USER MOD reduce.3.24.130724 H: found=0, std=0, add=721, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 722 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 29 LYS NZ :NH3+ 145:sc= -0.12 (180deg=-1.12) USER MOD Set 1.2: A 32 LYS NZ :NH3+ 161:sc= 0 (180deg=0) USER MOD Set 2.1: A 25 LYS NZ :NH3+ -128:sc= 0.871 (180deg=-0.0408) USER MOD Set 2.2: A 35 GLN :FLIP amide:sc= 0.487 F(o=-4.2,f=1.4) USER MOD Single : A 8 MET CE :methyl 180:sc= -11.4! (180deg=-11.4!) USER MOD Single : A 15 GLN : amide:sc= -0.333 K(o=-0.33,f=-2.5!) USER MOD Single : A 17 ASN : amide:sc= -0.461 K(o=-0.46,f=-3.8!) USER MOD Single : A 18 SER OG : rot -99:sc= 1.27 USER MOD Single : A 19 ASN : amide:sc= -0.0427 K(o=-0.043,f=-0.67) USER MOD Single : A 20 THR OG1 : rot 150:sc= -0.359 USER MOD Single : A 28 ASN :FLIP amide:sc= -0.866 F(o=-2.4,f=-0.87) USER MOD Single : A 31 LYS NZ :NH3+ -127:sc= -0.0207 (180deg=-1.35) USER MOD Single : A 57 ASN : amide:sc= -14.1! C(o=-14!,f=-15!) USER MOD Single : A 61 HIS : no HD1:sc= -4.77! C(o=-4.8!,f=-5.7!) USER MOD Single : A 62 THR OG1 : rot -92:sc= 0.369 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 HIS : no HD1:sc= -2.55! C(o=-2.6!,f=-2.8!) USER MOD Single : A 66 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 71 LYS NZ :NH3+ 157:sc= -0.072 (180deg=-0.55) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 THR OG1 : rot 180:sc= 0.0635 USER MOD Single : A 78 LYS NZ :NH3+ -116:sc= 1.36 (180deg=-0.0769) USER MOD Single : A 80 ASN : amide:sc= -0.538 X(o=-0.54,f=-0.062) USER MOD Single : A 83 CYS SG : rot 180:sc= 0.00932 USER MOD Single : A 85 MET CE :methyl 179:sc= -6.24! (180deg=-6.39!) USER MOD Single : A 86 ASN : amide:sc= -4.91! C(o=-4.9!,f=-10!) USER MOD Single : A 87 SER OG : rot 180:sc= 0.246 USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 109 TYR OH : rot -60:sc= -4.28! USER MOD Single : A 111 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 89 N ARG A 7 97.704 -2.428 -13.482 1.00 0.00 N ATOM 90 CA ARG A 7 96.360 -2.365 -12.832 1.00 0.00 C ATOM 91 C ARG A 7 96.495 -2.044 -11.338 1.00 0.00 C ATOM 92 O ARG A 7 97.584 -1.955 -10.793 1.00 0.00 O ATOM 93 CB ARG A 7 95.660 -3.715 -12.991 1.00 0.00 C ATOM 94 CG ARG A 7 94.163 -3.489 -13.208 1.00 0.00 C ATOM 95 CD ARG A 7 93.397 -3.898 -11.949 1.00 0.00 C ATOM 96 NE ARG A 7 92.775 -5.235 -12.161 1.00 0.00 N ATOM 97 CZ ARG A 7 92.044 -5.776 -11.224 1.00 0.00 C ATOM 98 NH1 ARG A 7 91.852 -5.148 -10.094 1.00 0.00 N ATOM 99 NH2 ARG A 7 91.502 -6.948 -11.417 1.00 0.00 N ATOM 0 HA ARG A 7 95.777 -1.578 -13.310 1.00 0.00 H new ATOM 0 HB2 ARG A 7 96.083 -4.259 -13.836 1.00 0.00 H new ATOM 0 HB3 ARG A 7 95.822 -4.328 -12.104 1.00 0.00 H new ATOM 0 HG2 ARG A 7 93.972 -2.441 -13.438 1.00 0.00 H new ATOM 0 HG3 ARG A 7 93.817 -4.071 -14.062 1.00 0.00 H new ATOM 0 HD2 ARG A 7 94.072 -3.930 -11.094 1.00 0.00 H new ATOM 0 HD3 ARG A 7 92.629 -3.159 -11.721 1.00 0.00 H new ATOM 0 HE ARG A 7 92.921 -5.730 -13.041 1.00 0.00 H new ATOM 0 HH11 ARG A 7 92.274 -4.232 -9.942 1.00 0.00 H new ATOM 0 HH12 ARG A 7 91.280 -5.574 -9.365 1.00 0.00 H new ATOM 0 HH21 ARG A 7 91.650 -7.439 -12.299 1.00 0.00 H new ATOM 0 HH22 ARG A 7 90.931 -7.372 -10.686 1.00 0.00 H new ATOM 113 N MET A 8 95.388 -1.884 -10.666 1.00 0.00 N ATOM 114 CA MET A 8 95.437 -1.582 -9.211 1.00 0.00 C ATOM 115 C MET A 8 96.113 -2.745 -8.471 1.00 0.00 C ATOM 116 O MET A 8 96.757 -2.561 -7.455 1.00 0.00 O ATOM 117 CB MET A 8 94.012 -1.407 -8.678 1.00 0.00 C ATOM 118 CG MET A 8 94.064 -0.994 -7.204 1.00 0.00 C ATOM 119 SD MET A 8 93.266 -2.266 -6.191 1.00 0.00 S ATOM 120 CE MET A 8 93.576 -1.511 -4.575 1.00 0.00 C ATOM 0 H MET A 8 94.451 -1.950 -11.064 1.00 0.00 H new ATOM 0 HA MET A 8 96.004 -0.665 -9.050 1.00 0.00 H new ATOM 0 HB2 MET A 8 93.485 -0.651 -9.260 1.00 0.00 H new ATOM 0 HB3 MET A 8 93.455 -2.338 -8.786 1.00 0.00 H new ATOM 0 HG2 MET A 8 95.099 -0.860 -6.889 1.00 0.00 H new ATOM 0 HG3 MET A 8 93.562 -0.036 -7.066 1.00 0.00 H new ATOM 0 HE1 MET A 8 93.158 -2.144 -3.792 1.00 0.00 H new ATOM 0 HE2 MET A 8 94.650 -1.406 -4.423 1.00 0.00 H new ATOM 0 HE3 MET A 8 93.106 -0.528 -4.536 1.00 0.00 H new ATOM 130 N ARG A 9 95.957 -3.945 -8.972 1.00 0.00 N ATOM 131 CA ARG A 9 96.568 -5.139 -8.307 1.00 0.00 C ATOM 132 C ARG A 9 98.085 -4.968 -8.165 1.00 0.00 C ATOM 133 O ARG A 9 98.605 -4.994 -7.066 1.00 0.00 O ATOM 134 CB ARG A 9 96.272 -6.389 -9.139 1.00 0.00 C ATOM 135 CG ARG A 9 95.058 -7.114 -8.553 1.00 0.00 C ATOM 136 CD ARG A 9 94.877 -8.461 -9.254 1.00 0.00 C ATOM 137 NE ARG A 9 93.486 -8.949 -9.037 1.00 0.00 N ATOM 138 CZ ARG A 9 93.200 -10.212 -9.210 1.00 0.00 C ATOM 139 NH1 ARG A 9 94.130 -11.054 -9.573 1.00 0.00 N ATOM 140 NH2 ARG A 9 91.980 -10.633 -9.018 1.00 0.00 N ATOM 0 H ARG A 9 95.429 -4.151 -9.820 1.00 0.00 H new ATOM 0 HA ARG A 9 96.137 -5.242 -7.311 1.00 0.00 H new ATOM 0 HB2 ARG A 9 96.079 -6.112 -10.175 1.00 0.00 H new ATOM 0 HB3 ARG A 9 97.138 -7.051 -9.142 1.00 0.00 H new ATOM 0 HG2 ARG A 9 95.194 -7.265 -7.482 1.00 0.00 H new ATOM 0 HG3 ARG A 9 94.163 -6.505 -8.678 1.00 0.00 H new ATOM 0 HD2 ARG A 9 95.076 -8.358 -10.321 1.00 0.00 H new ATOM 0 HD3 ARG A 9 95.593 -9.185 -8.865 1.00 0.00 H new ATOM 0 HE ARG A 9 92.756 -8.296 -8.753 1.00 0.00 H new ATOM 0 HH11 ARG A 9 95.084 -10.726 -9.723 1.00 0.00 H new ATOM 0 HH12 ARG A 9 93.902 -12.039 -9.707 1.00 0.00 H new ATOM 0 HH21 ARG A 9 91.253 -9.977 -8.734 1.00 0.00 H new ATOM 0 HH22 ARG A 9 91.753 -11.618 -9.152 1.00 0.00 H new ATOM 154 N PRO A 10 98.755 -4.796 -9.275 1.00 0.00 N ATOM 155 CA PRO A 10 100.217 -4.619 -9.293 1.00 0.00 C ATOM 156 C PRO A 10 100.609 -3.291 -8.643 1.00 0.00 C ATOM 157 O PRO A 10 101.650 -3.181 -8.027 1.00 0.00 O ATOM 158 CB PRO A 10 100.577 -4.667 -10.779 1.00 0.00 C ATOM 159 CG PRO A 10 99.280 -4.341 -11.542 1.00 0.00 C ATOM 160 CD PRO A 10 98.125 -4.745 -10.608 1.00 0.00 C ATOM 0 HA PRO A 10 100.750 -5.381 -8.725 1.00 0.00 H new ATOM 0 HB2 PRO A 10 101.360 -3.946 -11.014 1.00 0.00 H new ATOM 0 HB3 PRO A 10 100.956 -5.650 -11.057 1.00 0.00 H new ATOM 0 HG2 PRO A 10 99.229 -3.281 -11.789 1.00 0.00 H new ATOM 0 HG3 PRO A 10 99.232 -4.890 -12.482 1.00 0.00 H new ATOM 0 HD2 PRO A 10 97.312 -4.019 -10.639 1.00 0.00 H new ATOM 0 HD3 PRO A 10 97.702 -5.710 -10.888 1.00 0.00 H new ATOM 168 N TRP A 11 99.784 -2.289 -8.750 1.00 0.00 N ATOM 169 CA TRP A 11 100.123 -0.988 -8.107 1.00 0.00 C ATOM 170 C TRP A 11 100.271 -1.200 -6.591 1.00 0.00 C ATOM 171 O TRP A 11 101.283 -0.867 -5.997 1.00 0.00 O ATOM 172 CB TRP A 11 98.996 0.013 -8.382 1.00 0.00 C ATOM 173 CG TRP A 11 99.451 1.404 -8.066 1.00 0.00 C ATOM 174 CD1 TRP A 11 100.001 2.264 -8.957 1.00 0.00 C ATOM 175 CD2 TRP A 11 99.396 2.112 -6.794 1.00 0.00 C ATOM 176 NE1 TRP A 11 100.283 3.455 -8.310 1.00 0.00 N ATOM 177 CE2 TRP A 11 99.930 3.410 -6.978 1.00 0.00 C ATOM 178 CE3 TRP A 11 98.939 1.760 -5.512 1.00 0.00 C ATOM 179 CZ2 TRP A 11 100.008 4.326 -5.930 1.00 0.00 C ATOM 180 CZ3 TRP A 11 99.018 2.678 -4.452 1.00 0.00 C ATOM 181 CH2 TRP A 11 99.550 3.958 -4.661 1.00 0.00 C ATOM 0 H TRP A 11 98.896 -2.312 -9.251 1.00 0.00 H new ATOM 0 HA TRP A 11 101.059 -0.602 -8.512 1.00 0.00 H new ATOM 0 HB2 TRP A 11 98.691 -0.049 -9.427 1.00 0.00 H new ATOM 0 HB3 TRP A 11 98.123 -0.237 -7.780 1.00 0.00 H new ATOM 0 HD1 TRP A 11 100.188 2.055 -10.000 1.00 0.00 H new ATOM 0 HE1 TRP A 11 100.701 4.267 -8.764 1.00 0.00 H new ATOM 0 HE3 TRP A 11 98.525 0.777 -5.341 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 100.418 5.311 -6.097 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 98.667 2.396 -3.470 1.00 0.00 H new ATOM 0 HH2 TRP A 11 99.606 4.660 -3.842 1.00 0.00 H new ATOM 192 N LEU A 12 99.271 -1.764 -5.965 1.00 0.00 N ATOM 193 CA LEU A 12 99.339 -2.007 -4.497 1.00 0.00 C ATOM 194 C LEU A 12 100.360 -3.102 -4.207 1.00 0.00 C ATOM 195 O LEU A 12 100.983 -3.119 -3.166 1.00 0.00 O ATOM 196 CB LEU A 12 97.964 -2.453 -3.995 1.00 0.00 C ATOM 197 CG LEU A 12 97.440 -1.450 -2.966 1.00 0.00 C ATOM 198 CD1 LEU A 12 97.146 -0.117 -3.655 1.00 0.00 C ATOM 199 CD2 LEU A 12 96.155 -1.992 -2.339 1.00 0.00 C ATOM 0 H LEU A 12 98.406 -2.068 -6.412 1.00 0.00 H new ATOM 0 HA LEU A 12 99.637 -1.089 -3.990 1.00 0.00 H new ATOM 0 HB2 LEU A 12 97.268 -2.528 -4.831 1.00 0.00 H new ATOM 0 HB3 LEU A 12 98.034 -3.445 -3.548 1.00 0.00 H new ATOM 0 HG LEU A 12 98.191 -1.299 -2.190 1.00 0.00 H new ATOM 0 HD11 LEU A 12 96.773 0.597 -2.921 1.00 0.00 H new ATOM 0 HD12 LEU A 12 98.060 0.270 -4.105 1.00 0.00 H new ATOM 0 HD13 LEU A 12 96.395 -0.266 -4.431 1.00 0.00 H new ATOM 0 HD21 LEU A 12 95.779 -1.279 -1.605 1.00 0.00 H new ATOM 0 HD22 LEU A 12 95.406 -2.141 -3.116 1.00 0.00 H new ATOM 0 HD23 LEU A 12 96.363 -2.943 -1.848 1.00 0.00 H new ATOM 211 N GLU A 13 100.539 -4.019 -5.116 1.00 0.00 N ATOM 212 CA GLU A 13 101.525 -5.106 -4.879 1.00 0.00 C ATOM 213 C GLU A 13 102.911 -4.491 -4.696 1.00 0.00 C ATOM 214 O GLU A 13 103.664 -4.868 -3.819 1.00 0.00 O ATOM 215 CB GLU A 13 101.543 -6.056 -6.079 1.00 0.00 C ATOM 216 CG GLU A 13 102.576 -7.159 -5.838 1.00 0.00 C ATOM 217 CD GLU A 13 102.962 -7.795 -7.174 1.00 0.00 C ATOM 218 OE1 GLU A 13 103.696 -7.167 -7.917 1.00 0.00 O ATOM 219 OE2 GLU A 13 102.515 -8.902 -7.432 1.00 0.00 O ATOM 0 H GLU A 13 100.047 -4.062 -6.008 1.00 0.00 H new ATOM 0 HA GLU A 13 101.247 -5.663 -3.985 1.00 0.00 H new ATOM 0 HB2 GLU A 13 100.555 -6.493 -6.226 1.00 0.00 H new ATOM 0 HB3 GLU A 13 101.787 -5.507 -6.988 1.00 0.00 H new ATOM 0 HG2 GLU A 13 103.459 -6.745 -5.351 1.00 0.00 H new ATOM 0 HG3 GLU A 13 102.167 -7.915 -5.168 1.00 0.00 H new ATOM 226 N GLU A 14 103.250 -3.540 -5.522 1.00 0.00 N ATOM 227 CA GLU A 14 104.582 -2.892 -5.406 1.00 0.00 C ATOM 228 C GLU A 14 104.600 -1.973 -4.184 1.00 0.00 C ATOM 229 O GLU A 14 105.558 -1.939 -3.440 1.00 0.00 O ATOM 230 CB GLU A 14 104.860 -2.070 -6.665 1.00 0.00 C ATOM 231 CG GLU A 14 105.430 -2.982 -7.754 1.00 0.00 C ATOM 232 CD GLU A 14 106.941 -2.774 -7.856 1.00 0.00 C ATOM 233 OE1 GLU A 14 107.632 -3.115 -6.909 1.00 0.00 O ATOM 234 OE2 GLU A 14 107.383 -2.279 -8.880 1.00 0.00 O ATOM 0 H GLU A 14 102.659 -3.184 -6.273 1.00 0.00 H new ATOM 0 HA GLU A 14 105.349 -3.658 -5.294 1.00 0.00 H new ATOM 0 HB2 GLU A 14 103.942 -1.598 -7.015 1.00 0.00 H new ATOM 0 HB3 GLU A 14 105.564 -1.269 -6.441 1.00 0.00 H new ATOM 0 HG2 GLU A 14 105.211 -4.024 -7.522 1.00 0.00 H new ATOM 0 