USER MOD reduce.3.24.130724 H: found=0, std=0, add=917, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 915 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 70 LYS NZ :NH3+ -121:sc= 0.101 (180deg=-0.000114) USER MOD Set 1.2: A 96 GLN : amide:sc= 0.1 X(o=0.2,f=-0.00011) USER MOD Set 2.1: A 37 ASN : amide:sc= 0 K(o=-1.6,f=-7!) USER MOD Set 2.2: A 60 MET CE :methyl 158:sc= -1.57 (180deg=-2.53) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 CYS SG : rot -52:sc= -0.778 USER MOD Single : A 31 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 THR OG1 : rot -130:sc= -0.771 USER MOD Single : A 35 ASN : amide:sc= -1.29 K(o=-1.3,f=-5.2!) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 46 LYS NZ :NH3+ 159:sc=-0.00262 (180deg=-0.168) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 SER OG : rot 156:sc= 1.2 USER MOD Single : A 57 MET CE :methyl -172:sc= -1.09 (180deg=-1.13) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 GLN : amide:sc= -2.43! C(o=-2.4!,f=-4.2!) USER MOD Single : A 71 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 73 HIS : no HD1:sc= -3.42 X(o=-3.4,f=-3.8!) USER MOD Single : A 75 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 81 MET CE :methyl -135:sc= -4.48! (180deg=-9.09!) USER MOD Single : A 82 THR OG1 : rot -130:sc= 0.217 USER MOD Single : A 84 HIS : no HD1:sc= -0.689 X(o=-0.69,f=-0.22) USER MOD Single : A 85 SER OG : rot 120:sc= -0.168 USER MOD Single : A 92 SER OG : rot -42:sc= 0.332 USER MOD Single : A 94 TYR OH : rot 180:sc= 0 USER MOD Single : A 95 GLN : amide:sc= -0.177 X(o=-0.18,f=-0.18) USER MOD Single : A 101 TYR OH : rot -112:sc= 0.0553 USER MOD Single : A 104 LYS NZ :NH3+ 174:sc= 0.584 (180deg=0.566) USER MOD Single : A 120 SER OG : rot 180:sc= 0 USER MOD Single : A 121 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 35 N ARG A 3 -0.822 4.845 -1.188 1.00 73.42 N ATOM 36 CA ARG A 3 -2.020 5.127 -0.406 1.00 22.41 C ATOM 37 C ARG A 3 -1.775 4.862 1.077 1.00 74.21 C ATOM 38 O ARG A 3 -1.000 3.979 1.441 1.00 62.23 O ATOM 39 CB ARG A 3 -3.190 4.275 -0.901 1.00 14.12 C ATOM 40 CG ARG A 3 -4.484 4.519 -0.142 1.00 34.44 C ATOM 41 CD ARG A 3 -4.896 5.981 -0.197 1.00 51.42 C ATOM 42 NE ARG A 3 -6.258 6.148 -0.697 1.00 13.15 N ATOM 43 CZ ARG A 3 -6.577 6.118 -1.986 1.00 13.23 C ATOM 44 NH1 ARG A 3 -5.637 5.929 -2.901 1.00 24.44 N ATOM 45 NH2 ARG A 3 -7.840 6.278 -2.362 1.00 22.31 N ATOM 0 HA ARG A 3 -2.268 6.181 -0.533 1.00 22.41 H new ATOM 0 HB2 ARG A 3 -3.355 4.479 -1.959 1.00 14.12 H new ATOM 0 HB3 ARG A 3 -2.923 3.222 -0.817 1.00 14.12 H new ATOM 0 HG2 ARG A 3 -5.276 3.901 -0.564 1.00 34.44 H new ATOM 0 HG3 ARG A 3 -4.360 4.214 0.897 1.00 34.44 H new ATOM 0 HD2 ARG A 3 -4.820 6.417 0.799 1.00 51.42 H new ATOM 0 HD3 ARG A 3 -4.205 6.528 -0.838 1.00 51.42 H new ATOM 0 HE ARG A 3 -7.006 6.296 -0.019 1.00 13.15 H new ATOM 0 HH11 ARG A 3 -4.665 5.806 -2.616 1.00 24.44 H new ATOM 0 HH12 ARG A 3 -5.885 5.906 -3.890 1.00 24.44 H new ATOM 0 HH21 ARG A 3 -8.566 6.424 -1.661 1.00 22.31 H new ATOM 0 HH22 ARG A 3 -8.084 6.255 -3.352 1.00 22.31 H new ATOM 59 N GLY A 4 -2.443 5.634 1.929 1.00 40.22 N ATOM 60 CA GLY A 4 -2.284 5.468 3.362 1.00 72.13 C ATOM 61 C GLY A 4 -2.993 6.549 4.153 1.00 42.41 C ATOM 62 O GLY A 4 -3.112 7.686 3.694 1.00 2.02 O ATOM 0 H GLY A 4 -3.091 6.371 1.652 1.00 40.22 H new ATOM 0 HA2 GLY A 4 -2.672 4.493 3.657 1.00 72.13 H new ATOM 0 HA3 GLY A 4 -1.223 5.477 3.610 1.00 72.13 H new ATOM 66 N ILE A 5 -3.466 6.196 5.343 1.00 23.21 N ATOM 67 CA ILE A 5 -4.167 7.145 6.199 1.00 43.12 C ATOM 68 C ILE A 5 -3.195 8.130 6.839 1.00 25.02 C ATOM 69 O ILE A 5 -2.473 7.787 7.776 1.00 60.33 O ATOM 70 CB ILE A 5 -4.957 6.426 7.308 1.00 3.12 C ATOM 71 CG1 ILE A 5 -5.765 5.268 6.720 1.00 31.20 C ATOM 72 CG2 ILE A 5 -5.872 7.406 8.027 1.00 5.23 C ATOM 73 CD1 ILE A 5 -6.442 4.411 7.767 1.00 74.15 C ATOM 0 H ILE A 5 -3.377 5.259 5.737 1.00 23.21 H new ATOM 0 HA ILE A 5 -4.865 7.689 5.562 1.00 43.12 H new ATOM 0 HB ILE A 5 -4.251 6.020 8.032 1.00 3.12 H new ATOM 0 HG12 ILE A 5 -6.522 5.669 6.046 1.00 31.20 H new ATOM 0 HG13 ILE A 5 -5.104 4.642 6.121 1.00 31.20 H new ATOM 0 HG21 ILE A 5 -6.424 6.883 8.808 1.00 5.23 H new ATOM 0 HG22 ILE A 5 -5.275 8.200 8.475 1.00 5.23 H new ATOM 0 HG23 ILE A 5 -6.574 7.838 7.314 1.00 5.23 H new ATOM 0 HD11 ILE A 5 -6.997 3.610 7.278 1.00 74.15 H new ATOM 0 HD12 ILE A 5 -5.689 3.981 8.427 1.00 74.15 H new ATOM 0 HD13 ILE A 5 -7.129 5.024 8.351 1.00 74.15 H new ATOM 85 N VAL A 6 -3.182 9.357 6.329 1.00 42.33 N ATOM 86 CA VAL A 6 -2.301 10.394 6.852 1.00 4.04 C ATOM 87 C VAL A 6 -3.052 11.331 7.792 1.00 25.52 C ATOM 88 O VAL A 6 -3.799 12.202 7.349 1.00 11.41 O ATOM 89 CB VAL A 6 -1.670 11.222 5.716 1.00 34.53 C ATOM 90 CG1 VAL A 6 -0.809 12.339 6.284 1.00 13.41 C ATOM 91 CG2 VAL A 6 -0.857 10.326 4.794 1.00 4.40 C ATOM 0 H VAL A 6 -3.772 9.657 5.553 1.00 42.33 H new ATOM 0 HA VAL A 6 -1.510 9.887 7.404 1.00 4.04 H new ATOM 0 HB VAL A 6 -2.470 11.676 5.132 1.00 34.53 H new ATOM 0 HG11 VAL A 6 -0.372 12.913 5.467 1.00 13.41 H new ATOM 0 HG12 VAL A 6 -1.424 12.995 6.900 1.00 13.41 H new ATOM 0 HG13 VAL A 6 -0.013 11.911 6.893 1.00 13.41 H new ATOM 0 HG21 VAL A 6 -0.418 10.926 3.997 1.00 4.40 H new ATOM 0 HG22 VAL A 6 -0.063 9.843 5.363 1.00 4.40 H new ATOM 0 HG23 VAL A 6 -1.506 9.566 4.360 1.00 4.40 H new ATOM 101 N TRP A 7 -2.847 11.144 9.091 1.00 11.51 N ATOM 102 CA TRP A 7 -3.505 11.974 10.095 1.00 70.34 C ATOM 103 C TRP A 7 -2.500 12.881 10.795 1.00 42.53 C ATOM 104 O TRP A 7 -1.677 12.420 11.586 1.00 74.42 O ATOM 105 CB TRP A 7 -4.220 11.095 11.123 1.00 51.44 C ATOM 106 CG TRP A 7 -5.492 10.493 10.607 1.00 13.52 C ATOM 107 CD1 TRP A 7 -5.949 10.520 9.320 1.00 21.33 C ATOM 108 CD2 TRP A 7 -6.472 9.778 11.368 1.00 4.00 C ATOM 109 NE1 TRP A 7 -7.153 9.864 9.235 1.00 32.44 N ATOM 110 CE2 TRP A 7 -7.495 9.399 10.478 1.00 72.33 C ATOM 111 CE3 TRP A 7 -6.583 9.419 12.714 1.00 44.10 C ATOM 112 CZ2 TRP A 7 -8.613 8.680 10.892 1.00 14.22 C ATOM 113 CZ3 TRP A 7 -7.693 8.706 13.124 1.00 52.31 C ATOM 114 CH2 TRP A 7 -8.696 8.342 12.216 1.00 52.23 C ATOM 0 H TRP A 7 -2.232 10.426 9.474 1.00 11.51 H new ATOM 0 HA TRP A 7 -4.240 12.600 9.589 1.00 70.34 H new ATOM 0 HB2 TRP A 7 -3.549 10.295 11.436 1.00 51.44 H new ATOM 0 HB3 TRP A 7 -4.441 11.691 12.009 1.00 51.44 H new ATOM 0 HD1 TRP A 7 -5.439 10.988 8.491 1.00 21.33 H new ATOM 0 HE1 TRP A 7 -7.703 9.743 8.385 1.00 32.44 H new ATOM 0 HE3 TRP A 7 -5.815 9.694 13.421 1.00 44.10 H new ATOM 0 HZ2 TRP A 7 -9.387 8.399 10.193 1.00 14.22 H new ATOM 0 HZ3 TRP A 7 -7.789 8.424 14.162 1.00 52.31 H new ATOM 0 HH2 TRP A 7 -9.551 7.784 12.567 1.00 52.23 H new ATOM 125 N VAL A 8 -2.571 14.176 10.499 1.00 32.51 N ATOM 126 CA VAL A 8 -1.668 15.148 11.102 1.00 42.32 C ATOM 127 C VAL A 8 -2.438 16.189 11.906 1.00 14.13 C ATOM 128 O VAL A 8 -3.219 16.964 11.353 1.00 2.12 O ATOM 129 CB VAL A 8 -0.821 15.865 10.033 1.00 11.23 C ATOM 130 CG1 VAL A 8 0.320 16.633 10.683 1.00 64.43 C ATOM 131 CG2 VAL A 8 -0.292 14.866 9.015 1.00 2.43 C ATOM 0 H VAL A 8 -3.245 14.575 9.845 1.00 32.51 H new ATOM 0 HA VAL A 8 -1.007 14.595 11.769 1.00 42.32 H new ATOM 0 HB VAL A 8 -1.456 16.580 9.510 1.00 11.23 H new ATOM 0 HG11 VAL A 8 0.907 17.133 9.913 1.00 64.43 H new ATOM 0 HG12 VAL A 8 -0.086 17.376 11.369 1.00 64.43 H new ATOM 0 HG13 VAL A 8 0.957 15.941 11.233 1.00 64.43 H new ATOM 0 HG21 VAL A 8 0.304 15.389 8.267 1.00 2.43 H new ATOM 0 HG22 VAL A 8 0.328 14.126 9.520 1.00 2.43 H new ATOM 0 HG23 VAL A 8 -1.129 14.366 8.527 1.00 2.43 H new ATOM 141 N VAL A 9 -2.214 16.202 13.216 1.00 22.44 N ATOM 142 CA VAL A 9 -2.886 17.149 14.098 1.00 24.43 C ATOM 143 C VAL A 9 -1.954 18.289 14.492 1.00 23.14 C ATOM 144 O VAL A 9 -0.957 18.079 15.184 1.00 31.11 O ATOM 145 CB VAL A 9 -3.402 16.458 15.374 1.00 31.14 C ATOM 146 CG1 VAL A 9 -2.251 15.829 16.145 1.00 40.32 C ATOM 147 CG2 VAL A 9 -4.160 17.448 16.246 1.00 72.21 C ATOM 0 H VAL A 9 -1.572 15.567 13.690 1.00 22.44 H new ATOM 0 HA VAL A 9 -3.734 17.552 13.544 1.00 24.43 H new ATOM 0 HB VAL A 9 -4.089 15.664 15.083 1.00 31.14 H new ATOM 0 HG11 VAL A 9 -2.636 15.346 17.043 1.00 40.32 H new ATOM 0 HG12 VAL A 9 -1.755 15.088 15.518 1.00 40.32 H new ATOM 0 HG13 VAL A 9 -1.536 16.602 16.427 1.00 40.32 H new ATOM 0 HG21 VAL A 9 -4.518 16.943 17.143 1.00 72.21 H new ATOM 0 HG22 VAL A 9 -3.497 18.265 16.529 1.00 72.21 H new ATOM 0 HG23 VAL A 9 -5.009 17.846 15.691 1.00 72.21 H new ATOM 157 N ASP A 10 -2.285 19.496 14.048 1.00 4.33 N ATOM 158 CA ASP A 10 -1.478 20.672 14.356 1.00 71.32 C ATOM 159 C ASP A 10 -2.287 21.951 14.165 1.00 61.15 C ATOM 160 O ASP A 10 -3.306 21.955 13.473 1.00 2.45 O ATOM 161 CB ASP A 10 -0.230 20.706 13.472 1.00 31.33 C ATOM 162 CG ASP A 10 -0.566 20.840 12.000 1.00 15.01 C ATOM 163 OD1 ASP A 10 -0.675 21.987 11.518 1.00 3.21 O ATOM 164 OD2 ASP A 10 -0.721 19.798 11.330 1.00 63.02 O ATOM 0 H ASP A 10 -3.106 19.687 13.474 1.00 4.33 H new ATOM 0 HA ASP A 10 -1.172 20.609 15.400 1.00 71.32 H new ATOM 0 HB2 ASP A 10 0.403 21.540 13.774 1.00 31.33 H new ATOM 0 HB3 ASP A 10 0.347 19.795 13.628 1.00 31.33 H new ATOM 169 N ASP A 11 -1.827 23.033 14.782 1.00 43.42 N ATOM 170 CA ASP A 11 -2.507 24.319 14.680 1.00 52.23 C ATOM 171 C ASP A 11 -1.706 25.291 13.819 1.00 52.20 C ATOM 172 O ASP A 11 -0.995 26.153 14.336 1.00 14.12 O ATOM 173 CB ASP A 11 -2.730 24.915 16.071 1.00 64.51 C ATOM 174 CG ASP A 11 -3.934 25.834 16.121 1.00 1.14 C ATOM 175 OD1 ASP A 11 -5.059 25.329 16.318 1.00 20.43 O ATOM 176 OD2 ASP A 11 -3.751 27.059 15.965 1.00 52.32 O ATOM 0 H ASP A 11 -0.986 23.046 15.358 1.00 43.42 H new ATOM 0 HA ASP A 11 -3.474 24.153 14.205 1.00 52.23 H new ATOM 0 HB2 ASP A 11 -2.862 24.108 16.792 1.00 64.51 H new ATOM 0 HB3 ASP A 11 -1.841 25.469 16.372 1.00 64.51 H new ATOM 181 N ASP A 12 -1.825 25.145 12.504 1.00 14.30 N ATOM 182 CA ASP A 12 -1.112 26.010 11.571 1.00 15.20 C ATOM 183 C ASP A 12 -1.496 25.688 10.130 1.00 1.11 C ATOM 184 O ASP A 12 -1.116 24.647 9.594 1.00 34.12 O ATOM 185 CB ASP A 12 0.398 25.860 11.756 1.00 63.23 C ATOM 186 CG ASP A 12 1.152 27.132 11.422 1.00 51.23 C ATOM 187 OD1 ASP A 12 0.588 27.985 10.704 1.00 63.12 O ATOM 188 OD2 ASP A 12 2.305 27.276 11.879 1.00 71.32 O ATOM 0 H ASP A 12 -2.408 24.436 12.060 1.00 14.30 H new ATOM 0 HA ASP A 12 -1.395 27.042 11.781 1.00 15.20 H new ATOM 0 HB2 ASP A 12 0.608 25.577 12.787 1.00 63.23 H new ATOM 0 HB3 ASP A 12 0.760 25.050 11.123 1.00 63.23 H new ATOM 193 N SER A 13 -2.251 26.588 9.509 1.00 53.13 N ATOM 194 CA SER A 13 -2.690 26.398 8.131 1.00 35.53 C ATOM 195 C SER A 13 -1.495 26.244 7.196 1.00 2.12 C ATOM 196 O SER A 13 -1.605 25.654 6.122 1.00 41.04 O ATOM 197 CB SER A 13 -3.556 27.576 7.682 1.00 41.41 C ATOM 198 OG SER A 13 -2.792 28.520 6.950 1.00 35.32 O ATOM 0 H SER A 13 -2.572 27.456 9.938 1.00 53.13 H new ATOM 0 HA SER A 13 -3.282 25.484 8.087 1.00 35.53 H new ATOM 0 HB2 SER A 13 -4.379 27.213 7.066 1.00 41.41 H new ATOM 0 HB3 SER A 13 -3.999 28.059 8.553 1.00 41.41 H new ATOM 0 HG SER A 13 -3.368 29.263 6.673 1.00 35.32 H new ATOM 204 N SER A 14 -0.352 26.780 7.614 1.00 54.12 N ATOM 205 CA SER A 14 0.864 26.707 6.813 1.00 61.01 C