -7.883 10.044 1.00 0.00 C ATOM 757 O PHE A 44 -2.996 -8.189 9.093 1.00 0.00 O ATOM 758 CB PHE A 44 -5.465 -6.085 10.223 1.00 0.00 C ATOM 759 CG PHE A 44 -4.242 -5.223 10.231 1.00 0.00 C ATOM 760 CD1 PHE A 44 -3.737 -4.710 9.050 1.00 0.00 C ATOM 761 CD2 PHE A 44 -3.594 -4.945 11.417 1.00 0.00 C ATOM 762 CE1 PHE A 44 -2.603 -3.927 9.052 1.00 0.00 C ATOM 763 CE2 PHE A 44 -2.458 -4.161 11.430 1.00 0.00 C ATOM 764 CZ PHE A 44 -1.961 -3.652 10.245 1.00 0.00 C ATOM 0 H PHE A 44 -6.378 -8.026 11.479 1.00 0.00 H new ATOM 0 HA PHE A 44 -5.425 -7.655 8.775 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -6.192 -5.664 9.529 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -5.920 -6.065 11.213 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -4.236 -4.925 8.117 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -3.979 -5.344 12.344 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -2.217 -3.530 8.125 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -1.959 -3.946 12.363 1.00 0.00 H new ATOM 0 HZ PHE A 44 -1.071 -3.040 10.251 1.00 0.00 H new ATOM 774 N GLN A 45 -3.276 -7.853 11.303 1.00 0.00 N ATOM 775 CA GLN A 45 -1.893 -8.187 11.631 1.00 0.00 C ATOM 776 C GLN A 45 -1.566 -9.582 11.107 1.00 0.00 C ATOM 777 O GLN A 45 -0.434 -9.865 10.713 1.00 0.00 O ATOM 778 CB GLN A 45 -1.659 -8.105 13.146 1.00 0.00 C ATOM 779 CG GLN A 45 -2.139 -9.324 13.918 1.00 0.00 C ATOM 780 CD GLN A 45 -1.028 -10.319 14.189 1.00 0.00 C ATOM 781 OE1 GLN A 45 -0.656 -11.103 13.317 1.00 0.00 O ATOM 782 NE2 GLN A 45 -0.492 -10.291 15.403 1.00 0.00 N ATOM 0 H GLN A 45 -3.854 -7.603 12.105 1.00 0.00 H new ATOM 0 HA GLN A 45 -1.230 -7.465 11.153 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -0.594 -7.968 13.331 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -2.166 -7.221 13.533 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -2.572 -9.002 14.865 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -2.933 -9.816 13.356 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -0.832 -9.624 16.095 1.00 0.00 H new ATOM 0 HE22 GLN A 45 0.260 -10.937 15.644 1.00 0.00 H new ATOM 791 N ASN A 46 -2.585 -10.438 11.077 1.00 0.00 N ATOM 792 CA ASN A 46 -2.437 -11.795 10.568 1.00 0.00 C ATOM 793 C ASN A 46 -2.450 -11.766 9.047 1.00 0.00 C ATOM 794 O ASN A 46 -1.817 -12.589 8.387 1.00 0.00 O ATOM 795 CB ASN A 46 -3.561 -12.694 11.088 1.00 0.00 C ATOM 796 CG ASN A 46 -3.295 -13.196 12.494 1.00 0.00 C ATOM 797 OD1 ASN A 46 -3.574 -12.507 13.475 1.00 0.00 O ATOM 798 ND2 ASN A 46 -2.753 -14.403 12.598 1.00 0.00 N ATOM 0 H ASN A 46 -3.525 -10.212 11.401 1.00 0.00 H new ATOM 0 HA ASN A 46 -1.488 -12.203 10.917 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -4.501 -12.142 11.074 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -3.682 -13.545 10.418 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -2.552 -14.794 13.518 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -2.538 -14.940 11.758 1.00 0.00 H new ATOM 805 N ALA A 47 -3.150 -10.776 8.503 1.00 0.00 N ATOM 806 CA ALA A 47 -3.225 -10.583 7.067 1.00 0.00 C ATOM 807 C ALA A 47 -1.870 -10.117 6.578 1.00 0.00 C ATOM 808 O ALA A 47 -1.449 -10.433 5.466 1.00 0.00 O ATOM 809 CB ALA A 47 -4.308 -9.575 6.714 1.00 0.00 C ATOM 0 H ALA A 47 -3.677 -10.091 9.045 1.00 0.00 H new ATOM 0 HA ALA A 47 -3.488 -11.522 6.580 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -4.346 -9.446 5.632 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -5.272 -9.937 7.071 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -4.083 -8.619 7.186 1.00 0.00 H new ATOM 815 N CYS A 48 -1.163 -9.403 7.457 1.00 0.00 N ATOM 816 CA CYS A 48 0.182 -8.941 7.148 1.00 0.00 C ATOM 817 C CYS A 48 1.056 -10.152 6.866 1.00 0.00 C ATOM 818 O CYS A 48 2.089 -10.051 6.205 1.00 0.00 O ATOM 819 CB CYS A 48 0.755 -8.132 8.314 1.00 0.00 C ATOM 820 SG CYS A 48 -0.196 -6.650 8.723 1.00 0.00 S ATOM 0 H CYS A 48 -1.501 -9.136 8.382 1.00 0.00 H new ATOM 0 HA CYS A 48 0.154 -8.291 6.273 1.00 0.00 H new ATOM 0 HB2 CYS A 48 0.807 -8.772 9.195 1.00 0.00 H new ATOM 0 HB3 CYS A 48 1.777 -7.840 8.072 1.00 0.00 H new ATOM 0 HG CYS A 48 -1.441 -6.972 8.914 1.00 0.00 H new ATOM 826 N ARG A 49 0.609 -11.309 7.359 1.00 0.00 N ATOM 827 CA ARG A 49 1.329 -12.557 7.144 1.00 0.00 C ATOM 828 C ARG A 49 1.200 -12.988 5.684 1.00 0.00 C ATOM 829 O ARG A 49 2.075 -13.663 5.142 1.00 0.00 O ATOM 830 CB ARG A 49 0.798 -13.652 8.083 1.00 0.00 C ATOM 831 CG ARG A 49 -0.233 -14.576 7.448 1.00 0.00 C ATOM 832 CD ARG A 49 -1.108 -15.247 8.496 1.00 0.00 C ATOM 833 NE ARG A 49 -0.758 -16.653 8.679 1.00 0.00 N ATOM 834 CZ ARG A 49 -1.633 -17.607 8.996 1.00 0.00 C ATOM 835 NH1 ARG A 49 -2.915 -17.314 9.176 1.00 0.00 N ATOM 836 NH2 ARG A 49 -1.221 -18.860 9.134 1.00 0.00 N ATOM 0 H ARG A 49 -0.246 -11.403 7.908 1.00 0.00 H new ATOM 0 HA ARG A 49 2.384 -12.400 7.369 1.00 0.00 H new ATOM 0 HB2 ARG A 49 1.638 -14.251 8.435 1.00 0.00 H new ATOM 0 HB3 ARG A 49 0.354 -13.179 8.959 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -0.859 -14.006 6.762 1.00 0.00 H new ATOM 0 HG3 ARG A 49 0.276 -15.337 6.857 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -1.006 -14.721 9.445 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -2.154 -15.169 8.200 1.00 0.00 H new ATOM 0 HE ARG A 49 0.218 -16.922 8.556 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -3.238 -16.352 9.072 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -3.577 -18.051 9.418 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -0.237 -19.091 8.998 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -1.888 -19.592 9.377 1.00 0.00 H new ATOM 850 N ASP A 50 0.098 -12.583 5.053 1.00 0.00 N ATOM 851 CA ASP A 50 -0.156 -12.916 3.656 1.00 0.00 C ATOM 852 C ASP A 50 0.217 -11.752 2.739 1.00 0.00 C ATOM 853 O ASP A 50 0.050 -11.833 1.523 1.00 0.00 O ATOM 854 CB ASP A 50 -1.627 -13.286 3.460 1.00 0.00 C ATOM 855 CG ASP A 50 -1.941 -14.688 3.943 1.00 0.00 C ATOM 856 OD1 ASP A 50 -1.253 -15.165 4.869 1.00 0.00 O ATOM 857 OD2 ASP A 50 -2.876 -15.309 3.396 1.00 0.00 O ATOM 0 H ASP A 50 -0.633 -12.023 5.491 1.00 0.00 H new ATOM 0 HA ASP A 50 0.466 -13.772 3.393 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -2.253 -12.572 3.995 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -1.882 -13.203 2.403 1.00 0.00 H new ATOM 862 N GLY A 51 0.729 -10.674 3.328 1.00 0.00 N ATOM 863 CA GLY A 51 1.127 -9.516 2.549 1.00 0.00 C ATOM 864 C GLY A 51 -0.026 -8.863 1.809 1.00 0.00 C ATOM 865 O GLY A 51 0.159 -8.338 0.714 1.00 0.00 O ATOM 0 H GLY A 51 0.875 -10.583 4.333 1.00 0.00 H new ATOM 0 HA2 GLY A 51 1.586 -8.782 3.211 1.00 0.00 H new ATOM 0 HA3 GLY A 51 1.888 -9.816 1.829 1.00 0.00 H new ATOM 869 N ARG A 52 -1.217 -8.891 2.400 1.00 0.00 N ATOM 870 CA ARG A 52 -2.386 -8.287 1.772 1.00 0.00 C ATOM 871 C ARG A 52 -3.391 -7.774 2.791 1.00 0.00 C ATOM 872 O ARG A 52 -3.819 -8.501 3.687 1.00 0.00 O ATOM 873 CB ARG A 52 -3.061 -9.292 0.850 1.00 0.00 C ATOM 874 CG ARG A 52 -2.418 -9.339 -0.514 1.00 0.00 C ATOM 875 CD ARG A 52 -1.907 -10.731 -0.847 1.00 0.00 C ATOM 876 NE ARG A 52 -2.974 -11.607 -1.326 1.00 0.00 N ATOM 877 CZ ARG A 52 -2.799 -12.892 -1.627 1.00 0.00 C ATOM 878 NH1 ARG A 52 -1.602 -13.453 -1.501 1.00 0.00 N ATOM 879 NH2 ARG A 52 -3.823 -13.618 -2.056 1.00 0.00 N ATOM 0 H ARG A 52 -1.397 -9.322 3.307 1.00 0.00 H new ATOM 0 HA ARG A 52 -2.034 -7.431 1.197 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -3.020 -10.282 1.303 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -4.115 -9.034 0.744 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -3.141 -9.027 -1.268 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -1.591 -8.629 -0.551 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -1.129 -10.659 -1.607 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -1.448 -11.170 0.039 1.00 0.00 H new ATOM 0 HE ARG A 52 -3.907 -11.211 -1.436 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -0.811 -12.899 -1.172 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -1.473 -14.438 -1.733 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -4.744 -13.192 -2.155 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -3.689 -14.603 -2.287 1.00 0.00 H new ATOM 893 N SER A 53 -3.777 -6.515 2.625 1.00 0.00 N ATOM 894 CA SER A 53 -4.755 -5.886 3.508 1.00 0.00 C ATOM 895 C SER A 53 -5.647 -4.911 2.745 1.00 0.00 C ATOM 896 O SER A 53 -5.264 -4.379 1.696 1.00 0.00 O ATOM 897 CB SER A 53 -4.064 -5.160 4.660 1.00 0.00 C ATOM 898 OG SER A 53 -4.939 -5.012 5.765 1.00 0.00 O ATOM 0 H SER A 53 -3.427 -5.907 1.885 1.00 0.00 H new ATOM 0 HA SER A 53 -5.380 -6.681 3.915 1.00 0.00 H new ATOM 0 HB2 SER A 53 -3.178 -5.716 4.965 1.00 0.00 H new ATOM 0 HB3 SER A 53 -3.726 -4.179 4.326 1.00 0.00 H new ATOM 0 HG SER A 53 -5.646 -4.373 5.539 1.00 0.00 H new ATOM 904 N GLU A 54 -6.828 -4.659 3.300 1.00 0.00 N ATOM 905 CA GLU A 54 -7.779 -3.729 2.707 1.00 0.00 C ATOM 906 C GLU A 54 -8.037 -2.578 3.674 1.00 0.00 C ATOM 907 O GLU A 54 -8.797 -2.716 4.634 1.00 0.00 O ATOM 908 CB GLU A 54 -9.087 -4.445 2.371 1.00 0.00 C ATOM 909 CG GLU A 54 -10.127 -3.544 1.728 1.00 0.00 C ATOM 910 CD GLU A 54 -11.106 -4.310 0.859 1.00 0.00 C ATOM 911 OE1 GLU A 54 -10.760 -5.425 0.417 1.00 0.00 O ATOM 912 OE2 GLU A 54 -12.220 -3.795 0.622 1.00 0.00 O ATOM 0 H GLU A 54 -7.150 -5.090 4.166 1.00 0.00 H new ATOM 0 HA GLU A 54 -7.360 -3.332 1.782 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -8.874 -5.276 1.699 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -9.503 -4.871 3.284 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -10.676 -3.015 2.507 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -9.624 -2.789 1.124 1.00 0.00 H new ATOM 919 N ILE A 55 -7.378 -1.451 3.430 1.00 0.00 N ATOM 920 CA ILE A 55 -7.510 -0.279 4.293 1.00 0.00 C ATOM 921 C ILE A 55 -8.157 0.893 3.557 1.00 0.00 C ATOM 922 O ILE A 55 -7.883 1.124 2.379 1.00 0.00 O ATOM 923 CB ILE A 55 -6.131 0.171 4.843 1.00 0.00 C ATOM 924 CG1 ILE A 55 -5.000 -0.278 3.908 1.00 0.00 C ATOM 925 CG2 ILE A 55 -5.906 -0.376 6.248 1.00 0.00 C ATOM 926 CD1 ILE A 55 -3.615 -0.035 4.464 1.00 0.00 C ATOM 0 H ILE A 55 -6.745 -1.322 2.640 1.00 0.00 H new ATOM 0 HA ILE A 55 -8.152 -0.574 5.123 1.00 0.00 H new ATOM 0 HB ILE A 55 -6.126 1.260 4.892 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -5.116 -1.341 3.698 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -5.097 0.247 2.958 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -4.933 -0.048 6.615 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -6.687 -0.006 6.912 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -5.936 -1.465 6.224 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -2.870 -0.378 3.747 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -3.478 1.031 4.648 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -3.497 -0.582 5.399 1.00 0.00 H new ATOM 938 N ALA A 56 -9.009 1.636 4.263 1.00 0.00 N ATOM 939 CA ALA A 56 -9.684 2.791 3.679 1.00 0.00 C ATOM 940 C ALA A 56 -8.855 4.052 3.864 1.00 0.00 C ATOM 941 O ALA A 56 -8.040 4.147 4.782 1.00 0.00 O ATOM 942 CB ALA A 56 -11.061 2.981 4.296 1.00 0.00 C ATOM 0 H ALA A 56 -9.247 1.458 5.239 1.00 0.00 H new ATOM 0 HA ALA A 56 -9.802 2.603 2.612 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -11.545 3.847 3.845 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -11.666 2.093 4.116 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -10.960 3.139 5.370 1.00 0.00 H new ATOM 948 N PHE A 57 -9.061 5.014 2.976 1.00 0.00 N ATOM 949 CA PHE A 57 -8.329 6.270 3.022 1.00 0.00 C ATOM 950 C PHE A 57 -9.222 7.370 3.597 1.00 0.00 C ATOM 951 O PHE A 57 -10.316 7.613 3.091 1.00 0.00 O ATOM 952 CB PHE A 57 -7.877 6.632 1.607 1.00 0.00 C ATOM 953 CG PHE A 57 -6.577 7.377 1.547 1.00 0.00 C ATOM 954 CD1 PHE A 57 -5.412 6.788 2.007 1.00 0.00 C ATOM 955 CD2 PHE A 57 -6.516 8.652 1.014 1.00 0.00 C ATOM 956 CE1 PHE A 57 -4.207 7.456 1.937 1.00 0.00 C ATOM 957 CE2 PHE A 57 -5.314 9.326 0.944 1.00 0.00 C ATOM 958 CZ PHE A 57 -4.157 8.728 1.405 1.00 0.00 C ATOM 0 H PHE A 57 -9.733 4.947 2.211 1.00 0.00 H new ATOM 0 HA PHE A 57 -7.454 6.168 3.664 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -7.785 5.717 1.022 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -8.651 7.236 1.134 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -5.447 5.793 2.426 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -7.417 9.124 0.650 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -3.305 6.984 2.298 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -5.278 10.322 0.528 1.00 0.00 H new ATOM 0 HZ PHE A 57 -3.216 9.255 1.349 1.00 0.00 H new ATOM 968 N VAL A 58 -8.763 8.022 4.664 1.00 0.00 N ATOM 969 CA VAL A 58 -9.547 9.077 5.303 1.00 0.00 C ATOM 970 C VAL A 58 -9.494 10.384 4.515 1.00 0.00 C ATOM 971 O VAL A 58 -10.341 11.259 4.695 1.00 0.00 O ATOM 972 CB VAL A 58 -9.074 9.346 6.746 1.00 0.00 C ATOM 973 CG1 VAL A 58 -10.074 10.228 7.478 1.00 0.00 C ATOM 974 CG2 VAL A 58 -8.857 8.038 7.498 1.00 0.00 C ATOM 0 H VAL A 58 -7.860 7.840 5.101 1.00 0.00 H new ATOM 0 HA VAL A 58 -10.575 8.716 5.324 1.00 0.00 H new ATOM 0 HB VAL A 58 -8.120 9.871 6.701 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -9.725 10.408 8.495 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -10.172 11.179 6.954 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -11.043 9.730 7.510 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -8.524 8.253 8.513 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -9.792 7.479 7.534 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -8.100 7.445 6.985 1.00 0.00 H new ATOM 984 N ALA A 59 -8.497 10.516 3.645 1.00 0.00 N ATOM 985 CA ALA A 59 -8.345 11.724 2.840 1.00 0.00 C ATOM 986 C ALA A 59 -9.614 12.032 2.052 1.00 0.00 C ATOM 987 O ALA A 59 -10.138 13.144 2.111 1.00 0.00 O ATOM 988 CB ALA A 59 -7.161 11.581 1.898 1.00 0.00 C ATOM 0 H ALA A 59 -7.785 9.805 3.480 1.00 0.00 H new ATOM 0 HA ALA A 59 -8.163 12.558 3.518 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -7.058 12.488 1.303 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -6.252 11.422 2.478 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -7.323 10.730 1.237 1.00 0.00 H new ATOM 994 N THR A 60 -10.106 11.042 1.315 1.00 0.00 N ATOM 995 CA THR A 60 -11.314 11.213 0.515 1.00 0.00 C ATOM 996 C THR A 60 -12.264 10.027 0.680 1.00 0.00 C ATOM 997 O THR A 60 -13.182 9.842 -0.119 1.00 0.00 O ATOM 998 CB THR A 60 -10.951 11.390 -0.960 1.00 0.00 C ATOM 999 OG1 THR A 60 -10.258 10.254 -1.446 1.00 0.00 O ATOM 1000 CG2 THR A 60 -10.082 12.603 -1.219 1.00 0.00 C ATOM 0 H THR A 60 -9.688 10.114 1.255 1.00 0.00 H new ATOM 0 HA THR A 60 -11.825 12.108 0.870 1.00 0.00 H new ATOM 0 HB THR A 60 -11.901 11.524 -1.478 1.00 0.00 H new ATOM 0 HG1 THR A 60 -10.036 10.386 -2.391 1.00 0.00 H new ATOM 0 HG21 THR A 60 -9.860 12.671 -2.284 1.00 0.00 H new ATOM 0 HG22 THR A 60 -10.608 13.502 -0.900 1.00 0.00 H new ATOM 0 HG23 THR A 60 -9.151 12.510 -0.660 1.00 0.00 H new ATOM 1008 N GLY A 61 -12.041 9.229 1.720 1.00 0.00 N ATOM 1009 CA GLY A 61 -12.890 8.076 1.965 1.00 0.00 C ATOM 1010 C GLY A 61 -12.832 7.063 0.839 1.00 0.00 C ATOM 1011 O GLY A 61 -13.840 6.441 0.504 1.00 0.00 O ATOM 0 H GLY A 61 -11.289 9.360 2.397 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -12.587 7.597 2.896 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -13.920 8.409 2.098 1.00 0.00 H new ATOM 1015 N THR A 62 -11.650 6.897 0.255 1.00 0.00 N ATOM 1016 CA THR A 62 -11.465 5.951 -0.840 1.00 0.00 C ATOM 1017 C THR A 62 -10.960 4.610 -0.316 1.00 0.00 C ATOM 1018 O THR A 62 -10.095 4.563 0.556 1.00 0.00 O ATOM 1019 CB THR A 62 -10.483 6.516 -1.869 1.00 0.00 C ATOM 1020 OG1 THR A 62 -10.178 5.546 -2.854 1.00 0.00 O ATOM 1021 CG2 THR A 62 -9.174 6.981 -1.263 1.00 0.00 C ATOM 0 H THR A 62 -10.806 7.405 0.521 1.00 0.00 H new ATOM 0 HA THR A 62 -12.430 5.793 -1.321 1.00 0.00 H new ATOM 0 HB THR A 62 -10.988 7.379 -2.303 1.00 0.00 H new ATOM 0 HG1 THR A 62 -9.550 5.926 -3.504 1.00 0.00 H new ATOM 0 HG21 THR A 62 -8.527 7.369 -2.049 1.00 0.00 H new ATOM 0 HG22 THR A 62 -9.370 7.767 -0.533 1.00 0.00 H new ATOM 0 HG23 THR A 62 -8.683 6.142 -0.770 1.00 0.00 H new ATOM 1029 N ASN A 63 -11.499 3.522 -0.856 1.00 0.00 N ATOM 1030 CA ASN A 63 -11.092 2.185 -0.437 1.00 0.00 C ATOM 1031 C ASN A 63 -9.778 1.799 -1.104 1.00 0.00 C ATOM 1032 O ASN A 63 -9.561 2.090 -2.281 1.00 0.00 O ATOM 1033 CB ASN A 63 -12.176 1.164 -0.782 1.00 0.00 C ATOM 1034 CG ASN A 63 -11.971 -0.159 -0.068 1.00 0.00 C ATOM 1035 OD1 ASN A 63 -11.953 -0.217 1.161 1.00 0.00 O ATOM 1036 ND2 ASN A 63 -11.814 -1.229 -0.839 1.00 0.00 N ATOM 0 H ASN A 63 -12.216 3.539 -1.582 1.00 0.00 H new ATOM 0 HA ASN A 63 -10.949 2.191 0.644 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -13.152 1.570 -0.516 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -12.183 0.996 -1.859 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -11.671 -2.146 -0.416 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -11.836 -1.134 -1.854 1.00 0.00 H new ATOM 1043 N LEU A 64 -8.893 1.160 -0.344 1.00 0.00 N ATOM 1044 CA LEU A 64 -7.596 0.761 -0.874 1.00 0.00 C ATOM 1045 C LEU A 64 -7.227 -0.667 -0.486 1.00 0.00 C ATOM 1046 O LEU A 64 -7.174 -1.014 0.693 1.00 0.00 O ATOM 1047 CB LEU A 64 -6.513 1.719 -0.377 1.00 0.00 C ATOM 1048 CG LEU A 64 -6.386 3.020 -1.170 1.00 0.00 C ATOM 1049 CD1 LEU A 64 -5.827 4.128 -0.290 1.00 0.00 C ATOM 1050 CD2 LEU A 64 -5.507 2.812 -2.394 1.00 0.00 C ATOM 0 H LEU A 64 -9.049 0.910 0.632 1.00 0.00 H new ATOM 0 HA LEU A 64 -7.665 0.802 -1.961 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -6.717 1.965 0.665 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -5.554 1.202 -0.400 1.00 0.00 H new ATOM 0 HG LEU A 64 -7.379 3.319 -1.507 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -5.743 5.047 -0.871 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -6.495 4.293 0.556 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -4.842 3.839 0.076 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -5.427 3.748 -2.948 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -4.514 2.491 -2.079 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -5.949 2.049 -3.034 1.00 0.00 H new ATOM 1062 N SER A 65 -6.941 -1.479 -1.498 1.00 0.00 N ATOM 1063 CA SER A 65 -6.534 -2.863 -1.294 1.00 0.00 C ATOM 1064 C SER A 65 -5.126 -3.048 -1.844 1.00 0.00 C ATOM 1065 O SER A 65 -4.922 -3.037 -3.058 1.00 0.00 O ATOM 1066 CB SER A 65 -7.505 -3.818 -1.992 1.00 0.00 C ATOM 1067 OG SER A 65 -8.799 -3.741 -1.418 1.00 0.00 O ATOM 0 H SER A 65 -6.985 -1.198 -2.477 1.00 0.00 H new ATOM 0 HA SER A 65 -6.546 -3.091 -0.228 1.00 0.00 H new ATOM 0 HB2 SER A 65 -7.560 -3.574 -3.053 1.00 0.00 H new ATOM 0 HB3 SER A 65 -7.131 -4.839 -1.918 1.00 0.00 H new ATOM 0 HG SER A 65 -8.957 -4.532 -0.861 1.00 0.00 H new ATOM 1073 N LEU A 66 -4.149 -3.180 -0.954 1.00 0.00 N ATOM 1074 CA LEU A 66 -2.761 -3.321 -1.382 1.00 0.00 C ATOM 1075 C LEU A 66 -2.141 -4.648 -0.960 1.00 0.00 C ATOM 1076 O LEU A 66 -2.500 -5.229 0.064 1.00 0.00 O ATOM 1077 CB LEU A 66 -1.906 -2.161 -0.850 1.00 0.00 C ATOM 1078 CG LEU A 66 -2.403 -1.473 0.431 1.00 0.00 C ATOM 1079 CD1 LEU A 66 -3.631 -0.619 0.154 1.00 0.00 C ATOM 1080 CD2 LEU A 66 -2.683 -2.484 1.534 1.00 0.00 C ATOM 0 H LEU A 66 -4.288 -3.192 0.056 1.00 0.00 H new ATOM 0 HA LEU A 66 -2.776 -3.299 -2.472 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -0.899 -2.536 -0.667 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -1.828 -1.407 -1.634 1.00 0.00 H new ATOM 0 HG LEU A 66 -1.606 -0.816 0.779 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -3.960 -0.145 1.078 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -3.383 0.148 -0.579 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -4.431 -1.248 -0.236 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -3.033 -1.963 2.425 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -3.448 -3.185 1.200 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -1.769 -3.030 1.768 1.00 0.00 H new ATOM 1092 N GLN A 67 -1.179 -5.101 -1.762 1.00 0.00 N ATOM 1093 CA GLN A 67 -0.457 -6.337 -1.495 1.00 0.00 C ATOM 1094 C GLN A 67 1.009 -6.014 -1.228 1.00 0.00 C ATOM 1095 O GLN A 67 1.763 -5.692 -2.147 1.00 0.00 O ATOM 1096 CB GLN A 67 -0.582 -7.299 -2.678 1.00 0.00 C ATOM 1097 CG GLN A 67 -2.012 -7.486 -3.161 1.00 0.00 C ATOM 1098 CD GLN A 67 -2.178 -7.170 -4.635 1.00 0.00 C ATOM 1099 OE1 GLN A 67 -2.147 -8.064 -5.482 1.00 0.00 O ATOM 1100 NE2 GLN A 67 -2.353 -5.892 -4.950 1.00 0.00 N ATOM 0 H GLN A 67 -0.881 -4.621 -2.611 1.00 0.00 H new ATOM 0 HA GLN A 67 -0.888 -6.821 -0.619 1.00 0.00 H new ATOM 0 HB2 GLN A 67 0.026 -6.928 -3.503 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -0.174 -8.268 -2.392 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -2.322 -8.515 -2.977 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -2.674 -6.845 -2.579 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -2.372 -5.184 -4.216 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -2.468 -5.618 -5.926 1.00 0.00 H new ATOM 1109 N PHE A 68 1.398 -6.076 0.037 1.00 0.00 N ATOM 1110 CA PHE A 68 2.768 -5.763 0.438 1.00 0.00 C ATOM 1111 C PHE A 68 3.627 -6.993 0.695 1.00 0.00 C ATOM 1112 O PHE A 68 3.337 -7.822 1.557 1.00 0.00 O ATOM 1113 CB PHE A 68 2.789 -4.824 1.648 1.00 0.00 C ATOM 1114 CG PHE A 68 1.500 -4.757 2.411 1.00 0.00 C ATOM 1115 CD1 PHE A 68 0.880 -5.900 2.897 1.00 0.00 C ATOM 1116 CD2 PHE A 68 0.901 -3.530 2.624 1.00 0.00 C ATOM 1117 CE1 PHE A 68 -0.314 -5.810 3.583 1.00 0.00 C ATOM 1118 CE2 PHE A 68 -0.288 -3.435 3.306 1.00 0.00 C ATOM 1119 CZ PHE A 68 -0.899 -4.574 3.785 1.00 0.00 C ATOM 0 H PHE A 68 0.785 -6.341 0.808 1.00 0.00 H new ATOM 0 HA PHE A 68 3.216 -5.253 -0.415 1.00 0.00 H new ATOM 0 HB2 PHE A 68 3.580 -5.144 2.326 1.00 0.00 H new ATOM 0 HB3 PHE A 68 3.047 -3.821 1.308 1.00 0.00 H new ATOM 0 HD1 PHE A 68 1.335 -6.866 2.737 1.00 0.00 H new ATOM 0 HD2 PHE A 68 1.374 -2.634 2.249 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -0.790 -6.703 3.961 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -0.743 -2.469 3.467 1.00 0.00 H new ATOM 0 HZ PHE A 68 -1.835 -4.501 4.318 1.00 0.00 H new ATOM 1129 N PHE A 69 4.706 -7.062 -0.073 1.00 0.00 N ATOM 1130 CA PHE A 69 5.689 -8.135 0.011 1.00 0.00 C ATOM 1131 C PHE A 69 7.009 -7.675 -0.602 1.00 0.00 C ATOM 1132 O PHE A 69 7.022 -6.787 -1.455 1.00 0.00 O ATOM 1133 CB PHE A 69 5.199 -9.392 -0.708 1.00 0.00 C ATOM 1134 CG PHE A 69 4.438 -10.340 0.172 1.00 0.00 C ATOM 1135 CD1 PHE A 69 4.883 -10.635 1.454 1.00 0.00 C ATOM 1136 CD2 PHE A 69 3.282 -10.948 -0.289 1.00 0.00 C ATOM 1137 CE1 PHE A 69 4.182 -11.516 2.256 1.00 0.00 C ATOM 1138 CE2 PHE A 69 2.581 -11.828 0.508 1.00 0.00 C ATOM 1139 CZ PHE A 69 3.030 -12.113 1.782 1.00 0.00 C ATOM 0 H PHE A 69 4.927 -6.364 -0.783 1.00 0.00 H new ATOM 0 HA PHE A 69 5.836 -8.379 1.063 1.00 0.00 H new ATOM 0 HB2 PHE A 69 4.563 -9.096 -1.542 1.00 0.00 H new ATOM 0 HB3 PHE A 69 6.057 -9.914 -1.131 1.00 0.00 H new ATOM 0 HD1 PHE A 69 5.784 -10.172 1.828 1.00 0.00 H new ATOM 0 HD2 PHE A 69 2.925 -10.730 -1.285 1.00 0.00 H new ATOM 0 HE1 PHE A 69 4.535 -11.737 3.252 1.00 0.00 H new ATOM 0 HE2 PHE A 69 1.681 -12.294 0.136 1.00 0.00 H new ATOM 0 HZ PHE A 69 2.481 -12.802 2.407 1.00 0.00 H new ATOM 1149 N PRO A 70 8.137 -8.271 -0.192 1.00 0.00 N ATOM 1150 CA PRO A 70 9.451 -7.904 -0.728 1.00 0.00 C ATOM 1151 C PRO A 70 9.517 -8.067 -2.244 1.00 0.00 C ATOM 1152 O PRO A 70 9.359 -9.169 -2.769 1.00 0.00 O ATOM 1153 CB PRO A 70 10.412 -8.880 -0.040 1.00 0.00 C ATOM 1154 CG PRO A 70 9.685 -9.344 1.176 1.00 0.00 C ATOM 1155 CD PRO A 70 8.227 -9.343 0.812 1.00 0.00 C ATOM 0 HA PRO A 70 9.689 -6.857 -0.540 1.00 0.00 H new ATOM 0 HB2 PRO A 70 10.661 -9.716 -0.694 1.00 0.00 H new ATOM 0 HB3 PRO A 70 11.350 -8.391 0.223 1.00 0.00 H new ATOM 0 HG2 PRO A 70 10.013 -10.341 1.470 1.00 0.00 H new ATOM 0 HG3 PRO A 70 9.877 -8.683 2.021 1.00 0.00 H new ATOM 0 HD2 PRO A 70 7.912 -10.304 0.406 1.00 0.00 H new ATOM 0 HD3 PRO A 70 7.595 -9.140 1.677 1.00 0.00 H new ATOM 1163 N ALA A 71 9.747 -6.959 -2.941 1.00 0.00 N ATOM 1164 CA ALA A 71 9.828 -6.971 -4.399 1.00 0.00 C ATOM 1165 C ALA A 71 10.936 -7.897 -4.892 1.00 0.00 C ATOM 1166 O ALA A 71 10.933 -8.318 -6.050 1.00 0.00 O ATOM 1167 CB ALA A 71 10.046 -5.560 -4.924 1.00 0.00 C ATOM 0 H ALA A 71 9.881 -6.040 -2.520 1.00 0.00 H new ATOM 0 HA ALA A 71 8.882 -7.353 -4.783 1.00 0.00 H new ATOM 0 HB1 ALA A 71 10.105 -5.582 -6.012 1.00 0.00 H new ATOM 0 HB2 ALA A 71 9.214 -4.925 -4.618 1.00 0.00 H new ATOM 0 HB3 ALA A 71 10.975 -5.160 -4.518 1.00 0.00 H new ATOM 1173 N SER A 72 11.884 -8.213 -4.014 1.00 0.00 N ATOM 1174 CA SER A 72 12.994 -9.088 -4.375 1.00 0.00 C ATOM 1175 C SER A 72 12.698 -10.540 -4.002 1.00 0.00 C ATOM 1176 O SER A 72 13.616 -11.334 -3.794 1.00 0.00 O ATOM 1177 CB SER A 72 14.279 -8.624 -3.687 1.00 0.00 C ATOM 1178 OG SER A 72 15.386 -8.697 -4.570 1.00 0.00 O ATOM 0 H SER A 72 11.906 -7.877 -3.051 1.00 0.00 H new ATOM 0 HA SER A 72 13.126 -9.034 -5.456 1.00 0.00 H new ATOM 0 HB2 SER A 72 14.157 -7.599 -3.335 1.00 0.00 H new ATOM 0 HB3 SER A 72 14.469 -9.242 -2.809 1.00 0.00 H new ATOM 0 HG SER A 72 16.195 -8.394 -4.107 1.00 0.00 H new ATOM 1319 N PRO A 81 6.500 -12.975 6.022 1.00 0.00 N ATOM 1320 CA PRO A 81 6.796 -11.669 5.430 1.00 0.00 C ATOM 1321 C PRO A 81 7.958 -10.969 6.121 1.00 0.00 C ATOM 1322 O PRO A 81 8.273 -11.256 7.276 1.00 0.00 O ATOM 1323 CB PRO A 81 5.496 -10.872 5.628 1.00 0.00 C ATOM 1324 CG PRO A 81 4.557 -11.779 6.362 1.00 0.00 C ATOM 1325 CD PRO A 81 5.057 -13.179 6.139 1.00 0.00 C ATOM 0 HA PRO A 81 7.097 -11.760 4.386 1.00 0.00 H new ATOM 0 HB2 PRO A 81 5.681 -9.961 6.197 1.00 0.00 H new ATOM 0 HB3 PRO A 81 5.075 -10.569 4.669 1.00 0.00 H new ATOM 0 HG2 PRO A 81 4.537 -11.539 7.425 1.00 0.00 H new ATOM 0 HG3 PRO A 81 3.539 -11.667 5.990 1.00 0.00 H new ATOM 0 HD2 PRO A 81 4.805 -13.839 6.969 1.00 0.00 H new ATOM 0 HD3 PRO A 81 4.634 -13.624 5.238 1.00 0.00 H new ATOM 1333 N SER A 82 8.592 -10.049 5.406 1.00 0.00 N ATOM 1334 CA SER A 82 9.720 -9.308 5.954 1.00 0.00 C ATOM 1335 C SER A 82 9.280 -7.932 6.439 1.00 0.00 C ATOM 1336 O SER A 82 8.250 -7.414 6.007 1.00 0.00 O ATOM 1337 CB SER A 82 10.822 -9.168 4.903 1.00 0.00 C ATOM 1338 OG SER A 82 11.367 -10.431 4.563 1.00 0.00 O ATOM 0 H SER A 82 8.345 -9.799 4.448 1.00 0.00 H new ATOM 0 HA SER A 82 10.112 -9.864 6.806 1.00 0.00 H new ATOM 0 HB2 SER A 82 10.419 -8.690 4.010 1.00 0.00 H new ATOM 0 HB3 SER A 82 11.611 -8.519 5.283 1.00 0.00 H new ATOM 0 HG SER A 82 12.068 -10.314 3.888 1.00 0.00 H new ATOM 1344 N ARG A 83 10.065 -7.340 7.334 1.00 0.00 N ATOM 1345 CA ARG A 83 9.746 -6.017 7.866 1.00 0.00 C ATOM 1346 C ARG A 83 10.252 -4.918 6.932 1.00 0.00 C ATOM 1347 O ARG A 83 10.114 -3.731 7.226 1.00 0.00 O ATOM 1348 CB ARG A 83 10.316 -5.818 9.276 1.00 0.00 C ATOM 1349 CG ARG A 83 10.835 -7.087 9.938 1.00 0.00 C ATOM 1350 CD ARG A 83 10.530 -7.088 11.424 1.00 0.00 C ATOM 1351 NE ARG A 83 11.706 -6.758 12.227 1.00 0.00 N ATOM 1352 CZ ARG A 83 12.679 -7.621 12.506 1.00 0.00 C ATOM 1353 NH1 ARG A 83 12.620 -8.868 12.054 1.00 0.00 N ATOM 1354 NH2 ARG A 83 13.714 -7.237 13.242 1.00 0.00 N ATOM 0 H ARG A 83 10.922 -7.751 7.705 1.00 0.00 H new ATOM 0 HA ARG A 83 8.660 -5.950 7.932 1.00 0.00 H new ATOM 0 HB2 ARG A 83 11.128 -5.093 9.226 1.00 0.00 H new ATOM 0 HB3 ARG A 83 9.541 -5.385 9.909 1.00 0.00 H new ATOM 0 HG2 ARG A 83 10.379 -7.959 9.469 1.00 0.00 H new ATOM 0 HG3 ARG A 83 11.911 -7.168 9.784 1.00 0.00 H new ATOM 0 HD2 ARG A 83 9.737 -6.370 11.631 1.00 0.00 H new ATOM 0 HD3 ARG A 83 10.156 -8.069 11.716 1.00 0.00 H new ATOM 0 HE ARG A 83 11.785 -5.810 12.595 1.00 0.00 H new ATOM 0 HH11 ARG A 83 11.825 -9.169 11.489 1.00 0.00 H new ATOM 0 HH12 ARG A 83 13.369 -9.525 12.271 1.00 0.00 H new ATOM 0 HH21 ARG A 83 13.763 -6.281 13.593 1.00 0.00 H new ATOM 0 HH22 ARG A 83 14.461 -7.898 13.456 1.00 0.00 H new ATOM 1368 N GLU A 84 10.817 -5.318 5.791 1.00 0.00 N ATOM 1369 CA GLU A 84 11.310 -4.363 4.809 1.00 0.00 C ATOM 1370 C GLU A 84 10.136 -3.690 4.134 1.00 0.00 C ATOM 1371 O GLU A 84 10.170 -2.499 3.825 1.00 0.00 O ATOM 1372 CB GLU A 84 12.190 -5.060 3.767 1.00 0.00 C ATOM 1373 CG GLU A 84 11.563 -6.308 3.174 1.00 0.00 C ATOM 1374 CD GLU A 84 12.246 -6.752 1.894 1.00 0.00 C ATOM 1375 OE1 GLU A 84 12.252 -5.968 0.922 1.00 0.00 O ATOM 1376 OE2 GLU A 84 12.774 -7.883 1.866 1.00 0.00 O ATOM 0 H GLU A 84 10.942 -6.296 5.529 1.00 0.00 H new ATOM 0 HA GLU A 84 11.918 -3.614 5.317 1.00 0.00 H new ATOM 0 HB2 GLU A 84 12.411 -4.358 2.963 1.00 0.00 H new ATOM 0 HB3 GLU A 84 13.141 -5.326 4.228 1.00 0.00 H new ATOM 0 HG2 GLU A 84 11.609 -7.115 3.905 1.00 0.00 H new ATOM 0 HG3 GLU A 84 10.508 -6.120 2.972 1.00 0.00 H new ATOM 1383 N TYR A 85 9.090 -4.471 3.921 1.00 0.00 N ATOM 1384 CA TYR A 85 7.884 -3.977 3.296 1.00 0.00 C ATOM 1385 C TYR A 85 6.746 -3.981 4.302 1.00 0.00 C ATOM 1386 O TYR A 85 5.980 -3.026 4.385 1.00 0.00 O ATOM 1387 CB TYR A 85 7.546 -4.820 2.070 1.00 0.00 C ATOM 1388 CG TYR A 85 8.428 -4.509 0.881 1.00 0.00 C ATOM 1389 CD1 TYR A 85 9.799 -4.300 1.033 1.00 0.00 C ATOM 1390 CD2 TYR A 85 7.890 -4.420 -0.397 1.00 0.00 C ATOM 1391 CE1 TYR A 85 10.600 -4.013 -0.056 1.00 0.00 C ATOM 1392 CE2 TYR A 85 8.687 -4.134 -1.489 1.00 0.00 C ATOM 1393 CZ TYR A 85 10.039 -3.932 -1.314 1.00 0.00 C ATOM 1394 OH TYR A 85 10.834 -3.647 -2.399 1.00 0.00 O ATOM 0 H TYR A 85 9.057 -5.458 4.176 1.00 0.00 H new ATOM 0 HA TYR A 85 8.040 -2.951 2.963 1.00 0.00 H new ATOM 0 HB2 TYR A 85 7.644 -5.876 2.323 1.00 0.00 H new ATOM 0 HB3 TYR A 85 6.504 -4.653 1.797 1.00 0.00 H new ATOM 0 HD1 TYR A 85 10.241 -4.363 2.016 1.00 0.00 H new ATOM 0 HD2 TYR A 85 6.831 -4.577 -0.539 1.00 0.00 H new ATOM 0 HE1 TYR A 85 11.660 -3.853 0.077 1.00 0.00 H new ATOM 0 HE2 TYR A 85 8.252 -4.069 -2.475 1.00 0.00 H new ATOM 0 HH TYR A 85 11.739 -3.989 -2.240 1.00 0.00 H new ATOM 1404 N VAL A 86 6.660 -5.043 5.101 1.00 0.00 N ATOM 1405 CA VAL A 86 5.636 -5.129 6.128 1.00 0.00 C ATOM 1406 C VAL A 86 6.253 -5.458 7.478 1.00 0.00 C ATOM 1407 O VAL A 86 6.687 -6.583 7.722 1.00 0.00 O ATOM 1408 CB VAL A 86 4.552 -6.174 5.814 1.00 0.00 C ATOM 1409 CG1 VAL A 86 3.403 -5.539 5.053 1.00 0.00 C ATOM 1410 CG2 VAL A 86 5.111 -7.360 5.045 1.00 0.00 C ATOM 0 H VAL A 86 7.284 -5.848 5.054 1.00 0.00 H new ATOM 0 HA VAL A 86 5.160 -4.149 6.155 1.00 0.00 H new ATOM 0 HB VAL A 86 4.178 -6.551 6.766 1.00 0.00 H new ATOM 0 HG11 VAL A 86 2.646 -6.294 4.840 1.00 0.00 H new ATOM 0 HG12 VAL A 86 2.963 -4.744 5.655 1.00 0.00 H new ATOM 0 HG13 VAL A 86 3.773 -5.122 4.116 1.00 0.00 H new ATOM 0 HG21 VAL A 86 4.311 -8.073 4.845 1.00 0.00 H new ATOM 0 HG22 VAL A 86 5.535 -7.015 4.102 1.00 0.00 H new ATOM 0 HG23 VAL A 86 5.888 -7.843 5.637 1.00 0.00 H new ATOM 1420 N ASP A 87 6.271 -4.464 8.351 1.00 0.00 N ATOM 1421 CA ASP A 87 6.818 -4.618 9.691 1.00 0.00 C ATOM 1422 C ASP A 87 5.714 -4.451 10.722 1.00 0.00 C ATOM 1423 O ASP A 87 5.057 -3.412 10.774 1.00 0.00 O ATOM 1424 CB ASP A 87 7.923 -3.584 9.933 1.00 0.00 C ATOM 1425 CG ASP A 87 8.495 -3.654 11.337 1.00 0.00 C ATOM 1426 OD1 ASP A 87 7.717 -3.508 12.303 1.00 0.00 O ATOM 1427 OD2 ASP A 87 9.721 -3.854 11.470 1.00 0.00 O ATOM 0 H ASP A 87 5.909 -3.531 8.153 1.00 0.00 H new ATOM 0 HA ASP A 87 7.245 -5.616 9.786 1.00 0.00 H new ATOM 0 HB2 ASP A 87 8.724 -3.739 9.211 1.00 0.00 H new ATOM 0 HB3 ASP A 87 7.525 -2.585 9.757 1.00 0.00 H new ATOM 1515 N GLY A 93 4.724 1.576 17.747 1.00 0.00 N ATOM 1516 CA GLY A 93 3.512 1.080 18.376 1.00 0.00 C ATOM 1517 C GLY A 93 2.482 0.605 17.365 1.00 0.00 C ATOM 1518 O GLY A 93 1.504 -0.048 17.728 1.00 0.00 O ATOM 0 HA2 GLY A 93 3.765 0.258 19.045 1.00 0.00 H new ATOM 0 HA3 GLY A 93 3.077 1.869 18.990 1.00 0.00 H new ATOM 1522 N LYS A 94 2.705 0.933 16.096 1.00 0.00 N ATOM 1523 CA LYS A 94 1.798 0.535 15.026 1.00 0.00 C ATOM 1524 C LYS A 94 2.560 -0.270 13.982 1.00 0.00 C ATOM 1525 O LYS A 94 3.770 -0.462 14.100 1.00 0.00 O ATOM 1526 CB LYS A 94 1.147 1.759 14.365 1.00 0.00 C ATOM 1527 CG LYS A 94 1.203 3.022 15.213 1.00 0.00 C ATOM 1528 CD LYS A 94 2.421 3.869 14.876 1.00 0.00 C ATOM 1529 CE LYS A 94 3.166 4.298 16.130 1.00 0.00 C ATOM 1530 NZ LYS A 94 2.652 5.588 16.669 1.00 0.00 N ATOM 0 H LYS A 94 3.510 1.476 