HG3 GLU A 14 104.957 -2.763 -8.711 1.00 0.00 H new ATOM 241 N GLN A 15 103.552 -1.223 -3.970 1.00 0.00 N ATOM 242 CA GLN A 15 103.532 -0.310 -2.790 1.00 0.00 C ATOM 243 C GLN A 15 103.790 -1.108 -1.508 1.00 0.00 C ATOM 244 O GLN A 15 104.492 -0.662 -0.623 1.00 0.00 O ATOM 245 CB GLN A 15 102.173 0.381 -2.702 1.00 0.00 C ATOM 246 CG GLN A 15 101.909 1.132 -4.005 1.00 0.00 C ATOM 247 CD GLN A 15 102.646 2.471 -3.986 1.00 0.00 C ATOM 248 OE1 GLN A 15 102.484 3.256 -3.074 1.00 0.00 O ATOM 249 NE2 GLN A 15 103.458 2.766 -4.964 1.00 0.00 N ATOM 0 H GLN A 15 102.716 -1.202 -4.555 1.00 0.00 H new ATOM 0 HA GLN A 15 104.314 0.441 -2.904 1.00 0.00 H new ATOM 0 HB2 GLN A 15 101.388 -0.354 -2.526 1.00 0.00 H new ATOM 0 HB3 GLN A 15 102.157 1.072 -1.860 1.00 0.00 H new ATOM 0 HG2 GLN A 15 102.242 0.535 -4.854 1.00 0.00 H new ATOM 0 HG3 GLN A 15 100.839 1.297 -4.131 1.00 0.00 H new ATOM 0 HE21 GLN A 15 103.594 2.107 -5.730 1.00 0.00 H new ATOM 0 HE22 GLN A 15 103.956 3.656 -4.962 1.00 0.00 H new ATOM 258 N ILE A 16 103.232 -2.284 -1.397 1.00 0.00 N ATOM 259 CA ILE A 16 103.455 -3.100 -0.168 1.00 0.00 C ATOM 260 C ILE A 16 104.860 -3.704 -0.204 1.00 0.00 C ATOM 261 O ILE A 16 105.653 -3.508 0.694 1.00 0.00 O ATOM 262 CB ILE A 16 102.425 -4.232 -0.099 1.00 0.00 C ATOM 263 CG1 ILE A 16 101.023 -3.674 -0.341 1.00 0.00 C ATOM 264 CG2 ILE A 16 102.473 -4.884 1.284 1.00 0.00 C ATOM 265 CD1 ILE A 16 100.205 -4.698 -1.127 1.00 0.00 C ATOM 0 H ILE A 16 102.633 -2.714 -2.102 1.00 0.00 H new ATOM 0 HA ILE A 16 103.349 -2.460 0.708 1.00 0.00 H new ATOM 0 HB ILE A 16 102.658 -4.972 -0.864 1.00 0.00 H new ATOM 0 HG12 ILE A 16 100.537 -3.454 0.609 1.00 0.00 H new ATOM 0 HG13 ILE A 16 101.082 -2.736 -0.893 1.00 0.00 H new ATOM 0 HG21 ILE A 16 101.740 -5.689 1.332 1.00 0.00 H new ATOM 0 HG22 ILE A 16 103.469 -5.289 1.461 1.00 0.00 H new ATOM 0 HG23 ILE A 16 102.244 -4.139 2.046 1.00 0.00 H new ATOM 0 HD11 ILE A 16 99.203 -4.306 -1.303 1.00 0.00 H new ATOM 0 HD12 ILE A 16 100.691 -4.895 -2.083 1.00 0.00 H new ATOM 0 HD13 ILE A 16 100.137 -5.624 -0.557 1.00 0.00 H new ATOM 277 N ASN A 17 105.173 -4.441 -1.236 1.00 0.00 N ATOM 278 CA ASN A 17 106.527 -5.059 -1.324 1.00 0.00 C ATOM 279 C ASN A 17 107.591 -4.020 -0.967 1.00 0.00 C ATOM 280 O ASN A 17 108.628 -4.339 -0.420 1.00 0.00 O ATOM 281 CB ASN A 17 106.765 -5.561 -2.750 1.00 0.00 C ATOM 282 CG ASN A 17 107.349 -6.975 -2.708 1.00 0.00 C ATOM 283 OD1 ASN A 17 107.403 -7.591 -1.662 1.00 0.00 O ATOM 284 ND2 ASN A 17 107.794 -7.517 -3.808 1.00 0.00 N ATOM 0 H ASN A 17 104.551 -4.641 -2.020 1.00 0.00 H new ATOM 0 HA ASN A 17 106.589 -5.894 -0.627 1.00 0.00 H new ATOM 0 HB2 ASN A 17 105.828 -5.560 -3.307 1.00 0.00 H new ATOM 0 HB3 ASN A 17 107.447 -4.891 -3.273 1.00 0.00 H new ATOM 0 HD21 ASN A 17 108.187 -8.458 -3.790 1.00 0.00 H new ATOM 0 HD22 ASN A 17 107.749 -7.000 -4.686 1.00 0.00 H new ATOM 291 N SER A 18 107.346 -2.779 -1.283 1.00 0.00 N ATOM 292 CA SER A 18 108.345 -1.716 -0.975 1.00 0.00 C ATOM 293 C SER A 18 108.079 -1.123 0.413 1.00 0.00 C ATOM 294 O SER A 18 108.981 -0.654 1.078 1.00 0.00 O ATOM 295 CB SER A 18 108.244 -0.609 -2.026 1.00 0.00 C ATOM 296 OG SER A 18 106.894 -0.175 -2.121 1.00 0.00 O ATOM 0 H SER A 18 106.495 -2.454 -1.742 1.00 0.00 H new ATOM 0 HA SER A 18 109.344 -2.152 -0.988 1.00 0.00 H new ATOM 0 HB2 SER A 18 108.889 0.227 -1.754 1.00 0.00 H new ATOM 0 HB3 SER A 18 108.589 -0.976 -2.992 1.00 0.00 H new ATOM 0 HG SER A 18 106.466 -0.603 -2.892 1.00 0.00 H new ATOM 302 N ASN A 19 106.849 -1.124 0.851 1.00 0.00 N ATOM 303 CA ASN A 19 106.533 -0.542 2.187 1.00 0.00 C ATOM 304 C ASN A 19 106.603 0.984 2.086 1.00 0.00 C ATOM 305 O ASN A 19 107.519 1.610 2.581 1.00 0.00 O ATOM 306 CB ASN A 19 107.550 -1.038 3.220 1.00 0.00 C ATOM 307 CG ASN A 19 106.995 -0.822 4.629 1.00 0.00 C ATOM 308 OD1 ASN A 19 105.937 -1.320 4.963 1.00 0.00 O ATOM 309 ND2 ASN A 19 107.669 -0.095 5.478 1.00 0.00 N ATOM 0 H ASN A 19 106.050 -1.502 0.342 1.00 0.00 H new ATOM 0 HA ASN A 19 105.534 -0.848 2.499 1.00 0.00 H new ATOM 0 HB2 ASN A 19 107.761 -2.095 3.059 1.00 0.00 H new ATOM 0 HB3 ASN A 19 108.493 -0.503 3.103 1.00 0.00 H new ATOM 0 HD21 ASN A 19 107.308 0.055 6.420 1.00 0.00 H new ATOM 0 HD22 ASN A 19 108.557 0.323 5.199 1.00 0.00 H new ATOM 316 N THR A 20 105.645 1.580 1.432 1.00 0.00 N ATOM 317 CA THR A 20 105.650 3.063 1.271 1.00 0.00 C ATOM 318 C THR A 20 105.128 3.739 2.539 1.00 0.00 C ATOM 319 O THR A 20 105.445 4.879 2.819 1.00 0.00 O ATOM 320 CB THR A 20 104.745 3.439 0.096 1.00 0.00 C ATOM 321 OG1 THR A 20 104.565 4.851 0.063 1.00 0.00 O ATOM 322 CG2 THR A 20 103.387 2.754 0.259 1.00 0.00 C ATOM 0 H THR A 20 104.854 1.102 1.000 1.00 0.00 H new ATOM 0 HA THR A 20 106.671 3.397 1.086 1.00 0.00 H new ATOM 0 HB THR A 20 105.208 3.113 -0.836 1.00 0.00 H new ATOM 0 HG1 THR A 20 104.430 5.142 -0.863 1.00 0.00 H new ATOM 0 HG21 THR A 20 102.742 3.022 -0.578 1.00 0.00 H new ATOM 0 HG22 THR A 20 103.525 1.673 0.280 1.00 0.00 H new ATOM 0 HG23 THR A 20 102.925 3.079 1.191 1.00 0.00 H new ATOM 330 N ILE A 21 104.317 3.061 3.303 1.00 0.00 N ATOM 331 CA ILE A 21 103.769 3.691 4.537 1.00 0.00 C ATOM 332 C ILE A 21 103.958 2.752 5.734 1.00 0.00 C ATOM 333 O ILE A 21 103.793 1.554 5.609 1.00 0.00 O ATOM 334 CB ILE A 21 102.278 3.973 4.327 1.00 0.00 C ATOM 335 CG1 ILE A 21 102.105 4.876 3.100 1.00 0.00 C ATOM 336 CG2 ILE A 21 101.704 4.671 5.561 1.00 0.00 C ATOM 337 CD1 ILE A 21 100.687 5.452 3.076 1.00 0.00 C ATOM 0 H ILE A 21 104.011 2.104 3.128 1.00 0.00 H new ATOM 0 HA ILE A 21 104.297 4.623 4.739 1.00 0.00 H new ATOM 0 HB ILE A 21 101.749 3.033 4.170 1.00 0.00 H new ATOM 0 HG12 ILE A 21 102.835 5.685 3.126 1.00 0.00 H new ATOM 0 HG13 ILE A 21 102.292 4.307 2.189 1.00 0.00 H new ATOM 0 HG21 ILE A 21 100.643 4.869 5.406 1.00 0.00 H new ATOM 0 HG22 ILE A 21 101.830 4.030 6.433 1.00 0.00 H new ATOM 0 HG23 ILE A 21 102.229 5.612 5.724 1.00 0.00 H new ATOM 0 HD11 ILE A 21 100.569 6.093 2.202 1.00 0.00 H new ATOM 0 HD12 ILE A 21 99.964 4.638 3.029 1.00 0.00 H new ATOM 0 HD13 ILE A 21 100.516 6.036 3.980 1.00 0.00 H new ATOM 349 N PRO A 22 104.287 3.329 6.867 1.00 0.00 N ATOM 350 CA PRO A 22 104.494 2.565 8.108 1.00 0.00 C ATOM 351 C PRO A 22 103.146 2.101 8.658 1.00 0.00 C ATOM 352 O PRO A 22 102.527 2.758 9.471 1.00 0.00 O ATOM 353 CB PRO A 22 105.174 3.565 9.046 1.00 0.00 C ATOM 354 CG PRO A 22 104.829 4.971 8.505 1.00 0.00 C ATOM 355 CD PRO A 22 104.473 4.789 7.017 1.00 0.00 C ATOM 0 HA PRO A 22 105.094 1.665 7.974 1.00 0.00 H new ATOM 0 HB2 PRO A 22 104.817 3.444 10.069 1.00 0.00 H new ATOM 0 HB3 PRO A 22 106.253 3.409 9.064 1.00 0.00 H new ATOM 0 HG2 PRO A 22 103.993 5.404 9.054 1.00 0.00 H new ATOM 0 HG3 PRO A 22 105.673 5.650 8.622 1.00 0.00 H new ATOM 0 HD2 PRO A 22 103.567 5.335 6.754 1.00 0.00 H new ATOM 0 HD3 PRO A 22 105.268 5.158 6.369 1.00 0.00 H new ATOM 363 N GLY A 23 102.689 0.973 8.199 1.00 0.00 N ATOM 364 CA GLY A 23 101.379 0.442 8.657 1.00 0.00 C ATOM 365 C GLY A 23 100.841 -0.496 7.577 1.00 0.00 C ATOM 366 O GLY A 23 100.084 -1.407 7.847 1.00 0.00 O ATOM 0 H GLY A 23 103.174 0.389 7.517 1.00 0.00 H new ATOM 0 HA2 GLY A 23 101.494 -0.091 9.601 1.00 0.00 H new ATOM 0 HA3 GLY A 23 100.679 1.258 8.835 1.00 0.00 H new ATOM 370 N LEU A 24 101.247 -0.282 6.352 1.00 0.00 N ATOM 371 CA LEU A 24 100.787 -1.156 5.244 1.00 0.00 C ATOM 372 C LEU A 24 101.969 -2.033 4.814 1.00 0.00 C ATOM 373 O LEU A 24 103.034 -1.540 4.502 1.00 0.00 O ATOM 374 CB LEU A 24 100.295 -0.263 4.085 1.00 0.00 C ATOM 375 CG LEU A 24 100.803 -0.792 2.746 1.00 0.00 C ATOM 376 CD1 LEU A 24 100.223 -2.186 2.507 1.00 0.00 C ATOM 377 CD2 LEU A 24 100.368 0.146 1.617 1.00 0.00 C ATOM 0 H LEU A 24 101.882 0.467 6.075 1.00 0.00 H new ATOM 0 HA LEU A 24 99.963 -1.800 5.552 1.00 0.00 H new ATOM 0 HB2 LEU A 24 99.205 -0.232 4.080 1.00 0.00 H new ATOM 0 HB3 LEU A 24 100.642 0.759 4.234 1.00 0.00 H new ATOM 0 HG LEU A 24 101.892 -0.844 2.764 1.00 0.00 H new ATOM 0 HD11 LEU A 24 100.582 -2.570 1.552 1.00 0.00 H new ATOM 0 HD12 LEU A 24 100.539 -2.854 3.309 1.00 0.00 H new ATOM 0 HD13 LEU A 24 99.135 -2.129 2.490 1.00 0.00 H new ATOM 0 HD21 LEU A 24 100.734 -0.237 0.664 1.00 0.00 H new ATOM 0 HD22 LEU A 24 99.280 0.204 1.591 1.00 0.00 H new ATOM 0 HD23 LEU A 24 100.780 1.140 1.791 1.00 0.00 H new ATOM 389 N LYS A 25 101.801 -3.327 4.802 1.00 0.00 N ATOM 390 CA LYS A 25 102.943 -4.204 4.397 1.00 0.00 C ATOM 391 C LYS A 25 102.465 -5.631 4.117 1.00 0.00 C ATOM 392 O LYS A 25 101.313 -5.963 4.306 1.00 0.00 O ATOM 393 CB LYS A 25 103.999 -4.229 5.510 1.00 0.00 C ATOM 394 CG LYS A 25 103.355 -3.862 6.847 1.00 0.00 C ATOM 395 CD LYS A 25 102.203 -4.824 7.135 1.00 0.00 C ATOM 396 CE LYS A 25 102.210 -5.192 8.621 1.00 0.00 C ATOM 397 NZ LYS A 25 101.898 -3.984 9.435 1.00 0.00 N ATOM 0 H LYS A 25 100.938 -3.812 5.050 1.00 0.00 H new ATOM 0 HA LYS A 25 103.378 -3.797 3.484 1.00 0.00 H new ATOM 0 HB2 LYS A 25 104.450 -5.219 5.573 1.00 0.00 H new ATOM 0 HB3 LYS A 25 104.801 -3.528 5.278 1.00 0.00 H new ATOM 0 HG2 LYS A 25 104.095 -3.913 7.646 1.00 0.00 H new ATOM 0 HG3 LYS A 25 102.988 -2.836 6.817 1.00 0.00 H new ATOM 0 HD2 LYS A 25 101.253 -4.362 6.868 1.00 0.00 H new ATOM 0 HD3 LYS A 25 102.303 -5.722 6.526 1.00 0.00 H new ATOM 0 HE2 LYS A 25 101.476 -5.974 8.816 1.00 0.00 H new ATOM 0 HE3 LYS A 25 103.184 -5.591 8.903 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 102.626 -3.861 10.167 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 101.881 -3.146 8.820 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 100.969 -4.100 9.887 1.00 0.00 H new ATOM 411 N TRP A 26 103.357 -6.477 3.666 1.00 0.00 N ATOM 412 CA TRP A 26 102.982 -7.892 3.366 1.00 0.00 C ATOM 413 C TRP A 26 103.120 -8.744 4.629 1.00 0.00 C ATOM 414 O TRP A 26 104.204 -9.174 4.968 1.00 0.00 O ATOM 415 CB TRP A 26 103.943 -8.471 2.321 1.00 0.00 C ATOM 416 CG TRP A 26 103.613 -7.981 0.949 1.00 0.00 C ATOM 417 CD1 TRP A 26 104.442 -7.247 0.176 1.00 0.00 C ATOM 418 CD2 TRP A 26 102.405 -8.193 0.163 1.00 0.00 C ATOM 419 NE1 TRP A 26 103.818 -6.983 -1.029 1.00 0.00 N ATOM 420 CE2 TRP A 26 102.560 -7.547 -1.085 1.00 0.00 C ATOM 421 CE3 TRP A 26 101.202 -8.871 0.412 1.00 0.00 C ATOM 422 CZ2 TRP A 26 101.556 -7.576 -2.052 1.00 0.00 C ATOM 423 CZ3 TRP A 26 100.188 -8.903 -0.559 1.00 0.00 C ATOM 424 CH2 TRP A 26 100.365 -8.256 -1.789 