ATOM 206 C SER A 14 1.368 25.270 6.721 1.00 61.04 C ATOM 207 O SER A 14 1.879 24.845 5.684 1.00 42.52 O ATOM 208 CB SER A 14 1.950 27.603 7.413 1.00 74.40 C ATOM 209 OG SER A 14 2.635 28.320 6.402 1.00 41.54 O ATOM 0 H SER A 14 -0.243 27.269 8.502 1.00 54.12 H new ATOM 0 HA SER A 14 0.629 27.057 5.808 1.00 61.01 H new ATOM 0 HB2 SER A 14 1.500 28.302 8.118 1.00 74.40 H new ATOM 0 HB3 SER A 14 2.658 26.995 7.975 1.00 74.40 H new ATOM 0 HG SER A 14 3.322 28.886 6.811 1.00 41.54 H new ATOM 215 N ILE A 15 1.220 24.527 7.812 1.00 63.40 N ATOM 216 CA ILE A 15 1.659 23.137 7.855 1.00 41.34 C ATOM 217 C ILE A 15 0.570 22.201 7.342 1.00 63.12 C ATOM 218 O ILE A 15 0.860 21.157 6.757 1.00 51.11 O ATOM 219 CB ILE A 15 2.053 22.715 9.282 1.00 22.13 C ATOM 220 CG1 ILE A 15 2.950 23.777 9.922 1.00 31.44 C ATOM 221 CG2 ILE A 15 2.754 21.365 9.261 1.00 60.23 C ATOM 222 CD1 ILE A 15 4.197 24.077 9.121 1.00 23.02 C ATOM 0 H ILE A 15 0.800 24.864 8.678 1.00 63.40 H new ATOM 0 HA ILE A 15 2.534 23.062 7.209 1.00 41.34 H new ATOM 0 HB ILE A 15 1.147 22.623 9.881 1.00 22.13 H new ATOM 0 HG12 ILE A 15 2.378 24.697 10.047 1.00 31.44 H new ATOM 0 HG13 ILE A 15 3.240 23.444 10.919 1.00 31.44 H new ATOM 0 HG21 ILE A 15 3.026 21.081 10.277 1.00 60.23 H new ATOM 0 HG22 ILE A 15 2.085 20.614 8.841 1.00 60.23 H new ATOM 0 HG23 ILE A 15 3.654 21.432 8.650 1.00 60.23 H new ATOM 0 HD11 ILE A 15 4.785 24.838 9.634 1.00 23.02 H new ATOM 0 HD12 ILE A 15 4.791 23.169 9.018 1.00 23.02 H new ATOM 0 HD13 ILE A 15 3.916 24.441 8.133 1.00 23.02 H new ATOM 234 N ARG A 16 -0.683 22.582 7.564 1.00 53.44 N ATOM 235 CA ARG A 16 -1.816 21.777 7.123 1.00 12.33 C ATOM 236 C ARG A 16 -1.997 21.874 5.611 1.00 21.22 C ATOM 237 O ARG A 16 -2.179 20.863 4.932 1.00 10.24 O ATOM 238 CB ARG A 16 -3.095 22.229 7.830 1.00 35.34 C ATOM 239 CG ARG A 16 -3.024 22.123 9.345 1.00 70.20 C ATOM 240 CD ARG A 16 -4.090 21.184 9.889 1.00 42.14 C ATOM 241 NE ARG A 16 -4.691 21.693 11.119 1.00 72.45 N ATOM 242 CZ ARG A 16 -5.614 22.648 11.145 1.00 22.11 C ATOM 243 NH1 ARG A 16 -6.039 23.195 10.015 1.00 41.12 N ATOM 244 NH2 ARG A 16 -6.113 23.057 12.304 1.00 15.32 N ATOM 0 H ARG A 16 -0.940 23.443 8.047 1.00 53.44 H new ATOM 0 HA ARG A 16 -1.613 20.738 7.381 1.00 12.33 H new ATOM 0 HB2 ARG A 16 -3.305 23.263 7.556 1.00 35.34 H new ATOM 0 HB3 ARG A 16 -3.930 21.628 7.471 1.00 35.34 H new ATOM 0 HG2 ARG A 16 -2.038 21.765 9.640 1.00 70.20 H new ATOM 0 HG3 ARG A 16 -3.149 23.112 9.786 1.00 70.20 H new ATOM 0 HD2 ARG A 16 -4.867 21.043 9.137 1.00 42.14 H new ATOM 0 HD3 ARG A 16 -3.649 20.206 10.079 1.00 42.14 H new ATOM 0 HE ARG A 16 -4.385 21.293 12.006 1.00 72.45 H new ATOM 0 HH11 ARG A 16 -5.657 22.883 9.122 1.00 41.12 H new ATOM 0 HH12 ARG A 16 -6.748 23.928 10.038 1.00 41.12 H new ATOM 0 HH21 ARG A 16 -5.788 22.638 13.175 1.00 15.32 H new ATOM 0 HH22 ARG A 16 -6.822 23.790 12.324 1.00 15.32 H new ATOM 258 N TRP A 17 -1.946 23.095 5.092 1.00 63.14 N ATOM 259 CA TRP A 17 -2.104 23.323 3.660 1.00 53.22 C ATOM 260 C TRP A 17 -1.098 22.501 2.863 1.00 42.04 C ATOM 261 O TRP A 17 -1.476 21.679 2.027 1.00 5.34 O ATOM 262 CB TRP A 17 -1.937 24.809 3.338 1.00 43.11 C ATOM 263 CG TRP A 17 -1.650 25.075 1.891 1.00 64.30 C ATOM 264 CD1 TRP A 17 -2.533 24.995 0.852 1.00 24.12 C ATOM 265 CD2 TRP A 17 -0.393 25.461 1.323 1.00 32.25 C ATOM 266 NE1 TRP A 17 -1.901 25.308 -0.327 1.00 44.20 N ATOM 267 CE2 TRP A 17 -0.588 25.599 -0.065 1.00 21.42 C ATOM 268 CE3 TRP A 17 0.877 25.706 1.853 1.00 73.41 C ATOM 269 CZ2 TRP A 17 0.441 25.969 -0.927 1.00 75.33 C ATOM 270 CZ3 TRP A 17 1.896 26.073 0.996 1.00 64.54 C ATOM 271 CH2 TRP A 17 1.674 26.202 -0.382 1.00 14.02 C ATOM 0 H TRP A 17 -1.797 23.942 5.640 1.00 63.14 H new ATOM 0 HA TRP A 17 -3.108 23.007 3.376 1.00 53.22 H new ATOM 0 HB2 TRP A 17 -2.845 25.340 3.624 1.00 43.11 H new ATOM 0 HB3 TRP A 17 -1.126 25.215 3.942 1.00 43.11 H new ATOM 0 HD1 TRP A 17 -3.575 24.725 0.944 1.00 24.12 H new ATOM 0 HE1 TRP A 17 -2.338 25.322 -1.248 1.00 44.20 H new ATOM 0 HE3 TRP A 17 1.058 25.610 2.913 1.00 73.41 H new ATOM 0 HZ2 TRP A 17 0.272 26.069 -1.989 1.00 75.33 H new ATOM 0 HZ3 TRP A 17 2.881 26.264 1.395 1.00 64.54 H new ATOM 0 HH2 TRP A 17 2.492 26.491 -1.026 1.00 14.02 H new ATOM 282 N VAL A 18 0.185 22.727 3.126 1.00 44.23 N ATOM 283 CA VAL A 18 1.246 22.006 2.433 1.00 25.32 C ATOM 284 C VAL A 18 0.974 20.506 2.422 1.00 25.32 C ATOM 285 O VAL A 18 1.163 19.837 1.405 1.00 24.43 O ATOM 286 CB VAL A 18 2.618 22.263 3.085 1.00 21.11 C ATOM 287 CG1 VAL A 18 3.123 23.655 2.736 1.00 72.40 C ATOM 288 CG2 VAL A 18 2.533 22.080 4.593 1.00 45.11 C ATOM 0 H VAL A 18 0.515 23.404 3.814 1.00 44.23 H new ATOM 0 HA VAL A 18 1.264 22.377 1.408 1.00 25.32 H new ATOM 0 HB VAL A 18 3.329 21.536 2.693 1.00 21.11 H new ATOM 0 HG11 VAL A 18 4.093 23.818 3.205 1.00 72.40 H new ATOM 0 HG12 VAL A 18 3.223 23.745 1.654 1.00 72.40 H new ATOM 0 HG13 VAL A 18 2.415 24.400 3.098 1.00 72.40 H new ATOM 0 HG21 VAL A 18 3.511 22.265 5.038 1.00 45.11 H new ATOM 0 HG22 VAL A 18 1.808 22.782 5.004 1.00 45.11 H new ATOM 0 HG23 VAL A 18 2.219 21.061 4.819 1.00 45.11 H new ATOM 298 N LEU A 19 0.529 19.983 3.559 1.00 24.52 N ATOM 299 CA LEU A 19 0.230 18.560 3.681 1.00 20.04 C ATOM 300 C LEU A 19 -0.803 18.130 2.645 1.00 60.13 C ATOM 301 O LEU A 19 -0.542 17.253 1.822 1.00 41.23 O ATOM 302 CB LEU A 19 -0.281 18.245 5.088 1.00 10.24 C ATOM 303 CG LEU A 19 0.777 17.818 6.107 1.00 54.23 C ATOM 304 CD1 LEU A 19 0.145 17.601 7.473 1.00 61.41 C ATOM 305 CD2 LEU A 19 1.489 16.557 5.639 1.00 14.13 C ATOM 0 H LEU A 19 0.367 20.522 4.409 1.00 24.52 H new ATOM 0 HA LEU A 19 1.150 18.004 3.502 1.00 20.04 H new ATOM 0 HB2 LEU A 19 -0.792 19.127 5.473 1.00 10.24 H new ATOM 0 HB3 LEU A 19 -1.025 17.452 5.013 1.00 10.24 H new ATOM 0 HG LEU A 19 1.514 18.616 6.194 1.00 54.23 H new ATOM 0 HD11 LEU A 19 0.913 17.298 8.185 1.00 61.41 H new ATOM 0 HD12 LEU A 19 -0.318 18.528 7.811 1.00 61.41 H new ATOM 0 HD13 LEU A 19 -0.614 16.821 7.403 1.00 61.41 H new ATOM 0 HD21 LEU A 19 2.238 16.267 6.376 1.00 14.13 H new ATOM 0 HD22 LEU A 19 0.764 15.751 5.523 1.00 14.13 H new ATOM 0 HD23 LEU A 19 1.976 16.748 4.682 1.00 14.13 H new ATOM 317 N GLU A 20 -1.975 18.755 2.690 1.00 35.25 N ATOM 318 CA GLU A 20 -3.047 18.437 1.754 1.00 62.22 C ATOM 319 C GLU A 20 -2.547 18.499 0.313 1.00 4.45 C ATOM 320 O GLU A 20 -2.913 17.670 -0.519 1.00 34.43 O ATOM 321 CB GLU A 20 -4.220 19.401 1.940 1.00 11.11 C ATOM 322 CG GLU A 20 -5.325 19.221 0.912 1.00 2.44 C ATOM 323 CD GLU A 20 -6.649 19.800 1.372 1.00 41.10 C ATOM 324 OE1 GLU A 20 -6.633 20.737 2.197 1.00 32.24 O ATOM 325 OE2 GLU A 20 -7.701 19.316 0.905 1.00 32.42 O ATOM 0 H GLU A 20 -2.206 19.484 3.364 1.00 35.25 H new ATOM 0 HA GLU A 20 -3.385 17.421 1.960 1.00 62.22 H new ATOM 0 HB2 GLU A 20 -4.637 19.264 2.937 1.00 11.11 H new ATOM 0 HB3 GLU A 20 -3.850 20.425 1.888 1.00 11.11 H new ATOM 0 HG2 GLU A 20 -5.029 19.699 -0.022 1.00 2.44 H new ATOM 0 HG3 GLU A 20 -5.451 18.159 0.701 1.00 2.44 H new ATOM 332 N ARG A 21 -1.708 19.490 0.027 1.00 24.52 N ATOM 333 CA ARG A 21 -1.158 19.662 -1.312 1.00 52.22 C ATOM 334 C ARG A 21 -0.415 18.407 -1.761 1.00 1.51 C ATOM 335 O ARG A 21 -0.346 18.108 -2.952 1.00 64.24 O ATOM 336 CB ARG A 21 -0.216 20.867 -1.349 1.00 22.35 C ATOM 337 CG ARG A 21 -0.730 22.017 -2.199 1.00 63.32 C ATOM 338 CD ARG A 21 0.164 22.260 -3.405 1.00 42.41 C ATOM 339 NE ARG A 21 -0.383 23.281 -4.295 1.00 32.12 N ATOM 340 CZ ARG A 21 -1.398 23.065 -5.125 1.00 25.21 C ATOM 341 NH1 ARG A 21 -1.972 21.871 -5.178 1.00 50.13 N ATOM 342 NH2 ARG A 21 -1.839 24.044 -5.904 1.00 15.15 N ATOM 0 H ARG A 21 -1.395 20.185 0.704 1.00 24.52 H new ATOM 0 HA ARG A 21 -1.987 19.837 -1.998 1.00 52.22 H new ATOM 0 HB2 ARG A 21 -0.055 21.223 -0.331 1.00 22.35 H new ATOM 0 HB3 ARG A 21 0.753 20.548 -1.732 1.00 22.35 H new ATOM 0 HG2 ARG A 21 -1.744 21.799 -2.534 1.00 63.32 H new ATOM 0 HG3 ARG A 21 -0.782 22.923 -1.595 1.00 63.32 H new ATOM 0 HD2 ARG A 21 1.154 22.567 -3.067 1.00 42.41 H new ATOM 0 HD3 ARG A 21 0.290 21.328 -3.956 1.00 42.41 H new ATOM 0 HE ARG A 21 0.037 24.210 -4.278 1.00 32.12 H new ATOM 0 HH11 ARG A 21 -1.635 21.116 -4.581 1.00 50.13 H new ATOM 0 HH12 ARG A 21 -2.751 21.707 -5.816 1.00 50.13 H new ATOM 0 HH21 ARG A 21 -1.399 24.963 -5.866 1.00 15.15 H new ATOM 0 HH22 ARG A 21 -2.618 23.877 -6.541 1.00 15.15 H new ATOM 356 N ALA A 22 0.140 17.678 -0.798 1.00 12.50 N ATOM 357 CA ALA A 22 0.876 16.456 -1.094 1.00 25.14 C ATOM 358 C ALA A 22 -0.055 15.249 -1.133 1.00 53.52 C ATOM 359 O ALA A 22 -0.137 14.548 -2.142 1.00 60.04 O ATOM 360 CB ALA A 22 1.977 16.241 -0.065 1.00 44.55 C ATOM 0 H ALA A 22 0.094 17.913 0.193 1.00 12.50 H new ATOM 0 HA ALA A 22 1.329 16.565 -2.079 1.00 25.14 H new ATOM 0 HB1 ALA A 22 2.519 15.324 -0.298 1.00 44.55 H new ATOM 0 HB2 ALA A 22 2.666 17.086 -0.087 1.00 44.55 H new ATOM 0 HB3 ALA A 22 1.536 16.159 0.928 1.00 44.55 H new ATOM 366 N LEU A 23 -0.756 15.013 -0.030 1.00 22.44 N ATOM 367 CA LEU A 23 -1.682 13.889 0.062 1.00 13.51 C ATOM 368 C LEU A 23 -2.703 13.931 -1.071 1.00 5.20 C ATOM 369 O LEU A 23 -2.833 12.978 -1.838 1.00 25.52 O ATOM 370 CB LEU A 23 -2.402 13.905 1.412 1.00 5.11 C ATOM 371 CG LEU A 23 -1.527 14.185 2.635 1.00 33.51 C ATOM 372 CD1 LEU A 23 -2.361 14.146 3.907 1.00 45.12 C ATOM 373 CD2 LEU A 23 -0.384 13.183 2.714 1.00 53.03 C ATOM 0 H LEU A 23 -0.701 15.584 0.813 1.00 22.44 H new ATOM 0 HA LEU A 23 -1.106 12.968 -0.025 1.00 13.51 H new ATOM 0 HB2 LEU A 23 -3.189 14.658 1.373 1.00 5.11 H new ATOM 0 HB3 LEU A 23 -2.890 12.941 1.552 1.00 5.11 H new ATOM 0 HG LEU A 23 -1.102 15.183 2.533 1.00 33.51 H new ATOM 0 HD11 LEU A 23 -1.722 14.347 4.767 1.00 45.12 H new ATOM 0 HD12 LEU A 23 -3.144 14.902 3.852 1.00 45.12 H new ATOM 0 HD13 LEU A 23 -2.815 13.161 4.015 1.00 45.12 H new ATOM 0 HD21 LEU A 23 0.228 13.398 3.590 1.00 53.03 H new ATOM 0 HD22 LEU A 23 -0.789 12.174 2.793 1.00 53.03 H new ATOM 0 HD23 LEU A 23 0.229 13.259 1.816 1.00 53.03 H new ATOM 385 N ALA A 24 -3.423 15.044 -1.171 1.00 63.32 N ATOM 386 CA ALA A 24 -4.428 15.212 -2.213 1.00 71.52 C ATOM 387 C ALA A 24 -3.821 15.014 -3.598 1.00 55.53 C ATOM 388 O ALA A 24 -4.525 14.692 -4.555 1.00 0.24 O ATOM 389 CB ALA A 24 -5.073 16.586 -2.108 1.00 21.41 C ATOM 0 H ALA A 24 -3.329 15.842 -0.543 1.00 63.32 H new ATOM 0 HA ALA A 24 -5.195 14.451 -2.069 1.00 71.52 H new ATOM 0 HB1 ALA A 24 -5.822 16.697 -2.892 1.00 21.41 H new ATOM 0 HB2 ALA A 24 -5.550 16.690 -1.134 1.00 21.41 H new ATOM 0 HB3 ALA A 24 -4.310 17.356 -2.223 1.00 21.41 H new ATOM 395 N GLY A 25 -2.510 15.211 -3.699 1.00 12.23 N ATOM 396 CA GLY A 25 -1.831 15.051 -4.971 1.00 55.24 C ATOM 397 C GLY A 25 -1.425 13.615 -5.235 1.00 61.01 C ATOM 398 O GLY A 25 -1.116 13.249 -6.369 1.00 23.45 O ATOM 0 H GLY A 25 -1.906 15.479 -2.922 1.00 12.23 H new ATOM 0 HA2 GLY A 25 -2.484 15.394 -5.774 1.00 55.24 H new ATOM 0 HA3 GLY A 25 -0.945 15.685 -4.988 1.00 55.24 H new ATOM 402 N ALA A 26 -1.423 12.800 -4.186 1.00 34.25 N ATOM 403 CA ALA A 26 -1.052 11.396 -4.309 1.00 61.23 C ATOM 404 C ALA A 26 -2.239 10.486 -4.012 1.00 23.40 C ATOM 405 O ALA A 26 -2.100 9.264 -3.965 