15.783 1.00 0.00 H new ATOM 0 HA LYS A 94 1.007 -0.078 15.459 1.00 0.00 H new ATOM 0 HB2 LYS A 94 1.641 1.951 13.412 1.00 0.00 H new ATOM 0 HB3 LYS A 94 0.105 1.528 14.143 1.00 0.00 H new ATOM 0 HG2 LYS A 94 0.297 3.607 15.055 1.00 0.00 H new ATOM 0 HG3 LYS A 94 1.228 2.751 16.269 1.00 0.00 H new ATOM 0 HD2 LYS A 94 3.091 3.303 14.229 1.00 0.00 H new ATOM 0 HD3 LYS A 94 2.109 4.751 14.317 1.00 0.00 H new ATOM 0 HE2 LYS A 94 3.071 3.523 16.891 1.00 0.00 H new ATOM 0 HE3 LYS A 94 4.228 4.396 15.905 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 3.186 5.845 17.523 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 2.765 6.333 15.953 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 1.645 5.488 16.908 1.00 0.00 H new ATOM 1544 N VAL A 95 1.855 -0.747 12.965 1.00 0.00 N ATOM 1545 CA VAL A 95 2.487 -1.535 11.915 1.00 0.00 C ATOM 1546 C VAL A 95 2.350 -0.861 10.550 1.00 0.00 C ATOM 1547 O VAL A 95 1.245 -0.693 10.038 1.00 0.00 O ATOM 1548 CB VAL A 95 1.893 -2.965 11.850 1.00 0.00 C ATOM 1549 CG1 VAL A 95 0.409 -2.949 12.183 1.00 0.00 C ATOM 1550 CG2 VAL A 95 2.129 -3.602 10.483 1.00 0.00 C ATOM 0 H VAL A 95 0.852 -0.604 12.845 1.00 0.00 H new ATOM 0 HA VAL A 95 3.546 -1.604 12.165 1.00 0.00 H new ATOM 0 HB VAL A 95 2.407 -3.571 12.596 1.00 0.00 H new ATOM 0 HG11 VAL A 95 0.014 -3.963 12.131 1.00 0.00 H new ATOM 0 HG12 VAL A 95 0.266 -2.555 13.189 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -0.118 -2.317 11.468 1.00 0.00 H new ATOM 0 HG21 VAL A 95 1.701 -4.604 10.470 1.00 0.00 H new ATOM 0 HG22 VAL A 95 1.655 -2.995 9.712 1.00 0.00 H new ATOM 0 HG23 VAL A 95 3.200 -3.663 10.290 1.00 0.00 H new ATOM 1560 N TYR A 96 3.491 -0.512 9.954 1.00 0.00 N ATOM 1561 CA TYR A 96 3.510 0.107 8.631 1.00 0.00 C ATOM 1562 C TYR A 96 3.824 -0.909 7.550 1.00 0.00 C ATOM 1563 O TYR A 96 4.478 -1.923 7.798 1.00 0.00 O ATOM 1564 CB TYR A 96 4.471 1.300 8.547 1.00 0.00 C ATOM 1565 CG TYR A 96 5.498 1.388 9.652 1.00 0.00 C ATOM 1566 CD1 TYR A 96 6.411 0.371 9.903 1.00 0.00 C ATOM 1567 CD2 TYR A 96 5.547 2.523 10.444 1.00 0.00 C ATOM 1568 CE1 TYR A 96 7.343 0.491 10.919 1.00 0.00 C ATOM 1569 CE2 TYR A 96 6.467 2.652 11.455 1.00 0.00 C ATOM 1570 CZ TYR A 96 7.366 1.636 11.692 1.00 0.00 C ATOM 1571 OH TYR A 96 8.291 1.762 12.702 1.00 0.00 O ATOM 0 H TYR A 96 4.413 -0.648 10.368 1.00 0.00 H new ATOM 0 HA TYR A 96 2.505 0.494 8.462 1.00 0.00 H new ATOM 0 HB2 TYR A 96 4.994 1.256 7.592 1.00 0.00 H new ATOM 0 HB3 TYR A 96 3.883 2.218 8.547 1.00 0.00 H new ATOM 0 HD1 TYR A 96 6.393 -0.524 9.298 1.00 0.00 H new ATOM 0 HD2 TYR A 96 4.846 3.324 10.262 1.00 0.00 H new ATOM 0 HE1 TYR A 96 8.048 -0.305 11.106 1.00 0.00 H new ATOM 0 HE2 TYR A 96 6.486 3.546 12.061 1.00 0.00 H new ATOM 0 HH TYR A 96 8.173 2.627 13.148 1.00 0.00 H new ATOM 1581 N LEU A 97 3.325 -0.638 6.352 1.00 0.00 N ATOM 1582 CA LEU A 97 3.517 -1.535 5.226 1.00 0.00 C ATOM 1583 C LEU A 97 3.843 -0.775 3.951 1.00 0.00 C ATOM 1584 O LEU A 97 3.668 0.443 3.873 1.00 0.00 O ATOM 1585 CB LEU A 97 2.270 -2.387 5.020 1.00 0.00 C ATOM 1586 CG LEU A 97 1.504 -2.708 6.305 1.00 0.00 C ATOM 1587 CD1 LEU A 97 0.661 -1.520 6.741 1.00 0.00 C ATOM 1588 CD2 LEU A 97 0.636 -3.931 6.109 1.00 0.00 C ATOM 0 H LEU A 97 2.783 0.199 6.137 1.00 0.00 H new ATOM 0 HA LEU A 97 4.366 -2.179 5.455 1.00 0.00 H new ATOM 0 HB2 LEU A 97 1.601 -1.870 4.332 1.00 0.00 H new ATOM 0 HB3 LEU A 97 2.559 -3.322 4.541 1.00 0.00 H new ATOM 0 HG LEU A 97 2.228 -2.918 7.092 1.00 0.00 H new ATOM 0 HD11 LEU A 97 0.125 -1.771 7.656 1.00 0.00 H new ATOM 0 HD12 LEU A 97 1.308 -0.662 6.923 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -0.055 -1.275 5.957 1.00 0.00 H new ATOM 0 HD21 LEU A 97 0.097 -4.147 7.032 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -0.078 -3.745 5.307 1.00 0.00 H new ATOM 0 HD23 LEU A 97 1.262 -4.784 5.847 1.00 0.00 H new ATOM 1600 N LYS A 98 4.315 -1.518 2.959 1.00 0.00 N ATOM 1601 CA LYS A 98 4.678 -0.951 1.664 1.00 0.00 C ATOM 1602 C LYS A 98 4.361 -1.944 0.552 1.00 0.00 C ATOM 1603 O LYS A 98 4.826 -3.083 0.579 1.00 0.00 O ATOM 1604 CB LYS A 98 6.169 -0.602 1.641 1.00 0.00 C ATOM 1605 CG LYS A 98 6.663 -0.102 0.293 1.00 0.00 C ATOM 1606 CD LYS A 98 7.538 -1.135 -0.402 1.00 0.00 C ATOM 1607 CE LYS A 98 8.984 -0.670 -0.507 1.00 0.00 C ATOM 1608 NZ LYS A 98 9.431 -0.562 -1.924 1.00 0.00 N ATOM 0 H LYS A 98 4.457 -2.526 3.027 1.00 0.00 H new ATOM 0 HA LYS A 98 4.099 -0.041 1.504 1.00 0.00 H new ATOM 0 HB2 LYS A 98 6.365 0.160 2.395 1.00 0.00 H new ATOM 0 HB3 LYS A 98 6.743 -1.484 1.923 1.00 0.00 H new ATOM 0 HG2 LYS A 98 5.810 0.139 -0.341 1.00 0.00 H new ATOM 0 HG3 LYS A 98 7.228 0.820 0.431 1.00 0.00 H new ATOM 0 HD2 LYS A 98 7.497 -2.075 0.148 1.00 0.00 H new ATOM 0 HD3 LYS A 98 7.146 -1.332 -1.400 1.00 0.00 H new ATOM 0 HE2 LYS A 98 9.090 0.298 -0.018 1.00 0.00 H new ATOM 0 HE3 LYS A 98 9.630 -1.369 0.025 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 10.210 0.124 -1.991 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 9.758 -1.491 -2.257 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 8.637 -0.243 -2.515 1.00 0.00 H new ATOM 1622 N ALA A 99 3.566 -1.515 -0.421 1.00 0.00 N ATOM 1623 CA ALA A 99 3.188 -2.389 -1.523 1.00 0.00 C ATOM 1624 C ALA A 99 3.200 -1.659 -2.864 1.00 0.00 C ATOM 1625 O ALA A 99 2.709 -0.535 -2.972 1.00 0.00 O ATOM 1626 CB ALA A 99 1.810 -2.978 -1.268 1.00 0.00 C ATOM 0 H ALA A 99 3.174 -0.575 -0.469 1.00 0.00 H new ATOM 0 HA ALA A 99 3.927 -3.188 -1.576 1.00 0.00 H new ATOM 0 HB1 ALA A 99 1.534 -3.630 -2.096 1.00 0.00 H new ATOM 0 HB2 ALA A 99 1.826 -3.554 -0.343 1.00 0.00 H new ATOM 0 HB3 ALA A 99 1.080 -2.173 -1.182 1.00 0.00 H new ATOM 1632 N PRO A 100 3.746 -2.301 -3.913 1.00 0.00 N ATOM 1633 CA PRO A 100 3.805 -1.730 -5.249 1.00 0.00 C ATOM 1634 C PRO A 100 2.584 -2.127 -6.076 1.00 0.00 C ATOM 1635 O PRO A 100 2.350 -3.311 -6.317 1.00 0.00 O ATOM 1636 CB PRO A 100 5.076 -2.358 -5.818 1.00 0.00 C ATOM 1637 CG PRO A 100 5.218 -3.681 -5.122 1.00 0.00 C ATOM 1638 CD PRO A 100 4.341 -3.646 -3.889 1.00 0.00 C ATOM 0 HA PRO A 100 3.813 -0.640 -5.254 1.00 0.00 H new ATOM 0 HB2 PRO A 100 4.999 -2.489 -6.897 1.00 0.00 H new ATOM 0 HB3 PRO A 100 5.943 -1.723 -5.635 1.00 0.00 H new ATOM 0 HG2 PRO A 100 4.918 -4.495 -5.782 1.00 0.00 H new ATOM 0 HG3 PRO A 100 6.258 -3.860 -4.847 1.00 0.00 H new ATOM 0 HD2 PRO A 100 3.576 -4.422 -3.921 1.00 0.00 H new ATOM 0 HD3 PRO A 100 4.922 -3.809 -2.981 1.00 0.00 H new ATOM 1646 N MET A 101 1.800 -1.137 -6.496 1.00 0.00 N ATOM 1647 CA MET A 101 0.597 -1.407 -7.278 1.00 0.00 C ATOM 1648 C MET A 101 0.493 -0.475 -8.478 1.00 0.00 C ATOM 1649 O MET A 101 1.276 0.465 -8.620 1.00 0.00 O ATOM 1650 CB MET A 101 -0.649 -1.265 -6.400 1.00 0.00 C ATOM 1651 CG MET A 101 -0.713 0.051 -5.640 1.00 0.00 C ATOM 1652 SD MET A 101 -1.225 -0.159 -3.924 1.00 0.00 S ATOM 1653 CE MET A 101 -2.792 0.708 -3.926 1.00 0.00 C ATOM 0 H MET A 101 1.974 -0.149 -6.310 1.00 0.00 H new ATOM 0 HA MET A 101 0.664 -2.430 -7.647 1.00 0.00 H new ATOM 0 HB2 MET A 101 -1.537 -1.357 -7.026 1.00 0.00 H new ATOM 0 HB3 MET A 101 -0.676 -2.088 -5.686 1.00 0.00 H new ATOM 0 HG2 MET A 101 0.266 0.529 -5.667 1.00 0.00 H new ATOM 0 HG3 MET A 101 -1.409 0.722 -6.143 1.00 0.00 H new ATOM 0 HE1 MET A 101 -3.233 0.665 -2.930 1.00 0.00 H new ATOM 0 HE2 MET A 101 -2.632 1.749 -4.208 1.00 0.00 H new ATOM 0 HE3 MET A 101 -3.467 0.238 -4.642 1.00 0.00 H new ATOM 1663 N ILE A 102 -0.479 -0.746 -9.341 1.00 0.00 N ATOM 1664 CA ILE A 102 -0.691 0.062 -10.534 1.00 0.00 C ATOM 1665 C ILE A 102 -1.901 0.979 -10.380 1.00 0.00 C ATOM 1666 O ILE A 102 -3.046 0.534 -10.456 1.00 0.00 O ATOM 1667 CB ILE A 102 -0.888 -0.823 -11.783 1.00 0.00 C ATOM 1668 CG1 ILE A 102 0.311 -1.758 -11.968 1.00 0.00 C ATOM 1669 CG2 ILE A 102 -1.097 0.036 -13.024 1.00 0.00 C ATOM 1670 CD1 ILE A 102 1.559 -1.054 -12.459 1.00 0.00 C ATOM 0 H ILE A 102 -1.134 -1.521 -9.236 1.00 0.00 H new ATOM 0 HA ILE A 102 0.204 0.671 -10.662 1.00 0.00 H new ATOM 0 HB ILE A 102 -1.781 -1.431 -11.638 1.00 0.00 H new ATOM 0 HG12 ILE A 102 0.530 -2.247 -11.019 