1.00 0.00 C ATOM 0 H TRP A 26 104.335 -6.246 3.492 1.00 0.00 H new ATOM 0 HA TRP A 26 101.955 -7.905 3.000 1.00 0.00 H new ATOM 0 HB2 TRP A 26 104.967 -8.193 2.572 1.00 0.00 H new ATOM 0 HB3 TRP A 26 103.894 -9.560 2.342 1.00 0.00 H new ATOM 0 HD1 TRP A 26 105.433 -6.919 0.454 1.00 0.00 H new ATOM 0 HE1 TRP A 26 104.236 -6.439 -1.784 1.00 0.00 H new ATOM 0 HE3 TRP A 26 101.055 -9.372 1.357 1.00 0.00 H new ATOM 0 HZ2 TRP A 26 101.699 -7.076 -2.998 1.00 0.00 H new ATOM 0 HZ3 TRP A 26 99.267 -9.429 -0.357 1.00 0.00 H new ATOM 0 HH2 TRP A 26 99.582 -8.283 -2.532 1.00 0.00 H new ATOM 435 N LEU A 27 102.048 -9.038 5.315 1.00 0.00 N ATOM 436 CA LEU A 27 102.191 -9.908 6.515 1.00 0.00 C ATOM 437 C LEU A 27 102.958 -11.145 6.072 1.00 0.00 C ATOM 438 O LEU A 27 103.770 -11.696 6.788 1.00 0.00 O ATOM 439 CB LEU A 27 100.816 -10.340 7.032 1.00 0.00 C ATOM 440 CG LEU A 27 99.949 -9.124 7.364 1.00 0.00 C ATOM 441 CD1 LEU A 27 98.909 -9.537 8.403 1.00 0.00 C ATOM 442 CD2 LEU A 27 100.811 -7.998 7.942 1.00 0.00 C ATOM 0 H LEU A 27 101.102 -8.722 5.103 1.00 0.00 H new ATOM 0 HA LEU A 27 102.705 -9.372 7.312 1.00 0.00 H new ATOM 0 HB2 LEU A 27 100.317 -10.953 6.281 1.00 0.00 H new ATOM 0 HB3 LEU A 27 100.936 -10.959 7.921 1.00 0.00 H new ATOM 0 HG LEU A 27 99.464 -8.767 6.455 1.00 0.00 H new ATOM 0 HD11 LEU A 27 98.282 -8.680 8.651 1.00 0.00 H new ATOM 0 HD12 LEU A 27 98.288 -10.336 7.998 1.00 0.00 H new ATOM 0 HD13 LEU A 27 99.414 -9.890 9.303 1.00 0.00 H new ATOM 0 HD21 LEU A 27 100.181 -7.139 8.173 1.00 0.00 H new ATOM 0 HD22 LEU A 27 101.300 -8.345 8.852 1.00 0.00 H new ATOM 0 HD23 LEU A 27 101.567 -7.707 7.212 1.00 0.00 H new ATOM 454 N ASN A 28 102.695 -11.565 4.868 1.00 0.00 N ATOM 455 CA ASN A 28 103.378 -12.751 4.298 1.00 0.00 C ATOM 456 C ASN A 28 103.269 -12.662 2.776 1.00 0.00 C ATOM 457 O ASN A 28 102.332 -13.156 2.179 1.00 0.00 O ATOM 458 CB ASN A 28 102.698 -14.029 4.795 1.00 0.00 C ATOM 459 CG ASN A 28 103.531 -14.651 5.918 1.00 0.00 C ATOM 460 OD1 ASN A 28 104.828 -14.721 5.790 1.00 0.00 O flip ATOM 461 ND2 ASN A 28 102.996 -15.078 6.921 1.00 0.00 N flip ATOM 0 H ASN A 28 102.020 -11.124 4.243 1.00 0.00 H new ATOM 0 HA ASN A 28 104.424 -12.776 4.605 1.00 0.00 H new ATOM 0 HB2 ASN A 28 101.695 -13.802 5.156 1.00 0.00 H new ATOM 0 HB3 ASN A 28 102.589 -14.738 3.974 1.00 0.00 H new ATOM 0 HD21 ASN A 28 101.982 -15.023 7.021 1.00 0.00 H new ATOM 0 HD22 ASN A 28 103.560 -15.491 7.663 1.00 0.00 H new ATOM 468 N LYS A 29 104.209 -12.013 2.146 1.00 0.00 N ATOM 469 CA LYS A 29 104.157 -11.871 0.666 1.00 0.00 C ATOM 470 C LYS A 29 104.203 -13.262 0.025 1.00 0.00 C ATOM 471 O LYS A 29 103.757 -13.459 -1.088 1.00 0.00 O ATOM 472 CB LYS A 29 105.350 -11.019 0.201 1.00 0.00 C ATOM 473 CG LYS A 29 105.506 -11.101 -1.322 1.00 0.00 C ATOM 474 CD LYS A 29 104.615 -10.048 -1.983 1.00 0.00 C ATOM 475 CE LYS A 29 103.373 -10.721 -2.565 1.00 0.00 C ATOM 476 NZ LYS A 29 103.459 -10.724 -4.052 1.00 0.00 N ATOM 0 H LYS A 29 105.013 -11.574 2.595 1.00 0.00 H new ATOM 0 HA LYS A 29 103.233 -11.377 0.365 1.00 0.00 H new ATOM 0 HB2 LYS A 29 105.203 -9.982 0.502 1.00 0.00 H new ATOM 0 HB3 LYS A 29 106.263 -11.366 0.685 1.00 0.00 H new ATOM 0 HG2 LYS A 29 106.547 -10.939 -1.601 1.00 0.00 H new ATOM 0 HG3 LYS A 29 105.233 -12.096 -1.673 1.00 0.00 H new ATOM 0 HD2 LYS A 29 104.324 -9.293 -1.253 1.00 0.00 H new ATOM 0 HD3 LYS A 29 105.165 -9.534 -2.771 1.00 0.00 H new ATOM 0 HE2 LYS A 29 103.292 -11.742 -2.193 1.00 0.00 H new ATOM 0 HE3 LYS A 29 102.476 -10.192 -2.243 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 103.032 -11.597 -4.423 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 102.949 -9.901 -4.431 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 104.457 -10.677 -4.342 1.00 0.00 H new ATOM 490 N GLU A 30 104.729 -14.233 0.722 1.00 0.00 N ATOM 491 CA GLU A 30 104.793 -15.610 0.152 1.00 0.00 C ATOM 492 C GLU A 30 103.377 -16.101 -0.163 1.00 0.00 C ATOM 493 O GLU A 30 103.168 -16.886 -1.067 1.00 0.00 O ATOM 494 CB GLU A 30 105.450 -16.551 1.166 1.00 0.00 C ATOM 495 CG GLU A 30 104.589 -16.635 2.430 1.00 0.00 C ATOM 496 CD GLU A 30 105.488 -16.531 3.665 1.00 0.00 C ATOM 497 OE1 GLU A 30 106.415 -15.740 3.633 1.00 0.00 O ATOM 498 OE2 GLU A 30 105.233 -17.247 4.621 1.00 0.00 O ATOM 0 H GLU A 30 105.117 -14.133 1.660 1.00 0.00 H new ATOM 0 HA GLU A 30 105.382 -15.597 -0.765 1.00 0.00 H new ATOM 0 HB2 GLU A 30 105.570 -17.543 0.730 1.00 0.00 H new ATOM 0 HB3 GLU A 30 106.447 -16.190 1.418 1.00 0.00 H new ATOM 0 HG2 GLU A 30 103.851 -15.833 2.435 1.00 0.00 H new ATOM 0 HG3 GLU A 30 104.038 -17.575 2.446 1.00 0.00 H new ATOM 505 N LYS A 31 102.403 -15.644 0.576 1.00 0.00 N ATOM 506 CA LYS A 31 101.002 -16.082 0.322 1.00 0.00 C ATOM 507 C LYS A 31 100.173 -14.896 -0.179 1.00 0.00 C ATOM 508 O LYS A 31 99.005 -15.031 -0.487 1.00 0.00 O ATOM 509 CB LYS A 31 100.396 -16.619 1.619 1.00 0.00 C ATOM 510 CG LYS A 31 100.590 -18.135 1.679 1.00 0.00 C ATOM 511 CD LYS A 31 100.975 -18.542 3.102 1.00 0.00 C ATOM 512 CE LYS A 31 99.707 -18.735 3.937 1.00 0.00 C ATOM 513 NZ LYS A 31 99.335 -17.443 4.581 1.00 0.00 N ATOM 0 H LYS A 31 102.518 -14.985 1.346 1.00 0.00 H new ATOM 0 HA LYS A 31 100.999 -16.867 -0.435 1.00 0.00 H new ATOM 0 HB2 LYS A 31 100.871 -16.146 2.479 1.00 0.00 H new ATOM 0 HB3 LYS A 31 99.335 -16.375 1.666 1.00 0.00 H new ATOM 0 HG2 LYS A 31 99.673 -18.642 1.379 1.00 0.00 H new ATOM 0 HG3 LYS A 31 101.367 -18.441 0.979 1.00 0.00 H new ATOM 0 HD2 LYS A 31 101.555 -19.464 3.084 1.00 0.00 H new ATOM 0 HD3 LYS A 31 101.607 -17.777 3.552 1.00 0.00 H new ATOM 0 HE2 LYS A 31 98.892 -19.086 3.304 1.00 0.00 H new ATOM 0 HE3 LYS A 31 99.872 -19.498 4.697 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 99.220 -17.586 5.605 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 100.084 -16.742 4.411 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 98.441 -17.098 4.177 1.00 0.00 H new ATOM 527 N LYS A 32 100.772 -13.737 -0.273 1.00 0.00 N ATOM 528 CA LYS A 32 100.029 -12.541 -0.768 1.00 0.00 C ATOM 529 C LYS A 32 99.162 -11.940 0.345 1.00 0.00 C ATOM 530 O LYS A 32 98.039 -11.540 0.111 1.00 0.00 O ATOM 531 CB LYS A 32 99.135 -12.942 -1.945 1.00 0.00 C ATOM 532 CG LYS A 32 99.113 -11.814 -2.981 1.00 0.00 C ATOM 533 CD LYS A 32 100.432 -11.803 -3.757 1.00 0.00 C ATOM 534 CE LYS A 32 100.711 -13.202 -4.310 1.00 0.00 C ATOM 535 NZ LYS A 32 101.123 -13.101 -5.739 1.00 0.00 N ATOM 0 H LYS A 32 101.747 -13.567 -0.027 1.00 0.00 H new ATOM 0 HA LYS A 32 100.754 -11.794 -1.090 1.00 0.00 H new ATOM 0 HB2 LYS A 32 99.506 -13.860 -2.400 1.00 0.00 H new ATOM 0 HB3 LYS A 32 98.124 -13.146 -1.594 1.00 0.00 H new ATOM 0 HG2 LYS A 32 98.277 -11.953 -3.667 1.00 0.00 H new ATOM 0 HG3 LYS A 32 98.963 -10.855 -2.486 1.00 0.00 H new ATOM 0 HD2 LYS A 32 100.380 -11.082 -4.573 1.00 0.00 H new ATOM 0 HD3 LYS A 32 101.247 -11.489 -3.105 1.00 0.00 H new ATOM 0 HE2 LYS A 32 101.496 -13.684 -3.728 1.00 0.00 H new ATOM 0 HE3 LYS A 32 99.820 -13.824 -4.221 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 101.612 -13.974 -6.022 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 100.281 -12.968 -6.335 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 101.764 -12.291 -5.859 1.00 0.00 H new ATOM 549 N ILE A 33 99.666 -11.849 1.547 1.00 0.00 N ATOM 550 CA ILE A 33 98.844 -11.243 2.640 1.00 0.00 C ATOM 551 C ILE A 33 99.360 -9.843 2.940 1.00 0.00 C ATOM 552 O ILE A 33 100.508 -9.661 3.292 1.00 0.00 O ATOM 553 CB ILE A 33 98.935 -12.071 3.914 1.00 0.00 C ATOM 554 CG1 ILE A 33 98.413 -13.485 3.646 1.00 0.00 C ATOM 555 CG2 ILE A 33 98.082 -11.395 4.991 1.00 0.00 C ATOM 556 CD1 ILE A 33 99.506 -14.308 2.964 1.00 0.00 C ATOM 0 H ILE A 33 100.598 -12.163 1.819 1.00 0.00 H new ATOM 0 HA ILE A 33 97.806 -11.211 2.308 1.00 0.00 H new ATOM 0 HB ILE A 33 99.971 -12.138 4.248 1.00 0.00 H new ATOM 0 HG12 ILE A 33 98.116 -13.959 4.582 1.00 0.00 H new ATOM 0 HG13 ILE A 33 97.526 -13.444 3.014 1.00 0.00 H new ATOM 0 HG21 ILE A 33 98.134 -11.974 5.913 1.00 0.00 H new ATOM 0 HG22 ILE A 33 98.457 -10.388 5.173 1.00 0.00 H new ATOM 0 HG23 ILE A 33 97.047 -11.341 4.654 1.00 0.00 H new ATOM 0 HD11 ILE A 33 99.137 -15.315 2.772 1.00 0.00 H new ATOM 0 HD12 ILE A 33 99.781 -13.837 2.021 1.00 0.00 H new ATOM 0 HD13 ILE A 33 100.381 -14.360 3.612 1.00 0.00 H new ATOM 568 N PHE A 34 98.531 -8.847 2.813 1.00 0.00 N ATOM 569 CA PHE A 34 99.013 -7.472 3.095 1.00 0.00 C ATOM 570 C PHE A 34 98.107 -6.780 4.117 1.00 0.00 C ATOM 571 O PHE A 34 96.919 -6.619 3.913 1.00 0.00 O ATOM 572 CB PHE A 34 99.052 -6.667 1.790 1.00 0.00 C ATOM 573 CG PHE A 34 97.647 -6.361 1.312 1.00 0.00 C ATOM 574 CD1 PHE A 34 96.814 -7.391 0.852 1.00 0.00 C ATOM 575 CD2 PHE A 34 97.181 -5.040 1.321 1.00 0.00 C ATOM 576 CE1 PHE A 34 95.520 -7.097 0.405 1.00 0.00 C ATOM 577 CE2 PHE A 34 95.888 -4.749 0.873 1.00 0.00 C ATOM 578 CZ PHE A 34 95.057 -5.777 0.415 1.00 0.00 C ATOM 0 H PHE A 34 97.554 -8.924 2.530 1.00 0.00 H new ATOM 0 HA PHE A 34 100.017 -7.529 3.516 1.00 0.00 H new ATOM 0 HB2 PHE A 34 99.600 -5.738 1.946 1.00 0.00 H new ATOM 0 HB3 PHE A 34 99.588 -7.229 1.025 1.00 0.00 H new ATOM 0 HD1 PHE A 34 97.170 -8.410 0.842 1.00 0.00 H new ATOM 0 HD2 PHE A 34 97.821 -4.245 1.674 1.00 0.00 H new ATOM 0 HE1 PHE A 34 94.878 -7.891 0.052 1.00 0.00 H new ATOM 0 HE2 PHE A 34 95.531 -3.730 0.881 1.00 0.00 H new ATOM 0 HZ PHE A 34 94.059 -5.552 0.069 1.00 0.00 H new ATOM 588 N GLN A 35 98.677 -6.362 5.219 1.00 0.00 N ATOM 589 CA GLN A 35 97.881 -5.668 6.267 1.00 0.00 C ATOM 590 C GLN A 35 97.998 -4.160 6.065 1.00 0.00 C ATOM 591 O GLN A 35 99.081 -3.622 5.962 1.00 0.00 O ATOM 592 CB GLN A 35 98.427 -6.034 7.649 1.00 0.00 C ATOM 593 CG GLN A 35 97.601 -5.330 8.727 1.00 0.00 C ATOM 594 CD GLN A 35 98.290 -5.482 10.084 1.00 0.00 C ATOM 595 OE1 GLN A 35 99.269 -4.679 10.400 1.00 0.00 O flip ATOM 596 NE2 GLN A 35 97.932 -6.340 10.867 1.00 0.00 N flip ATOM 0 H GLN A 35 99.667 -6.474 5.436 1.00 0.00 H new ATOM 0 HA GLN A 35 96.837 -5.973 6.196 1.00 0.00 H new ATOM 0 HB2 GLN A 35 98.388 -7.114 7.793 1.00 0.00 H new ATOM 0 HB3 GLN A 35 99.474 -5.740 7.728 1.00 0.00 H new ATOM 0 HG2 GLN A 35 97.489 -4.274 8.481 1.00 0.00 H new ATOM 0 HG3 GLN A 35 96.599 -5.756 8.767 1.00 0.00 H new ATOM 0 HE21 GLN A 35 97.167 -6.968 10.621 1.00 0.00 H new ATOM 0 HE22 GLN A 35 98.397 -6.432 11.770 1.00 