1.00 12.14 O ATOM 406 CB ALA A 26 0.109 11.073 -3.380 1.00 50.12 C ATOM 0 H ALA A 26 -1.674 13.088 -3.240 1.00 34.25 H new ATOM 0 HA ALA A 26 -0.740 11.218 -5.338 1.00 61.23 H new ATOM 0 HB1 ALA A 26 0.375 10.021 -3.483 1.00 50.12 H new ATOM 0 HB2 ALA A 26 0.967 11.692 -3.642 1.00 50.12 H new ATOM 0 HB3 ALA A 26 -0.183 11.275 -2.349 1.00 50.12 H new ATOM 412 N GLY A 27 -3.406 11.089 -3.811 1.00 53.44 N ATOM 413 CA GLY A 27 -4.600 10.318 -3.520 1.00 72.41 C ATOM 414 C GLY A 27 -4.624 9.803 -2.095 1.00 34.24 C ATOM 415 O GLY A 27 -5.502 9.022 -1.723 1.00 50.41 O ATOM 0 H GLY A 27 -3.546 12.099 -3.845 1.00 53.44 H new ATOM 0 HA2 GLY A 27 -5.480 10.937 -3.694 1.00 72.41 H new ATOM 0 HA3 GLY A 27 -4.662 9.475 -4.209 1.00 72.41 H new ATOM 419 N LEU A 28 -3.658 10.238 -1.294 1.00 12.33 N ATOM 420 CA LEU A 28 -3.571 9.815 0.100 1.00 44.23 C ATOM 421 C LEU A 28 -4.650 10.488 0.942 1.00 45.40 C ATOM 422 O LEU A 28 -5.052 11.619 0.667 1.00 14.21 O ATOM 423 CB LEU A 28 -2.188 10.141 0.666 1.00 3.43 C ATOM 424 CG LEU A 28 -0.999 9.823 -0.241 1.00 25.14 C ATOM 425 CD1 LEU A 28 0.250 10.543 0.244 1.00 23.41 C ATOM 426 CD2 LEU A 28 -0.761 8.321 -0.301 1.00 72.00 C ATOM 0 H LEU A 28 -2.924 10.883 -1.585 1.00 12.33 H new ATOM 0 HA LEU A 28 -3.728 8.737 0.138 1.00 44.23 H new ATOM 0 HB2 LEU A 28 -2.159 11.203 0.911 1.00 3.43 H new ATOM 0 HB3 LEU A 28 -2.062 9.595 1.601 1.00 3.43 H new ATOM 0 HG LEU A 28 -1.229 10.175 -1.247 1.00 25.14 H new ATOM 0 HD11 LEU A 28 1.086 10.305 -0.414 1.00 23.41 H new ATOM 0 HD12 LEU A 28 0.076 11.619 0.235 1.00 23.41 H new ATOM 0 HD13 LEU A 28 0.484 10.222 1.259 1.00 23.41 H new ATOM 0 HD21 LEU A 28 0.089 8.113 -0.951 1.00 72.00 H new ATOM 0 HD22 LEU A 28 -0.552 7.945 0.701 1.00 72.00 H new ATOM 0 HD23 LEU A 28 -1.649 7.827 -0.696 1.00 72.00 H new ATOM 438 N THR A 29 -5.113 9.787 1.972 1.00 72.44 N ATOM 439 CA THR A 29 -6.144 10.316 2.855 1.00 13.11 C ATOM 440 C THR A 29 -5.632 11.518 3.640 1.00 43.32 C ATOM 441 O THR A 29 -4.736 11.390 4.475 1.00 10.04 O ATOM 442 CB THR A 29 -6.640 9.245 3.845 1.00 53.03 C ATOM 443 OG1 THR A 29 -6.863 8.009 3.157 1.00 31.35 O ATOM 444 CG2 THR A 29 -7.925 9.691 4.526 1.00 53.22 C ATOM 0 H THR A 29 -4.790 8.851 2.215 1.00 72.44 H new ATOM 0 HA THR A 29 -6.974 10.626 2.220 1.00 13.11 H new ATOM 0 HB THR A 29 -5.874 9.104 4.607 1.00 53.03 H new ATOM 0 HG1 THR A 29 -7.176 7.333 3.793 1.00 31.35 H new ATOM 0 HG21 THR A 29 -8.256 8.919 5.220 1.00 53.22 H new ATOM 0 HG22 THR A 29 -7.745 10.617 5.072 1.00 53.22 H new ATOM 0 HG23 THR A 29 -8.696 9.858 3.774 1.00 53.22 H new ATOM 452 N CYS A 30 -6.205 12.685 3.367 1.00 41.04 N ATOM 453 CA CYS A 30 -5.805 13.911 4.048 1.00 53.31 C ATOM 454 C CYS A 30 -6.808 14.280 5.136 1.00 13.30 C ATOM 455 O CYS A 30 -7.934 14.688 4.847 1.00 42.04 O ATOM 456 CB CYS A 30 -5.678 15.058 3.045 1.00 42.55 C ATOM 457 SG CYS A 30 -5.340 16.666 3.800 1.00 13.02 S ATOM 0 H CYS A 30 -6.948 12.808 2.679 1.00 41.04 H new ATOM 0 HA CYS A 30 -4.836 13.738 4.516 1.00 53.31 H new ATOM 0 HB2 CYS A 30 -4.879 14.824 2.341 1.00 42.55 H new ATOM 0 HB3 CYS A 30 -6.601 15.126 2.469 1.00 42.55 H new ATOM 0 HG CYS A 30 -6.210 16.896 4.738 1.00 13.02 H new ATOM 463 N THR A 31 -6.394 14.133 6.391 1.00 44.24 N ATOM 464 CA THR A 31 -7.256 14.448 7.523 1.00 50.05 C ATOM 465 C THR A 31 -6.455 15.040 8.676 1.00 23.44 C ATOM 466 O THR A 31 -5.568 14.388 9.230 1.00 73.23 O ATOM 467 CB THR A 31 -8.007 13.199 8.021 1.00 21.12 C ATOM 468 OG1 THR A 31 -8.778 12.633 6.956 1.00 54.23 O ATOM 469 CG2 THR A 31 -8.921 13.546 9.187 1.00 44.22 C ATOM 0 H THR A 31 -5.466 13.797 6.649 1.00 44.24 H new ATOM 0 HA THR A 31 -7.981 15.183 7.174 1.00 50.05 H new ATOM 0 HB THR A 31 -7.270 12.471 8.361 1.00 21.12 H new ATOM 0 HG1 THR A 31 -9.251 11.839 7.281 1.00 54.23 H new ATOM 0 HG21 THR A 31 -9.441 12.648 9.522 1.00 44.22 H new ATOM 0 HG22 THR A 31 -8.327 13.949 10.008 1.00 44.22 H new ATOM 0 HG23 THR A 31 -9.651 14.290 8.868 1.00 44.22 H new ATOM 477 N THR A 32 -6.772 16.279 9.037 1.00 43.52 N ATOM 478 CA THR A 32 -6.081 16.959 10.125 1.00 2.41 C ATOM 479 C THR A 32 -7.071 17.518 11.141 1.00 62.20 C ATOM 480 O THR A 32 -8.275 17.566 10.888 1.00 44.53 O ATOM 481 CB THR A 32 -5.199 18.108 9.600 1.00 22.20 C ATOM 482 OG1 THR A 32 -6.009 19.082 8.934 1.00 41.45 O ATOM 483 CG2 THR A 32 -4.139 17.582 8.644 1.00 41.34 C ATOM 0 H THR A 32 -7.504 16.833 8.591 1.00 43.52 H new ATOM 0 HA THR A 32 -5.447 16.216 10.609 1.00 2.41 H new ATOM 0 HB THR A 32 -4.700 18.572 10.451 1.00 22.20 H new ATOM 0 HG1 THR A 32 -5.622 19.284 8.056 1.00 41.45 H new ATOM 0 HG21 THR A 32 -3.528 18.411 8.286 1.00 41.34 H new ATOM 0 HG22 THR A 32 -3.506 16.862 9.163 1.00 41.34 H new ATOM 0 HG23 THR A 32 -4.622 17.095 7.797 1.00 41.34 H new ATOM 491 N PHE A 33 -6.556 17.939 12.292 1.00 54.14 N ATOM 492 CA PHE A 33 -7.396 18.494 13.347 1.00 51.54 C ATOM 493 C PHE A 33 -6.644 19.564 14.134 1.00 72.31 C ATOM 494 O PHE A 33 -5.582 20.023 13.717 1.00 44.20 O ATOM 495 CB PHE A 33 -7.866 17.386 14.291 1.00 64.34 C ATOM 496 CG PHE A 33 -8.465 16.207 13.579 1.00 31.41 C ATOM 497 CD1 PHE A 33 -7.658 15.194 13.086 1.00 2.31 C ATOM 498 CD2 PHE A 33 -9.836 16.111 13.403 1.00 71.21 C ATOM 499 CE1 PHE A 33 -8.206 14.108 12.431 1.00 32.42 C ATOM 500 CE2 PHE A 33 -10.390 15.026 12.749 1.00 13.42 C ATOM 501 CZ PHE A 33 -9.574 14.024 12.262 1.00 53.33 C ATOM 0 H PHE A 33 -5.562 17.906 12.517 1.00 54.14 H new ATOM 0 HA PHE A 33 -8.266 18.955 12.879 1.00 51.54 H new ATOM 0 HB2 PHE A 33 -7.021 17.048 14.890 1.00 64.34 H new ATOM 0 HB3 PHE A 33 -8.603 17.796 14.982 1.00 64.34 H new ATOM 0 HD1 PHE A 33 -6.587 15.254 13.215 1.00 2.31 H new ATOM 0 HD2 PHE A 33 -10.479 16.892 13.781 1.00 71.21 H new ATOM 0 HE1 PHE A 33 -7.565 13.326 12.052 1.00 32.42 H new ATOM 0 HE2 PHE A 33 -11.460 14.962 12.619 1.00 13.42 H new ATOM 0 HZ PHE A 33 -10.005 13.176 11.750 1.00 53.33 H new ATOM 511 N GLU A 34 -7.205 19.955 15.274 1.00 71.30 N ATOM 512 CA GLU A 34 -6.588 20.971 16.119 1.00 74.22 C ATOM 513 C GLU A 34 -5.581 20.343 17.078 1.00 34.21 C ATOM 514 O GLU A 34 -4.390 20.644 17.028 1.00 2.33 O ATOM 515 CB GLU A 34 -7.659 21.727 16.909 1.00 44.13 C ATOM 516 CG GLU A 34 -8.534 22.620 16.046 1.00 11.51 C ATOM 517 CD GLU A 34 -10.000 22.237 16.109 1.00 1.34 C ATOM 518 OE1 GLU A 34 -10.646 22.532 17.137 1.00 25.23 O ATOM 519 OE2 GLU A 34 -10.501 21.643 15.132 1.00 12.23 O ATOM 0 H GLU A 34 -8.085 19.584 15.633 1.00 71.30 H new ATOM 0 HA GLU A 34 -6.059 21.672 15.473 1.00 74.22 H new ATOM 0 HB2 GLU A 34 -8.291 21.007 17.429 1.00 44.13 H new ATOM 0 HB3 GLU A 34 -7.174 22.336 17.672 1.00 44.13 H new ATOM 0 HG2 GLU A 34 -8.419 23.655 16.367 1.00 11.51 H new ATOM 0 HG3 GLU A 34 -8.193 22.567 15.012 1.00 11.51 H new ATOM 526 N ASN A 35 -6.071 19.468 17.951 1.00 4.21 N ATOM 527 CA ASN A 35 -5.214 18.798 18.923 1.00 14.12 C ATOM 528 C ASN A 35 -5.542 17.310 19.002 1.00 11.11 C ATOM 529 O ASN A 35 -6.579 16.865 18.513 1.00 54.42 O ATOM 530 CB ASN A 35 -5.374 19.441 20.303 1.00 65.34 C ATOM 531 CG ASN A 35 -6.788 19.926 20.555 1.00 71.51 C ATOM 532 OD1 ASN A 35 -7.027 21.123 20.710 1.00 13.12 O ATOM 533 ND2 ASN A 35 -7.734 18.994 20.597 1.00 2.21 N ATOM 0 H ASN A 35 -7.055 19.207 18.005 1.00 4.21 H new ATOM 0 HA ASN A 35 -4.180 18.907 18.596 1.00 14.12 H new ATOM 0 HB2 ASN A 35 -5.098 18.719 21.071 1.00 65.34 H new ATOM 0 HB3 ASN A 35 -4.684 20.280 20.392 1.00 65.34 H new ATOM 0 HD21 ASN A 35 -8.705 19.260 20.763 1.00 2.21 H new ATOM 0 HD22 ASN A 35 -7.490 18.013 20.463 1.00 2.21 H new ATOM 540 N GLY A 36 -4.649 16.545 19.623 1.00 51.11 N ATOM 541 CA GLY A 36 -4.861 15.116 19.755 1.00 34.44 C ATOM 542 C GLY A 36 -6.266 14.778 20.213 1.00 15.01 C ATOM 543 O GLY A 36 -6.825 13.755 19.820 1.00 32.23 O ATOM 0 H GLY A 36 -3.783 16.890 20.037 1.00 51.11 H new ATOM 0 HA2 GLY A 36 -4.669 14.633 18.797 1.00 34.44 H new ATOM 0 HA3 GLY A 36 -4.143 14.709 20.467 1.00 34.44 H new ATOM 547 N ASN A 37 -6.838 15.640 21.048 1.00 74.04 N ATOM 548 CA ASN A 37 -8.187 15.427 21.561 1.00 24.53 C ATOM 549 C ASN A 37 -9.170 15.178 20.422 1.00 61.43 C ATOM 550 O ASN A 37 -9.973 14.247 20.475 1.00 55.31 O ATOM 551 CB ASN A 37 -8.638 16.634 22.385 1.00 51.32 C ATOM 552 CG ASN A 37 -9.268 16.232 23.704 1.00 35.40 C ATOM 553 OD1 ASN A 37 -8.656 15.530 24.509 1.00 62.22 O ATOM 554 ND2 ASN A 37 -10.499 16.675 23.931 1.00 13.23 N ATOM 0 H ASN A 37 -6.389 16.492 21.384 1.00 74.04 H new ATOM 0 HA ASN A 37 -8.170 14.545 22.201 1.00 24.53 H new ATOM 0 HB2 ASN A 37 -7.781 17.280 22.577 1.00 51.32 H new ATOM 0 HB3 ASN A 37 -9.354 17.218 21.807 1.00 51.32 H new ATOM 0 HD21 ASN A 37 -10.975 16.436 24.801 1.00 13.23 H new ATOM 0 HD22 ASN A 37 -10.969 17.255 23.235 1.00 13.23 H new ATOM 561 N GLU A 38 -9.099 16.016 19.392 1.00 23.31 N ATOM 562 CA GLU A 38 -9.983 15.886 18.240 1.00 50.00 C ATOM 563 C GLU A 38 -9.731 14.572 17.506 1.00 41.33 C ATOM 564 O GLU A 38 -10.661 13.814 17.229 1.00 4.22 O ATOM 565 CB GLU A 38 -9.786 17.064 17.283 1.00 34.31 C ATOM 566 CG GLU A 38 -10.816 18.168 17.457 1.00 23.21 C ATOM 567 CD GLU A 38 -11.787 18.248 16.296 1.00 51.15 C ATOM 568 OE1 GLU A 38 -12.108 17.190 15.716 1.00 53.03 O ATOM 569 OE2 GLU A 38 -12.226 19.370 15.967 1.00 53.22 O ATOM 0 H GLU A 38 -8.439 16.791 19.332 1.00 23.31 H new ATOM 0 HA GLU A 38 -11.011 15.888 18.601 1.00 50.00 H new ATOM 0 HB2 GLU A 38 -8.790 17.481 17.433 1.00 34.31 H new ATOM 0 HB3 GLU A 38 -9.827 16.699 16.257 1.00 34.31 H new ATOM 0 HG2 GLU A 38 -11.372 17.999 18.379 1.00 23.21 H new ATOM 0 HG3 GLU A 38 -10.304 19.124 17.564 1.00 23.21 H new ATOM 576 N VAL A 39 -8.466 14.310 17.192 1.00 71.21 N ATOM 577 CA VAL A 39 -8.090 13.088 16.490 1.00 11.33 C ATOM 578 C VAL A 39 -8.705 11.862 17.154 1.00 32.44 C ATOM 579 O VAL A 39 -9.029 10.878 16.488 1.00 63.42 O ATOM 580 CB VAL A 39 -6.560 12.918 16.440 1.00 51.21 C ATOM 581 CG1 VAL A 39 -6.193 11.486 16.081 1.00 54.43 C ATOM 582 CG2 VAL A 39 -5.948 13.898 15.451 1.00 41.35 C ATOM 0 H VAL A 39 -7.684 14.927 17.413 1.00 71.21 H new ATOM 0 HA VAL A 39 -8.472 13.177 15.473 1.00 11.33 H new ATOM 0 HB VAL A 39 -6.155 13.134 17.429 1.00 51.21 H new ATOM 0 HG11 VAL A 39 -5.108 11.385 16.050 1.00 54.43 H new ATOM 0 HG12 VAL A 39 -6.600 10.807 16.831 1.00 54.43 H new ATOM 0 HG13 VAL A 39 -6.608 11.238 15.104 1.00 54.43 H new ATOM 0 HG21 VAL A 39 -4.866 13.764 15.428 1.00 41.35 H new ATOM 0 HG22 VAL A 39 -6.357 13.715 14.457 1.00 41.35 H new ATOM 0 HG23 VAL A 39 -6.181 14.918 15.758 1.00 41.35 H new ATOM 592 N LEU A 40 -8.865 11.926 18.472 1.00 42.54 N ATOM 593 CA LEU A 40 -9.442 10.821 19.228 1.00 74.33 C ATOM 594 C LEU A 40 -10.767 10.376 18.616 1.00 63.54 C ATOM 595 O LEU A 40 -10.963 9.195 18.328 1.00 13.22 O ATOM 596 CB LEU A 40 -9.654 11.230 20.686 1.00 24.35 C ATOM 597 CG LEU A 40 -8.416 11.737 21.427 1.00 22.23 C ATOM 598 CD1 LEU A 40 -8.557 11.506 22.924 1.00 73.53 C ATOM 599 CD2 LEU A 40 -7.161 11.058 20.897 1.00 34.20 C ATOM 0 H LEU A 40 -8.603 12.732 19.039 1.00 42.54 H new ATOM 0 HA LEU A 40 -8.745 9.984 19.189 1.00 74.33 H new ATOM 0 HB2 LEU A 40 -10.416 12.009 20.717 1.00 24.35 H new ATOM 0 HB3 LEU A 40 -10.052 10.373 21.229 1.00 24.35 H