1.00 0.00 H new ATOM 0 HG13 ILE A 102 0.044 -2.542 -12.676 1.00 0.00 H new ATOM 0 HG21 ILE A 102 -1.234 -0.607 -13.893 1.00 0.00 H new ATOM 0 HG22 ILE A 102 -1.982 0.659 -12.891 1.00 0.00 H new ATOM 0 HG23 ILE A 102 -0.225 0.672 -13.177 1.00 0.00 H new ATOM 0 HD11 ILE A 102 2.367 -1.778 -12.567 1.00 0.00 H new ATOM 0 HD12 ILE A 102 1.358 -0.588 -13.424 1.00 0.00 H new ATOM 0 HD13 ILE A 102 1.852 -0.289 -11.740 1.00 0.00 H new ATOM 1682 N LEU A 103 -1.635 2.265 -10.185 1.00 0.00 N ATOM 1683 CA LEU A 103 -2.696 3.258 -10.045 1.00 0.00 C ATOM 1684 C LEU A 103 -2.845 4.032 -11.345 1.00 0.00 C ATOM 1685 O LEU A 103 -1.880 4.192 -12.075 1.00 0.00 O ATOM 1686 CB LEU A 103 -2.402 4.222 -8.894 1.00 0.00 C ATOM 1687 CG LEU A 103 -2.950 3.799 -7.528 1.00 0.00 C ATOM 1688 CD1 LEU A 103 -2.475 4.754 -6.444 1.00 0.00 C ATOM 1689 CD2 LEU A 103 -4.471 3.740 -7.558 1.00 0.00 C ATOM 0 H LEU A 103 -0.691 2.647 -10.120 1.00 0.00 H new ATOM 0 HA LEU A 103 -3.627 2.737 -9.820 1.00 0.00 H new ATOM 0 HB2 LEU A 103 -1.322 4.344 -8.811 1.00 0.00 H new ATOM 0 HB3 LEU A 103 -2.815 5.199 -9.146 1.00 0.00 H new ATOM 0 HG LEU A 103 -2.571 2.803 -7.299 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -2.874 4.438 -5.480 1.00 0.00 H new ATOM 0 HD12 LEU A 103 -1.386 4.748 -6.405 1.00 0.00 H new ATOM 0 HD13 LEU A 103 -2.824 5.762 -6.668 1.00 0.00 H new ATOM 0 HD21 LEU A 103 -4.843 3.438 -6.579 1.00 0.00 H new ATOM 0 HD22 LEU A 103 -4.868 4.723 -7.809 1.00 0.00 H new ATOM 0 HD23 LEU A 103 -4.792 3.017 -8.307 1.00 0.00 H new ATOM 1701 N ASN A 104 -4.060 4.498 -11.628 1.00 0.00 N ATOM 1702 CA ASN A 104 -4.366 5.253 -12.854 1.00 0.00 C ATOM 1703 C ASN A 104 -3.158 5.416 -13.790 1.00 0.00 C ATOM 1704 O ASN A 104 -2.463 6.432 -13.759 1.00 0.00 O ATOM 1705 CB ASN A 104 -4.904 6.634 -12.482 1.00 0.00 C ATOM 1706 CG ASN A 104 -6.228 6.560 -11.748 1.00 0.00 C ATOM 1707 OD1 ASN A 104 -6.270 6.306 -10.545 1.00 0.00 O ATOM 1708 ND2 ASN A 104 -7.320 6.783 -12.471 1.00 0.00 N ATOM 0 H ASN A 104 -4.865 4.365 -11.016 1.00 0.00 H new ATOM 0 HA ASN A 104 -5.113 4.675 -13.398 1.00 0.00 H new ATOM 0 HB2 ASN A 104 -4.174 7.149 -11.858 1.00 0.00 H new ATOM 0 HB3 ASN A 104 -5.026 7.229 -13.387 1.00 0.00 H new ATOM 0 HD21 ASN A 104 -8.239 6.747 -12.031 1.00 0.00 H new ATOM 0 HD22 ASN A 104 -7.239 6.990 -13.466 1.00 0.00 H new ATOM 1715 N GLY A 105 -2.937 4.406 -14.635 1.00 0.00 N ATOM 1716 CA GLY A 105 -1.840 4.433 -15.599 1.00 0.00 C ATOM 1717 C GLY A 105 -0.530 4.965 -15.040 1.00 0.00 C ATOM 1718 O GLY A 105 0.075 5.862 -15.625 1.00 0.00 O ATOM 0 H GLY A 105 -3.505 3.560 -14.669 1.00 0.00 H new ATOM 0 HA2 GLY A 105 -1.678 3.423 -15.976 1.00 0.00 H new ATOM 0 HA3 GLY A 105 -2.135 5.047 -16.450 1.00 0.00 H new ATOM 1722 N VAL A 106 -0.093 4.407 -13.916 1.00 0.00 N ATOM 1723 CA VAL A 106 1.149 4.818 -13.271 1.00 0.00 C ATOM 1724 C VAL A 106 1.584 3.777 -12.245 1.00 0.00 C ATOM 1725 O VAL A 106 0.749 3.131 -11.611 1.00 0.00 O ATOM 1726 CB VAL A 106 0.998 6.183 -12.555 1.00 0.00 C ATOM 1727 CG1 VAL A 106 2.246 6.516 -11.752 1.00 0.00 C ATOM 1728 CG2 VAL A 106 0.695 7.291 -13.552 1.00 0.00 C ATOM 0 H VAL A 106 -0.587 3.660 -13.428 1.00 0.00 H new ATOM 0 HA VAL A 106 1.900 4.912 -14.055 1.00 0.00 H new ATOM 0 HB VAL A 106 0.157 6.106 -11.865 1.00 0.00 H new ATOM 0 HG11 VAL A 106 2.115 7.479 -11.259 1.00 0.00 H new ATOM 0 HG12 VAL A 106 2.412 5.743 -11.001 1.00 0.00 H new ATOM 0 HG13 VAL A 106 3.106 6.564 -12.420 1.00 0.00 H new ATOM 0 HG21 VAL A 106 0.594 8.239 -13.023 1.00 0.00 H new ATOM 0 HG22 VAL A 106 1.508 7.363 -14.274 1.00 0.00 H new ATOM 0 HG23 VAL A 106 -0.235 7.066 -14.075 1.00 0.00 H new ATOM 1738 N CYS A 107 2.892 3.632 -12.067 1.00 0.00 N ATOM 1739 CA CYS A 107 3.424 2.685 -11.096 1.00 0.00 C ATOM 1740 C CYS A 107 3.503 3.354 -9.728 1.00 0.00 C ATOM 1741 O CYS A 107 4.282 4.289 -9.527 1.00 0.00 O ATOM 1742 CB CYS A 107 4.802 2.189 -11.537 1.00 0.00 C ATOM 1743 SG CYS A 107 5.105 0.441 -11.186 1.00 0.00 S ATOM 0 H CYS A 107 3.601 4.156 -12.580 1.00 0.00 H new ATOM 0 HA CYS A 107 2.761 1.822 -11.031 1.00 0.00 H new ATOM 0 HB2 CYS A 107 4.911 2.358 -12.608 1.00 0.00 H new ATOM 0 HB3 CYS A 107 5.567 2.786 -11.041 1.00 0.00 H new ATOM 0 HG CYS A 107 6.332 0.285 -10.784 1.00 0.00 H new ATOM 1749 N VAL A 108 2.665 2.902 -8.799 1.00 0.00 N ATOM 1750 CA VAL A 108 2.617 3.498 -7.472 1.00 0.00 C ATOM 1751 C VAL A 108 2.997 2.524 -6.361 1.00 0.00 C ATOM 1752 O VAL A 108 3.154 1.323 -6.583 1.00 0.00 O ATOM 1753 CB VAL A 108 1.213 4.055 -7.184 1.00 0.00 C ATOM 1754 CG1 VAL A 108 0.871 5.160 -8.172 1.00 0.00 C ATOM 1755 CG2 VAL A 108 0.180 2.940 -7.238 1.00 0.00 C ATOM 0 H VAL A 108 2.014 2.129 -8.941 1.00 0.00 H new ATOM 0 HA VAL A 108 3.355 4.300 -7.476 1.00 0.00 H new ATOM 0 HB VAL A 108 1.203 4.480 -6.180 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -0.126 5.545 -7.956 1.00 0.00 H new ATOM 0 HG12 VAL A 108 1.599 5.966 -8.082 1.00 0.00 H new ATOM 0 HG13 VAL A 108 0.894 4.761 -9.186 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -0.809 3.350 -7.032 1.00 0.00 H new ATOM 0 HG22 VAL A 108 0.186 2.486 -8.229 1.00 0.00 H new ATOM 0 HG23 VAL A 108 0.422 2.183 -6.491 1.00 0.00 H new ATOM 1765 N ILE A 109 3.138 3.078 -5.162 1.00 0.00 N ATOM 1766 CA ILE A 109 3.495 2.320 -3.975 1.00 0.00 C ATOM 1767 C ILE A 109 2.756 2.867 -2.757 1.00 0.00 C ATOM 1768 O ILE A 109 2.938 4.027 -2.389 1.00 0.00 O ATOM 1769 CB ILE A 109 5.005 2.401 -3.686 1.00 0.00 C ATOM 1770 CG1 ILE A 109 5.825 2.206 -4.969 1.00 0.00 C ATOM 1771 CG2 ILE A 109 5.390 1.369 -2.633 1.00 0.00 C ATOM 1772 CD1 ILE A 109 7.307 2.012 -4.719 1.00 0.00 C ATOM 0 H ILE A 109 3.006 4.074 -4.988 1.00 0.00 H new ATOM 0 HA ILE A 109 3.216 1.283 -4.163 1.00 0.00 H new ATOM 0 HB ILE A 109 5.230 3.395 -3.300 1.00 0.00 H new ATOM 0 HG12 ILE A 109 5.440 1.341 -5.508 1.00 0.00 H new ATOM 0 HG13 ILE A 109 5.685 3.073 -5.615 1.00 0.00 H new ATOM 0 HG21 ILE A 109 6.460 1.433 -2.435 1.00 0.00 H new ATOM 0 HG22 ILE A 109 4.838 1.564 -1.714 1.00 0.00 H new ATOM 0 HG23 ILE A 109 5.148 0.370 -2.997 1.00 0.00 H new ATOM 0 HD11 ILE A 109 7.822 1.880 -5.670 1.00 0.00 H new ATOM 0 HD12 ILE A 109 7.707 2.887 -4.207 1.00 0.00 H new ATOM 0 HD13 ILE A 109 7.459 1.128 -4.099 1.00 0.00 H new ATOM 1784 N TRP A 110 1.934 2.037 -2.124 1.00 0.00 N ATOM 1785 CA TRP A 110 1.196 2.473 -0.945 1.00 0.00 C ATOM 1786 C TRP A 110 2.004 2.203 0.320 1.00 0.00 C ATOM 1787 O TRP A 110 2.524 1.104 0.511 1.00 0.00 O ATOM 1788 CB TRP A 110 -0.160 1.770 -0.853 1.00 0.00 C ATOM 1789 CG TRP A 110 -0.960 2.198 0.343 1.00 0.00 C ATOM 1790 CD1 TRP A 110 -1.990 3.092 0.362 1.00 0.00 C ATOM 1791 CD2 TRP A 110 -0.780 1.760 1.695 1.00 0.00 C ATOM 1792 NE1 TRP A 110 -2.465 3.237 1.644 1.00 0.00 N ATOM 1793 CE2 TRP A 110 -1.739 2.430 2.480 1.00 0.00 C ATOM 1794 CE3 TRP A 110 0.095 0.865 2.320 1.00 0.00 C ATOM 1795 CZ2 TRP A 110 -1.844 2.234 3.855 1.00 0.00 C ATOM 1796 CZ3 TRP A 110 -0.011 0.672 3.683 1.00 0.00 C ATOM 1797 CH2 TRP A 110 -0.974 1.353 4.438 1.00 0.00 C ATOM 0 H TRP A 110 1.763 1.071 -2.403 1.00 0.00 H new ATOM 0 HA TRP A 110 1.024 3.545 -1.038 1.00 0.00 H new ATOM 0 HB2 TRP A 110 -0.732 1.974 -1.758 1.00 0.00 H new ATOM 0 HB3 TRP A 110 -0.003 0.692 -0.812 1.00 0.00 H new ATOM 0 HD1 TRP A 110 -2.376 3.610 -0.503 1.00 0.00 H new ATOM 0 HE1 TRP A 110 -3.233 3.846 1.927 1.00 0.00 H new ATOM 0 HE3 TRP A 110 0.840 0.334 1.746 1.00 0.00 H new ATOM 0 HZ2 TRP A 110 -2.585 2.758 4.440 1.00 0.00 H new ATOM 0 HZ3 TRP A 110 0.660 -0.016 4.175 1.00 0.00 H new ATOM 0 HH2 TRP A 110 -1.031 1.179 5.502 1.00 0.00 H new ATOM 1808 N LYS A 111 2.108 3.211 1.178 1.00 0.00 N ATOM 1809 CA LYS A 111 2.857 3.076 2.421 1.00 0.00 C ATOM 1810 C LYS A 111 2.110 3.709 3.585 1.00 0.00 C ATOM 1811 O LYS A 111 1.738 4.880 3.530 1.00 0.00 O ATOM 1812 CB LYS A 111 4.234 3.722 2.282 1.00 0.00 C ATOM 1813 CG LYS A 111 5.317 2.744 1.865 1.00 0.00 C ATOM 1814 CD LYS A 111 5.917 3.117 0.518 1.00 0.00 C ATOM 1815 CE LYS A 111 7.301 3.728 0.672 1.00 0.00 C ATOM 1816 NZ LYS A 111 8.287 2.748 1.206 1.00 0.00 N ATOM 0 H LYS A 111 1.684 4.128 