0.00 H new ATOM 605 N ILE A 36 96.893 -3.472 6.002 1.00 0.00 N ATOM 606 CA ILE A 36 96.951 -1.997 5.803 1.00 0.00 C ATOM 607 C ILE A 36 96.607 -1.308 7.131 1.00 0.00 C ATOM 608 O ILE A 36 95.868 -1.856 7.929 1.00 0.00 O ATOM 609 CB ILE A 36 95.930 -1.612 4.717 1.00 0.00 C ATOM 610 CG1 ILE A 36 96.504 -1.940 3.341 1.00 0.00 C ATOM 611 CG2 ILE A 36 95.601 -0.117 4.767 1.00 0.00 C ATOM 612 CD1 ILE A 36 95.376 -1.911 2.312 1.00 0.00 C ATOM 0 H ILE A 36 95.955 -3.865 6.079 1.00 0.00 H new ATOM 0 HA ILE A 36 97.946 -1.684 5.488 1.00 0.00 H new ATOM 0 HB ILE A 36 95.016 -2.178 4.898 1.00 0.00 H new ATOM 0 HG12 ILE A 36 97.276 -1.219 3.074 1.00 0.00 H new ATOM 0 HG13 ILE A 36 96.976 -2.922 3.354 1.00 0.00 H new ATOM 0 HG21 ILE A 36 94.878 0.123 3.988 1.00 0.00 H new ATOM 0 HG22 ILE A 36 95.180 0.131 5.741 1.00 0.00 H new ATOM 0 HG23 ILE A 36 96.511 0.461 4.607 1.00 0.00 H new ATOM 0 HD11 ILE A 36 95.777 -2.144 1.326 1.00 0.00 H new ATOM 0 HD12 ILE A 36 94.620 -2.649 2.580 1.00 0.00 H new ATOM 0 HD13 ILE A 36 94.925 -0.919 2.295 1.00 0.00 H new ATOM 624 N PRO A 37 97.160 -0.131 7.333 1.00 0.00 N ATOM 625 CA PRO A 37 96.928 0.665 8.553 1.00 0.00 C ATOM 626 C PRO A 37 95.621 1.459 8.455 1.00 0.00 C ATOM 627 O PRO A 37 94.874 1.547 9.407 1.00 0.00 O ATOM 628 CB PRO A 37 98.113 1.615 8.593 1.00 0.00 C ATOM 629 CG PRO A 37 98.641 1.722 7.141 1.00 0.00 C ATOM 630 CD PRO A 37 98.088 0.504 6.376 1.00 0.00 C ATOM 0 HA PRO A 37 96.841 0.043 9.444 1.00 0.00 H new ATOM 0 HB2 PRO A 37 97.813 2.593 8.970 1.00 0.00 H new ATOM 0 HB3 PRO A 37 98.888 1.240 9.261 1.00 0.00 H new ATOM 0 HG2 PRO A 37 98.312 2.652 6.677 1.00 0.00 H new ATOM 0 HG3 PRO A 37 99.731 1.726 7.125 1.00 0.00 H new ATOM 0 HD2 PRO A 37 97.574 0.806 5.463 1.00 0.00 H new ATOM 0 HD3 PRO A 37 98.886 -0.178 6.082 1.00 0.00 H new ATOM 638 N TRP A 38 95.329 2.023 7.310 1.00 0.00 N ATOM 639 CA TRP A 38 94.054 2.786 7.163 1.00 0.00 C ATOM 640 C TRP A 38 94.114 4.072 7.988 1.00 0.00 C ATOM 641 O TRP A 38 93.221 4.377 8.754 1.00 0.00 O ATOM 642 CB TRP A 38 92.910 1.895 7.640 1.00 0.00 C ATOM 643 CG TRP A 38 93.088 0.577 6.974 1.00 0.00 C ATOM 644 CD1 TRP A 38 93.857 -0.435 7.427 1.00 0.00 C ATOM 645 CD2 TRP A 38 92.528 0.135 5.716 1.00 0.00 C ATOM 646 NE1 TRP A 38 93.809 -1.472 6.514 1.00 0.00 N ATOM 647 CE2 TRP A 38 92.993 -1.167 5.444 1.00 0.00 C ATOM 648 CE3 TRP A 38 91.666 0.738 4.798 1.00 0.00 C ATOM 649 CZ2 TRP A 38 92.616 -1.849 4.292 1.00 0.00 C ATOM 650 CZ3 TRP A 38 91.280 0.063 3.639 1.00 0.00 C ATOM 651 CH2 TRP A 38 91.755 -1.231 3.382 1.00 0.00 C ATOM 0 H TRP A 38 95.915 1.988 6.476 1.00 0.00 H new ATOM 0 HA TRP A 38 93.896 3.064 6.121 1.00 0.00 H new ATOM 0 HB2 TRP A 38 92.930 1.786 8.724 1.00 0.00 H new ATOM 0 HB3 TRP A 38 91.946 2.332 7.381 1.00 0.00 H new ATOM 0 HD1 TRP A 38 94.417 -0.435 8.350 1.00 0.00 H new ATOM 0 HE1 TRP A 38 94.314 -2.352 6.618 1.00 0.00 H new ATOM 0 HE3 TRP A 38 91.295 1.735 4.986 1.00 0.00 H new ATOM 0 HZ2 TRP A 38 92.985 -2.846 4.103 1.00 0.00 H new ATOM 0 HZ3 TRP A 38 90.612 0.540 2.937 1.00 0.00 H new ATOM 0 HH2 TRP A 38 91.456 -1.749 2.483 1.00 0.00 H new ATOM 865 N ALA A 52 98.210 9.439 3.521 1.00 0.00 N ATOM 866 CA ALA A 52 97.753 10.159 2.298 1.00 0.00 C ATOM 867 C ALA A 52 98.803 10.219 1.148 1.00 0.00 C ATOM 868 O ALA A 52 98.559 10.928 0.192 1.00 0.00 O ATOM 869 CB ALA A 52 97.360 11.583 2.685 1.00 0.00 C ATOM 0 HA ALA A 52 96.910 9.590 1.906 1.00 0.00 H new ATOM 0 HB1 ALA A 52 97.024 12.121 1.799 1.00 0.00 H new ATOM 0 HB2 ALA A 52 96.554 11.551 3.418 1.00 0.00 H new ATOM 0 HB3 ALA A 52 98.222 12.094 3.115 1.00 0.00 H new ATOM 875 N PRO A 53 99.929 9.518 1.214 1.00 0.00 N ATOM 876 CA PRO A 53 100.915 9.584 0.120 1.00 0.00 C ATOM 877 C PRO A 53 100.436 8.725 -1.050 1.00 0.00 C ATOM 878 O PRO A 53 100.735 8.989 -2.198 1.00 0.00 O ATOM 879 CB PRO A 53 102.202 9.039 0.745 1.00 0.00 C ATOM 880 CG PRO A 53 101.770 8.187 1.958 1.00 0.00 C ATOM 881 CD PRO A 53 100.334 8.616 2.314 1.00 0.00 C ATOM 0 HA PRO A 53 101.062 10.587 -0.281 1.00 0.00 H new ATOM 0 HB2 PRO A 53 102.758 8.437 0.026 1.00 0.00 H new ATOM 0 HB3 PRO A 53 102.858 9.852 1.055 1.00 0.00 H new ATOM 0 HG2 PRO A 53 101.808 7.125 1.717 1.00 0.00 H new ATOM 0 HG3 PRO A 53 102.442 8.347 2.802 1.00 0.00 H new ATOM 0 HD2 PRO A 53 99.669 7.755 2.385 1.00 0.00 H new ATOM 0 HD3 PRO A 53 100.300 9.125 3.277 1.00 0.00 H new ATOM 889 N LEU A 54 99.661 7.716 -0.764 1.00 0.00 N ATOM 890 CA LEU A 54 99.117 6.853 -1.848 1.00 0.00 C ATOM 891 C LEU A 54 97.739 7.393 -2.175 1.00 0.00 C ATOM 892 O LEU A 54 97.442 7.806 -3.278 1.00 0.00 O ATOM 893 CB LEU A 54 98.940 5.415 -1.351 1.00 0.00 C ATOM 894 CG LEU A 54 100.279 4.744 -1.022 1.00 0.00 C ATOM 895 CD1 LEU A 54 101.349 5.777 -0.661 1.00 0.00 C ATOM 896 CD2 LEU A 54 100.057 3.815 0.172 1.00 0.00 C ATOM 0 H LEU A 54 99.380 7.451 0.180 1.00 0.00 H new ATOM 0 HA LEU A 54 99.791 6.856 -2.704 1.00 0.00 H new ATOM 0 HB2 LEU A 54 98.308 5.415 -0.463 1.00 0.00 H new ATOM 0 HB3 LEU A 54 98.421 4.831 -2.111 1.00 0.00 H new ATOM 0 HG LEU A 54 100.627 4.194 -1.896 1.00 0.00 H new ATOM 0 HD11 LEU A 54 102.285 5.267 -0.434 1.00 0.00 H new ATOM 0 HD12 LEU A 54 101.500 6.454 -1.502 1.00 0.00 H new ATOM 0 HD13 LEU A 54 101.025 6.347 0.210 1.00 0.00 H new ATOM 0 HD21 LEU A 54 100.995 3.323 0.429 1.00 0.00 H new ATOM 0 HD22 LEU A 54 99.706 4.396 1.025 1.00 0.00 H new ATOM 0 HD23 LEU A 54 99.311 3.063 -0.086 1.00 0.00 H new ATOM 908 N PHE A 55 96.909 7.409 -1.177 1.00 0.00 N ATOM 909 CA PHE A 55 95.533 7.934 -1.321 1.00 0.00 C ATOM 910 C PHE A 55 95.548 9.147 -2.260 1.00 0.00 C ATOM 911 O PHE A 55 94.588 9.422 -2.950 1.00 0.00 O ATOM 912 CB PHE A 55 95.073 8.364 0.067 1.00 0.00 C ATOM 913 CG PHE A 55 94.100 7.359 0.625 1.00 0.00 C ATOM 914 CD1 PHE A 55 92.726 7.499 0.393 1.00 0.00 C ATOM 915 CD2 PHE A 55 94.577 6.287 1.384 1.00 0.00 C ATOM 916 CE1 PHE A 55 91.832 6.562 0.923 1.00 0.00 C ATOM 917 CE2 PHE A 55 93.684 5.351 1.913 1.00 0.00 C ATOM 918 CZ PHE A 55 92.311 5.487 1.683 1.00 0.00 C ATOM 0 H PHE A 55 97.135 7.070 -0.242 1.00 0.00 H new ATOM 0 HA PHE A 55 94.864 7.181 -1.736 1.00 0.00 H new ATOM 0 HB2 PHE A 55 95.933 8.457 0.731 1.00 0.00 H new ATOM 0 HB3 PHE A 55 94.603 9.346 0.015 1.00 0.00 H new ATOM 0 HD1 PHE A 55 92.357 8.328 -0.193 1.00 0.00 H new ATOM 0 HD2 PHE A 55 95.637 6.182 1.562 1.00 0.00 H new ATOM 0 HE1 PHE A 55 90.772 6.668 0.746 1.00 0.00 H new ATOM 0 HE2 PHE A 55 94.054 4.523 2.499 1.00 0.00 H new ATOM 0 HZ PHE A 55 91.621 4.764 2.091 1.00 0.00 H new ATOM 928 N ARG A 56 96.637 9.869 -2.286 1.00 0.00 N ATOM 929 CA ARG A 56 96.730 11.061 -3.175 1.00 0.00 C ATOM 930 C ARG A 56 96.911 10.607 -4.629 1.00 0.00 C ATOM 931 O ARG A 56 96.193 11.032 -5.513 1.00 0.00 O ATOM 932 CB ARG A 56 97.927 11.914 -2.748 1.00 0.00 C ATOM 933 CG ARG A 56 97.448 13.324 -2.399 1.00 0.00 C ATOM 934 CD ARG A 56 98.243 14.347 -3.210 1.00 0.00 C ATOM 935 NE ARG A 56 98.739 15.423 -2.304 1.00 0.00 N ATOM 936 CZ ARG A 56 99.726 16.195 -2.678 1.00 0.00 C ATOM 937 NH1 ARG A 56 100.283 16.027 -3.848 1.00 0.00 N ATOM 938 NH2 ARG A 56 100.156 17.134 -1.883 1.00 0.00 N ATOM 0 H ARG A 56 97.469 9.682 -1.727 1.00 0.00 H new ATOM 0 HA ARG A 56 95.816 11.649 -3.096 1.00 0.00 H new ATOM 0 HB2 ARG A 56 98.421 11.462 -1.888 1.00 0.00 H new ATOM 0 HB3 ARG A 56 98.662 11.956 -3.551 1.00 0.00 H new ATOM 0 HG2 ARG A 56 96.384 13.422 -2.613 1.00 0.00 H new ATOM 0 HG3 ARG A 56 97.577 13.510 -1.333 1.00 0.00 H new ATOM 0 HD2 ARG A 56 99.082 13.860 -3.707 1.00 0.00 H new ATOM 0 HD3 ARG A 56 97.615 14.775 -3.991 1.00 0.00 H new ATOM 0 HE ARG A 56 98.307 15.557 -1.390 1.00 0.00 H new ATOM 0 HH11 ARG A 56 99.948 15.293 -4.472 1.00 0.00 H new ATOM 0 HH12 ARG A 56 101.053 16.630 -4.138 1.00 0.00 H new ATOM 0 HH21 ARG A 56 99.723 17.267 -0.969 1.00 0.00 H new ATOM 0 HH22 ARG A 56 100.926 17.736 -2.175 1.00 0.00 H new ATOM 952 N ASN A 57 97.863 9.746 -4.886 1.00 0.00 N ATOM 953 CA ASN A 57 98.084 9.264 -6.283 1.00 0.00 C ATOM 954 C ASN A 57 96.727 8.968 -6.942 1.00 0.00 C ATOM 955 O ASN A 57 96.580 9.026 -8.146 1.00 0.00 O ATOM 956 CB ASN A 57 98.958 7.999 -6.258 1.00 0.00 C ATOM 957 CG ASN A 57 98.091 6.759 -6.041 1.00 0.00 C ATOM 958 OD1 ASN A 57 97.376 6.339 -6.929 1.00 0.00 O ATOM 959 ND2 ASN A 57 98.135 6.149 -4.894 1.00 0.00 N ATOM 0 H ASN A 57 98.497 9.356 -4.188 1.00 0.00 H new ATOM 0 HA ASN A 57 98.597 10.032 -6.862 1.00 0.00 H new ATOM 0 HB2 ASN A 57 99.506 7.909 -7.196 1.00 0.00 H new ATOM 0 HB3 ASN A 57 99.699 8.077 -5.463 1.00 0.00 H new ATOM 0 HD21 ASN A 57 97.568 5.315 -4.738 1.00 0.00 H new ATOM 0 HD22 ASN A 57 98.736 6.504 -4.150 1.00 0.00 H new ATOM 966 N TRP A 58 95.735 8.648 -6.153 1.00 0.00 N ATOM 967 CA TRP A 58 94.382 8.343 -6.710 1.00 0.00 C ATOM 968 C TRP A 58 94.043 9.292 -7.868 1.00 0.00 C ATOM 969 O TRP A 58 94.017 8.906 -9.021 1.00 0.00 O ATOM 970 CB TRP A 58 93.336 8.538 -5.612 1.00 0.00 C ATOM 971 CG TRP A 58 92.925 7.222 -5.035 1.00 0.00 C ATOM 972 CD1 TRP A 58 91.709 6.965 -4.502 1.00 0.00 C ATOM 973 CD2 TRP A 58 93.692 5.988 -4.913 1.00 0.00 C ATOM 974 NE1 TRP A 58 91.681 5.659 -4.055 1.00 0.00 N ATOM 975 CE2 TRP A 58 92.879 5.014 -4.287 1.00 0.00 C ATOM 976 CE3 TRP A 58 95.000 5.621 -5.281 1.00 0.00 C ATOM 977 CZ2 TRP A 58 93.345 3.726 -4.031 1.00 0.00 C ATOM 978 CZ3 TRP A 58 95.471 4.321 -5.026 1.00 0.00 C ATOM 979 CH2 TRP A 58 94.645 3.378 -4.402 1.00 0.00 C ATOM 0 H TRP A 58 95.804 8.584 -5.137 1.00 0.00 H new ATOM 0 HA TRP A 58 94.382 7.316 -7.074 1.00 0.00 H new ATOM 0 HB2 TRP A 58 93.741 9.175 -4.826 1.00 0.00 H new ATOM 0 HB3 TRP A 58 92.464 9.050 -6.020 1.00 0.00 H new ATOM 0 HD1 TRP A 58 90.892 7.668 -4.437 1.00 0.00 H new ATOM 0 HE1 TRP A 58 90.874 5.224 -3.608 1.00 0.00 H new ATOM 0 HE3 TRP A 58 95.645 6.342 -5.762 1.00 0.00 H new ATOM 0 HZ2 TRP A 58 92.705 3.002 -3.549 1.00 0.00 H new ATOM 0 HZ3 TRP A 58 96.476 4.048 -5.313 1.00 0.00 H new ATOM 0 HH2 TRP A 58 95.014 2.382 -4.208 1.00 0.00 H new ATOM 990 N ALA A 59 93.746 10.523 -7.554 1.00 0.00 N ATOM 991 CA ALA A 59 93.361 11.514 -8.603 1.00 0.00 C ATOM 992 C ALA A 59 94.347 11.515 -9.777 1.00 0.00 C ATOM 993 O ALA A 59 93.963 11.745 -10.907 1.00 0.00 O ATOM 994 CB ALA A 59 93.325 12.911 -7.981 1.00 0.00 C ATOM 0 H ALA A 59 93.753 10.891 -6.603 1.00 0.00 H new ATOM 0 HA ALA A 59 92.380 11.234 -8.987 1.00 0.00 H new ATOM 0 HB1 ALA A 59 93.045 13.640 -8.741 1.00 0.00 H new ATOM 0 HB2 ALA A 59 92.595 12.930 -7.172 1.00 0.00 H new ATOM 0 HB3 ALA A 59 94.310 13.159 -7.586 1.00 0.00 H new ATOM 1000 N ILE A 60 95.608 11.289 -9.538 1.00 0.00 N ATOM 1001 CA ILE A 60 96.579 11.317 -10.673 1.00 0.00 C ATOM 1002 C ILE A 60 96.791 9.908 -11.237 1.00 0.00 C ATOM 1003 O ILE A 60 96.302 9.583 -12.301 1.00 0.00 O ATOM 1004 CB ILE A 60 97.918 11.894 -10.203 1.00 0.00 C ATOM 1005 CG1 ILE A 60 97.680 12.904 -9.077 1.00 0.00 C ATOM 1006 CG2 ILE A 60 98.597 12.603 -11.376 1.00 0.00 C ATOM 1007 CD1 ILE A 60 96.807 14.048 -9.597 1.00 0.00 C ATOM 0 H ILE A 60 96.007 11.089 -8.621 1.00 0.00 H new ATOM 0 HA ILE A 60 96.170 11.950 -11.461 1.00 0.00 H new ATOM 0 HB ILE A 60 98.552 11.086 -9.837 1.00 0.00 H new ATOM 0 HG12 ILE A 60 97.194 12.416 -8.232 1.00 0.00 H new ATOM 0 HG13 ILE A 60 98.632 13.293 -8.716 1.00 0.00 H new ATOM 0 HG21 ILE A 60 99.551 13.016 -11.048 1.00 0.00 H new ATOM 0 HG22 ILE A 60 98.768 11.890 -12.182 1.00 0.00 H new ATOM 0 HG23 ILE A 60 97.956 13.409 -11.734 1.00 0.00 H new ATOM 0 HD11 ILE A 60 96.636 14.768 -8.797 1.00 0.00 H new ATOM 0 HD12 ILE A 60 97.311 14.542 -10.428 1.00 0.00 H new ATOM 0 HD13 ILE A 60 95.851 13.650 -9.937 1.00 0.00 H new ATOM 1019 N HIS A 61 97.529 9.078 -10.546 1.00 0.00 N ATOM 1020 CA HIS A 61 97.788 7.697 -11.049 1.00 0.00 C ATOM 1021 C HIS A 61 96.526 7.125 -11.704 1.00 0.00 C ATOM 1022 O HIS A 61 96.432 7.027 -12.911 1.00 0.00 O ATOM 1023 CB HIS A 61 98.205 6.799 -9.882 1.00 0.00 C ATOM 1024 CG HIS A 61 98.346 5.383 -10.367 1.00 0.00 C ATOM 1025 ND1 HIS A 61 99.365 4.993 -11.222 1.00 0.00 N ATOM 1026 CD2 HIS A 61 97.606 4.251 -10.125 1.00 0.00 C ATOM 1027 CE1 HIS A 61 99.211 3.678 -11.463 1.00 0.00 C ATOM 1028 NE2 HIS A 61 98.155 3.176 -10.819 1.00 0.00 N ATOM 0 H HIS A 61 97.965 9.299 -9.651 1.00 0.00 H new ATOM 0 HA HIS A 61 98.587 7.735 -11.790 1.00 0.00 H new ATOM 0 HB2 HIS A 61 99.148 7.146 -9.461 1.00 0.00 H new ATOM 0 HB3 HIS A 61 97.462 6.850 -9.086 1.00 0.00 H new ATOM 0 HD2 HIS A 61 96.732 4.202 -9.493 1.00 0.00 H new ATOM 0 HE1 HIS A 61 99.863 3.099 -12.100 1.00 0.00 H new ATOM 0 HE2 HIS A 61 97.822 2.212 -10.832 1.00 0.00 H new ATOM 1036 N THR A 62 95.556 6.745 -10.919 1.00 0.00 N ATOM 1037 CA THR A 62 94.307 6.177 -11.500 1.00 0.00 C ATOM 1038 C THR A 62 93.844 7.048 -12.671 1.00 0.00 C ATOM 1039 O THR A 62 93.498 6.554 -13.725 1.00 0.00 O ATOM 1040 CB THR A 62 93.212 6.142 -10.432 1.00 0.00 C ATOM 1041 OG1 THR A 62 92.680 7.449 -10.259 1.00 0.00 O ATOM 1042 CG2 THR A 62 93.797 5.645 -9.110 1.00 0.00 C ATOM 0 H THR A 62 95.574 6.803 -9.901 1.00 0.00 H new ATOM 0 HA THR A 62 94.503 5.165 -11.853 1.00 0.00 H new ATOM 0 HB THR A 62 92.418 5.465 -10.748 1.00 0.00 H new ATOM 0 HG1 THR A 62 93.169 7.910 -9.546 1.00 0.00 H new ATOM 0 HG21 THR A 62 93.014 5.621 -8.352 1.00 0.00 H new ATOM 0 HG22 THR A 62 94.201 4.642 -9.245 1.00 0.00 H new ATOM 0 HG23 THR A 62 94.593 6.317 -8.789 1.00 0.00 H new ATOM 1050 N GLY A 63 93.830 8.340 -12.493 1.00 0.00 N ATOM 1051 CA GLY A 63 93.385 9.240 -13.595 1.00 0.00 C ATOM 1052 C GLY A 63 91.926 9.639 -13.368 1.00 0.00 C ATOM 1053 O GLY A 63 91.079 9.446 -14.220 1.00 0.00 O ATOM 0 H GLY A 63 94.107 8.812 -11.632 1.00 0.00 H new ATOM 0 HA2 GLY A 63 94.015 10.129 -13.630 1.00 0.00 H new ATOM 0 HA3 GLY A 63 93.490 8.736 -14.556 1.00 0.00 H new ATOM 1057 N LYS A 64 91.625 10.193 -12.227 1.00 0.00 N ATOM 1058 CA LYS A 64 90.221 10.605 -11.943 1.00 0.00 C ATOM 1059 C LYS A 64 90.203 12.071 -11.509 1.00 0.00 C ATOM 1060 O LYS A 64 89.432 12.468 -10.657 1.00 0.00 O ATOM 1061 CB LYS A 64 89.652 9.735 -10.820 1.00 0.00 C ATOM 1062 CG LYS A 64 89.369 8.329 -11.353 1.00 0.00 C ATOM 1063 CD LYS A 64 88.199 7.717 -10.579 1.00 0.00 C ATOM 1064 CE LYS A 64 88.298 6.192 -10.628 1.00 0.00 C ATOM 1065 NZ LYS A 64 86.965 5.619 -10.969 1.00 0.00 N ATOM 0 H LYS A 64 92.291 10.379 -11.477 1.00 0.00 H new ATOM 0 HA LYS A 64 89.615 10.481 -12.841 1.00 0.00 H new ATOM 0 HB2 LYS A 64 90.358 9.685 -9.991 1.00 0.00 H new ATOM 0 HB3 LYS A 64 88.735 10.179 -10.431 1.00 0.00 H new ATOM 0 HG2 LYS A 64 89.133 8.372 -12.416 1.00 0.00 H new ATOM 0 HG3 LYS A 64 90.255 7.703 -11.248 1.00 0.00 H new ATOM 0 HD2 LYS A 64 88.214 8.060 -9.545 1.00 0.00 H new ATOM 0 HD3 LYS A 64 87.253 8.045 -11.010 1.00 0.00 H new ATOM 0 HE2 LYS A 64 89.037 5.888 -11.370 1.00 0.00 H new ATOM 0 HE3 LYS A 64 88.636 5.808 -9.666 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 87.031 4.582 -11.003 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 86.272 5.898 -10.246 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 86.660 5.977 -11.897 1.00 0.00 H new ATOM 1079 N HIS A 65 91.048 12.880 -12.086 1.00 0.00 N ATOM 1080 CA HIS A 65 91.081 14.319 -11.703 1.00 0.00 C ATOM 1081 C HIS A 65 92.275 14.996 -12.382 1.00 0.00 C ATOM 1082 O HIS A 65 93.158 14.347 -12.906 1.00 0.00 O ATOM 1083 CB HIS A 65 91.213 14.436 -10.178 1.00 0.00 C ATOM 1084 CG HIS A 65 91.714 15.808 -9.805 1.00 0.00 C ATOM 1085 ND1 HIS A 65 90.862 16.890 -9.650 1.00 0.00 N ATOM 1086 CD2 HIS A 65 92.978 16.286 -9.563 1.00 0.00 C ATOM 1087 CE1 HIS A 65 91.618 17.957 -9.329 1.00 0.00 C ATOM 1088 NE2 HIS A 65 92.915 17.644 -9.262 1.00 0.00 N ATOM 0 H HIS A 65 91.717 12.607 -12.806 1.00 0.00 H new ATOM 0 HA HIS A 65 90.161 14.808 -12.023 1.00 0.00 H new ATOM 0 HB2 HIS A 65 90.248 14.252 -9.707 1.00 0.00 H new ATOM 0 HB3 HIS A 65 91.900 13.676 -9.805 1.00 0.00 H new ATOM 0 HD2 HIS A 65 93.883 15.698 -9.600 1.00 0.00 H new ATOM 0 HE1 HIS A 65 91.224 18.946 -9.148 1.00 0.00 H new ATOM 0 HE2 HIS A 65 93.692 18.266 -9.038 1.00 0.00 H new ATOM 1096 N GLN A 66 92.309 16.300 -12.369 1.00 0.00 N ATOM 1097 CA GLN A 66 93.443 17.024 -13.004 1.00 0.00 C ATOM 1098 C GLN A 66 93.667 18.352 -12.266 1.00 0.00 C ATOM 1099 O GLN A 66 92.798 19.201 -12.258 1.00 0.00 O ATOM 1100 CB GLN A 66 93.111 17.308 -14.471 1.00 0.00 C ATOM 1101 CG GLN A 66 94.315 16.945 -15.344 1.00 0.00 C ATOM 1102 CD GLN A 66 94.314 17.813 -16.603 1.00 0.00 C ATOM 1103 OE1 GLN A 66 94.932 18.858 -16.636 1.00 0.00 O ATOM 1104 NE2 GLN A 66 93.642 17.419 -17.652 1.00 0.00 N ATOM 0 H GLN A 66 91.598 16.896 -11.945 1.00 0.00 H new ATOM 0 HA GLN A 66 94.345 16.414 -12.949 1.00 0.00 H new ATOM 0 HB2 GLN A 66 92.239 16.730 -14.776 1.00 0.00 H new ATOM 0 HB3 GLN A 66 92.858 18.360 -14.601 1.00 0.00 H new ATOM 0 HG2 GLN A 66 95.240 17.095 -14.787 1.00 0.00 H new ATOM 0 HG3 GLN A 66 94.275 15.890 -15.617 1.00 0.00 H new ATOM 0 HE21 GLN A 66 93.123 16.541 -17.625 1.00 0.00 H new ATOM 0 HE22 GLN A 66 93.637 17.989 -18.498 1.00 0.00 H new ATOM 1113 N PRO A 67 94.823 18.493 -11.666 1.00 0.00 N ATOM 1114 CA PRO A 67 95.177 19.711 -10.917 1.00 0.00 C ATOM 1115 C PRO A 67 95.531 20.846 -11.882 1.00 0.00 C ATOM 1116 O PRO A 67 96.117 20.630 -12.925 1.00 0.00 O ATOM 1117 CB PRO A 67 96.392 19.286 -10.090 1.00 0.00 C ATOM 1118 CG PRO A 67 97.001 18.060 -10.809 1.00 0.00 C ATOM 1119 CD PRO A 67 95.880 17.463 -11.679 1.00 0.00 C ATOM 0 HA PRO A 67 94.363 20.088 -10.297 1.00 0.00 H new ATOM 0 HB2 PRO A 67 97.118 20.096 -10.021 1.00 0.00 H new ATOM 0 HB3 PRO A 67 96.099 19.033 -9.071 1.00 0.00 H new ATOM 0 HG2 PRO A 67 97.853 18.353 -11.422 1.00 0.00 H new ATOM 0 HG3 PRO A 67 97.364 17.328 -10.088 1.00 0.00 H new ATOM 0 HD2 PRO A 67 96.227 17.262 -12.692 1.00 0.00 H new ATOM 0 HD3 PRO A 67 95.520 16.518 -11.272 1.00 0.00 H new ATOM 1127 N GLY A 68 95.174 22.053 -11.543 1.00 0.00 N ATOM 1128 CA GLY A 68 95.479 23.203 -12.439 1.00 0.00 C ATOM 1129 C GLY A 68 94.220 23.577 -13.222 1.00 0.00 C ATOM 1130 O GLY A 68 93.984 24.729 -13.528 1.00 0.00 O ATOM 0 H GLY A 68 94.683 22.293 -10.682 1.00 0.00 H new ATOM 0 HA2 GLY A 68 95.824 24.055 -11.853 1.00 0.00 H new ATOM 0 HA3 GLY A 68 96.284 22.941 -13.125 1.00 0.00 H new ATOM 1134 N ILE A 69 93.407 22.609 -13.545 1.00 0.00 N ATOM 1135 CA ILE A 69 92.160 22.898 -14.302 1.00 0.00 C ATOM 1136 C ILE A 69 90.981 22.936 -13.327 1.00 0.00 C ATOM 1137 O ILE A 69 90.164 23.835 -13.352 1.00 0.00 O ATOM 1138 CB ILE A 69 91.942 21.798 -15.350 1.00 0.00 C ATOM 1139 CG1 ILE A 69 91.010 22.316 -16.445 1.00 0.00 C ATOM 1140 CG2 ILE A 69 91.325 20.556 -14.699 1.00 0.00 C ATOM 1141 CD1 ILE A 69 90.895 21.271 -17.555 1.00 0.00 C ATOM 0 H ILE A 69 93.555 21.626 -13.315 1.00 0.00 H new ATOM 0 HA ILE A 69 92.240 23.861 -14.806 1.00 0.00 H new ATOM 0 HB ILE A 69 92.905 21.527 -15.783 1.00 0.00 H new ATOM 0 HG12 ILE A 69 90.026 22.529 -16.028 1.00 0.00 H new ATOM 0 HG13 ILE A 69 91.394 23.252 -16.851 1.00 0.00 H new ATOM 0 HG21 ILE A 69 91.176 19.785 -15.455 1.00 0.00 H new ATOM 0 HG22 ILE A 69 91.994 20.181 -13.924 1.00 0.00 H new ATOM 0 HG23 ILE A 69 90.365 20.817 -14.254 1.00 0.00 H new ATOM 0 HD11 ILE A 69 90.230 21.641 -18.336 1.00 0.00 H new ATOM 0 HD12 ILE A 69 91.881 21.080 -17.979 1.00 0.00 H new ATOM 0 HD13 ILE A 69 90.492 20.346 -17.143 1.00 0.00 H new ATOM 1153 N ASP A 70 90.895 21.961 -12.468 1.00 0.00 N ATOM 1154 CA ASP A 70 89.779 21.925 -11.481 1.00 0.00 C ATOM 1155 C ASP A 70 90.355 21.844 -10.067 1.00 0.00 C ATOM 1156 O ASP A 70 91.440 21.339 -9.857 1.00 0.00 O ATOM 1157 CB ASP A 70 88.901 20.700 -11.747 1.00 0.00 C ATOM 1158 CG ASP A 70 87.723 21.097 -12.639 1.00 0.00 C ATOM 1159 OD1 ASP A 70 86.847 21.795 -12.155 1.00 0.00 O ATOM 1160 OD2 ASP A 70 87.719 20.698 -13.792 1.00 0.00 O ATOM 0 H ASP A 70 91.552 21.183 -12.406 1.00 0.00 H new ATOM 0 HA ASP A 70 89.177 22.829 -11.578 1.00 0.00 H new ATOM 0 HB2 ASP A 70 89.487 19.917 -12.229 1.00 0.00 H new ATOM 0 HB3 ASP A 70 88.535 20.291 -10.805 1.00 0.00 H new ATOM 1165 N LYS A 71 89.640 22.338 -9.095 1.00 0.00 N ATOM 1166 CA LYS A 71 90.149 22.289 -7.696 1.00 0.00 C ATOM 1167 C LYS A 71 90.332 20.829 -7.270 1.00 0.00 C ATOM 1168 O LYS A 71 89.640 19.954 -7.751 1.00 0.00 O ATOM 1169 CB LYS A 71 89.145 22.970 -6.764 1.00 0.00 C ATOM 1170 CG LYS A 71 87.871 22.127 -6.686 1.00 0.00 C ATOM 1171 CD LYS A 71 86.737 22.964 -6.086 1.00 0.00 C ATOM 1172 CE LYS A 71 86.308 24.037 -7.087 1.00 0.00 C ATOM 1173 NZ LYS A 71 85.665 23.391 -8.266 1.00 0.00 N ATOM 0 H LYS A 71 88.725 22.774 -9.209 1.00 0.00 H new ATOM 0 HA LYS A 71 91.107 22.807 -7.639 1.00 0.00 H new ATOM 0 HB2 LYS A 71 89.577 23.089 -5.770 1.00 0.00 H new ATOM 0 HB3 LYS A 71 88.911 23.969 -7.131 1.00 0.00 H new ATOM 0 HG2 LYS A 71 87.592 21.778 -7.680 1.00 0.00 H new ATOM 0 