new ATOM 0 HG LEU A 40 -8.326 12.809 21.252 1.00 22.23 H new ATOM 0 HD11 LEU A 40 -7.667 11.873 23.434 1.00 73.53 H new ATOM 0 HD12 LEU A 40 -9.433 12.039 23.294 1.00 73.53 H new ATOM 0 HD13 LEU A 40 -8.673 10.440 23.118 1.00 73.53 H new ATOM 0 HD21 LEU A 40 -6.290 11.431 21.436 1.00 34.20 H new ATOM 0 HD22 LEU A 40 -7.242 9.981 21.040 1.00 34.20 H new ATOM 0 HD23 LEU A 40 -7.051 11.275 19.835 1.00 34.20 H new ATOM 611 N ALA A 41 -11.671 11.329 18.417 1.00 31.12 N ATOM 612 CA ALA A 41 -12.975 11.036 17.835 1.00 21.12 C ATOM 613 C ALA A 41 -12.839 10.146 16.604 1.00 12.31 C ATOM 614 O ALA A 41 -13.653 9.251 16.381 1.00 73.10 O ATOM 615 CB ALA A 41 -13.696 12.327 17.479 1.00 51.33 C ATOM 0 H ALA A 41 -11.524 12.311 18.650 1.00 31.12 H new ATOM 0 HA ALA A 41 -13.564 10.497 18.577 1.00 21.12 H new ATOM 0 HB1 ALA A 41 -14.668 12.093 17.045 1.00 51.33 H new ATOM 0 HB2 ALA A 41 -13.835 12.926 18.379 1.00 51.33 H new ATOM 0 HB3 ALA A 41 -13.102 12.888 16.757 1.00 51.33 H new ATOM 621 N ALA A 42 -11.806 10.400 15.808 1.00 62.32 N ATOM 622 CA ALA A 42 -11.563 9.621 14.600 1.00 72.31 C ATOM 623 C ALA A 42 -10.785 8.348 14.915 1.00 63.24 C ATOM 624 O ALA A 42 -10.978 7.315 14.272 1.00 64.11 O ATOM 625 CB ALA A 42 -10.816 10.458 13.573 1.00 41.41 C ATOM 0 H ALA A 42 -11.124 11.139 15.978 1.00 62.32 H new ATOM 0 HA ALA A 42 -12.528 9.332 14.184 1.00 72.31 H new ATOM 0 HB1 ALA A 42 -10.642 9.863 12.676 1.00 41.41 H new ATOM 0 HB2 ALA A 42 -11.410 11.335 13.317 1.00 41.41 H new ATOM 0 HB3 ALA A 42 -9.860 10.776 13.989 1.00 41.41 H new ATOM 631 N LEU A 43 -9.904 8.428 15.906 1.00 14.41 N ATOM 632 CA LEU A 43 -9.095 7.282 16.306 1.00 14.21 C ATOM 633 C LEU A 43 -9.974 6.066 16.584 1.00 5.54 C ATOM 634 O LEU A 43 -9.736 4.982 16.053 1.00 55.44 O ATOM 635 CB LEU A 43 -8.270 7.624 17.547 1.00 4.15 C ATOM 636 CG LEU A 43 -6.948 8.350 17.295 1.00 2.33 C ATOM 637 CD1 LEU A 43 -6.425 8.969 18.582 1.00 0.52 C ATOM 638 CD2 LEU A 43 -5.920 7.397 16.704 1.00 62.11 C ATOM 0 H LEU A 43 -9.732 9.275 16.448 1.00 14.41 H new ATOM 0 HA LEU A 43 -8.421 7.040 15.485 1.00 14.21 H new ATOM 0 HB2 LEU A 43 -8.881 8.241 18.206 1.00 4.15 H new ATOM 0 HB3 LEU A 43 -8.057 6.699 18.083 1.00 4.15 H new ATOM 0 HG LEU A 43 -7.127 9.151 16.577 1.00 2.33 H new ATOM 0 HD11 LEU A 43 -5.484 9.481 18.383 1.00 0.52 H new ATOM 0 HD12 LEU A 43 -7.154 9.684 18.964 1.00 0.52 H new ATOM 0 HD13 LEU A 43 -6.262 8.186 19.323 1.00 0.52 H new ATOM 0 HD21 LEU A 43 -4.986 7.931 16.531 1.00 62.11 H new ATOM 0 HD22 LEU A 43 -5.745 6.575 17.398 1.00 62.11 H new ATOM 0 HD23 LEU A 43 -6.292 7.001 15.759 1.00 62.11 H new ATOM 650 N ALA A 44 -10.990 6.256 17.420 1.00 63.22 N ATOM 651 CA ALA A 44 -11.906 5.176 17.765 1.00 1.13 C ATOM 652 C ALA A 44 -12.501 4.539 16.514 1.00 44.21 C ATOM 653 O ALA A 44 -12.534 3.316 16.385 1.00 61.55 O ATOM 654 CB ALA A 44 -13.012 5.693 18.673 1.00 20.24 C ATOM 0 H ALA A 44 -11.199 7.147 17.870 1.00 63.22 H new ATOM 0 HA ALA A 44 -11.341 4.410 18.297 1.00 1.13 H new ATOM 0 HB1 ALA A 44 -13.689 4.876 18.923 1.00 20.24 H new ATOM 0 HB2 ALA A 44 -12.574 6.094 19.587 1.00 20.24 H new ATOM 0 HB3 ALA A 44 -13.566 6.479 18.160 1.00 20.24 H new ATOM 660 N SER A 45 -12.970 5.377 15.595 1.00 41.11 N ATOM 661 CA SER A 45 -13.568 4.895 14.355 1.00 1.33 C ATOM 662 C SER A 45 -12.535 4.164 13.502 1.00 14.34 C ATOM 663 O SER A 45 -12.801 3.084 12.974 1.00 11.50 O ATOM 664 CB SER A 45 -14.165 6.061 13.565 1.00 11.44 C ATOM 665 OG SER A 45 -14.819 5.603 12.395 1.00 64.23 O ATOM 0 H SER A 45 -12.948 6.393 15.685 1.00 41.11 H new ATOM 0 HA SER A 45 -14.363 4.195 14.612 1.00 1.33 H new ATOM 0 HB2 SER A 45 -14.872 6.604 14.192 1.00 11.44 H new ATOM 0 HB3 SER A 45 -13.376 6.762 13.293 1.00 11.44 H new ATOM 0 HG SER A 45 -15.193 6.367 11.909 1.00 64.23 H new ATOM 671 N LYS A 46 -11.356 4.761 13.372 1.00 5.32 N ATOM 672 CA LYS A 46 -10.281 4.169 12.585 1.00 25.11 C ATOM 673 C LYS A 46 -8.919 4.656 13.071 1.00 61.35 C ATOM 674 O LYS A 46 -8.806 5.730 13.663 1.00 73.42 O ATOM 675 CB LYS A 46 -10.458 4.510 11.104 1.00 44.02 C ATOM 676 CG LYS A 46 -9.592 3.672 10.179 1.00 2.10 C ATOM 677 CD LYS A 46 -9.757 4.092 8.728 1.00 33.30 C ATOM 678 CE LYS A 46 -9.318 5.531 8.511 1.00 42.54 C ATOM 679 NZ LYS A 46 -10.480 6.459 8.423 1.00 64.25 N ATOM 0 H LYS A 46 -11.120 5.655 13.802 1.00 5.32 H new ATOM 0 HA LYS A 46 -10.326 3.087 12.710 1.00 25.11 H new ATOM 0 HB2 LYS A 46 -11.504 4.374 10.831 1.00 44.02 H new ATOM 0 HB3 LYS A 46 -10.224 5.564 10.952 1.00 44.02 H new ATOM 0 HG2 LYS A 46 -8.546 3.770 10.470 1.00 2.10 H new ATOM 0 HG3 LYS A 46 -9.856 2.620 10.286 1.00 2.10 H new ATOM 0 HD2 LYS A 46 -9.172 3.432 8.088 1.00 33.30 H new ATOM 0 HD3 LYS A 46 -10.800 3.980 8.432 1.00 33.30 H new ATOM 0 HE2 LYS A 46 -8.668 5.840 9.330 1.00 42.54 H new ATOM 0 HE3 LYS A 46 -8.730 5.597 7.595 1.00 42.54 H new ATOM 0 HZ1 LYS A 46 -10.167 7.429 8.631 1.00 64.25 H new ATOM 0 HZ2 LYS A 46 -10.881 6.423 7.464 1.00 64.25 H new ATOM 0 HZ3 LYS A 46 -11.205 6.174 9.112 1.00 64.25 H new ATOM 693 N THR A 47 -7.885 3.860 12.815 1.00 71.22 N ATOM 694 CA THR A 47 -6.531 4.210 13.225 1.00 32.23 C ATOM 695 C THR A 47 -5.685 4.630 12.029 1.00 54.41 C ATOM 696 O THR A 47 -5.703 3.998 10.973 1.00 62.03 O ATOM 697 CB THR A 47 -5.839 3.034 13.941 1.00 54.13 C ATOM 698 OG1 THR A 47 -5.408 2.063 12.981 1.00 23.44 O ATOM 699 CG2 THR A 47 -6.780 2.382 14.943 1.00 63.32 C ATOM 0 H THR A 47 -7.960 2.968 12.325 1.00 71.22 H new ATOM 0 HA THR A 47 -6.617 5.048 13.917 1.00 32.23 H new ATOM 0 HB THR A 47 -4.974 3.422 14.479 1.00 54.13 H new ATOM 0 HG1 THR A 47 -4.968 1.319 13.443 1.00 23.44 H new ATOM 0 HG21 THR A 47 -6.270 1.555 15.436 1.00 63.32 H new ATOM 0 HG22 THR A 47 -7.084 3.117 15.688 1.00 63.32 H new ATOM 0 HG23 THR A 47 -7.662 2.007 14.423 1.00 63.32 H new ATOM 707 N PRO A 48 -4.926 5.723 12.195 1.00 4.22 N ATOM 708 CA PRO A 48 -4.057 6.252 11.139 1.00 33.20 C ATOM 709 C PRO A 48 -2.864 5.344 10.862 1.00 43.45 C ATOM 710 O PRO A 48 -2.515 4.493 11.680 1.00 13.42 O ATOM 711 CB PRO A 48 -3.588 7.595 11.705 1.00 71.44 C ATOM 712 CG PRO A 48 -3.684 7.437 13.183 1.00 50.31 C ATOM 713 CD PRO A 48 -4.855 6.527 13.427 1.00 33.53 C ATOM 0 HA PRO A 48 -4.578 6.335 10.185 1.00 33.20 H new ATOM 0 HB2 PRO A 48 -2.567 7.820 11.396 1.00 71.44 H new ATOM 0 HB3 PRO A 48 -4.215 8.414 11.353 1.00 71.44 H new ATOM 0 HG2 PRO A 48 -2.767 7.011 13.590 1.00 50.31 H new ATOM 0 HG3 PRO A 48 -3.831 8.401 13.670 1.00 50.31 H new ATOM 0 HD2 PRO A 48 -4.701 5.902 14.306 1.00 33.53 H new ATOM 0 HD3 PRO A 48 -5.774 7.090 13.593 1.00 33.53 H new ATOM 721 N ASP A 49 -2.241 5.532 9.703 1.00 23.23 N ATOM 722 CA ASP A 49 -1.084 4.731 9.319 1.00 74.33 C ATOM 723 C ASP A 49 0.198 5.309 9.909 1.00 50.25 C ATOM 724 O ASP A 49 1.035 4.578 10.438 1.00 42.31 O ATOM 725 CB ASP A 49 -0.972 4.657 7.795 1.00 0.41 C ATOM 726 CG ASP A 49 -0.974 3.231 7.282 1.00 30.34 C ATOM 727 OD1 ASP A 49 -0.475 2.340 8.002 1.00 10.35 O ATOM 728 OD2 ASP A 49 -1.475 3.004 6.162 1.00 53.25 O ATOM 0 H ASP A 49 -2.518 6.231 9.014 1.00 23.23 H new ATOM 0 HA ASP A 49 -1.222 3.725 9.715 1.00 74.33 H new ATOM 0 HB2 ASP A 49 -1.802 5.203 7.346 1.00 0.41 H new ATOM 0 HB3 ASP A 49 -0.055 5.153 7.477 1.00 0.41 H new ATOM 733 N VAL A 50 0.346 6.627 9.812 1.00 33.24 N ATOM 734 CA VAL A 50 1.526 7.304 10.336 1.00 31.03 C ATOM 735 C VAL A 50 1.199 8.733 10.756 1.00 32.40 C ATOM 736 O VAL A 50 1.440 9.682 10.009 1.00 72.43 O ATOM 737 CB VAL A 50 2.663 7.333 9.298 1.00 3.21 C ATOM 738 CG1 VAL A 50 3.856 8.110 9.834 1.00 1.13 C ATOM 739 CG2 VAL A 50 3.068 5.919 8.912 1.00 60.42 C ATOM 0 H VAL A 50 -0.337 7.247 9.375 1.00 33.24 H new ATOM 0 HA VAL A 50 1.854 6.739 11.208 1.00 31.03 H new ATOM 0 HB VAL A 50 2.302 7.840 8.403 1.00 3.21 H new ATOM 0 HG11 VAL A 50 4.649 8.120 9.087 1.00 1.13 H new ATOM 0 HG12 VAL A 50 3.554 9.134 10.056 1.00 1.13 H new ATOM 0 HG13 VAL A 50 4.221 7.634 10.744 1.00 1.13 H new ATOM 0 HG21 VAL A 50 3.873 5.959 8.178 1.00 60.42 H new ATOM 0 HG22 VAL A 50 3.411 5.384 9.798 1.00 60.42 H new ATOM 0 HG23 VAL A 50 2.211 5.399 8.484 1.00 60.42 H new ATOM 749 N LEU A 51 0.649 8.879 11.956 1.00 11.33 N ATOM 750 CA LEU A 51 0.289 10.193 12.477 1.00 14.44 C ATOM 751 C LEU A 51 1.503 10.892 13.080 1.00 43.11 C ATOM 752 O LEU A 51 2.390 10.246 13.641 1.00 53.34 O ATOM 753 CB LEU A 51 -0.813 10.062 13.531 1.00 62.34 C ATOM 754 CG LEU A 51 -1.138 11.328 14.324 1.00 25.22 C ATOM 755 CD1 LEU A 51 -2.610 11.357 14.703 1.00 11.41 C ATOM 756 CD2 LEU A 51 -0.263 11.418 15.567 1.00 74.55 C ATOM 0 H LEU A 51 0.443 8.104 12.586 1.00 11.33 H new ATOM 0 HA LEU A 51 -0.080 10.796 11.647 1.00 14.44 H new ATOM 0 HB2 LEU A 51 -1.723 9.724 13.036 1.00 62.34 H new ATOM 0 HB3 LEU A 51 -0.524 9.281 14.234 1.00 62.34 H new ATOM 0 HG LEU A 51 -0.929 12.192 13.694 1.00 25.22 H new ATOM 0 HD11 LEU A 51 -2.823 12.265 15.267 1.00 11.41 H new ATOM 0 HD12 LEU A 51 -3.219 11.340 13.799 1.00 11.41 H new ATOM 0 HD13 LEU A 51 -2.845 10.486 15.315 1.00 11.41 H new ATOM 0 HD21 LEU A 51 -0.508 12.325 16.119 1.00 74.55 H new ATOM 0 HD22 LEU A 51 -0.440 10.549 16.200 1.00 74.55 H new ATOM 0 HD23 LEU A 51 0.786 11.445 15.272 1.00 74.55 H new ATOM 768 N LEU A 52 1.537 12.215 12.963 1.00 72.14 N ATOM 769 CA LEU A 52 2.642 13.003 13.498 1.00 71.32 C ATOM 770 C LEU A 52 2.209 13.774 14.740 1.00 11.33 C ATOM 771 O LEU A 52 1.758 14.916 14.648 1.00 33.14 O ATOM 772 CB LEU A 52 3.163 13.973 12.437 1.00 41.34 C ATOM 773 CG LEU A 52 3.494 13.364 11.074 1.00 60.40 C ATOM 774 CD1 LEU A 52 2.257 13.328 10.190 1.00 12.04 C ATOM 775 CD2 LEU A 52 4.612 14.144 10.398 1.00 61.20 C ATOM 0 H LEU A 52 0.812 12.765 12.502 1.00 72.14 H new ATOM 0 HA LEU A 52 3.442 12.318 13.779 1.00 71.32 H new ATOM 0 HB2 LEU A 52 2.418 14.755 12.292 1.00 41.34 H new ATOM 0 HB3 LEU A 52 4.060 14.456 12.824 1.00 41.34 H new ATOM 0 HG LEU A 52 3.835 12.340 11.229 1.00 60.40 H new ATOM 0 HD11 LEU A 52 2.512 12.891 9.224 1.00 12.04 H new ATOM 0 HD12 LEU A 52 1.485 12.725 10.668 1.00 12.04 H new ATOM 0 HD13 LEU A 52 1.885 14.342 10.043 1.00 12.04 H new ATOM 0 HD21 LEU A 52 4.834 13.696 9.429 1.00 61.20 H new ATOM 0 HD22 LEU A 52 4.300 15.179 10.256 1.00 61.20 H new ATOM 0 HD23 LEU A 52 5.504 14.117 11.023 1.00 61.20 H new ATOM 787 N SER A 53 2.351 13.144 15.902 1.00 63.33 N ATOM 788 CA SER A 53 1.973 13.770 17.163 1.00 4.31 C ATOM 789 C SER A 53 2.629 15.140 17.307 1.00 4.21 C ATOM 790 O SER A 53 3.760 15.349 16.866 1.00 32.21 O ATOM 791 CB SER A 53 2.369 12.876 18.340 1.00 45.33 C ATOM 792 OG SER A 53 2.573 13.641 19.515 1.00 12.03 O ATOM 0 H SER A 53 2.725 12.200 15.996 1.00 63.33 H new ATOM 0 HA SER A 53 0.891 13.902 17.165 1.00 4.31 H new ATOM 0 HB2 SER A 53 1.590 12.134 18.516 1.00 45.33 H new ATOM 0 HB3 SER A 53 3.280 12.329 18.095 1.00 45.33 H new ATOM 0 HG SER A 53 2.438 13.073 20.302 1.00 12.03 H new ATOM 798 N ASP A 54 1.912 16.070 17.927 1.00 12.33 N ATOM 799 CA ASP A 54 2.423 17.421 18.131 1.00 20.33 C ATOM 800 C ASP A 54 2.486 17.759 19.617 1.00 24.05 C ATOM 801 O ASP A 54 1.469 17.745 20.311 1.00 40.10 O ATOM 802 CB ASP A 54 1.544 18.437 17.401 1.00 1.42 C ATOM 803 CG ASP A 54 2.225 19.019 16.178 