1.036 1.00 0.00 H new ATOM 0 HA LYS A 111 2.975 2.012 2.625 1.00 0.00 H new ATOM 0 HB2 LYS A 111 4.178 4.526 1.548 1.00 0.00 H new ATOM 0 HB3 LYS A 111 4.512 4.177 3.233 1.00 0.00 H new ATOM 0 HG2 LYS A 111 6.102 2.725 2.621 1.00 0.00 H new ATOM 0 HG3 LYS A 111 4.900 1.738 1.813 1.00 0.00 H new ATOM 0 HD2 LYS A 111 5.978 2.230 -0.112 1.00 0.00 H new ATOM 0 HD3 LYS A 111 5.261 3.824 0.010 1.00 0.00 H new ATOM 0 HE2 LYS A 111 7.644 4.097 -0.295 1.00 0.00 H new ATOM 0 HE3 LYS A 111 7.246 4.587 1.340 1.00 0.00 H new ATOM 0 HZ1 LYS A 111 8.962 3.238 1.826 1.00 0.00 H new ATOM 0 HZ2 LYS A 111 7.788 2.014 1.748 1.00 0.00 H new ATOM 0 HZ3 LYS A 111 8.800 2.306 0.416 1.00 0.00 H new ATOM 1830 N GLY A 112 1.898 2.933 4.643 1.00 0.00 N ATOM 1831 CA GLY A 112 1.197 3.462 5.803 1.00 0.00 C ATOM 1832 C GLY A 112 1.075 2.465 6.937 1.00 0.00 C ATOM 1833 O GLY A 112 1.168 1.256 6.724 1.00 0.00 O ATOM 0 H GLY A 112 2.194 1.960 4.720 1.00 0.00 H new ATOM 0 HA2 GLY A 112 1.721 4.348 6.162 1.00 0.00 H new ATOM 0 HA3 GLY A 112 0.200 3.782 5.501 1.00 0.00 H new ATOM 1837 N TRP A 113 0.854 2.974 8.150 1.00 0.00 N ATOM 1838 CA TRP A 113 0.707 2.114 9.317 1.00 0.00 C ATOM 1839 C TRP A 113 -0.662 2.278 9.957 1.00 0.00 C ATOM 1840 O TRP A 113 -1.318 3.312 9.810 1.00 0.00 O ATOM 1841 CB TRP A 113 1.800 2.385 10.361 1.00 0.00 C ATOM 1842 CG TRP A 113 1.807 3.784 10.907 1.00 0.00 C ATOM 1843 CD1 TRP A 113 2.736 4.755 10.656 1.00 0.00 C ATOM 1844 CD2 TRP A 113 0.859 4.362 11.816 1.00 0.00 C ATOM 1845 NE1 TRP A 113 2.412 5.904 11.335 1.00 0.00 N ATOM 1846 CE2 TRP A 113 1.267 5.689 12.055 1.00 0.00 C ATOM 1847 CE3 TRP A 113 -0.298 3.892 12.446 1.00 0.00 C ATOM 1848 CZ2 TRP A 113 0.561 6.546 12.893 1.00 0.00 C ATOM 1849 CZ3 TRP A 113 -0.997 4.746 13.280 1.00 0.00 C ATOM 1850 CH2 TRP A 113 -0.566 6.059 13.496 1.00 0.00 C ATOM 0 H TRP A 113 0.774 3.972 8.346 1.00 0.00 H new ATOM 0 HA TRP A 113 0.810 1.088 8.965 1.00 0.00 H new ATOM 0 HB2 TRP A 113 1.676 1.686 11.188 1.00 0.00 H new ATOM 0 HB3 TRP A 113 2.772 2.179 9.913 1.00 0.00 H new ATOM 0 HD1 TRP A 113 3.599 4.636 10.017 1.00 0.00 H new ATOM 0 HE1 TRP A 113 2.939 6.777 11.307 1.00 0.00 H new ATOM 0 HE3 TRP A 113 -0.640 2.880 12.284 1.00 0.00 H new ATOM 0 HZ2 TRP A 113 0.891 7.560 13.062 1.00 0.00 H new ATOM 0 HZ3 TRP A 113 -1.891 4.393 13.773 1.00 0.00 H new ATOM 0 HH2 TRP A 113 -1.135 6.701 14.152 1.00 0.00 H new ATOM 1861 N ILE A 114 -1.066 1.252 10.695 1.00 0.00 N ATOM 1862 CA ILE A 114 -2.339 1.256 11.402 1.00 0.00 C ATOM 1863 C ILE A 114 -2.090 0.955 12.871 1.00 0.00 C ATOM 1864 O ILE A 114 -1.160 0.221 13.204 1.00 0.00 O ATOM 1865 CB ILE A 114 -3.355 0.225 10.834 1.00 0.00 C ATOM 1866 CG1 ILE A 114 -2.669 -0.805 9.920 1.00 0.00 C ATOM 1867 CG2 ILE A 114 -4.477 0.941 10.093 1.00 0.00 C ATOM 1868 CD1 ILE A 114 -2.231 -0.245 8.582 1.00 0.00 C ATOM 0 H ILE A 114 -0.523 0.398 10.820 1.00 0.00 H new ATOM 0 HA ILE A 114 -2.779 2.244 11.270 1.00 0.00 H new ATOM 0 HB ILE A 114 -3.782 -0.320 11.676 1.00 0.00 H new ATOM 0 HG12 ILE A 114 -1.798 -1.210 10.436 1.00 0.00 H new ATOM 0 HG13 ILE A 114 -3.353 -1.636 9.748 1.00 0.00 H new ATOM 0 HG21 ILE A 114 -5.181 0.207 9.701 1.00 0.00 H new ATOM 0 HG22 ILE A 114 -4.996 1.611 10.778 1.00 0.00 H new ATOM 0 HG23 ILE A 114 -4.058 1.518 9.269 1.00 0.00 H new ATOM 0 HD11 ILE A 114 -1.756 -1.032 7.996 1.00 0.00 H new ATOM 0 HD12 ILE A 114 -3.100 0.134 8.044 1.00 0.00 H new ATOM 0 HD13 ILE A 114 -1.521 0.566 8.742 1.00 0.00 H new ATOM 1880 N ASP A 115 -2.908 1.518 13.750 1.00 0.00 N ATOM 1881 CA ASP A 115 -2.731 1.290 15.174 1.00 0.00 C ATOM 1882 C ASP A 115 -3.441 0.008 15.589 1.00 0.00 C ATOM 1883 O ASP A 115 -4.549 -0.280 15.140 1.00 0.00 O ATOM 1884 CB ASP A 115 -3.230 2.495 15.983 1.00 0.00 C ATOM 1885 CG ASP A 115 -4.687 2.387 16.375 1.00 0.00 C ATOM 1886 OD1 ASP A 115 -5.552 2.839 15.595 1.00 0.00 O ATOM 1887 OD2 ASP A 115 -4.959 1.848 17.465 1.00 0.00 O ATOM 0 H ASP A 115 -3.689 2.127 13.506 1.00 0.00 H new ATOM 0 HA ASP A 115 -1.668 1.173 15.384 1.00 0.00 H new ATOM 0 HB2 ASP A 115 -2.625 2.596 16.884 1.00 0.00 H new ATOM 0 HB3 ASP A 115 -3.084 3.403 15.398 1.00 0.00 H new ATOM 1892 N LEU A 116 -2.765 -0.778 16.415 1.00 0.00 N ATOM 1893 CA LEU A 116 -3.285 -2.063 16.865 1.00 0.00 C ATOM 1894 C LEU A 116 -4.350 -1.937 17.958 1.00 0.00 C ATOM 1895 O LEU A 116 -4.702 -2.929 18.595 1.00 0.00 O ATOM 1896 CB LEU A 116 -2.123 -2.925 17.354 1.00 0.00 C ATOM 1897 CG LEU A 116 -0.880 -2.889 16.453 1.00 0.00 C ATOM 1898 CD1 LEU A 116 0.390 -2.760 17.284 1.00 0.00 C ATOM 1899 CD2 LEU A 116 -0.823 -4.125 15.563 1.00 0.00 C ATOM 0 H LEU A 116 -1.846 -0.545 16.791 1.00 0.00 H new ATOM 0 HA LEU A 116 -3.780 -2.532 16.014 1.00 0.00 H new ATOM 0 HB2 LEU A 116 -1.840 -2.598 18.355 1.00 0.00 H new ATOM 0 HB3 LEU A 116 -2.464 -3.957 17.440 1.00 0.00 H new ATOM 0 HG LEU A 116 -0.952 -2.011 15.811 1.00 0.00 H new ATOM 0 HD11 LEU A 116 1.256 -2.737 16.623 1.00 0.00 H new ATOM 0 HD12 LEU A 116 0.352 -1.839 17.866 1.00 0.00 H new ATOM 0 HD13 LEU A 116 0.471 -3.612 17.959 1.00 0.00 H new ATOM 0 HD21 LEU A 116 0.065 -4.079 14.933 1.00 0.00 H new ATOM 0 HD22 LEU A 116 -0.781 -5.019 16.185 1.00 0.00 H new ATOM 0 HD23 LEU A 116 -1.712 -4.162 14.934 1.00 0.00 H new ATOM 1911 N HIS A 117 -4.878 -0.733 18.167 1.00 0.00 N ATOM 1912 CA HIS A 117 -5.912 -0.531 19.176 1.00 0.00 C ATOM 1913 C HIS A 117 -7.233 -0.167 18.507 1.00 0.00 C ATOM 1914 O HIS A 117 -8.205 -0.922 18.563 1.00 0.00 O ATOM 1915 CB HIS A 117 -5.497 0.572 20.152 1.00 0.00 C ATOM 1916 CG HIS A 117 -4.076 0.461 20.610 1.00 0.00 C ATOM 1917 ND1 HIS A 117 -3.723 0.050 21.878 1.00 0.00 N ATOM 1918 CD2 HIS A 117 -2.913 0.709 19.961 1.00 0.00 C ATOM 1919 CE1 HIS A 117 -2.406 0.049 21.989 1.00 0.00 C ATOM 1920 NE2 HIS A 117 -1.892 0.445 20.840 1.00 0.00 N ATOM 0 H HIS A 117 -4.610 0.108 17.657 1.00 0.00 H new ATOM 0 HA HIS A 117 -6.041 -1.459 19.733 1.00 0.00 H new ATOM 0 HB2 HIS A 117 -5.642 1.541 19.675 1.00 0.00 H new ATOM 0 HB3 HIS A 117 -6.154 0.543 21.021 1.00 0.00 H new ATOM 0 HD2 HIS A 117 -2.808 1.051 18.942 1.00 0.00 H new ATOM 0 HE1 HIS A 117 -1.846 -0.229 22.870 1.00 0.00 H new ATOM 0 HE2 HIS A 117 -0.897 0.540 20.638 1.00 0.00 H new ATOM 1929 N ARG A 118 -7.248 0.991 17.863 1.00 0.00 N ATOM 1930 CA ARG A 118 -8.429 1.478 17.159 1.00 0.00 C ATOM 1931 C ARG A 118 -8.448 0.981 15.712 1.00 0.00 C ATOM 1932 O ARG A 118 -9.461 1.092 15.024 1.00 0.00 O ATOM 1933 CB ARG A 118 -8.484 3.015 17.181 1.00 0.00 C ATOM 1934 CG ARG A 118 -7.465 3.662 18.109 1.00 0.00 C ATOM 1935 CD ARG A 118 -7.569 5.179 18.079 1.00 0.00 C ATOM 1936 NE ARG A 118 -6.414 5.820 18.704 1.00 0.00 N ATOM 1937 CZ ARG A 118 -6.278 5.985 20.017 1.00 0.00 C ATOM 1938 NH1 ARG A 118 -7.217 5.552 20.851 1.00 0.00 N ATOM 1939 NH2 ARG A 118 -5.198 6.582 20.502 1.00 0.00 N ATOM 0 H ARG A 118 -6.446 1.619 17.813 1.00 0.00 H new ATOM 0 HA ARG A 118 -9.305 1.086 17.675 1.00 0.00 H new ATOM 0 HB2 ARG A 118 -8.325 3.388 16.169 1.00 0.00 H new ATOM 0 HB3 ARG A 118 -9.484 3.327 17.483 1.00 0.00 H new ATOM 0 HG2 ARG A 118 -7.621 3.306 19.127 1.00 0.00 H new ATOM 0 HG3 ARG A 118 -6.460 3.359 17.815 1.00 0.00 H new ATOM 0 HD2 ARG A 118 -7.656 5.516 17.046 1.00 0.00 H new ATOM 0 HD3 ARG A 118 -8.478 5.490 18.593 1.00 0.00 H new ATOM 0 HE ARG A 118 -5.668 6.161 18.098 1.00 0.00 H new ATOM 0 HH11 ARG A 118 -8.049 5.089 20.486 1.00 0.00 H new ATOM 0 HH12 ARG A 118 -7.105 5.682 21.856 1.00 0.00 H new ATOM 0 HH21 ARG A 118 -4.471 6.915 19.868 1.00 0.00 H new ATOM 0 HH22 ARG A 118 -5.094 6.708 21.509 1.00 0.00 H new ATOM 1953 N LEU A 119 -7.315 0.442 15.256 1.00 0.00 N ATOM 1954 CA LEU A 119 -7.192 -0.066 13.891 1.00 0.00 C ATOM 1955 C LEU A 119 -7.273 1.065 12.879 1.00 0.00 C ATOM 1956 O LEU A 119 -7.858 0.937 11.800 1.00 0.00 O ATOM 1957 CB LEU A 119 -8.254 -1.112 13.613 1.00 0.00 C ATOM 1958 CG LEU A 119 -7.902 -2.513 14.115 1.00 0.00 C ATOM 1959 CD1 LEU A 119 -9.013 -3.502 13.792 1.00 0.00 C ATOM 1960 CD2 LEU A 119 -6.574 -2.964 13.521 1.00 0.00 C ATOM 0 H LEU A 119 -6.468 0.347 15.816 1.00 0.00 H new ATOM 0 HA LEU