HG3 LYS A 71 88.046 21.241 -6.075 1.00 0.00 H new ATOM 0 HD2 LYS A 71 85.890 22.324 -5.838 1.00 0.00 H new ATOM 0 HD3 LYS A 71 87.067 23.430 -5.157 1.00 0.00 H new ATOM 0 HE2 LYS A 71 85.613 24.731 -6.616 1.00 0.00 H new ATOM 0 HE3 LYS A 71 87.173 24.619 -7.405 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 85.044 24.076 -8.741 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 86.399 23.071 -8.930 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 85.103 22.575 -7.951 1.00 0.00 H new ATOM 1187 N PRO A 72 91.264 20.613 -6.377 1.00 0.00 N ATOM 1188 CA PRO A 72 91.572 19.269 -5.858 1.00 0.00 C ATOM 1189 C PRO A 72 90.548 18.854 -4.796 1.00 0.00 C ATOM 1190 O PRO A 72 90.352 19.536 -3.809 1.00 0.00 O ATOM 1191 CB PRO A 72 92.960 19.437 -5.235 1.00 0.00 C ATOM 1192 CG PRO A 72 93.120 20.945 -4.923 1.00 0.00 C ATOM 1193 CD PRO A 72 92.099 21.689 -5.803 1.00 0.00 C ATOM 0 HA PRO A 72 91.542 18.497 -6.627 1.00 0.00 H new ATOM 0 HB2 PRO A 72 93.053 18.841 -4.327 1.00 0.00 H new ATOM 0 HB3 PRO A 72 93.737 19.098 -5.920 1.00 0.00 H new ATOM 0 HG2 PRO A 72 92.938 21.143 -3.867 1.00 0.00 H new ATOM 0 HG3 PRO A 72 94.134 21.280 -5.140 1.00 0.00 H new ATOM 0 HD2 PRO A 72 91.502 22.387 -5.217 1.00 0.00 H new ATOM 0 HD3 PRO A 72 92.593 22.269 -6.583 1.00 0.00 H new ATOM 1201 N ASP A 73 89.899 17.740 -4.989 1.00 0.00 N ATOM 1202 CA ASP A 73 88.895 17.280 -3.989 1.00 0.00 C ATOM 1203 C ASP A 73 89.347 15.939 -3.402 1.00 0.00 C ATOM 1204 O ASP A 73 89.062 14.895 -3.956 1.00 0.00 O ATOM 1205 CB ASP A 73 87.536 17.108 -4.673 1.00 0.00 C ATOM 1206 CG ASP A 73 86.525 18.068 -4.044 1.00 0.00 C ATOM 1207 OD1 ASP A 73 86.116 17.817 -2.924 1.00 0.00 O ATOM 1208 OD2 ASP A 73 86.178 19.040 -4.696 1.00 0.00 O ATOM 0 H ASP A 73 90.020 17.128 -5.796 1.00 0.00 H new ATOM 0 HA ASP A 73 88.807 18.017 -3.191 1.00 0.00 H new ATOM 0 HB2 ASP A 73 87.626 17.306 -5.741 1.00 0.00 H new ATOM 0 HB3 ASP A 73 87.191 16.079 -4.568 1.00 0.00 H new ATOM 1213 N PRO A 74 90.046 16.011 -2.296 1.00 0.00 N ATOM 1214 CA PRO A 74 90.565 14.817 -1.605 1.00 0.00 C ATOM 1215 C PRO A 74 89.448 14.112 -0.828 1.00 0.00 C ATOM 1216 O PRO A 74 89.621 13.016 -0.334 1.00 0.00 O ATOM 1217 CB PRO A 74 91.624 15.383 -0.653 1.00 0.00 C ATOM 1218 CG PRO A 74 91.269 16.875 -0.444 1.00 0.00 C ATOM 1219 CD PRO A 74 90.382 17.288 -1.633 1.00 0.00 C ATOM 0 HA PRO A 74 90.969 14.071 -2.289 1.00 0.00 H new ATOM 0 HB2 PRO A 74 91.620 14.846 0.296 1.00 0.00 H new ATOM 0 HB3 PRO A 74 92.623 15.277 -1.076 1.00 0.00 H new ATOM 0 HG2 PRO A 74 90.743 17.019 0.500 1.00 0.00 H new ATOM 0 HG3 PRO A 74 92.171 17.486 -0.403 1.00 0.00 H new ATOM 0 HD2 PRO A 74 89.486 17.811 -1.299 1.00 0.00 H new ATOM 0 HD3 PRO A 74 90.910 17.961 -2.309 1.00 0.00 H new ATOM 1227 N LYS A 75 88.302 14.728 -0.719 1.00 0.00 N ATOM 1228 CA LYS A 75 87.183 14.082 0.022 1.00 0.00 C ATOM 1229 C LYS A 75 86.701 12.858 -0.758 1.00 0.00 C ATOM 1230 O LYS A 75 86.350 11.845 -0.186 1.00 0.00 O ATOM 1231 CB LYS A 75 86.029 15.075 0.180 1.00 0.00 C ATOM 1232 CG LYS A 75 84.805 14.348 0.742 1.00 0.00 C ATOM 1233 CD LYS A 75 83.859 15.361 1.390 1.00 0.00 C ATOM 1234 CE LYS A 75 82.848 14.625 2.272 1.00 0.00 C ATOM 1235 NZ LYS A 75 83.351 14.580 3.674 1.00 0.00 N ATOM 0 H LYS A 75 88.093 15.647 -1.110 1.00 0.00 H new ATOM 0 HA LYS A 75 87.530 13.774 1.008 1.00 0.00 H new ATOM 0 HB2 LYS A 75 86.322 15.886 0.847 1.00 0.00 H new ATOM 0 HB3 LYS A 75 85.788 15.525 -0.783 1.00 0.00 H new ATOM 0 HG2 LYS A 75 84.290 13.812 -0.055 1.00 0.00 H new ATOM 0 HG3 LYS A 75 85.116 13.605 1.476 1.00 0.00 H new ATOM 0 HD2 LYS A 75 84.427 16.074 1.987 1.00 0.00 H new ATOM 0 HD3 LYS A 75 83.339 15.932 0.621 1.00 0.00 H new ATOM 0 HE2 LYS A 75 81.883 15.130 2.237 1.00 0.00 H new ATOM 0 HE3 LYS A 75 82.692 13.613 1.898 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 82.664 14.080 4.273 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 84.262 14.079 3.700 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 83.478 15.549 4.028 1.00 0.00 H new ATOM 1249 N THR A 76 86.683 12.941 -2.061 1.00 0.00 N ATOM 1250 CA THR A 76 86.226 11.779 -2.874 1.00 0.00 C ATOM 1251 C THR A 76 87.407 10.837 -3.120 1.00 0.00 C ATOM 1252 O THR A 76 87.247 9.637 -3.221 1.00 0.00 O ATOM 1253 CB THR A 76 85.684 12.277 -4.216 1.00 0.00 C ATOM 1254 OG1 THR A 76 85.644 13.696 -4.210 1.00 0.00 O ATOM 1255 CG2 THR A 76 84.275 11.725 -4.434 1.00 0.00 C ATOM 0 H THR A 76 86.965 13.762 -2.596 1.00 0.00 H new ATOM 0 HA THR A 76 85.439 11.247 -2.340 1.00 0.00 H new ATOM 0 HB THR A 76 86.334 11.935 -5.022 1.00 0.00 H new ATOM 0 HG1 THR A 76 85.299 14.017 -5.069 1.00 0.00 H new ATOM 0 HG21 THR A 76 83.889 12.080 -5.390 1.00 0.00 H new ATOM 0 HG22 THR A 76 84.308 10.635 -4.438 1.00 0.00 H new ATOM 0 HG23 THR A 76 83.622 12.066 -3.630 1.00 0.00 H new ATOM 1263 N TRP A 77 88.594 11.372 -3.218 1.00 0.00 N ATOM 1264 CA TRP A 77 89.783 10.508 -3.459 1.00 0.00 C ATOM 1265 C TRP A 77 89.889 9.461 -2.347 1.00 0.00 C ATOM 1266 O TRP A 77 90.486 8.419 -2.518 1.00 0.00 O ATOM 1267 CB TRP A 77 91.048 11.369 -3.465 1.00 0.00 C ATOM 1268 CG TRP A 77 90.877 12.502 -4.425 1.00 0.00 C ATOM 1269 CD1 TRP A 77 89.842 12.645 -5.284 1.00 0.00 C ATOM 1270 CD2 TRP A 77 91.748 13.650 -4.637 1.00 0.00 C ATOM 1271 NE1 TRP A 77 90.022 13.808 -6.012 1.00 0.00 N ATOM 1272 CE2 TRP A 77 91.183 14.463 -5.649 1.00 0.00 C ATOM 1273 CE3 TRP A 77 92.961 14.063 -4.056 1.00 0.00 C ATOM 1274 CZ2 TRP A 77 91.800 15.643 -6.068 1.00 0.00 C ATOM 1275 CZ3 TRP A 77 93.584 15.248 -4.476 1.00 0.00 C ATOM 1276 CH2 TRP A 77 93.005 16.037 -5.481 1.00 0.00 C ATOM 0 H TRP A 77 88.791 12.370 -3.141 1.00 0.00 H new ATOM 0 HA TRP A 77 89.677 10.008 -4.422 1.00 0.00 H new ATOM 0 HB2 TRP A 77 91.244 11.753 -2.464 1.00 0.00 H new ATOM 0 HB3 TRP A 77 91.910 10.765 -3.749 1.00 0.00 H new ATOM 0 HD1 TRP A 77 89.011 11.963 -5.385 1.00 0.00 H new ATOM 0 HE1 TRP A 77 89.377 14.141 -6.729 1.00 0.00 H new ATOM 0 HE3 TRP A 77 93.416 13.464 -3.281 1.00 0.00 H new ATOM 0 HZ2 TRP A 77 91.349 16.247 -6.841 1.00 0.00 H new ATOM 0 HZ3 TRP A 77 94.515 15.555 -4.023 1.00 0.00 H new ATOM 0 HH2 TRP A 77 93.490 16.948 -5.800 1.00 0.00 H new ATOM 1287 N LYS A 78 89.314 9.732 -1.208 1.00 0.00 N ATOM 1288 CA LYS A 78 89.387 8.749 -0.091 1.00 0.00 C ATOM 1289 C LYS A 78 88.209 7.780 -0.188 1.00 0.00 C ATOM 1290 O LYS A 78 88.332 6.607 0.104 1.00 0.00 O ATOM 1291 CB LYS A 78 89.331 9.491 1.248 1.00 0.00 C ATOM 1292 CG LYS A 78 90.740 9.944 1.639 1.00 0.00 C ATOM 1293 CD LYS A 78 90.926 9.787 3.150 1.00 0.00 C ATOM 1294 CE LYS A 78 91.030 8.302 3.501 1.00 0.00 C ATOM 1295 NZ LYS A 78 92.459 7.944 3.720 1.00 0.00 N ATOM 0 H LYS A 78 88.799 10.588 -1.003 1.00 0.00 H new ATOM 0 HA LYS A 78 90.322 8.192 -0.157 1.00 0.00 H new ATOM 0 HB2 LYS A 78 88.668 10.353 1.171 1.00 0.00 H new ATOM 0 HB3 LYS A 78 88.919 8.841 2.020 1.00 0.00 H new ATOM 0 HG2 LYS A 78 91.485 9.352 1.107 1.00 0.00 H new ATOM 0 HG3 LYS A 78 90.893 10.984 1.349 1.00 0.00 H new ATOM 0 HD2 LYS A 78 91.825 10.311 3.473 1.00 0.00 H new ATOM 0 HD3 LYS A 78 90.087 10.238 3.679 1.00 0.00 H new ATOM 0 HE2 LYS A 78 90.448 8.087 4.398 1.00 0.00 H new ATOM 0 HE3 LYS A 78 90.611 7.697 2.697 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 92.760 7.258 2.998 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 93.046 8.800 3.650 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 92.571 7.524 4.665 1.00 0.00 H new ATOM 1309 N ALA A 79 87.068 8.259 -0.599 1.00 0.00 N ATOM 1310 CA ALA A 79 85.883 7.365 -0.717 1.00 0.00 C ATOM 1311 C ALA A 79 86.114 6.363 -1.851 1.00 0.00 C ATOM 1312 O ALA A 79 85.501 5.315 -1.900 1.00 0.00 O ATOM 1313 CB ALA A 79 84.642 8.205 -1.025 1.00 0.00 C ATOM 0 H ALA A 79 86.905 9.232 -0.858 1.00 0.00 H new ATOM 0 HA ALA A 79 85.736 6.828 0.220 1.00 0.00 H new ATOM 0 HB1 ALA A 79 83.773 7.552 -1.112 1.00 0.00 H new ATOM 0 HB2 ALA A 79 84.479 8.921 -0.220 1.00 0.00 H new ATOM 0 HB3 ALA A 79 84.789 8.740 -1.963 1.00 0.00 H new ATOM 1319 N ASN A 80 86.992 6.678 -2.763 1.00 0.00 N ATOM 1320 CA ASN A 80 87.260 5.744 -3.894 1.00 0.00 C ATOM 1321 C ASN A 80 88.282 4.691 -3.458 1.00 0.00 C ATOM 1322 O ASN A 80 88.446 3.670 -4.095 1.00 0.00 O ATOM 1323 CB ASN A 80 87.818 6.530 -5.083 1.00 0.00 C ATOM 1324 CG ASN A 80 86.770 6.584 -6.197 1.00 0.00 C ATOM 1325 OD1 ASN A 80 87.104 6.523 -7.364 1.00 0.00 O ATOM 1326 ND2 ASN A 80 85.508 6.698 -5.884 1.00 0.00 N ATOM 0 H ASN A 80 87.535 7.541 -2.774 1.00 0.00 H new ATOM 0 HA ASN A 80 86.332 5.252 -4.184 1.00 0.00 H new ATOM 0 HB2 ASN A 80 88.085 7.540 -4.772 1.00 0.00 H new ATOM 0 HB3 ASN A 80 88.729 6.058 -5.449 1.00 0.00 H new ATOM 0 HD21 ASN A 80 84.802 6.736 -6.619 1.00 0.00 H new ATOM 0 HD22 ASN A 80 85.228 6.749 -4.904 1.00 0.00 H new ATOM 1333 N PHE A 81 88.971 4.932 -2.376 1.00 0.00 N ATOM 1334 CA PHE A 81 89.981 3.948 -1.897 1.00 0.00 C ATOM 1335 C PHE A 81 89.273 2.791 -1.193 1.00 0.00 C ATOM 1336 O PHE A 81 89.777 1.687 -1.128 1.00 0.00 O ATOM 1337 CB PHE A 81 90.930 4.636 -0.915 1.00 0.00 C ATOM 1338 CG PHE A 81 92.340 4.152 -1.152 1.00 0.00 C ATOM 1339 CD1 PHE A 81 92.641 2.790 -1.040 1.00 0.00 C ATOM 1340 CD2 PHE A 81 93.346 5.066 -1.486 1.00 0.00 C ATOM 1341 CE1 PHE A 81 93.949 2.341 -1.261 1.00 0.00 C ATOM 1342 CE2 PHE A 81 94.654 4.619 -1.707 1.00 0.00 C ATOM 1343 CZ PHE A 81 94.955 3.256 -1.594 1.00 0.00 C ATOM 0 H PHE A 81 88.877 5.770 -1.802 1.00 0.00 H new ATOM 0 HA PHE A 81 90.547 3.564 -2.746 1.00 0.00 H new ATOM 0 HB2 PHE A 81 90.880 5.717 -1.042 1.00 0.00 H new ATOM 0 HB3 PHE A 81 90.628 4.421 0.110 1.00 0.00 H new ATOM 0 HD1 PHE A 81 91.864 2.085 -0.783 1.00 0.00 H new ATOM 0 HD2 PHE A 81 93.113 6.117 -1.573 1.00 0.00 H new ATOM 0 HE1 PHE A 81 94.181 1.290 -1.175 1.00 0.00 H new ATOM 0 HE2 PHE A 81 95.430 5.325 -1.964 1.00 0.00 H new ATOM 0 HZ PHE A 81 95.964 2.910 -1.764 1.00 0.00 H new ATOM 1353 N ARG A 82 88.106 3.034 -0.663 1.00 0.00 N ATOM 1354 CA ARG A 82 87.363 1.951 0.039 1.00 0.00 C ATOM 1355 C ARG A 82 86.830 0.946 -0.986 1.00 0.00 C ATOM 1356 O ARG A 82 86.544 -0.190 -0.663 1.00 0.00 O ATOM 1357 CB ARG A 82 86.194 2.559 0.819 1.00 0.00 C ATOM 1358 CG ARG A 82 86.733 3.490 1.907 1.00 0.00 C ATOM 1359 CD ARG A 82 87.316 2.656 3.048 1.00 0.00 C ATOM 1360 NE ARG A 82 87.754 3.557 4.153 1.00 0.00 N ATOM 1361 CZ ARG A 82 87.960 3.074 5.349 1.00 0.00 C ATOM 1362 NH1 