1.00 24.00 C ATOM 804 OD1 ASP A 54 2.511 18.250 15.237 1.00 60.03 O ATOM 805 OD2 ASP A 54 2.474 20.243 16.162 1.00 31.05 O ATOM 0 H ASP A 54 0.975 15.914 18.297 1.00 12.33 H new ATOM 0 HA ASP A 54 3.433 17.467 17.723 1.00 20.33 H new ATOM 0 HB2 ASP A 54 0.612 17.958 17.101 1.00 1.42 H new ATOM 0 HB3 ASP A 54 1.281 19.244 18.085 1.00 1.42 H new ATOM 810 N ILE A 55 3.687 18.061 20.100 1.00 42.25 N ATOM 811 CA ILE A 55 3.883 18.403 21.503 1.00 75.30 C ATOM 812 C ILE A 55 4.200 19.885 21.669 1.00 60.10 C ATOM 813 O ILE A 55 5.062 20.260 22.464 1.00 13.32 O ATOM 814 CB ILE A 55 5.017 17.573 22.132 1.00 62.43 C ATOM 815 CG1 ILE A 55 6.236 17.552 21.207 1.00 4.54 C ATOM 816 CG2 ILE A 55 4.541 16.157 22.420 1.00 73.21 C ATOM 817 CD1 ILE A 55 6.232 16.400 20.227 1.00 4.42 C ATOM 0 H ILE A 55 4.539 18.076 19.540 1.00 42.25 H new ATOM 0 HA ILE A 55 2.949 18.174 22.016 1.00 75.30 H new ATOM 0 HB ILE A 55 5.306 18.037 23.075 1.00 62.43 H new ATOM 0 HG12 ILE A 55 6.277 18.490 20.653 1.00 4.54 H new ATOM 0 HG13 ILE A 55 7.141 17.500 21.813 1.00 4.54 H new ATOM 0 HG21 ILE A 55 5.354 15.583 22.864 1.00 73.21 H new ATOM 0 HG22 ILE A 55 3.700 16.190 23.112 1.00 73.21 H new ATOM 0 HG23 ILE A 55 4.228 15.682 21.490 1.00 73.21 H new ATOM 0 HD11 ILE A 55 7.125 16.449 19.604 1.00 4.42 H new ATOM 0 HD12 ILE A 55 6.222 15.457 20.774 1.00 4.42 H new ATOM 0 HD13 ILE A 55 5.346 16.462 19.596 1.00 4.42 H new ATOM 829 N ARG A 56 3.497 20.723 20.914 1.00 10.25 N ATOM 830 CA ARG A 56 3.703 22.165 20.978 1.00 3.03 C ATOM 831 C ARG A 56 2.681 22.899 20.116 1.00 50.23 C ATOM 832 O ARG A 56 3.038 23.563 19.143 1.00 12.31 O ATOM 833 CB ARG A 56 5.120 22.520 20.522 1.00 32.43 C ATOM 834 CG ARG A 56 5.480 23.981 20.734 1.00 53.23 C ATOM 835 CD ARG A 56 5.303 24.394 22.187 1.00 71.15 C ATOM 836 NE ARG A 56 4.007 25.025 22.422 1.00 21.14 N ATOM 837 CZ ARG A 56 3.729 26.280 22.086 1.00 35.54 C ATOM 838 NH1 ARG A 56 4.650 27.033 21.503 1.00 41.14 N ATOM 839 NH2 ARG A 56 2.526 26.783 22.334 1.00 71.53 N ATOM 0 H ARG A 56 2.780 20.428 20.251 1.00 10.25 H new ATOM 0 HA ARG A 56 3.572 22.480 22.013 1.00 3.03 H new ATOM 0 HB2 ARG A 56 5.833 21.897 21.062 1.00 32.43 H new ATOM 0 HB3 ARG A 56 5.223 22.279 19.464 1.00 32.43 H new ATOM 0 HG2 ARG A 56 6.513 24.150 20.430 1.00 53.23 H new ATOM 0 HG3 ARG A 56 4.854 24.607 20.098 1.00 53.23 H new ATOM 0 HD2 ARG A 56 5.401 23.518 22.828 1.00 71.15 H new ATOM 0 HD3 ARG A 56 6.099 25.084 22.467 1.00 71.15 H new ATOM 0 HE ARG A 56 3.275 24.472 22.868 1.00 21.14 H new ATOM 0 HH11 ARG A 56 5.575 26.650 21.311 1.00 41.14 H new ATOM 0 HH12 ARG A 56 4.434 27.996 21.246 1.00 41.14 H new ATOM 0 HH21 ARG A 56 1.815 26.206 22.783 1.00 71.53 H new ATOM 0 HH22 ARG A 56 2.313 27.747 22.076 1.00 71.53 H new ATOM 853 N MET A 57 1.409 22.774 20.479 1.00 32.12 N ATOM 854 CA MET A 57 0.335 23.426 19.739 1.00 40.22 C ATOM 855 C MET A 57 -0.768 23.895 20.682 1.00 55.44 C ATOM 856 O MET A 57 -1.032 23.287 21.719 1.00 4.12 O ATOM 857 CB MET A 57 -0.244 22.473 18.692 1.00 61.32 C ATOM 858 CG MET A 57 -0.486 21.067 19.218 1.00 50.22 C ATOM 859 SD MET A 57 -1.519 20.082 18.117 1.00 74.04 S ATOM 860 CE MET A 57 -1.524 18.509 18.974 1.00 51.32 C ATOM 0 H MET A 57 1.097 22.227 21.281 1.00 32.12 H new ATOM 0 HA MET A 57 0.752 24.298 19.235 1.00 40.22 H new ATOM 0 HB2 MET A 57 -1.185 22.881 18.322 1.00 61.32 H new ATOM 0 HB3 MET A 57 0.437 22.422 17.843 1.00 61.32 H new ATOM 0 HG2 MET A 57 0.472 20.565 19.357 1.00 50.22 H new ATOM 0 HG3 MET A 57 -0.960 21.126 20.198 1.00 50.22 H new ATOM 0 HE1 MET A 57 -2.002 17.755 18.348 1.00 51.32 H new ATOM 0 HE2 MET A 57 -0.498 18.207 19.186 1.00 51.32 H new ATOM 0 HE3 MET A 57 -2.075 18.606 19.910 1.00 51.32 H new ATOM 870 N PRO A 58 -1.430 25.003 20.315 1.00 11.00 N ATOM 871 CA PRO A 58 -2.516 25.578 21.115 1.00 61.32 C ATOM 872 C PRO A 58 -3.768 24.708 21.103 1.00 71.53 C ATOM 873 O PRO A 58 -4.734 25.002 20.400 1.00 43.04 O ATOM 874 CB PRO A 58 -2.790 26.919 20.429 1.00 20.34 C ATOM 875 CG PRO A 58 -2.337 26.725 19.023 1.00 2.15 C ATOM 876 CD PRO A 58 -1.170 25.779 19.091 1.00 4.42 C ATOM 0 HA PRO A 58 -2.244 25.669 22.166 1.00 61.32 H new ATOM 0 HB2 PRO A 58 -3.848 27.177 20.472 1.00 20.34 H new ATOM 0 HB3 PRO A 58 -2.245 27.730 20.912 1.00 20.34 H new ATOM 0 HG2 PRO A 58 -3.138 26.314 18.408 1.00 2.15 H new ATOM 0 HG3 PRO A 58 -2.045 27.674 18.573 1.00 2.15 H new ATOM 0 HD2 PRO A 58 -1.121 25.137 18.211 1.00 4.42 H new ATOM 0 HD3 PRO A 58 -0.222 26.314 19.148 1.00 4.42 H new ATOM 884 N GLY A 59 -3.745 23.634 21.887 1.00 62.34 N ATOM 885 CA GLY A 59 -4.884 22.737 21.951 1.00 54.50 C ATOM 886 C GLY A 59 -4.819 21.801 23.141 1.00 12.44 C ATOM 887 O GLY A 59 -5.676 21.848 24.024 1.00 43.32 O ATOM 0 H GLY A 59 -2.958 23.369 22.479 1.00 62.34 H new ATOM 0 HA2 GLY A 59 -5.802 23.323 22.003 1.00 54.50 H new ATOM 0 HA3 GLY A 59 -4.933 22.150 21.034 1.00 54.50 H new ATOM 891 N MET A 60 -3.801 20.947 23.166 1.00 52.44 N ATOM 892 CA MET A 60 -3.628 19.996 24.257 1.00 74.41 C ATOM 893 C MET A 60 -2.166 19.584 24.393 1.00 42.20 C ATOM 894 O MET A 60 -1.427 20.143 25.204 1.00 31.22 O ATOM 895 CB MET A 60 -4.499 18.759 24.026 1.00 22.20 C ATOM 896 CG MET A 60 -4.254 17.647 25.033 1.00 31.12 C ATOM 897 SD MET A 60 -3.931 16.057 24.247 1.00 23.33 S ATOM 898 CE MET A 60 -5.594 15.542 23.828 1.00 71.23 C ATOM 0 H MET A 60 -3.084 20.894 22.443 1.00 52.44 H new ATOM 0 HA MET A 60 -3.937 20.482 25.182 1.00 74.41 H new ATOM 0 HB2 MET A 60 -5.548 19.051 24.067 1.00 22.20 H new ATOM 0 HB3 MET A 60 -4.314 18.376 23.022 1.00 22.20 H new ATOM 0 HG2 MET A 60 -3.407 17.914 25.665 1.00 31.12 H new ATOM 0 HG3 MET A 60 -5.122 17.556 25.686 1.00 31.12 H new ATOM 0 HE1 MET A 60 -5.556 14.810 23.022 1.00 71.23 H new ATOM 0 HE2 MET A 60 -6.068 15.095 24.702 1.00 71.23 H new ATOM 0 HE3 MET A 60 -6.172 16.408 23.505 1.00 71.23 H new ATOM 908 N ASP A 61 -1.755 18.605 23.595 1.00 23.11 N ATOM 909 CA ASP A 61 -0.380 18.119 23.626 1.00 1.53 C ATOM 910 C ASP A 61 -0.182 16.982 22.629 1.00 54.43 C ATOM 911 O ASP A 61 -1.069 16.682 21.831 1.00 74.21 O ATOM 912 CB ASP A 61 -0.015 17.648 25.035 1.00 42.13 C ATOM 913 CG ASP A 61 -0.938 16.556 25.537 1.00 32.22 C ATOM 914 OD1 ASP A 61 -0.974 15.475 24.913 1.00 70.34 O ATOM 915 OD2 ASP A 61 -1.624 16.782 26.556 1.00 75.54 O ATOM 0 H ASP A 61 -2.354 18.132 22.918 1.00 23.11 H new ATOM 0 HA ASP A 61 0.276 18.942 23.345 1.00 1.53 H new ATOM 0 HB2 ASP A 61 1.012 17.282 25.038 1.00 42.13 H new ATOM 0 HB3 ASP A 61 -0.053 18.495 25.720 1.00 42.13 H new ATOM 920 N GLY A 62 0.988 16.354 22.679 1.00 22.24 N ATOM 921 CA GLY A 62 1.282 15.258 21.774 1.00 34.15 C ATOM 922 C GLY A 62 1.516 13.950 22.504 1.00 13.13 C ATOM 923 O GLY A 62 1.672 12.901 21.879 1.00 71.43 O ATOM 0 H GLY A 62 1.738 16.585 23.330 1.00 22.24 H new ATOM 0 HA2 GLY A 62 0.455 15.137 21.074 1.00 34.15 H new ATOM 0 HA3 GLY A 62 2.165 15.505 21.185 1.00 34.15 H new ATOM 927 N LEU A 63 1.542 14.012 23.831 1.00 21.50 N ATOM 928 CA LEU A 63 1.761 12.823 24.648 1.00 71.32 C ATOM 929 C LEU A 63 0.456 12.063 24.865 1.00 51.44 C ATOM 930 O LEU A 63 0.394 10.849 24.676 1.00 24.24 O ATOM 931 CB LEU A 63 2.368 13.211 25.997 1.00 44.42 C ATOM 932 CG LEU A 63 3.847 13.601 25.980 1.00 52.52 C ATOM 933 CD1 LEU A 63 4.280 14.111 27.346 1.00 62.34 C ATOM 934 CD2 LEU A 63 4.705 12.420 25.552 1.00 22.00 C ATOM 0 H LEU A 63 1.414 14.872 24.364 1.00 21.50 H new ATOM 0 HA LEU A 63 2.456 12.172 24.118 1.00 71.32 H new ATOM 0 HB2 LEU A 63 1.797 14.046 26.403 1.00 44.42 H new ATOM 0 HB3 LEU A 63 2.241 12.374 26.684 1.00 44.42 H new ATOM 0 HG LEU A 63 3.983 14.404 25.256 1.00 52.52 H new ATOM 0 HD11 LEU A 63 5.335 14.384 27.315 1.00 62.34 H new ATOM 0 HD12 LEU A 63 3.687 14.986 27.613 1.00 62.34 H new ATOM 0 HD13 LEU A 63 4.129 13.330 28.091 1.00 62.34 H new ATOM 0 HD21 LEU A 63 5.754 12.716 25.546 1.00 22.00 H new ATOM 0 HD22 LEU A 63 4.565 11.596 26.251 1.00 22.00 H new ATOM 0 HD23 LEU A 63 4.412 12.101 24.552 1.00 22.00 H new ATOM 946 N ALA A 64 -0.586 12.788 25.260 1.00 43.14 N ATOM 947 CA ALA A 64 -1.891 12.184 25.498 1.00 64.32 C ATOM 948 C ALA A 64 -2.390 11.449 24.258 1.00 24.23 C ATOM 949 O ALA A 64 -3.212 10.537 24.354 1.00 60.33 O ATOM 950 CB ALA A 64 -2.894 13.245 25.924 1.00 1.02 C ATOM 0 H ALA A 64 -0.551 13.794 25.422 1.00 43.14 H new ATOM 0 HA ALA A 64 -1.786 11.456 26.302 1.00 64.32 H new ATOM 0 HB1 ALA A 64 -3.864 12.780 26.098 1.00 1.02 H new ATOM 0 HB2 ALA A 64 -2.551 13.723 26.842 1.00 1.02 H new ATOM 0 HB3 ALA A 64 -2.987 13.994 25.138 1.00 1.02 H new ATOM 956 N LEU A 65 -1.888 11.851 23.096 1.00 54.32 N ATOM 957 CA LEU A 65 -2.284 11.231 21.836 1.00 10.01 C ATOM 958 C LEU A 65 -1.432 10.000 21.544 1.00 41.10 C ATOM 959 O LEU A 65 -1.944 8.965 21.116 1.00 23.42 O ATOM 960 CB LEU A 65 -2.160 12.235 20.689 1.00 4.41 C ATOM 961 CG LEU A 65 -2.887 11.870 19.395 1.00 60.42 C ATOM 962 CD1 LEU A 65 -4.393 11.965 19.584 1.00 60.24 C ATOM 963 CD2 LEU A 65 -2.433 12.770 18.255 1.00 65.30 C ATOM 0 H LEU A 65 -1.206 12.603 23.000 1.00 54.32 H new ATOM 0 HA LEU A 65 -3.324 10.918 21.925 1.00 10.01 H new ATOM 0 HB2 LEU A 65 -2.536 13.198 21.034 1.00 4.41 H new ATOM 0 HB3 LEU A 65 -1.102 12.368 20.462 1.00 4.41 H new ATOM 0 HG LEU A 65 -2.637 10.840 19.139 1.00 60.42 H new ATOM 0 HD11 LEU A 65 -4.894 11.702 18.652 1.00 60.24 H new ATOM 0 HD12 LEU A 65 -4.705 11.278 20.371 1.00 60.24 H new ATOM 0 HD13 LEU A 65 -4.661 12.984 19.865 1.00 60.24 H new ATOM 0 HD21 LEU A 65 -2.961 12.495 17.342 1.00 65.30 H new ATOM 0 HD22 LEU A 65 -2.652 13.809 18.502 1.00 65.30 H new ATOM 0 HD23 LEU A 65 -1.360 12.651 18.103 1.00 65.30 H new ATOM 975 N LEU A 66 -0.130 10.119 21.779 1.00 1.05 N ATOM 976 CA LEU A 66 0.794 9.015 21.544 1.00 42.01 C ATOM 977 C LEU A 66 0.595 7.909 22.575 1.00 20.20 C ATOM 978 O LEU A 66 0.886 6.741 22.314 1.00 41.44 O ATOM 979 CB LEU A 66 2.239 9.515 21.588 1.00 1.23 C ATOM 980 CG LEU A 66 3.321 8.464 21.337 1.00 1.32 C ATOM 981 CD1 LEU A 66 3.367 8.087 19.865 1.00 72.52 C ATOM 982 CD2 LEU A 66 4.678 8.974 21.801 1.00 13.22 C ATOM 0 H LEU A 66 0.310 10.969 22.132 1.00 1.05 H new ATOM 0 HA LEU A 66 0.588 8.606 20.555 1.00 42.01 H new ATOM 0 HB2 LEU A 66 2.351 10.307 20.847 1.00 1.23 H new ATOM 0 HB3 LEU A 66 2.417 9.965 22.565 1.00 1.23 H new ATOM 0 HG LEU A 66 3.074 7.572 21.912 1.00 1.32 H new ATOM 0 HD11 LEU A 66 4.143 7.338 19.705 1.00 72.52 H new ATOM 0 HD12 LEU A 66 2.402 7.680 19.563 1.00 72.52 H new ATOM 0 HD13 LEU A 66 3.589 8.972 19.269 1.00 72.52 H new ATOM 0 HD21 LEU A 66 5.436 8.213 21.615 1.00 13.22 H new ATOM 0 HD22 LEU A 66 4.932 9.881 21.253 1.00 13.22 H new ATOM 0 HD23 LEU A 66 4.639 9.193 22.868 1.00 13.22 H new ATOM 994 N LYS A 67 0.095 8.283 23.748 1.00 40.33 N ATOM 995 CA LYS A 67 -0.147 7.324 24.818 1.00 33.53 C ATOM 996 C LYS A 67 -1.410 6.512 24.546 1.00 64.20 C ATOM 997 O LYS A 67 -1.596 5.432 25.105 1.00 23.44 O ATOM 998 CB LYS A 67 -0.273 8.047 26.161 1.00 52.10 C ATOM 999 CG LYS A 67 -0.667 7.134 27.309 1.00 5.14 C ATOM 1000 CD LYS A 67 -0.068 7.603 28.625 1.00 51.31 C ATOM 1001 CE LYS A 67 -0.615 6.809 29.801 1.00 54.11 C ATOM 1002 NZ LYS A 67 0.386 5.843 30.331 