A 119 -6.213 -0.535 13.792 1.00 0.00 H new ATOM 0 HB2 LEU A 119 -9.189 -0.797 14.077 1.00 0.00 H new ATOM 0 HB3 LEU A 119 -8.431 -1.157 12.538 1.00 0.00 H new ATOM 0 HG LEU A 119 -7.799 -2.478 15.200 1.00 0.00 H new ATOM 0 HD11 LEU A 119 -8.738 -4.491 14.159 1.00 0.00 H new ATOM 0 HD12 LEU A 119 -9.937 -3.180 14.272 1.00 0.00 H new ATOM 0 HD13 LEU A 119 -9.160 -3.544 12.713 1.00 0.00 H new ATOM 0 HD21 LEU A 119 -6.333 -3.963 13.885 1.00 0.00 H new ATOM 0 HD22 LEU A 119 -6.649 -2.982 12.434 1.00 0.00 H new ATOM 0 HD23 LEU A 119 -5.788 -2.270 13.818 1.00 0.00 H new ATOM 1972 N ASP A 120 -6.656 2.164 13.255 1.00 0.00 N ATOM 1973 CA ASP A 120 -6.595 3.364 12.429 1.00 0.00 C ATOM 1974 C ASP A 120 -5.215 4.004 12.556 1.00 0.00 C ATOM 1975 O ASP A 120 -4.647 4.047 13.647 1.00 0.00 O ATOM 1976 CB ASP A 120 -7.674 4.363 12.854 1.00 0.00 C ATOM 1977 CG ASP A 120 -9.064 3.946 12.410 1.00 0.00 C ATOM 1978 OD1 ASP A 120 -9.388 2.745 12.521 1.00 0.00 O ATOM 1979 OD2 ASP A 120 -9.828 4.822 11.953 1.00 0.00 O ATOM 0 H ASP A 120 -6.176 2.257 14.150 1.00 0.00 H new ATOM 0 HA ASP A 120 -6.771 3.085 11.390 1.00 0.00 H new ATOM 0 HB2 ASP A 120 -7.660 4.468 13.939 1.00 0.00 H new ATOM 0 HB3 ASP A 120 -7.442 5.342 12.436 1.00 0.00 H new ATOM 1984 N GLY A 121 -4.671 4.489 11.446 1.00 0.00 N ATOM 1985 CA GLY A 121 -3.355 5.100 11.492 1.00 0.00 C ATOM 1986 C GLY A 121 -3.162 6.188 10.457 1.00 0.00 C ATOM 1987 O GLY A 121 -4.060 6.994 10.213 1.00 0.00 O ATOM 0 H GLY A 121 -5.110 4.471 10.526 1.00 0.00 H new ATOM 0 HA2 GLY A 121 -3.192 5.520 12.485 1.00 0.00 H new ATOM 0 HA3 GLY A 121 -2.599 4.329 11.344 1.00 0.00 H new ATOM 1991 N MET A 122 -1.979 6.211 9.851 1.00 0.00 N ATOM 1992 CA MET A 122 -1.654 7.210 8.838 1.00 0.00 C ATOM 1993 C MET A 122 -1.015 6.555 7.620 1.00 0.00 C ATOM 1994 O MET A 122 -0.066 5.782 7.746 1.00 0.00 O ATOM 1995 CB MET A 122 -0.712 8.269 9.411 1.00 0.00 C ATOM 1996 CG MET A 122 -1.096 8.740 10.806 1.00 0.00 C ATOM 1997 SD MET A 122 -1.114 10.536 10.957 1.00 0.00 S ATOM 1998 CE MET A 122 -2.571 10.942 9.998 1.00 0.00 C ATOM 0 H MET A 122 -1.228 5.548 10.044 1.00 0.00 H new ATOM 0 HA MET A 122 -2.582 7.692 8.530 1.00 0.00 H new ATOM 0 HB2 MET A 122 0.300 7.865 9.439 1.00 0.00 H new ATOM 0 HB3 MET A 122 -0.694 9.128 8.740 1.00 0.00 H new ATOM 0 HG2 MET A 122 -2.082 8.349 11.058 1.00 0.00 H new ATOM 0 HG3 MET A 122 -0.394 8.326 11.530 1.00 0.00 H new ATOM 0 HE1 MET A 122 -2.676 12.025 9.937 1.00 0.00 H new ATOM 0 HE2 MET A 122 -2.472 10.530 8.994 1.00 0.00 H new ATOM 0 HE3 MET A 122 -3.453 10.518 10.479 1.00 0.00 H new ATOM 2008 N GLY A 123 -1.545 6.865 6.443 1.00 0.00 N ATOM 2009 CA GLY A 123 -1.016 6.294 5.222 1.00 0.00 C ATOM 2010 C GLY A 123 -0.431 7.336 4.295 1.00 0.00 C ATOM 2011 O GLY A 123 -0.377 8.519 4.632 1.00 0.00 O ATOM 0 H GLY A 123 -2.331 7.502 6.314 1.00 0.00 H new ATOM 0 HA2 GLY A 123 -0.247 5.563 5.471 1.00 0.00 H new ATOM 0 HA3 GLY A 123 -1.810 5.757 4.703 1.00 0.00 H new ATOM 2015 N CYS A 124 0.010 6.894 3.125 1.00 0.00 N ATOM 2016 CA CYS A 124 0.600 7.789 2.141 1.00 0.00 C ATOM 2017 C CYS A 124 0.952 7.034 0.867 1.00 0.00 C ATOM 2018 O CYS A 124 1.382 5.881 0.917 1.00 0.00 O ATOM 2019 CB CYS A 124 1.852 8.456 2.717 1.00 0.00 C ATOM 2020 SG CYS A 124 3.247 7.330 2.967 1.00 0.00 S ATOM 0 H CYS A 124 -0.030 5.917 2.834 1.00 0.00 H new ATOM 0 HA CYS A 124 -0.133 8.558 1.896 1.00 0.00 H new ATOM 0 HB2 CYS A 124 2.163 9.258 2.048 1.00 0.00 H new ATOM 0 HB3 CYS A 124 1.597 8.918 3.671 1.00 0.00 H new ATOM 0 HG CYS A 124 2.825 6.233 3.524 1.00 0.00 H new ATOM 2026 N LEU A 125 0.775 7.688 -0.274 1.00 0.00 N ATOM 2027 CA LEU A 125 1.087 7.066 -1.556 1.00 0.00 C ATOM 2028 C LEU A 125 2.460 7.516 -2.050 1.00 0.00 C ATOM 2029 O LEU A 125 2.982 8.540 -1.613 1.00 0.00 O ATOM 2030 CB LEU A 125 0.010 7.396 -2.596 1.00 0.00 C ATOM 2031 CG LEU A 125 -1.350 6.729 -2.362 1.00 0.00 C ATOM 2032 CD1 LEU A 125 -2.262 6.937 -3.565 1.00 0.00 C ATOM 2033 CD2 LEU A 125 -1.176 5.244 -2.076 1.00 0.00 C ATOM 0 H LEU A 125 0.420 8.642 -0.339 1.00 0.00 H new ATOM 0 HA LEU A 125 1.107 5.985 -1.414 1.00 0.00 H new ATOM 0 HB2 LEU A 125 -0.132 8.476 -2.618 1.00 0.00 H new ATOM 0 HB3 LEU A 125 0.376 7.103 -3.580 1.00 0.00 H new ATOM 0 HG LEU A 125 -1.815 7.194 -1.493 1.00 0.00 H new ATOM 0 HD11 LEU A 125 -3.223 6.457 -3.381 1.00 0.00 H new ATOM 0 HD12 LEU A 125 -2.415 8.004 -3.726 1.00 0.00 H new ATOM 0 HD13 LEU A 125 -1.802 6.499 -4.451 1.00 0.00 H new ATOM 0 HD21 LEU A 125 -2.152 4.788 -1.913 1.00 0.00 H new ATOM 0 HD22 LEU A 125 -0.689 4.765 -2.925 1.00 0.00 H new ATOM 0 HD23 LEU A 125 -0.562 5.115 -1.185 1.00 0.00 H new ATOM 2045 N GLU A 126 3.041 6.741 -2.956 1.00 0.00 N ATOM 2046 CA GLU A 126 4.352 7.052 -3.507 1.00 0.00 C ATOM 2047 C GLU A 126 4.455 6.524 -4.929 1.00 0.00 C ATOM 2048 O GLU A 126 3.718 5.622 -5.311 1.00 0.00 O ATOM 2049 CB GLU A 126 5.455 6.443 -2.637 1.00 0.00 C ATOM 2050 CG GLU A 126 6.644 7.367 -2.428 1.00 0.00 C ATOM 2051 CD GLU A 126 7.879 6.627 -1.953 1.00 0.00 C ATOM 2052 OE1 GLU A 126 8.161 5.535 -2.489 1.00 0.00 O ATOM 2053 OE2 GLU A 126 8.565 7.140 -1.043 1.00 0.00 O ATOM 0 H GLU A 126 2.622 5.888 -3.326 1.00 0.00 H new ATOM 0 HA GLU A 126 4.479 8.134 -3.520 1.00 0.00 H new ATOM 0 HB2 GLU A 126 5.036 6.178 -1.666 1.00 0.00 H new ATOM 0 HB3 GLU A 126 5.801 5.518 -3.098 1.00 0.00 H new ATOM 0 HG2 GLU A 126 6.869 7.881 -3.363 1.00 0.00 H new ATOM 0 HG3 GLU A 126 6.381 8.133 -1.699 1.00 0.00 H new ATOM 2060 N PHE A 127 5.358 7.085 -5.716 1.00 0.00 N ATOM 2061 CA PHE A 127 5.530 6.653 -7.085 1.00 0.00 C ATOM 2062 C PHE A 127 6.900 5.999 -7.245 1.00 0.00 C ATOM 2063 O PHE A 127 7.906 6.529 -6.773 1.00 0.00 O ATOM 2064 CB PHE A 127 5.351 7.859 -8.015 1.00 0.00 C ATOM 2065 CG PHE A 127 5.977 7.711 -9.364 1.00 0.00 C ATOM 2066 CD1 PHE A 127 7.347 7.654 -9.497 1.00 0.00 C ATOM 2067 CD2 PHE A 127 5.189 7.634 -10.497 1.00 0.00 C ATOM 2068 CE1 PHE A 127 7.927 7.521 -10.743 1.00 0.00 C ATOM 2069 CE2 PHE A 127 5.762 7.502 -11.744 1.00 0.00 C ATOM 2070 CZ PHE A 127 7.136 7.445 -11.866 1.00 0.00 C ATOM 0 H PHE A 127 5.981 7.839 -5.427 1.00 0.00 H new ATOM 0 HA PHE A 127 4.780 5.909 -7.352 1.00 0.00 H new ATOM 0 HB2 PHE A 127 4.285 8.045 -8.144 1.00 0.00 H new ATOM 0 HB3 PHE A 127 5.772 8.739 -7.530 1.00 0.00 H new ATOM 0 HD1 PHE A 127 7.973 7.714 -8.619 1.00 0.00 H new ATOM 0 HD2 PHE A 127 4.114 7.678 -10.405 1.00 0.00 H new ATOM 0 HE1 PHE A 127 9.002 7.477 -10.836 1.00 0.00 H new ATOM 0 HE2 PHE A 127 5.138 7.443 -12.623 1.00 0.00 H new ATOM 0 HZ PHE A 127 7.589 7.341 -12.841 1.00 0.00 H new ATOM 2080 N ASP A 128 6.935 4.840 -7.894 1.00 0.00 N ATOM 2081 CA ASP A 128 8.192 4.125 -8.088 1.00 0.00 C ATOM 2082 C ASP A 128 8.870 4.552 -9.386 1.00 0.00 C ATOM 2083 O ASP A 128 8.352 4.310 -10.475 1.00 0.00 O ATOM 2084 CB ASP A 128 7.957 2.613 -8.093 1.00 0.00 C ATOM 2085 CG ASP A 128 7.004 2.178 -9.182 1.00 0.00 C ATOM 2086 OD1 ASP A 128 7.471 1.919 -10.311 1.00 0.00 O ATOM 2087 OD2 ASP A 128 5.788 2.096 -8.907 1.00 0.00 O ATOM 0 H ASP A 128 6.116 4.379 -8.291 1.00 0.00 H new ATOM 0 HA ASP A 128 8.850 4.377 -7.256 1.00 0.00 H new ATOM 0 HB2 ASP A 128 8.910 2.101 -8.223 1.00 0.00 H new ATOM 0 HB3 ASP A 128 7.561 2.307 -7.125 1.00 0.00 H new ATOM 2092 N GLU A 129 10.031 5.192 -9.262 1.00 0.00 N ATOM 2093 CA GLU A 129 10.778 5.657 -10.428 1.00 0.00 C ATOM 2094 C GLU A 129 11.654 4.549 -11.012 1.00 0.00 C ATOM 2095 O GLU A 129 12.302 4.742 -12.042 1.00 0.00 O ATOM 2096 CB GLU A 129 11.650 6.860 -10.055 1.00 0.00 C ATOM 2097 CG GLU A 129 10.860 8.104 -9.679 1.00 0.00 C ATOM 2098 CD GLU A 129 11.673 9.085 -8.856 1.00 0.00 C ATOM 2099 OE1 GLU A 129 12.435 8.632 -7.977 1.00 0.00 O ATOM 2100 OE2 GLU A 129 11.545 10.305 -9.091 1.00 0.00 O ATOM 0 H GLU A 129 10.474 5.400 -8.367 1.00 0.00 H new ATOM 0 HA GLU A 129 10.053 5.953 -11.186 1.00 0.00 H new ATOM 0 HB2 GLU A 129 12.293 6.584 -9.219 1.00 0.00 H new ATOM 0 HB3 GLU A 129 12.303 7.097 -10.895 1.00 0.00 H new ATOM 0 HG2 GLU A 129 10.513 8.597 -10.587 1.00 0.00 H new ATOM 0 HG3 GLU A 129 9.974 7.811 -9.117 1.00 0.00 H new