ARG A 82 87.782 1.801 5.583 1.00 0.00 N ATOM 1363 NH2 ARG A 82 88.346 3.866 6.311 1.00 0.00 N ATOM 0 H ARG A 82 87.634 3.938 -0.686 1.00 0.00 H new ATOM 0 HA ARG A 82 88.033 1.439 0.730 1.00 0.00 H new ATOM 0 HB2 ARG A 82 85.541 3.112 0.144 1.00 0.00 H new ATOM 0 HB3 ARG A 82 85.592 1.768 1.268 1.00 0.00 H new ATOM 0 HG2 ARG A 82 87.499 4.145 1.493 1.00 0.00 H new ATOM 0 HG3 ARG A 82 85.934 4.130 2.281 1.00 0.00 H new ATOM 0 HD2 ARG A 82 86.570 1.951 3.414 1.00 0.00 H new ATOM 0 HD3 ARG A 82 88.160 2.068 2.688 1.00 0.00 H new ATOM 0 HE ARG A 82 87.893 4.552 3.974 1.00 0.00 H new ATOM 0 HH11 ARG A 82 87.481 1.181 4.831 1.00 0.00 H new ATOM 0 HH12 ARG A 82 87.944 1.427 6.518 1.00 0.00 H new ATOM 0 HH21 ARG A 82 88.486 4.860 6.128 1.00 0.00 H new ATOM 0 HH22 ARG A 82 88.508 3.492 7.246 1.00 0.00 H new ATOM 1377 N CYS A 83 86.697 1.351 -2.221 1.00 0.00 N ATOM 1378 CA CYS A 83 86.187 0.408 -3.256 1.00 0.00 C ATOM 1379 C CYS A 83 87.267 -0.627 -3.571 1.00 0.00 C ATOM 1380 O CYS A 83 86.984 -1.785 -3.807 1.00 0.00 O ATOM 1381 CB CYS A 83 85.835 1.177 -4.530 1.00 0.00 C ATOM 1382 SG CYS A 83 84.730 2.553 -4.122 1.00 0.00 S ATOM 0 H CYS A 83 86.918 2.289 -2.556 1.00 0.00 H new ATOM 0 HA CYS A 83 85.294 -0.092 -2.880 1.00 0.00 H new ATOM 0 HB2 CYS A 83 86.742 1.554 -5.002 1.00 0.00 H new ATOM 0 HB3 CYS A 83 85.355 0.512 -5.248 1.00 0.00 H new ATOM 0 HG CYS A 83 84.433 3.207 -5.205 1.00 0.00 H new ATOM 1388 N ALA A 84 88.508 -0.220 -3.572 1.00 0.00 N ATOM 1389 CA ALA A 84 89.607 -1.183 -3.864 1.00 0.00 C ATOM 1390 C ALA A 84 89.494 -2.371 -2.915 1.00 0.00 C ATOM 1391 O ALA A 84 90.037 -3.428 -3.160 1.00 0.00 O ATOM 1392 CB ALA A 84 90.959 -0.496 -3.667 1.00 0.00 C ATOM 0 H ALA A 84 88.807 0.737 -3.383 1.00 0.00 H new ATOM 0 HA ALA A 84 89.528 -1.527 -4.895 1.00 0.00 H new ATOM 0 HB1 ALA A 84 91.761 -1.203 -3.881 1.00 0.00 H new ATOM 0 HB2 ALA A 84 91.036 0.356 -4.342 1.00 0.00 H new ATOM 0 HB3 ALA A 84 91.045 -0.151 -2.637 1.00 0.00 H new ATOM 1398 N MET A 85 88.787 -2.210 -1.834 1.00 0.00 N ATOM 1399 CA MET A 85 88.632 -3.336 -0.879 1.00 0.00 C ATOM 1400 C MET A 85 87.419 -4.165 -1.287 1.00 0.00 C ATOM 1401 O MET A 85 87.400 -5.371 -1.147 1.00 0.00 O ATOM 1402 CB MET A 85 88.438 -2.779 0.530 1.00 0.00 C ATOM 1403 CG MET A 85 89.501 -1.708 0.831 1.00 0.00 C ATOM 1404 SD MET A 85 91.095 -2.157 0.082 1.00 0.00 S ATOM 1405 CE MET A 85 91.617 -0.480 -0.352 1.00 0.00 C ATOM 0 H MET A 85 88.310 -1.347 -1.572 1.00 0.00 H new ATOM 0 HA MET A 85 89.521 -3.966 -0.892 1.00 0.00 H new ATOM 0 HB2 MET A 85 87.441 -2.348 0.624 1.00 0.00 H new ATOM 0 HB3 MET A 85 88.507 -3.585 1.260 1.00 0.00 H new ATOM 0 HG2 MET A 85 89.171 -0.743 0.446 1.00 0.00 H new ATOM 0 HG3 MET A 85 89.618 -1.598 1.909 1.00 0.00 H new ATOM 0 HE1 MET A 85 92.601 -0.515 -0.819 1.00 0.00 H new ATOM 0 HE2 MET A 85 90.900 -0.044 -1.048 1.00 0.00 H new ATOM 0 HE3 MET A 85 91.665 0.131 0.549 1.00 0.00 H new ATOM 1415 N ASN A 86 86.409 -3.527 -1.809 1.00 0.00 N ATOM 1416 CA ASN A 86 85.205 -4.282 -2.247 1.00 0.00 C ATOM 1417 C ASN A 86 85.477 -4.889 -3.632 1.00 0.00 C ATOM 1418 O ASN A 86 84.601 -5.453 -4.256 1.00 0.00 O ATOM 1419 CB ASN A 86 83.996 -3.333 -2.304 1.00 0.00 C ATOM 1420 CG ASN A 86 83.908 -2.655 -3.676 1.00 0.00 C ATOM 1421 OD1 ASN A 86 84.643 -1.733 -3.960 1.00 0.00 O ATOM 1422 ND2 ASN A 86 83.034 -3.083 -4.546 1.00 0.00 N ATOM 0 H ASN A 86 86.366 -2.518 -1.951 1.00 0.00 H new ATOM 0 HA ASN A 86 84.985 -5.082 -1.541 1.00 0.00 H new ATOM 0 HB2 ASN A 86 83.080 -3.890 -2.108 1.00 0.00 H new ATOM 0 HB3 ASN A 86 84.083 -2.577 -1.523 1.00 0.00 H new ATOM 0 HD21 ASN A 86 82.970 -2.642 -5.464 1.00 0.00 H new ATOM 0 HD22 ASN A 86 82.415 -3.858 -4.308 1.00 0.00 H new ATOM 1429 N SER A 87 86.688 -4.772 -4.114 1.00 0.00 N ATOM 1430 CA SER A 87 87.018 -5.333 -5.450 1.00 0.00 C ATOM 1431 C SER A 87 87.823 -6.611 -5.267 1.00 0.00 C ATOM 1432 O SER A 87 87.856 -7.163 -4.190 1.00 0.00 O ATOM 1433 CB SER A 87 87.825 -4.306 -6.247 1.00 0.00 C ATOM 1434 OG SER A 87 87.803 -4.654 -7.625 1.00 0.00 O ATOM 0 H SER A 87 87.461 -4.310 -3.635 1.00 0.00 H new ATOM 0 HA SER A 87 86.103 -5.562 -5.996 1.00 0.00 H new ATOM 0 HB2 SER A 87 87.407 -3.309 -6.106 1.00 0.00 H new ATOM 0 HB3 SER A 87 88.853 -4.275 -5.885 1.00 0.00 H new ATOM 0 HG SER A 87 88.318 -3.996 -8.137 1.00 0.00 H new ATOM 1440 N LEU A 88 88.459 -7.079 -6.315 1.00 0.00 N ATOM 1441 CA LEU A 88 89.265 -8.340 -6.239 1.00 0.00 C ATOM 1442 C LEU A 88 88.643 -9.305 -5.218 1.00 0.00 C ATOM 1443 O LEU A 88 88.827 -9.150 -4.028 1.00 0.00 O ATOM 1444 CB LEU A 88 90.709 -8.026 -5.812 1.00 0.00 C ATOM 1445 CG LEU A 88 90.950 -6.512 -5.776 1.00 0.00 C ATOM 1446 CD1 LEU A 88 90.577 -5.964 -4.396 1.00 0.00 C ATOM 1447 CD2 LEU A 88 92.430 -6.232 -6.050 1.00 0.00 C ATOM 0 H LEU A 88 88.454 -6.634 -7.233 1.00 0.00 H new ATOM 0 HA LEU A 88 89.269 -8.802 -7.226 1.00 0.00 H new ATOM 0 HB2 LEU A 88 90.903 -8.453 -4.828 1.00 0.00 H new ATOM 0 HB3 LEU A 88 91.408 -8.494 -6.506 1.00 0.00 H new ATOM 0 HG LEU A 88 90.336 -6.027 -6.535 1.00 0.00 H new ATOM 0 HD11 LEU A 88 90.749 -4.888 -4.373 1.00 0.00 H new ATOM 0 HD12 LEU A 88 89.525 -6.167 -4.196 1.00 0.00 H new ATOM 0 HD13 LEU A 88 91.191 -6.446 -3.635 1.00 0.00 H new ATOM 0 HD21 LEU A 88 92.607 -5.157 -6.026 1.00 0.00 H new ATOM 0 HD22 LEU A 88 93.039 -6.718 -5.288 1.00 0.00 H new ATOM 0 HD23 LEU A 88 92.698 -6.622 -7.032 1.00 0.00 H new ATOM 1459 N PRO A 89 87.927 -10.283 -5.708 1.00 0.00 N ATOM 1460 CA PRO A 89 87.258 -11.281 -4.847 1.00 0.00 C ATOM 1461 C PRO A 89 88.258 -12.264 -4.214 1.00 0.00 C ATOM 1462 O PRO A 89 87.902 -13.366 -3.846 1.00 0.00 O ATOM 1463 CB PRO A 89 86.297 -11.994 -5.802 1.00 0.00 C ATOM 1464 CG PRO A 89 86.844 -11.760 -7.229 1.00 0.00 C ATOM 1465 CD PRO A 89 87.724 -10.498 -7.157 1.00 0.00 C ATOM 0 HA PRO A 89 86.751 -10.822 -3.998 1.00 0.00 H new ATOM 0 HB2 PRO A 89 86.245 -13.059 -5.576 1.00 0.00 H new ATOM 0 HB3 PRO A 89 85.287 -11.597 -5.704 1.00 0.00 H new ATOM 0 HG2 PRO A 89 87.424 -12.619 -7.568 1.00 0.00 H new ATOM 0 HG3 PRO A 89 86.029 -11.625 -7.940 1.00 0.00 H new ATOM 0 HD2 PRO A 89 88.672 -10.643 -7.675 1.00 0.00 H new ATOM 0 HD3 PRO A 89 87.234 -9.643 -7.622 1.00 0.00 H new ATOM 1473 N ASP A 90 89.494 -11.870 -4.058 1.00 0.00 N ATOM 1474 CA ASP A 90 90.492 -12.767 -3.424 1.00 0.00 C ATOM 1475 C ASP A 90 91.082 -12.053 -2.202 1.00 0.00 C ATOM 1476 O ASP A 90 91.933 -12.585 -1.514 1.00 0.00 O ATOM 1477 CB ASP A 90 91.604 -13.081 -4.426 1.00 0.00 C ATOM 1478 CG ASP A 90 91.004 -13.210 -5.828 1.00 0.00 C ATOM 1479 OD1 ASP A 90 90.462 -12.230 -6.311 1.00 0.00 O ATOM 1480 OD2 ASP A 90 91.096 -14.287 -6.393 1.00 0.00 O ATOM 0 H ASP A 90 89.853 -10.960 -4.346 1.00 0.00 H new ATOM 0 HA ASP A 90 90.018 -13.699 -3.116 1.00 0.00 H new ATOM 0 HB2 ASP A 90 92.355 -12.291 -4.411 1.00 0.00 H new ATOM 0 HB3 ASP A 90 92.109 -14.006 -4.148 1.00 0.00 H new ATOM 1485 N ILE A 91 90.631 -10.848 -1.927 1.00 0.00 N ATOM 1486 CA ILE A 91 91.159 -10.097 -0.751 1.00 0.00 C ATOM 1487 C ILE A 91 90.281 -10.406 0.469 1.00 0.00 C ATOM 1488 O ILE A 91 89.070 -10.423 0.383 1.00 0.00 O ATOM 1489 CB ILE A 91 91.176 -8.565 -1.043 1.00 0.00 C ATOM 1490 CG1 ILE A 91 90.143 -7.819 -0.171 1.00 0.00 C ATOM 1491 CG2 ILE A 91 90.869 -8.282 -2.519 1.00 0.00 C ATOM 1492 CD1 ILE A 91 89.862 -6.426 -0.756 1.00 0.00 C ATOM 0 H ILE A 91 89.920 -10.357 -2.469 1.00 0.00 H new ATOM 0 HA ILE A 91 92.184 -10.408 -0.549 1.00 0.00 H new ATOM 0 HB ILE A 91 92.177 -8.207 -0.804 1.00 0.00 H new ATOM 0 HG12 ILE A 91 89.218 -8.393 -0.119 1.00 0.00 H new ATOM 0 HG13 ILE A 91 90.517 -7.725 0.848 1.00 0.00 H new ATOM 0 HG21 ILE A 91 90.887 -7.206 -2.695 1.00 0.00 H new ATOM 0 HG22 ILE A 91 91.619 -8.765 -3.146 1.00 0.00 H new ATOM 0 HG23 ILE A 91 89.882 -8.673 -2.767 1.00 0.00 H new ATOM 0 HD11 ILE A 91 89.132 -5.910 -0.132 1.00 0.00 H new ATOM 0 HD12 ILE A 91 90.787 -5.850 -0.784 1.00 0.00 H new ATOM 0 HD13 ILE A 91 89.467 -6.529 -1.767 1.00 0.00 H new ATOM 1504 N GLU A 92 90.879 -10.637 1.604 1.00 0.00 N ATOM 1505 CA GLU A 92 90.069 -10.929 2.820 1.00 0.00 C ATOM 1506 C GLU A 92 90.345 -9.861 3.877 1.00 0.00 C ATOM 1507 O GLU A 92 91.323 -9.916 4.593 1.00 0.00 O ATOM 1508 CB GLU A 92 90.435 -12.310 3.366 1.00 0.00 C ATOM 1509 CG GLU A 92 89.432 -13.345 2.849 1.00 0.00 C ATOM 1510 CD GLU A 92 90.179 -14.592 2.371 1.00 0.00 C ATOM 1511 OE1 GLU A 92 91.392 -14.617 2.497 1.00 0.00 O ATOM 1512 OE2 GLU A 92 89.526 -15.502 1.888 1.00 0.00 O ATOM 0 H GLU A 92 91.890 -10.636 1.743 1.00 0.00 H new ATOM 0 HA GLU A 92 89.009 -10.920 2.564 1.00 0.00 H new ATOM 0 HB2 GLU A 92 91.445 -12.580 3.056 1.00 0.00 H new ATOM 0 HB3 GLU A 92 90.430 -12.295 4.456 1.00 0.00 H new ATOM 0 HG2 GLU A 92 88.729 -13.611 3.639 1.00 0.00 H new ATOM 0 HG3 GLU A 92 88.848 -12.923 2.031 1.00 0.00 H new ATOM 1519 N GLU A 93 89.488 -8.883 3.969 1.00 0.00 N ATOM 1520 CA GLU A 93 89.698 -7.798 4.963 1.00 0.00 C ATOM 1521 C GLU A 93 89.463 -8.315 6.383 1.00 0.00 C ATOM 1522 O GLU A 93 88.479 -8.968 6.670 1.00 0.00 O ATOM 1523 CB GLU A 93 88.732 -6.649 4.672 1.00 0.00 C ATOM 1524 CG GLU A 93 87.297 -7.107 4.942 1.00 0.00 C ATOM 1525 CD GLU A 93 86.777 -6.442 6.217 1.00 0.00 C ATOM 1526 OE1 GLU A 93 87.517 -6.405 7.186 1.00 0.00 O ATOM 1527 OE2 GLU A 93 85.647 -5.981 6.204 1.00 0.00 O ATOM 0 H GLU A 93 88.649 -8.789 3.396 1.00 0.00 H new ATOM 0 HA GLU A 93 90.727 -7.447 4.886 1.00 0.00 H new ATOM 0 HB2 GLU A 93 88.974 -5.789 5.297 1.00 0.00 H new ATOM 0 HB3 GLU A 93 88.834 -6.328 3.635 1.00 0.00 H new ATOM 0 HG2 GLU A 93 86.657 -6.848 4.098 1.00 0.00 H new ATOM 0 HG3 GLU A 93 87.264 -8.192 5.046 1.00 0.00 H new ATOM 1534 N VAL A 94 90.366 -8.013 7.270 1.00 0.00 N ATOM 1535 CA VAL A 94 90.224 -8.461 8.684 1.00 0.00 C ATOM 1536 C VAL A 94 90.339 -7.242 9.602 1.00 0.00 C ATOM 1537 O VAL A 94 91.423 -6.784 9.904 1.00 0.00 O ATOM 1538 CB VAL A 94 91.338 -9.457 9.014 1.00 0.00 C ATOM 1539 CG1 VAL A 94 91.173 -9.954 10.451 1.00 0.00 C ATOM 1540 CG2 VAL A 94 91.261 -10.643 8.050 1.00 0.00 C ATOM 0 H VAL A 94 91.206 -7.469 7.075 1.00 0.00 H new ATOM 0 HA VAL A 94 89.256 -8.942 8.828 1.00 0.00 H new ATOM 0 HB VAL A 94 92.306 -8.966 8.911 1.00 0.00 H new ATOM 0 HG11 VAL A 94 91.967 -10.663 10.684 1.00 0.00 H new ATOM 0 HG12 VAL A 94 91.228 -9.109 11.137 1.00 0.00 H new ATOM 0 HG13 VAL A 94 90.206 -10.445 10.557 1.00 0.00 