1.00 33.35 N ATOM 0 H LYS A 67 -0.151 9.245 23.981 1.00 40.33 H new ATOM 0 HA LYS A 67 0.702 6.641 24.858 1.00 33.53 H new ATOM 0 HB2 LYS A 67 0.678 8.524 26.398 1.00 52.10 H new ATOM 0 HB3 LYS A 67 -1.014 8.841 26.069 1.00 52.10 H new ATOM 0 HG2 LYS A 67 -1.753 7.102 27.393 1.00 5.14 H new ATOM 0 HG3 LYS A 67 -0.334 6.118 27.098 1.00 5.14 H new ATOM 0 HD2 LYS A 67 1.017 7.501 28.589 1.00 51.31 H new ATOM 0 HD3 LYS A 67 -0.284 8.662 28.768 1.00 51.31 H new ATOM 0 HE2 LYS A 67 -0.914 7.494 30.594 1.00 54.11 H new ATOM 0 HE3 LYS A 67 -1.510 6.271 29.491 1.00 54.11 H new ATOM 0 HZ1 LYS A 67 -0.025 5.321 31.131 1.00 33.35 H new ATOM 0 HZ2 LYS A 67 0.653 5.173 29.581 1.00 33.35 H new ATOM 0 HZ3 LYS A 67 1.231 6.359 30.651 1.00 33.35 H new ATOM 1016 N GLN A 68 -2.272 7.039 23.683 1.00 60.12 N ATOM 1017 CA GLN A 68 -3.516 6.362 23.337 1.00 60.45 C ATOM 1018 C GLN A 68 -3.302 5.384 22.185 1.00 5.35 C ATOM 1019 O GLN A 68 -3.728 4.231 22.250 1.00 12.12 O ATOM 1020 CB GLN A 68 -4.590 7.384 22.960 1.00 30.41 C ATOM 1021 CG GLN A 68 -5.695 7.515 23.996 1.00 60.51 C ATOM 1022 CD GLN A 68 -7.063 7.703 23.370 1.00 64.13 C ATOM 1023 OE1 GLN A 68 -7.188 8.268 22.283 1.00 50.30 O ATOM 1024 NE2 GLN A 68 -8.098 7.229 24.053 1.00 25.24 N ATOM 0 H GLN A 68 -2.132 7.932 23.211 1.00 60.12 H new ATOM 0 HA GLN A 68 -3.849 5.800 24.210 1.00 60.45 H new ATOM 0 HB2 GLN A 68 -4.120 8.357 22.817 1.00 30.41 H new ATOM 0 HB3 GLN A 68 -5.031 7.100 22.005 1.00 30.41 H new ATOM 0 HG2 GLN A 68 -5.706 6.624 24.624 1.00 60.51 H new ATOM 0 HG3 GLN A 68 -5.478 8.362 24.648 1.00 60.51 H new ATOM 0 HE21 GLN A 68 -7.949 6.768 24.950 1.00 25.24 H new ATOM 0 HE22 GLN A 68 -9.043 7.326 23.680 1.00 25.24 H new ATOM 1033 N ILE A 69 -2.639 5.853 21.134 1.00 43.14 N ATOM 1034 CA ILE A 69 -2.368 5.020 19.969 1.00 65.21 C ATOM 1035 C ILE A 69 -1.462 3.847 20.331 1.00 51.35 C ATOM 1036 O ILE A 69 -1.508 2.794 19.695 1.00 33.44 O ATOM 1037 CB ILE A 69 -1.710 5.831 18.837 1.00 52.31 C ATOM 1038 CG1 ILE A 69 -0.438 6.514 19.342 1.00 3.41 C ATOM 1039 CG2 ILE A 69 -2.687 6.860 18.286 1.00 21.42 C ATOM 1040 CD1 ILE A 69 0.255 7.354 18.292 1.00 41.12 C ATOM 0 H ILE A 69 -2.280 6.805 21.065 1.00 43.14 H new ATOM 0 HA ILE A 69 -3.329 4.641 19.622 1.00 65.21 H new ATOM 0 HB ILE A 69 -1.438 5.149 18.032 1.00 52.31 H new ATOM 0 HG12 ILE A 69 -0.689 7.146 20.194 1.00 3.41 H new ATOM 0 HG13 ILE A 69 0.255 5.753 19.702 1.00 3.41 H new ATOM 0 HG21 ILE A 69 -2.208 7.425 17.487 1.00 21.42 H new ATOM 0 HG22 ILE A 69 -3.568 6.352 17.893 1.00 21.42 H new ATOM 0 HG23 ILE A 69 -2.986 7.541 19.083 1.00 21.42 H new ATOM 0 HD11 ILE A 69 1.149 7.808 18.721 1.00 41.12 H new ATOM 0 HD12 ILE A 69 0.537 6.723 17.449 1.00 41.12 H new ATOM 0 HD13 ILE A 69 -0.421 8.137 17.949 1.00 41.12 H new ATOM 1052 N LYS A 70 -0.640 4.037 21.357 1.00 64.33 N ATOM 1053 CA LYS A 70 0.275 2.995 21.807 1.00 64.41 C ATOM 1054 C LYS A 70 -0.424 2.031 22.760 1.00 72.43 C ATOM 1055 O LYS A 70 -0.108 0.842 22.796 1.00 20.10 O ATOM 1056 CB LYS A 70 1.491 3.618 22.497 1.00 61.23 C ATOM 1057 CG LYS A 70 1.190 4.167 23.880 1.00 10.43 C ATOM 1058 CD LYS A 70 1.519 3.156 24.966 1.00 40.23 C ATOM 1059 CE LYS A 70 3.007 3.143 25.282 1.00 34.34 C ATOM 1060 NZ LYS A 70 3.397 4.281 26.159 1.00 4.13 N ATOM 0 H LYS A 70 -0.589 4.903 21.893 1.00 64.33 H new ATOM 0 HA LYS A 70 0.608 2.436 20.932 1.00 64.41 H new ATOM 0 HB2 LYS A 70 2.277 2.867 22.576 1.00 61.23 H new ATOM 0 HB3 LYS A 70 1.880 4.422 21.873 1.00 61.23 H new ATOM 0 HG2 LYS A 70 1.765 5.078 24.044 1.00 10.43 H new ATOM 0 HG3 LYS A 70 0.137 4.440 23.943 1.00 10.43 H new ATOM 0 HD2 LYS A 70 0.956 3.394 25.869 1.00 40.23 H new ATOM 0 HD3 LYS A 70 1.205 2.162 24.647 1.00 40.23 H new ATOM 0 HE2 LYS A 70 3.267 2.203 25.769 1.00 34.34 H new ATOM 0 HE3 LYS A 70 3.576 3.188 24.353 1.00 34.34 H new ATOM 0 HZ1 LYS A 70 4.115 4.859 25.678 1.00 4.13 H new ATOM 0 HZ2 LYS A 70 2.561 4.865 26.362 1.00 4.13 H new ATOM 0 HZ3 LYS A 70 3.788 3.914 27.050 1.00 4.13 H new ATOM 1074 N GLN A 71 -1.376 2.551 23.527 1.00 11.14 N ATOM 1075 CA GLN A 71 -2.120 1.735 24.479 1.00 14.14 C ATOM 1076 C GLN A 71 -3.356 1.126 23.825 1.00 12.22 C ATOM 1077 O GLN A 71 -3.942 0.177 24.346 1.00 71.11 O ATOM 1078 CB GLN A 71 -2.531 2.574 25.691 1.00 71.02 C ATOM 1079 CG GLN A 71 -1.406 2.791 26.690 1.00 33.33 C ATOM 1080 CD GLN A 71 -1.784 2.365 28.095 1.00 12.34 C ATOM 1081 OE1 GLN A 71 -1.191 1.445 28.659 1.00 42.14 O ATOM 1082 NE2 GLN A 71 -2.777 3.035 28.670 1.00 25.22 N ATOM 0 H GLN A 71 -1.650 3.533 23.508 1.00 11.14 H new ATOM 0 HA GLN A 71 -1.470 0.925 24.810 1.00 14.14 H new ATOM 0 HB2 GLN A 71 -2.892 3.543 25.346 1.00 71.02 H new ATOM 0 HB3 GLN A 71 -3.364 2.085 26.195 1.00 71.02 H new ATOM 0 HG2 GLN A 71 -0.527 2.232 26.369 1.00 33.33 H new ATOM 0 HG3 GLN A 71 -1.129 3.845 26.696 1.00 33.33 H new ATOM 0 HE21 GLN A 71 -3.241 3.791 28.166 1.00 25.22 H new ATOM 0 HE22 GLN A 71 -3.075 2.794 29.615 1.00 25.22 H new ATOM 1091 N ARG A 72 -3.747 1.679 22.681 1.00 32.15 N ATOM 1092 CA ARG A 72 -4.914 1.191 21.957 1.00 15.00 C ATOM 1093 C ARG A 72 -4.500 0.250 20.830 1.00 75.42 C ATOM 1094 O ARG A 72 -4.972 -0.885 20.750 1.00 61.22 O ATOM 1095 CB ARG A 72 -5.715 2.364 21.388 1.00 30.02 C ATOM 1096 CG ARG A 72 -6.416 3.195 22.450 1.00 4.34 C ATOM 1097 CD ARG A 72 -7.029 4.454 21.858 1.00 52.14 C ATOM 1098 NE ARG A 72 -8.306 4.184 21.202 1.00 41.23 N ATOM 1099 CZ ARG A 72 -9.440 3.973 21.860 1.00 12.50 C ATOM 1100 NH1 ARG A 72 -9.456 4.002 23.185 1.00 34.35 N ATOM 1101 NH2 ARG A 72 -10.562 3.734 21.192 1.00 4.33 N ATOM 0 H ARG A 72 -3.273 2.465 22.236 1.00 32.15 H new ATOM 0 HA ARG A 72 -5.540 0.638 22.657 1.00 15.00 H new ATOM 0 HB2 ARG A 72 -5.045 3.008 20.818 1.00 30.02 H new ATOM 0 HB3 ARG A 72 -6.459 1.980 20.690 1.00 30.02 H new ATOM 0 HG2 ARG A 72 -7.195 2.598 22.925 1.00 4.34 H new ATOM 0 HG3 ARG A 72 -5.704 3.467 23.229 1.00 4.34 H new ATOM 0 HD2 ARG A 72 -7.175 5.192 22.647 1.00 52.14 H new ATOM 0 HD3 ARG A 72 -6.337 4.891 21.138 1.00 52.14 H new ATOM 0 HE ARG A 72 -8.328 4.156 20.183 1.00 41.23 H new ATOM 0 HH11 ARG A 72 -8.596 4.187 23.701 1.00 34.35 H new ATOM 0 HH12 ARG A 72 -10.328 3.840 23.688 1.00 34.35 H new ATOM 0 HH21 ARG A 72 -10.554 3.712 20.172 1.00 4.33 H new ATOM 0 HH22 ARG A 72 -11.432 3.572 21.698 1.00 4.33 H new ATOM 1115 N HIS A 73 -3.617 0.729 19.960 1.00 24.31 N ATOM 1116 CA HIS A 73 -3.139 -0.070 18.837 1.00 21.10 C ATOM 1117 C HIS A 73 -1.700 0.294 18.485 1.00 64.31 C ATOM 1118 O HIS A 73 -1.427 0.939 17.472 1.00 23.43 O ATOM 1119 CB HIS A 73 -4.041 0.133 17.619 1.00 30.23 C ATOM 1120 CG HIS A 73 -4.909 1.350 17.713 1.00 63.02 C ATOM 1121 ND1 HIS A 73 -6.220 1.309 18.138 1.00 62.20 N ATOM 1122 CD2 HIS A 73 -4.646 2.648 17.435 1.00 44.33 C ATOM 1123 CE1 HIS A 73 -6.726 2.529 18.116 1.00 71.34 C ATOM 1124 NE2 HIS A 73 -5.791 3.360 17.693 1.00 50.31 N ATOM 0 H HIS A 73 -3.218 1.666 20.011 1.00 24.31 H new ATOM 0 HA HIS A 73 -3.168 -1.119 19.131 1.00 21.10 H new ATOM 0 HB2 HIS A 73 -3.420 0.207 16.726 1.00 30.23 H new ATOM 0 HB3 HIS A 73 -4.674 -0.746 17.495 1.00 30.23 H new ATOM 0 HD2 HIS A 73 -3.709 3.049 17.077 1.00 44.33 H new ATOM 0 HE1 HIS A 73 -7.733 2.801 18.396 1.00 71.34 H new ATOM 0 HE2 HIS A 73 -5.902 4.367 17.577 1.00 50.31 H new ATOM 1132 N PRO A 74 -0.756 -0.128 19.340 1.00 40.02 N ATOM 1133 CA PRO A 74 0.671 0.142 19.140 1.00 11.20 C ATOM 1134 C PRO A 74 1.249 -0.637 17.964 1.00 63.20 C ATOM 1135 O PRO A 74 2.420 -0.481 17.619 1.00 3.55 O ATOM 1136 CB PRO A 74 1.307 -0.321 20.453 1.00 12.01 C ATOM 1137 CG PRO A 74 0.365 -1.342 20.991 1.00 55.11 C ATOM 1138 CD PRO A 74 -1.009 -0.901 20.567 1.00 73.40 C ATOM 0 HA PRO A 74 0.859 1.190 18.906 1.00 11.20 H new ATOM 0 HB2 PRO A 74 2.297 -0.745 20.285 1.00 12.01 H new ATOM 0 HB3 PRO A 74 1.430 0.510 21.148 1.00 12.01 H new ATOM 0 HG2 PRO A 74 0.596 -2.332 20.598 1.00 55.11 H new ATOM 0 HG3 PRO A 74 0.437 -1.406 22.077 1.00 55.11 H new ATOM 0 HD2 PRO A 74 -1.664 -1.752 20.378 1.00 73.40 H new ATOM 0 HD3 PRO A 74 -1.490 -0.293 21.333 1.00 73.40 H new ATOM 1146 N MET A 75 0.421 -1.477 17.352 1.00 51.35 N ATOM 1147 CA MET A 75 0.851 -2.279 16.212 1.00 31.24 C ATOM 1148 C MET A 75 1.175 -1.393 15.014 1.00 12.41 C ATOM 1149 O MET A 75 1.798 -1.838 14.049 1.00 33.45 O ATOM 1150 CB MET A 75 -0.233 -3.290 15.835 1.00 35.32 C ATOM 1151 CG MET A 75 0.278 -4.441 14.984 1.00 41.14 C ATOM 1152 SD MET A 75 1.391 -5.534 15.889 1.00 51.54 S ATOM 1153 CE MET A 75 2.865 -5.428 14.877 1.00 23.41 C ATOM 0 H MET A 75 -0.551 -1.620 17.626 1.00 51.35 H new ATOM 0 HA MET A 75 1.755 -2.816 16.498 1.00 31.24 H new ATOM 0 HB2 MET A 75 -0.676 -3.692 16.746 1.00 35.32 H new ATOM 0 HB3 MET A 75 -1.027 -2.774 15.295 1.00 35.32 H new ATOM 0 HG2 MET A 75 -0.569 -5.018 14.613 1.00 41.14 H new ATOM 0 HG3 MET A 75 0.797 -4.041 14.113 1.00 41.14 H new ATOM 0 HE1 MET A 75 3.648 -6.052 15.308 1.00 23.41 H new ATOM 0 HE2 MET A 75 2.639 -5.774 13.868 1.00 23.41 H new ATOM 0 HE3 MET A 75 3.206 -4.393 14.838 1.00 23.41 H new ATOM 1163 N LEU A 76 0.748 -0.136 15.081 1.00 24.31 N ATOM 1164 CA LEU A 76 0.993 0.813 14.001 1.00 40.30 C ATOM 1165 C LEU A 76 2.161 1.734 14.340 1.00 54.52 C ATOM 1166 O LEU A 76 2.399 2.075 15.499 1.00 72.41 O ATOM 1167 CB LEU A 76 -0.264 1.642 13.730 1.00 44.40 C ATOM 1168 CG LEU A 76 -0.491 2.839 14.655 1.00 62.32 C ATOM 1169 CD1 LEU A 76 -0.306 4.143 13.895 1.00 4.25 C ATOM 1170 CD2 LEU A 76 -1.877 2.775 15.279 1.00 74.34 C ATOM 0 H LEU A 76 0.231 0.249 15.871 1.00 24.31 H new ATOM 0 HA LEU A 76 1.249 0.248 13.104 1.00 40.30 H new ATOM 0 HB2 LEU A 76 -0.221 2.005 12.703 1.00 44.40 H new ATOM 0 HB3 LEU A 76 -1.131 0.985 13.800 1.00 44.40 H new ATOM 0 HG LEU A 76 0.248 2.801 15.455 1.00 62.32 H new ATOM 0 HD11 LEU A 76 -0.471 4.984 14.569 1.00 4.25 H new ATOM 0 HD12 LEU A 76 0.707 4.191 13.497 1.00 4.25 H new ATOM 0 HD13 LEU A 76 -1.021 4.190 13.074 1.00 4.25 H new ATOM 0 HD21 LEU A 76 -2.021 3.634 15.934 1.00 74.34 H new ATOM 0 HD22 LEU A 76 -2.631 2.788 14.492 1.00 74.34 H new ATOM 0 HD23 LEU A 76 -1.973 1.857 15.859 1.00 74.34 H new ATOM 1182 N PRO A 77 2.906 2.151 13.305 1.00 31.43 N ATOM 1183 CA PRO A 77 4.059 3.041 13.468 1.00 64.41 C ATOM 1184 C PRO A 77 3.649 4.454 13.868 1.00 63.14 C ATOM 1185 O PRO A 77 2.491 4.841 13.715 1.00 12.43 O ATOM 1186 CB PRO A 77 4.704 3.043 12.080 1.00 51.24 C ATOM 1187 CG PRO A 77 3.591 2.714 11.145 1.00 45.52 C ATOM 1188 CD PRO A 77 2.680 1.785 11.897 1.00 73.11 C ATOM 0 HA PRO A 77 4.725 2.704 14.262 1.00 64.41 H new ATOM 0 HB2 PRO A 77 5.142 4.014 11.848 1.00 51.24 H new ATOM 0 HB3 PRO A 77 5.506 2.308 12.015 1.00 51.24 H new ATOM 0 HG2 PRO A 77 3.061 3.615 10.837 1.00 45.52 H new ATOM 0 HG3 PRO A 77 3.969 2.241 10.239 1.00 45.52 H new ATOM 0 HD2 PRO A 77 1.638 1.923 11.608 1.00 73.11 H new ATOM 0 HD3 PRO A 77 2.927 0.740 11.709 1.00 73.11 H new ATOM 1196 N VAL A 78 4.607 5.221 14.379 1.00 20.43 N ATOM 1197 CA VAL A 78 4.346 6.592 14.799 1.00 14.14 C ATOM 1198 C VAL A 78 5.591 7.459 14.653 1.00 63.32 C ATOM 1199 O VAL A 78 6.712 6.992 14.857 1.00 21.41 O ATOM 1200 CB VAL A 78 3.863 6.649 16.261 1.00 1.10 C ATOM 1201 CG1 VAL A 78 3.625 8.089 16.689 1.00 0.12 C ATOM 1202 CG2 VAL A 78 2.603 5.816 16.438 1.00 13.14 C ATOM 0 H VAL A 78 5.571 4.916 14.512 1.00 20.43 H new ATOM 0 HA VAL A 78 3.561 6.977 14.149 1.00 14.14 H new ATOM 0 HB VAL A 78 4.641 6.230 16.899 1.00 1.10 H new ATOM 0 HG11 VAL A 78 3.284 8.109 17.724 1.00 0.12 H new ATOM 0 HG12 VAL A 78 4.554 8.653 16.601 1.00 0.12 H new ATOM 0 HG13 VAL A 78 2.866 8.538 16.048 1.00 0.12 H new ATOM 0 HG21 VAL A 78 2.276 5.867 17.476 1.00 13.14 H new ATOM 0 HG22 VAL A 78 1.817 6.203 15.790 1.00 13.14 H new ATOM 0 HG23 VAL A 78 2.812 4.779 16.175 1.00 13.14 H new ATOM 1212 N ILE A 79 5.387 8.723 14.298 1.00 24.11 N ATOM 1213 CA ILE A 79 6.494 9.655 14.126 1.00 43.42 C ATOM 1214 C ILE A 79 6.273 10.928 14.937 1.00 75.33 C ATOM 1215 O ILE A 79 5.161 11.454 14.993 1.00 52.24 O ATOM 1216 CB ILE A 79 6.688 10.031 12.645 1.00 44.31 C ATOM 1217 CG1 ILE A 79 6.683 8.774 11.772 1.00 3.52 C ATOM 1218 CG2 ILE A 79 7.985 10.806 12.461 1.00 71.45 C ATOM 1219 CD1 ILE A 79 6.872 9.061 10.299 1.00 24.00 C ATOM 0 H ILE A 79 4.466 9.125 14.124 1.00 24.11 H new ATOM 0 HA ILE A 79 7.390 9.149 14.485 1.00 43.42 H new ATOM 0 HB ILE A 79 5.860 10.668 12.335 1.00 44.31 H new ATOM 0 HG12 ILE A 79 7.475 8.105 12.108 1.00 3.52 H new ATOM 0 HG13 ILE A 79 5.739 8.247 11.913 1.00 3.52 H new ATOM 0 HG21 ILE A 79 8.108 11.065 11.409 1.00 71.45 H new ATOM 0 HG22 ILE A 79 7.952 11.718 13.057 1.00 71.45 H new ATOM 0 HG23 ILE A 79 8.825 10.191 12.784 1.00 71.45 H new ATOM 0 HD11 ILE A 79 6.858 8.125 9.741 1.00 24.00 H new ATOM 0 HD12 ILE A 79 6.066 9.705 9.947 1.00 24.00 H new ATOM 0 HD13 ILE A 79 7.829 9.560 10.145 1.00 24.00 H new ATOM 1231 N ILE A 80 7.338 11.417 15.562 1.00 52.30 N ATOM 1232 CA ILE A 80 7.260 12.630 16.367 1.00 30.33 C ATOM 1233 C ILE A 80 7.533 13.869 15.522 1.00 1.44 C ATOM 1234 O ILE A 80 8.503 13.916 14.767 1.00 44.40 O ATOM 1235 CB ILE A 80 8.258 12.592 17.540 1.00 34.50 C ATOM 1236 CG1 ILE A 80 8.199 11.234 18.244 1.00 41.30 C ATOM 1237 CG2 ILE A 80 7.965 13.716 18.522 1.00 54.45 C ATOM 1238 CD1 ILE A 80 6.822 10.880 18.759 1.00 32.24 C ATOM 0 H ILE A 80 8.265 10.992 15.527 1.00 52.30 H new ATOM 0 HA ILE A 80 6.246 12.681 16.764 1.00 30.33 H new ATOM 0 HB ILE A 80 9.264 12.733 17.146 1.00 34.50 H new ATOM 0 HG12 ILE A 80 8.529 10.460 17.551 1.00 41.30 H new ATOM 0 HG13 ILE A 80 8.901 11.235 19.078 1.00 41.30 H new ATOM 0 HG21 ILE A 80 8.679 13.675 19.345 1.00 54.45 H new ATOM 0 HG22 ILE A 80 8.052 14.676 18.013 1.00 54.45 H new ATOM 0 HG23 ILE A 80 6.954 13.603 18.913 1.00 54.45 H new ATOM 0 HD11 ILE A 80 6.855 9.905 19.246 1.00 32.24 H new ATOM 0 HD12 ILE A 80 6.497 11.633 19.477 1.00 32.24 H new ATOM 0 HD13 ILE A 80 6.120 10.846 17.926 1.00 32.24 H new ATOM 1250 N MET A 81 6.671 14.872 15.657 1.00 4.11 N ATOM 1251 CA MET A 81 6.822 16.114 14.908 1.00 53.21 C ATOM 1252 C MET A 81 6.549 17.322 15.798 1.00 4.53 C ATOM 1253 O MET A 81 5.477 17.441 16.392 1.00 72.22 O ATOM 1254 CB MET A 81 5.875 16.128 13.706 1.00 31.13 C ATOM 1255 CG MET A 81 5.717 17.500 13.072 1.00 3.43 C ATOM 1256 SD MET A 81 5.136 17.415 11.367 1.00 4.45 S ATOM 1257 CE MET A 81 3.400 17.056 11.619 1.00 12.40 C ATOM 0 H MET A 81 5.862 14.849 16.277 1.00 4.11 H new ATOM 0 HA MET A 81 7.851 16.172 14.552 1.00 53.21 H new ATOM 0 HB2 MET A 81 6.245 15.430 12.955 1.00 31.13 H new ATOM 0 HB3 MET A 81 4.896 15.768 14.021 1.00 31.13 H new ATOM 0 HG2 MET A 81 5.015 18.090 13.662 1.00 3.43 H new ATOM 0 HG3 MET A 81 6.674 18.021 13.100 1.00 3.43 H new ATOM 0 HE1 MET A 81 3.089 16.264 10.937 1.00 12.40 H new ATOM 0 HE2 MET A 81 3.241 16.732 12.648 1.00 12.40 H new ATOM 0 HE3 MET A 81 2.811 17.953 11.426 1.00 12.40 H new ATOM 1267 N THR A 82 7.527 18.219 15.888 1.00 25.51 N ATOM 1268 CA THR A 82 7.394 19.417 16.707 1.00 33.40 C ATOM 1269 C THR A 82 8.617 20.316 16.570 1.00 22.42 C ATOM 1270 O THR A 82 9.478 20.084 15.721 1.00 35.25 O ATOM 1271 CB THR A 82 7.195 19.062 18.193 1.00 52.12 C ATOM 1272 OG1 THR A 82 6.735 20.211 18.913 1.00 33.02 O ATOM 1273 CG2 THR A 82 8.492 18.558 18.807 1.00 32.22 C ATOM 0 H THR A 82 8.421 18.138 15.403 1.00 25.51 H new ATOM 0 HA THR A 82 6.514 19.950 16.347 1.00 33.40 H new ATOM 0 HB THR A 82 6.449 18.270 18.258 1.00 52.12 H new ATOM 0 HG1 THR A 82 7.287 20.338 19.713 1.00 33.02 H new ATOM 0 HG21 THR A 82 8.327 18.314 19.856 1.00 32.22 H new ATOM 0 HG22 THR A 82 8.824 17.667 18.275 1.00 32.22 H new ATOM 0 HG23 THR A 82 9.256 19.332 18.730 1.00 32.22 H new ATOM 1281 N ALA A 83 8.689 21.342 17.412 1.00 74.14 N ATOM 1282 CA ALA A 83 9.809 22.274 17.386 1.00 52.11 C ATOM 1283 C ALA A 83 10.712 22.081 18.599 1.00 32.14 C ATOM 1284 O ALA A 83 10.593 21.092 19.323 1.00 21.40 O ATOM 1285 CB ALA A 83 9.301 23.707 17.326 1.00 45.31 C ATOM 0 H ALA A 83 7.985 21.548 18.120 1.00 74.14 H new ATOM 0 HA ALA A 83 10.398 22.071 16.492 1.00 52.11 H new ATOM 0 HB1 ALA A 83 10.148 24.393 17.307 1.00 45.31 H new ATOM 0 HB2 ALA A 83 8.703 23.844 16.425 1.00 45.31 H new ATOM 0 HB3 ALA A 83 8.687 23.912 18.203 1.00 45.31 H new ATOM 1291 N HIS A 84 11.615 23.032 18.817 1.00 61.45 N ATOM 1292 CA HIS A 84 12.539 22.965 19.943 1.00 10.53 C ATOM 1293 C HIS A 84 11.788 22.711 21.247 1.00 24.20 C ATOM 1294 O HIS A 84 12.342 22.152 22.194 1.00 13.32 O ATOM 1295 CB HIS A 84 13.342 24.262 20.049 1.00 50.34 C ATOM 1296 CG HIS A 84 12.516 25.496 19.851 1.00 60.13 C ATOM 1297 ND1 HIS A 84 12.755 26.408 18.845 1.00 52.23 N ATOM 1298 CD2 HIS A 84 11.447 25.965 20.536 1.00 3.11 C ATOM 1299 CE1 HIS A 84 11.870 27.386 18.921 1.00 51.11 C ATOM 1300 NE2 HIS A 84 11.065 27.141 19.939 1.00 74.13 N ATOM 0 H HIS A 84 11.726 23.858 18.229 1.00 61.45 H new ATOM 0 HA HIS A 84 13.224 22.135 19.770 1.00 10.53 H new ATOM 0 HB2 HIS A 84 13.817 24.306 21.029 1.00 50.34 H new ATOM 0 HB3 HIS A 84 14.141 24.247 19.308 1.00 50.34 H new ATOM 0 HD2 HIS A 84 10.981 25.501 21.393 1.00 3.11 H new ATOM 0 HE1 HIS A 84 11.814 28.240 18.263 1.00 51.11 H new ATOM 0 HE2 HIS A 84 10.286 27.730 20.234 1.00 74.13 H new ATOM 1308 N SER A 85 10.526 23.125 21.288 1.00 30.30 N ATOM 1309 CA SER A 85 9.701 22.946 22.477 1.00 20.50 C ATOM 1310 C SER A 85 9.320 21.479 22.658 1.00 50.31 C ATOM 1311 O SER A 85 8.865 20.824 21.720 1.00 44.32 O ATOM 1312 CB SER A 85 8.438 23.804 22.382 1.00 45.32 C ATOM 1313 OG SER A 85 8.080 24.326 23.650 1.00 52.14 O ATOM 0 H SER A 85 10.052 23.587 20.512 1.00 30.30 H new ATOM 0 HA SER A 85 10.282 23.263 23.343 1.00 20.50 H new ATOM 0 HB2 SER A 85 8.602 24.623 21.681 1.00 45.32 H new ATOM 0 HB3 SER A 85 7.617 23.206 21.986 1.00 45.32 H new ATOM 0 HG SER A 85 8.085 25.305 23.614 1.00 52.14 H new ATOM 1319 N ASP A 86 9.509 20.971 23.871 1.00 71.04 N ATOM 1320 CA ASP A 86 9.185 19.583 24.177 1.00 74.53 C ATOM 1321 C ASP A 86 10.017 18.630 23.324 1.00 32.54 C ATOM 1322 O ASP A 86 9.676 17.456 23.174 1.00 74.44 O ATOM 1323 CB ASP A 86 7.695 19.322 23.948 1.00 12.22 C ATOM 1324 CG ASP A 86 6.881 19.459 25.220 1.00 25.33 C ATOM 1325 OD1 ASP A 86 7.176 20.374 26.018 1.00 71.12 O ATOM 1326 OD2 ASP A 86 5.950 18.651 25.418 1.00 50.10 O ATOM 0 H ASP A 86 9.885 21.500 24.658 1.00 71.04 H new ATOM 0 HA ASP A 86 9.421 19.404 25.226 1.00 74.53 H new ATOM 0 HB2 ASP A 86 7.317 20.021 23.201 1.00 12.22 H new ATOM 0 HB3 ASP A 86 7.563 18.319 23.542 1.00 12.22 H new ATOM 1331 N LEU A 87 11.109 19.142 22.768 1.00 31.13 N ATOM 1332 CA LEU A 87 11.990 18.337 21.930 1.00 62.24 C ATOM 1333 C LEU A 87 12.565 17.162 22.714 1.00 32.23 C ATOM 1334 O LEU A 87 13.024 16.179 22.132 1.00 33.21 O ATOM 1335 CB LEU A 87 13.126 19.198 21.375 1.00 52.44 C ATOM 1336 CG LEU A 87 14.323 18.441 20.799 1.00 50.11 C ATOM 1337 CD1 LEU A 87 13.894 17.579 19.622 1.00 54.43 C ATOM 1338 CD2 LEU A 87 15.417 19.412 20.380 1.00 1.42 C ATOM 0 H LEU A 87 11.406 20.111 22.882 1.00 31.13 H new ATOM 0 HA LEU A 87 11.401 17.944 21.101 1.00 62.24 H new ATOM 0 HB2 LEU A 87 12.719 19.842 20.595 1.00 52.44 H new ATOM 0 HB3 LEU A 87 13.483 19.850 22.172 1.00 52.44 H new ATOM 0 HG LEU A 87 14.722 17.788 21.575 1.00 50.11 H new ATOM 0 HD11 LEU A 87 14.759 17.048 19.225 1.00 54.43 H new ATOM 0 HD12 LEU A 87 13.146 16.858 19.952 1.00 54.43 H new ATOM 0 HD13 LEU A 87 13.469 18.212 18.843 1.00 54.43 H new ATOM 0 HD21 LEU A 87 16.261 18.855 19.972 1.00 1.42 H new ATOM 0 HD22 LEU A 87 15.029 20.091 19.621 1.00 1.42 H new ATOM 0 HD23 LEU A 87 15.745 19.986 21.246 1.00 1.42 H new ATOM 1350 N ASP A 88 12.534 17.270 24.038 1.00 64.31 N ATOM 1351 CA ASP A 88 13.049 16.215 24.903 1.00 22.41 C ATOM 1352 C ASP A 88 12.383 14.879 24.587 1.00 50.21 C ATOM 1353 O ASP A 88 12.996 13.821 24.722 1.00 24.01 O ATOM 1354 CB ASP A 88 12.825 16.576 26.372 1.00 35.53 C ATOM 1355 CG ASP A 88 11.436 17.129 26.627 1.00 43.33 C ATOM 1356 OD1 ASP A 88 10.471 16.338 26.612 1.00 55.12 O ATOM 1357 OD2 ASP A 88 11.316 18.354 26.840 1.00 54.00 O ATOM 0 H ASP A 88 12.158 18.077 24.535 1.00 64.31 H new ATOM 0 HA ASP A 88 14.119 16.119 24.720 1.00 22.41 H new ATOM 0 HB2 ASP A 88 12.979 15.690 26.988 1.00 35.53 H new ATOM 0 HB3 ASP A 88 13.568 17.312 26.680 1.00 35.53 H new ATOM 1362 N ALA A 89 11.124 14.937 24.166 1.00 34.23 N ATOM 1363 CA ALA A 89 10.375 13.732 23.830 1.00 14.42 C ATOM 1364 C ALA A 89 10.994 13.016 22.635 1.00 3.20 C ATOM 1365 O ALA A 89 10.774 11.823 22.432 1.00 32.31 O ATOM 1366 CB ALA A 89 8.920 14.078 23.545 1.00 24.42 C ATOM 0 H ALA A 89 10.601 15.805 24.049 1.00 34.23 H new ATOM 0 HA ALA A 89 10.416 13.058 24.685 1.00 14.42 H new ATOM 0 HB1 ALA A 89 8.372 13.169 23.295 1.00 24.42 H new ATOM 0 HB2 ALA A 89 8.476 14.539 24.427 1.00 24.42 H new ATOM 0 HB3 ALA A 89 8.869 14.774 22.708 1.00 24.42 H new ATOM 1372 N ALA A 90 11.770 13.753 21.846 1.00 12.14 N ATOM 1373 CA ALA A 90 12.422 13.187 20.672 1.00 2.41 C ATOM 1374 C ALA A 90 13.275 11.980 21.046 1.00 22.02 C ATOM 1375 O ALA A 90 13.431 11.049 20.256 1.00 20.33 O ATOM 1376 CB ALA A 90 13.273 14.243 19.981 1.00 14.01 C ATOM 0 H ALA A 90 11.962 14.743 21.999 1.00 12.14 H new ATOM 0 HA ALA A 90 11.647 12.852 19.983 1.00 2.41 H new ATOM 0 HB1 ALA A 90 13.754 13.807 19.106 1.00 14.01 H new ATOM 0 HB2 ALA A 90 12.640 15.074 19.671 1.00 14.01 H new ATOM 0 HB3 ALA A 90 14.035 14.605 20.671 1.00 14.01 H new ATOM 1382 N VAL A 91 13.826 12.002 22.256 1.00 44.44 N ATOM 1383 CA VAL A 91 14.664 10.909 22.735 1.00 53.15 C ATOM 1384 C VAL A 91 13.816 9.767 23.284 1.00 54.44 C ATOM 1385 O VAL A 91 13.962 8.617 22.870 1.00 52.30 O ATOM 1386 CB VAL A 91 15.636 11.385 23.830 1.00 13.05 C ATOM 1387 CG1 VAL A 91 16.642 10.294 24.162 1.00 22.02 C ATOM 1388 CG2 VAL A 91 16.343 12.660 23.398 1.00 52.54 C ATOM 0 H VAL A 91 13.707 12.765 22.922 1.00 44.44 H new ATOM 0 HA VAL A 91 15.239 10.553 21.880 1.00 53.15 H new ATOM 0 HB VAL A 91 15.062 11.603 24.731 1.00 13.05 H new ATOM 0 HG11 VAL A 91 17.321 10.649 24.938 1.00 22.02 H new ATOM 0 HG12 VAL A 91 16.115 9.409 24.518 1.00 22.02 H new ATOM 0 HG13 VAL A 91 17.213 10.041 23.268 1.00 22.02 H new ATOM 0 HG21 VAL A 91 17.026 12.982 24.184 1.00 52.54 H new ATOM 0 HG22 VAL A 91 16.905 12.472 22.483 1.00 52.54 H new ATOM 0 HG23 VAL A 91 15.605 13.441 23.216 1.00 52.54 H new ATOM 1398 N SER A 92 12.928 10.093 24.218 