H new ATOM 0 HG21 VAL A 94 92.054 -11.354 8.283 1.00 0.00 H new ATOM 0 HG22 VAL A 94 90.293 -11.133 8.153 1.00 0.00 H new ATOM 0 HG23 VAL A 94 91.382 -10.288 7.026 1.00 0.00 H new ATOM 1550 N LYS A 95 89.234 -6.703 10.037 1.00 0.00 N ATOM 1551 CA LYS A 95 89.291 -5.503 10.922 1.00 0.00 C ATOM 1552 C LYS A 95 88.619 -5.808 12.254 1.00 0.00 C ATOM 1553 O LYS A 95 88.131 -4.928 12.937 1.00 0.00 O ATOM 1554 CB LYS A 95 88.554 -4.352 10.250 1.00 0.00 C ATOM 1555 CG LYS A 95 87.111 -4.784 10.003 1.00 0.00 C ATOM 1556 CD LYS A 95 86.188 -3.567 10.083 1.00 0.00 C ATOM 1557 CE LYS A 95 85.997 -3.169 11.547 1.00 0.00 C ATOM 1558 NZ LYS A 95 84.561 -2.857 11.795 1.00 0.00 N ATOM 0 H LYS A 95 88.296 -7.039 9.819 1.00 0.00 H new ATOM 0 HA LYS A 95 90.333 -5.234 11.095 1.00 0.00 H new ATOM 0 HB2 LYS A 95 88.581 -3.464 10.881 1.00 0.00 H new ATOM 0 HB3 LYS A 95 89.038 -4.089 9.309 1.00 0.00 H new ATOM 0 HG2 LYS A 95 87.025 -5.254 9.024 1.00 0.00 H new ATOM 0 HG3 LYS A 95 86.812 -5.528 10.741 1.00 0.00 H new ATOM 0 HD2 LYS A 95 86.615 -2.736 9.522 1.00 0.00 H new ATOM 0 HD3 LYS A 95 85.224 -3.797 9.629 1.00 0.00 H new ATOM 0 HE2 LYS A 95 86.322 -3.979 12.200 1.00 0.00 H new ATOM 0 HE3 LYS A 95 86.614 -2.302 11.783 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 84.431 -2.586 12.791 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 84.266 -2.071 11.181 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 83.982 -3.696 11.586 1.00 0.00 H new ATOM 1727 N PHE A 106 93.186 -0.614 11.633 1.00 0.00 N ATOM 1728 CA PHE A 106 93.842 -1.734 10.915 1.00 0.00 C ATOM 1729 C PHE A 106 92.839 -2.533 10.089 1.00 0.00 C ATOM 1730 O PHE A 106 91.697 -2.717 10.460 1.00 0.00 O ATOM 1731 CB PHE A 106 94.501 -2.663 11.931 1.00 0.00 C ATOM 1732 CG PHE A 106 95.964 -2.331 12.000 1.00 0.00 C ATOM 1733 CD1 PHE A 106 96.720 -2.299 10.827 1.00 0.00 C ATOM 1734 CD2 PHE A 106 96.559 -2.040 13.230 1.00 0.00 C ATOM 1735 CE1 PHE A 106 98.078 -1.978 10.880 1.00 0.00 C ATOM 1736 CE2 PHE A 106 97.918 -1.717 13.286 1.00 0.00 C ATOM 1737 CZ PHE A 106 98.680 -1.686 12.111 1.00 0.00 C ATOM 0 HA PHE A 106 94.586 -1.314 10.238 1.00 0.00 H new ATOM 0 HB2 PHE A 106 94.038 -2.542 12.911 1.00 0.00 H new ATOM 0 HB3 PHE A 106 94.362 -3.704 11.639 1.00 0.00 H new ATOM 0 HD1 PHE A 106 96.255 -2.523 9.878 1.00 0.00 H new ATOM 0 HD2 PHE A 106 95.971 -2.065 14.135 1.00 0.00 H new ATOM 0 HE1 PHE A 106 98.664 -1.955 9.973 1.00 0.00 H new ATOM 0 HE2 PHE A 106 98.381 -1.491 14.235 1.00 0.00 H new ATOM 0 HZ PHE A 106 99.730 -1.437 12.154 1.00 0.00 H new ATOM 1747 N ARG A 107 93.294 -3.033 8.978 1.00 0.00 N ATOM 1748 CA ARG A 107 92.435 -3.863 8.094 1.00 0.00 C ATOM 1749 C ARG A 107 93.375 -4.820 7.362 1.00 0.00 C ATOM 1750 O ARG A 107 94.036 -4.459 6.404 1.00 0.00 O ATOM 1751 CB ARG A 107 91.693 -2.967 7.102 1.00 0.00 C ATOM 1752 CG ARG A 107 90.186 -3.199 7.193 1.00 0.00 C ATOM 1753 CD ARG A 107 89.495 -2.481 6.032 1.00 0.00 C ATOM 1754 NE ARG A 107 88.071 -2.215 6.381 1.00 0.00 N ATOM 1755 CZ ARG A 107 87.292 -1.599 5.532 1.00 0.00 C ATOM 1756 NH1 ARG A 107 87.758 -1.214 4.373 1.00 0.00 N ATOM 1757 NH2 ARG A 107 86.046 -1.370 5.841 1.00 0.00 N ATOM 0 H ARG A 107 94.246 -2.898 8.638 1.00 0.00 H new ATOM 0 HA ARG A 107 91.683 -4.413 8.660 1.00 0.00 H new ATOM 0 HB2 ARG A 107 91.919 -1.921 7.309 1.00 0.00 H new ATOM 0 HB3 ARG A 107 92.038 -3.173 6.089 1.00 0.00 H new ATOM 0 HG2 ARG A 107 89.968 -4.266 7.158 1.00 0.00 H new ATOM 0 HG3 ARG A 107 89.806 -2.827 8.144 1.00 0.00 H new ATOM 0 HD2 ARG A 107 90.007 -1.544 5.815 1.00 0.00 H new ATOM 0 HD3 ARG A 107 89.551 -3.091 5.130 1.00 0.00 H new ATOM 0 HE ARG A 107 87.704 -2.514 7.284 1.00 0.00 H new ATOM 0 HH11 ARG A 107 88.732 -1.394 4.130 1.00 0.00 H new ATOM 0 HH12 ARG A 107 87.148 -0.733 3.712 1.00 0.00 H new ATOM 0 HH21 ARG A 107 85.681 -1.672 6.744 1.00 0.00 H new ATOM 0 HH22 ARG A 107 85.437 -0.889 5.179 1.00 0.00 H new ATOM 1771 N VAL A 108 93.481 -6.024 7.848 1.00 0.00 N ATOM 1772 CA VAL A 108 94.420 -7.002 7.229 1.00 0.00 C ATOM 1773 C VAL A 108 93.751 -7.697 6.050 1.00 0.00 C ATOM 1774 O VAL A 108 92.780 -8.407 6.202 1.00 0.00 O ATOM 1775 CB VAL A 108 94.847 -8.035 8.277 1.00 0.00 C ATOM 1776 CG1 VAL A 108 96.320 -8.370 8.082 1.00 0.00 C ATOM 1777 CG2 VAL A 108 94.666 -7.458 9.681 1.00 0.00 C ATOM 0 H VAL A 108 92.957 -6.375 8.650 1.00 0.00 H new ATOM 0 HA VAL A 108 95.301 -6.473 6.866 1.00 0.00 H new ATOM 0 HB VAL A 108 94.234 -8.929 8.163 1.00 0.00 H new ATOM 0 HG11 VAL A 108 96.628 -9.105 8.826 1.00 0.00 H new ATOM 0 HG12 VAL A 108 96.471 -8.780 7.083 1.00 0.00 H new ATOM 0 HG13 VAL A 108 96.917 -7.465 8.197 1.00 0.00 H new ATOM 0 HG21 VAL A 108 94.972 -8.198 10.421 1.00 0.00 H new ATOM 0 HG22 VAL A 108 95.279 -6.563 9.788 1.00 0.00 H new ATOM 0 HG23 VAL A 108 93.618 -7.201 9.836 1.00 0.00 H new ATOM 1787 N TYR A 109 94.259 -7.489 4.868 1.00 0.00 N ATOM 1788 CA TYR A 109 93.637 -8.125 3.680 1.00 0.00 C ATOM 1789 C TYR A 109 94.435 -9.354 3.255 1.00 0.00 C ATOM 1790 O TYR A 109 95.628 -9.292 3.032 1.00 0.00 O ATOM 1791 CB TYR A 109 93.599 -7.120 2.529 1.00 0.00 C ATOM 1792 CG TYR A 109 92.408 -6.208 2.697 1.00 0.00 C ATOM 1793 CD1 TYR A 109 92.041 -5.769 3.973 1.00 0.00 C ATOM 1794 CD2 TYR A 109 91.673 -5.802 1.579 1.00 0.00 C ATOM 1795 CE1 TYR A 109 90.941 -4.927 4.134 1.00 0.00 C ATOM 1796 CE2 TYR A 109 90.569 -4.954 1.740 1.00 0.00 C ATOM 1797 CZ TYR A 109 90.204 -4.517 3.021 1.00 0.00 C ATOM 1798 OH TYR A 109 89.118 -3.683 3.189 1.00 0.00 O ATOM 0 H TYR A 109 95.075 -6.908 4.676 1.00 0.00 H new ATOM 0 HA TYR A 109 92.624 -8.435 3.935 1.00 0.00 H new ATOM 0 HB2 TYR A 109 94.519 -6.535 2.512 1.00 0.00 H new ATOM 0 HB3 TYR A 109 93.537 -7.645 1.576 1.00 0.00 H new ATOM 0 HD1 TYR A 109 92.610 -6.083 4.835 1.00 0.00 H new ATOM 0 HD2 TYR A 109 91.956 -6.141 0.593 1.00 0.00 H new ATOM 0 HE1 TYR A 109 90.659 -4.592 5.121 1.00 0.00 H new ATOM 0 HE2 TYR A 109 90.000 -4.638 0.878 1.00 0.00 H new ATOM 0 HH TYR A 109 88.456 -4.120 3.765 1.00 0.00 H new ATOM 1808 N ARG A 110 93.775 -10.468 3.126 1.00 0.00 N ATOM 1809 CA ARG A 110 94.475 -11.709 2.698 1.00 0.00 C ATOM 1810 C ARG A 110 94.175 -11.955 1.218 1.00 0.00 C ATOM 1811 O ARG A 110 93.034 -12.099 0.823 1.00 0.00 O ATOM 1812 CB ARG A 110 93.970 -12.889 3.530 1.00 0.00 C ATOM 1813 CG ARG A 110 95.159 -13.660 4.105 1.00 0.00 C ATOM 1814 CD ARG A 110 94.860 -14.061 5.551 1.00 0.00 C ATOM 1815 NE ARG A 110 93.968 -15.254 5.560 1.00 0.00 N ATOM 1816 CZ ARG A 110 93.474 -15.695 6.686 1.00 0.00 C ATOM 1817 NH1 ARG A 110 93.757 -15.091 7.809 1.00 0.00 N ATOM 1818 NH2 ARG A 110 92.695 -16.742 6.687 1.00 0.00 N ATOM 0 H ARG A 110 92.775 -10.574 3.299 1.00 0.00 H new ATOM 0 HA ARG A 110 95.550 -11.603 2.844 1.00 0.00 H new ATOM 0 HB2 ARG A 110 93.332 -12.530 4.338 1.00 0.00 H new ATOM 0 HB3 ARG A 110 93.361 -13.549 2.912 1.00 0.00 H new ATOM 0 HG2 ARG A 110 95.355 -14.548 3.504 1.00 0.00 H new ATOM 0 HG3 ARG A 110 96.058 -13.044 4.066 1.00 0.00 H new ATOM 0 HD2 ARG A 110 95.788 -14.283 6.078 1.00 0.00 H new ATOM 0 HD3 ARG A 110 94.385 -13.234 6.078 1.00 0.00 H new ATOM 0 HE ARG A 110 93.742 -15.728 4.685 1.00 0.00 H new ATOM 0 HH11 ARG A 110 94.365 -14.272 7.809 1.00 0.00 H new ATOM 0 HH12 ARG A 110 93.370 -15.438 8.686 1.00 0.00 H new ATOM 0 HH21 ARG A 110 92.473 -17.214 5.810 1.00 0.00 H new ATOM 0 HH22 ARG A 110 92.308 -17.089 7.565 1.00 0.00 H new ATOM 1832 N MET A 111 95.187 -11.995 0.394 1.00 0.00 N ATOM 1833 CA MET A 111 94.954 -12.224 -1.060 1.00 0.00 C ATOM 1834 C MET A 111 95.238 -13.688 -1.401 1.00 0.00 C ATOM 1835 O MET A 111 96.329 -14.183 -1.195 1.00 0.00 O ATOM 1836 CB MET A 111 95.883 -11.322 -1.872 1.00 0.00 C ATOM 1837 CG MET A 111 95.621 -9.860 -1.506 1.00 0.00 C ATOM 1838 SD MET A 111 97.060 -8.858 -1.951 1.00 0.00 S ATOM 1839 CE MET A 111 96.596 -8.549 -3.673 1.00 0.00 C ATOM 0 H MET A 111 96.164 -11.879 0.665 1.00 0.00 H new ATOM 0 HA MET A 111 93.917 -11.991 -1.302 1.00 0.00 H new ATOM 0 HB2 MET A 111 96.923 -11.578 -1.671 1.00 0.00 H new ATOM 0 HB3 MET A 111 95.717 -11.477 -2.938 1.00 0.00 H new ATOM 0 HG2 MET A 111 94.736 -9.496 -2.028 1.00 0.00 H new ATOM 0 HG3 MET A 111 95.420 -9.772 -0.438 1.00 0.00 H new ATOM 0 HE1 MET A 111 97.360 -7.935 -4.151 1.00 0.00 H new ATOM 0 HE2 MET A 111 96.509 -9.498 -4.202 1.00 0.00 H new ATOM 0 HE3 MET A 111 95.639 -8.027 -3.704 1.00 0.00 H new ATOM 1849 N LEU A 112 94.266 -14.385 -1.923 1.00 0.00 N ATOM 1850 CA LEU A 112 94.487 -15.818 -2.275 1.00 0.00 C ATOM 1851 C LEU A 112 95.199 -15.907 -3.629 1.00 0.00 C ATOM 1852 O LEU A 112 95.172 -14.971 -4.404 1.00 0.00 O ATOM 1853 CB LEU A 112 93.141 -16.540 -2.357 1.00 0.00 C ATOM 1854 CG LEU A 112 92.276 -16.140 -1.160 1.00 0.00 C ATOM 1855 CD1 LEU A 112 90.822 -16.537 -1.423 1.00 0.00 C ATOM 1856 CD2 LEU A 112 92.780 -16.858 0.094 1.00 0.00 C ATOM 0 H LEU A 112 93.332 -14.027 -2.121 1.00 0.00 H new ATOM 0 HA LEU A 112 95.103 -16.288 -1.508 1.00 0.00 H new ATOM 0 HB2 LEU A 112 92.634 -16.284 -3.288 1.00 0.00 H new ATOM 0 HB3 LEU A 112 93.295 -17.619 -2.364 1.00 0.00 H new ATOM 0 HG LEU A 112 92.337 -15.062 -1.013 1.00 0.00 H new ATOM 0 HD11 LEU A 112 90.207 -16.252 -0.570 1.00 0.00 H new ATOM 0 HD12 LEU A 112 90.462 -16.027 -2.317 1.00 0.00 H new ATOM 0 HD13 LEU A 112 90.760 -17.615 -1.570 1.00 0.00 H new ATOM 0 HD21 LEU A 112 92.165 -16.574 0.948 1.00 0.00 H new ATOM 0 HD22 LEU A 112 92.719 -17.936 -0.055 1.00 0.00 H new ATOM 0 HD23 LEU A 112 93.816 -16.576 0.283 1.00 0.00 H new ATOM 1868 N PRO A 113 95.820 -17.034 -3.869 1.00 0.00 N ATOM 1869 CA PRO A 113 96.557 -17.286 -5.119 1.00 0.00 C ATOM 1870 C PRO A 113 95.590 -17.616 -6.260 1.00 0.00 C ATOM 1871 O PRO A 113 96.046 -17.699 -7.389 1.00 0.00 O ATOM 1872 CB PRO A 113 97.439 -18.487 -4.783 1.00 0.00 C ATOM 1873 CG PRO A 113 96.767 -19.197 -3.591 1.00 0.00 C ATOM 1874 CD PRO A 113 95.844 -18.163 -2.919 1.00 0.00 C ATOM 1875 OXT PRO A 113 94.413 -17.779 -5.985 1.00 0.00 O ATOM 0 HA PRO A 113 97.133 -16.424 -5.455 1.00 0.00 H new ATOM 0 HB2 PRO A 113 97.524 -19.158 -5.638 1.00 0.00 H new ATOM 0 HB3 PRO A 113 98.449 -18.168 -4.526 1.00 0.00 H new ATOM 0 HG2 PRO A 113 96.197 -20.063 -3.928 1.00 0.00 H new ATOM 0 HG3 PRO A 113 97.515 -19.563 -2.887 1.00 0.00 H new ATOM 0 HD2 PRO A 113 94.845 -18.567 -2.754 1.00 0.00 H new ATOM 0 HD3 PRO A 113 96.229 -17.858 -1.946 1.00 0.00 H new