1.00 50.12 N ATOM 1399 CA SER A 92 12.058 9.094 24.827 1.00 54.12 C ATOM 1400 C SER A 92 11.328 8.285 23.758 1.00 0.54 C ATOM 1401 O SER A 92 11.144 7.077 23.897 1.00 34.23 O ATOM 1402 CB SER A 92 11.044 9.767 25.754 1.00 51.30 C ATOM 1403 OG SER A 92 10.029 10.421 25.011 1.00 20.45 O ATOM 0 H SER A 92 12.792 11.041 24.569 1.00 50.12 H new ATOM 0 HA SER A 92 12.679 8.415 25.411 1.00 54.12 H new ATOM 0 HB2 SER A 92 10.595 9.021 26.410 1.00 51.30 H new ATOM 0 HB3 SER A 92 11.553 10.488 26.393 1.00 51.30 H new ATOM 0 HG SER A 92 10.432 10.893 24.252 1.00 20.45 H new ATOM 1409 N ALA A 93 10.915 8.963 22.692 1.00 62.41 N ATOM 1410 CA ALA A 93 10.208 8.308 21.598 1.00 14.34 C ATOM 1411 C ALA A 93 10.973 7.086 21.102 1.00 4.52 C ATOM 1412 O ALA A 93 10.384 6.041 20.829 1.00 34.35 O ATOM 1413 CB ALA A 93 9.977 9.288 20.458 1.00 41.34 C ATOM 0 H ALA A 93 11.058 9.965 22.563 1.00 62.41 H new ATOM 0 HA ALA A 93 9.242 7.970 21.973 1.00 14.34 H new ATOM 0 HB1 ALA A 93 9.448 8.786 19.648 1.00 41.34 H new ATOM 0 HB2 ALA A 93 9.380 10.127 20.815 1.00 41.34 H new ATOM 0 HB3 ALA A 93 10.937 9.654 20.093 1.00 41.34 H new ATOM 1419 N TYR A 94 12.289 7.226 20.987 1.00 63.23 N ATOM 1420 CA TYR A 94 13.135 6.134 20.520 1.00 64.10 C ATOM 1421 C TYR A 94 13.071 4.947 21.477 1.00 55.24 C ATOM 1422 O TYR A 94 13.041 3.793 21.049 1.00 4.54 O ATOM 1423 CB TYR A 94 14.582 6.608 20.375 1.00 5.14 C ATOM 1424 CG TYR A 94 14.806 7.516 19.187 1.00 2.33 C ATOM 1425 CD1 TYR A 94 14.614 7.056 17.890 1.00 25.34 C ATOM 1426 CD2 TYR A 94 15.210 8.834 19.361 1.00 2.14 C ATOM 1427 CE1 TYR A 94 14.818 7.881 16.802 1.00 43.52 C ATOM 1428 CE2 TYR A 94 15.415 9.667 18.279 1.00 51.32 C ATOM 1429 CZ TYR A 94 15.218 9.186 17.001 1.00 10.51 C ATOM 1430 OH TYR A 94 15.422 10.013 15.920 1.00 23.10 O ATOM 0 H TYR A 94 12.793 8.084 21.211 1.00 63.23 H new ATOM 0 HA TYR A 94 12.765 5.813 19.546 1.00 64.10 H new ATOM 0 HB2 TYR A 94 14.876 7.133 21.284 1.00 5.14 H new ATOM 0 HB3 TYR A 94 15.233 5.738 20.285 1.00 5.14 H new ATOM 0 HD1 TYR A 94 14.300 6.035 17.730 1.00 25.34 H new ATOM 0 HD2 TYR A 94 15.366 9.214 20.360 1.00 2.14 H new ATOM 0 HE1 TYR A 94 14.665 7.507 15.801 1.00 43.52 H new ATOM 0 HE2 TYR A 94 15.728 10.689 18.432 1.00 51.32 H new ATOM 0 HH TYR A 94 15.700 10.899 16.234 1.00 23.10 H new ATOM 1440 N GLN A 95 13.048 5.241 22.773 1.00 75.14 N ATOM 1441 CA GLN A 95 12.986 4.199 23.791 1.00 60.24 C ATOM 1442 C GLN A 95 11.711 3.375 23.650 1.00 75.34 C ATOM 1443 O GLN A 95 11.662 2.215 24.060 1.00 53.51 O ATOM 1444 CB GLN A 95 13.056 4.817 25.188 1.00 22.21 C ATOM 1445 CG GLN A 95 14.315 5.634 25.429 1.00 10.15 C ATOM 1446 CD GLN A 95 15.575 4.904 25.007 1.00 53.10 C ATOM 1447 OE1 GLN A 95 15.840 3.789 25.456 1.00 73.52 O ATOM 1448 NE2 GLN A 95 16.360 5.531 24.139 1.00 53.32 N ATOM 0 H GLN A 95 13.071 6.191 23.143 1.00 75.14 H new ATOM 0 HA GLN A 95 13.841 3.538 23.651 1.00 60.24 H new ATOM 0 HB2 GLN A 95 12.185 5.455 25.338 1.00 22.21 H new ATOM 0 HB3 GLN A 95 13.001 4.022 25.931 1.00 22.21 H new ATOM 0 HG2 GLN A 95 14.244 6.574 24.882 1.00 10.15 H new ATOM 0 HG3 GLN A 95 14.383 5.886 26.487 1.00 10.15 H new ATOM 0 HE21 GLN A 95 16.102 6.455 23.793 1.00 53.32 H new ATOM 0 HE22 GLN A 95 17.221 5.089 23.819 1.00 53.32 H new ATOM 1457 N GLN A 96 10.681 3.981 23.067 1.00 2.34 N ATOM 1458 CA GLN A 96 9.405 3.303 22.874 1.00 62.13 C ATOM 1459 C GLN A 96 9.355 2.617 21.513 1.00 75.43 C ATOM 1460 O GLN A 96 8.550 1.713 21.292 1.00 74.14 O ATOM 1461 CB GLN A 96 8.250 4.298 23.000 1.00 43.04 C ATOM 1462 CG GLN A 96 7.466 4.159 24.294 1.00 1.44 C ATOM 1463 CD GLN A 96 6.648 5.394 24.616 1.00 15.21 C ATOM 1464 OE1 GLN A 96 5.535 5.563 24.116 1.00 32.04 O ATOM 1465 NE2 GLN A 96 7.195 6.266 25.455 1.00 62.12 N ATOM 0 H GLN A 96 10.706 4.940 22.720 1.00 2.34 H new ATOM 0 HA GLN A 96 9.305 2.542 23.648 1.00 62.13 H new ATOM 0 HB2 GLN A 96 8.645 5.311 22.932 1.00 43.04 H new ATOM 0 HB3 GLN A 96 7.572 4.163 22.158 1.00 43.04 H new ATOM 0 HG2 GLN A 96 6.803 3.297 24.222 1.00 1.44 H new ATOM 0 HG3 GLN A 96 8.157 3.962 25.114 1.00 1.44 H new ATOM 0 HE21 GLN A 96 8.120 6.086 25.846 1.00 62.12 H new ATOM 0 HE22 GLN A 96 6.690 7.115 25.708 1.00 62.12 H new ATOM 1474 N GLY A 97 10.220 3.053 20.603 1.00 64.23 N ATOM 1475 CA GLY A 97 10.257 2.470 19.274 1.00 22.53 C ATOM 1476 C GLY A 97 9.909 3.471 18.191 1.00 4.43 C ATOM 1477 O GLY A 97 9.325 3.113 17.169 1.00 24.02 O ATOM 0 H GLY A 97 10.896 3.800 20.762 1.00 64.23 H new ATOM 0 HA2 GLY A 97 11.252 2.067 19.085 1.00 22.53 H new ATOM 0 HA3 GLY A 97 9.560 1.633 19.228 1.00 22.53 H new ATOM 1481 N ALA A 98 10.268 4.731 18.416 1.00 55.40 N ATOM 1482 CA ALA A 98 9.990 5.788 17.451 1.00 10.10 C ATOM 1483 C ALA A 98 10.541 5.433 16.074 1.00 31.22 C ATOM 1484 O ALA A 98 11.392 4.553 15.943 1.00 4.22 O ATOM 1485 CB ALA A 98 10.575 7.108 17.931 1.00 11.11 C ATOM 0 H ALA A 98 10.752 5.044 19.258 1.00 55.40 H new ATOM 0 HA ALA A 98 8.908 5.892 17.365 1.00 10.10 H new ATOM 0 HB1 ALA A 98 10.360 7.888 17.201 1.00 11.11 H new ATOM 0 HB2 ALA A 98 10.131 7.376 18.890 1.00 11.11 H new ATOM 0 HB3 ALA A 98 11.654 7.007 18.047 1.00 11.11 H new ATOM 1491 N PHE A 99 10.049 6.122 15.050 1.00 62.54 N ATOM 1492 CA PHE A 99 10.491 5.877 13.682 1.00 44.14 C ATOM 1493 C PHE A 99 11.472 6.954 13.226 1.00 11.14 C ATOM 1494 O PHE A 99 12.507 6.655 12.631 1.00 22.43 O ATOM 1495 CB PHE A 99 9.290 5.832 12.735 1.00 0.21 C ATOM 1496 CG PHE A 99 9.606 5.237 11.393 1.00 63.11 C ATOM 1497 CD1 PHE A 99 9.574 3.865 11.204 1.00 61.32 C ATOM 1498 CD2 PHE A 99 9.936 6.050 10.320 1.00 23.33 C ATOM 1499 CE1 PHE A 99 9.864 3.314 9.970 1.00 62.31 C ATOM 1500 CE2 PHE A 99 10.227 5.504 9.084 1.00 10.40 C ATOM 1501 CZ PHE A 99 10.192 4.135 8.909 1.00 61.31 C ATOM 0 H PHE A 99 9.345 6.854 15.141 1.00 62.54 H new ATOM 0 HA PHE A 99 11.000 4.913 13.659 1.00 44.14 H new ATOM 0 HB2 PHE A 99 8.492 5.254 13.201 1.00 0.21 H new ATOM 0 HB3 PHE A 99 8.910 6.844 12.594 1.00 0.21 H new ATOM 0 HD1 PHE A 99 9.319 3.218 12.031 1.00 61.32 H new ATOM 0 HD2 PHE A 99 9.966 7.122 10.451 1.00 23.33 H new ATOM 0 HE1 PHE A 99 9.834 2.243 9.836 1.00 62.31 H new ATOM 0 HE2 PHE A 99 10.482 6.148 8.255 1.00 10.40 H new ATOM 0 HZ PHE A 99 10.421 3.707 7.944 1.00 61.31 H new ATOM 1511 N ASP A 100 11.137 8.208 13.510 1.00 64.00 N ATOM 1512 CA ASP A 100 11.987 9.331 13.131 1.00 65.53 C ATOM 1513 C ASP A 100 11.398 10.649 13.622 1.00 30.11 C ATOM 1514 O ASP A 100 10.306 10.679 14.190 1.00 21.14 O ATOM 1515 CB ASP A 100 12.167 9.372 11.612 1.00 15.13 C ATOM 1516 CG ASP A 100 13.624 9.318 11.200 1.00 43.24 C ATOM 1517 OD1 ASP A 100 14.345 8.420 11.683 1.00 15.11 O ATOM 1518 OD2 ASP A 100 14.045 10.175 10.394 1.00 62.44 O ATOM 0 H ASP A 100 10.283 8.472 14.001 1.00 64.00 H new ATOM 0 HA ASP A 100 12.961 9.192 13.601 1.00 65.53 H new ATOM 0 HB2 ASP A 100 11.634 8.534 11.163 1.00 15.13 H new ATOM 0 HB3 ASP A 100 11.715 10.283 11.220 1.00 15.13 H new ATOM 1523 N TYR A 101 12.128 11.736 13.401 1.00 51.45 N ATOM 1524 CA TYR A 101 11.679 13.057 13.824 1.00 41.51 C ATOM 1525 C TYR A 101 11.478 13.975 12.622 1.00 12.51 C ATOM 1526 O TYR A 101 12.438 14.366 11.957 1.00 53.55 O ATOM 1527 CB TYR A 101 12.690 13.677 14.790 1.00 44.54 C ATOM 1528 CG TYR A 101 12.209 14.959 15.430 1.00 15.53 C ATOM 1529 CD1 TYR A 101 10.976 15.019 16.070 1.00 64.11 C ATOM 1530 CD2 TYR A 101 12.984 16.111 15.395 1.00 5.42 C ATOM 1531 CE1 TYR A 101 10.532 16.188 16.656 1.00 14.11 C ATOM 1532 CE2 TYR A 101 12.548 17.284 15.980 1.00 44.51 C ATOM 1533 CZ TYR A 101 11.321 17.318 16.609 1.00 63.11 C ATOM 1534 OH TYR A 101 10.883 18.485 17.191 1.00 33.03 O ATOM 0 H TYR A 101 13.033 11.729 12.931 1.00 51.45 H new ATOM 0 HA TYR A 101 10.723 12.942 14.334 1.00 41.51 H new ATOM 0 HB2 TYR A 101 12.922 12.955 15.573 1.00 44.54 H new ATOM 0 HB3 TYR A 101 13.618 13.875 14.254 1.00 44.54 H new ATOM 0 HD1 TYR A 101 10.355 14.136 16.109 1.00 64.11 H new ATOM 0 HD2 TYR A 101 13.945 16.089 14.902 1.00 5.42 H new ATOM 0 HE1 TYR A 101 9.571 16.217 17.149 1.00 14.11 H new ATOM 0 HE2 TYR A 101 13.165 18.170 15.945 1.00 44.51 H new ATOM 0 HH TYR A 101 10.701 19.150 16.494 1.00 33.03 H new ATOM 1544 N LEU A 102 10.223 14.316 12.350 1.00 0.43 N ATOM 1545 CA LEU A 102 9.893 15.190 11.229 1.00 22.51 C ATOM 1546 C LEU A 102 9.355 16.529 11.722 1.00 42.00 C ATOM 1547 O LEU A 102 8.153 16.792 11.692 1.00 73.11 O ATOM 1548 CB LEU A 102 8.864 14.517 10.319 1.00 14.12 C ATOM 1549 CG LEU A 102 8.689 15.135 8.931 1.00 25.23 C ATOM 1550 CD1 LEU A 102 10.002 15.103 8.164 1.00 4.35 C ATOM 1551 CD2 LEU A 102 7.600 14.408 8.157 1.00 72.21 C ATOM 0 H LEU A 102 9.417 14.001 12.890 1.00 0.43 H new ATOM 0 HA LEU A 102 10.806 15.374 10.662 1.00 22.51 H new ATOM 0 HB2 LEU A 102 9.146 13.471 10.196 1.00 14.12 H new ATOM 0 HB3 LEU A 102 7.898 14.529 10.825 1.00 14.12 H new ATOM 0 HG LEU A 102 8.387 16.175 9.053 1.00 25.23 H new ATOM 0 HD11 LEU A 102 9.859 15.547 7.179 1.00 4.35 H new ATOM 0 HD12 LEU A 102 10.757 15.669 8.711 1.00 4.35 H new ATOM 0 HD13 LEU A 102 10.333 14.071 8.052 1.00 4.35 H new ATOM 0 HD21 LEU A 102 7.489 14.861 7.172 1.00 72.21 H new ATOM 0 HD22 LEU A 102 7.872 13.358 8.045 1.00 72.21 H new ATOM 0 HD23 LEU A 102 6.657 14.483 8.699 1.00 72.21 H new ATOM 1563 N PRO A 103 10.266 17.398 12.185 1.00 15.41 N ATOM 1564 CA PRO A 103 9.906 18.727 12.691 1.00 62.44 C ATOM 1565 C PRO A 103 9.435 19.661 11.582 1.00 75.14 C ATOM 1566 O PRO A 103 9.862 19.544 10.433 1.00 61.20 O ATOM 1567 CB PRO A 103 11.213 19.239 13.302 1.00 72.03 C ATOM 1568 CG PRO A 103 12.285 18.506 12.572 1.00 22.23 C ATOM 1569 CD PRO A 103 11.716 17.152 12.250 1.00 32.24 C ATOM 0 HA PRO A 103 9.077 18.684 13.397 1.00 62.44 H new ATOM 0 HB2 PRO A 103 11.314 20.317 13.175 1.00 72.03 H new ATOM 0 HB3 PRO A 103 11.255 19.039 14.373 1.00 72.03 H new ATOM 0 HG2 PRO A 103 12.570 19.036 11.663 1.00 22.23 H new ATOM 0 HG3 PRO A 103 13.183 18.417 13.184 1.00 22.23 H new ATOM 0 HD2 PRO A 103 12.101 16.769 11.305 1.00 32.24 H new ATOM 0 HD3 PRO A 103 11.965 16.419 13.017 1.00 32.24 H new ATOM 1577 N LYS A 104 8.551 20.589 11.932 1.00 13.03 N ATOM 1578 CA LYS A 104 8.021 21.546 10.967 1.00 24.55 C ATOM 1579 C LYS A 104 8.632 22.927 11.180 1.00 14.22 C ATOM 1580 O LYS A 104 9.113 23.260 12.264 1.00 73.43 O ATOM 1581 CB LYS A 104 6.497 21.626 11.082 1.00 45.22 C ATOM 1582 CG LYS A 104 5.995 21.644 12.515 1.00 22.31 C ATOM 1583 CD LYS A 104 4.496 21.886 12.578 1.00 45.31 C ATOM 1584 CE LYS A 104 3.898 21.346 13.867 1.00 31.34 C ATOM 1585 NZ LYS A 104 3.625 22.431 14.850 1.00 55.13 N ATOM 0 H LYS A 104 8.186 20.699 12.878 1.00 13.03 H new ATOM 0 HA LYS A 104 8.286 21.202 9.967 1.00 24.55 H new ATOM 0 HB2 LYS A 104 6.149 22.525 10.573 1.00 45.22 H new ATOM 0 HB3 LYS A 104 6.057 20.775 10.562 1.00 45.22 H new ATOM 0 HG2 LYS A 104 6.232 20.695 12.996 1.00 22.31 H new ATOM 0 HG3 LYS A 104 6.514 22.423 13.074 1.00 22.31 H new ATOM 0 HD2 LYS A 104 4.295 22.955 12.502 1.00 45.31 H new ATOM 0 HD3 LYS A 104 4.013 21.410 11.724 1.00 45.31 H new ATOM 0 HE2 LYS A 104 2.972 20.817 13.644 1.00 31.34 H new ATOM 0 HE3 LYS A 104 4.581 20.620 14.308 1.00 31.34 H new ATOM 0 HZ1 LYS A 104 3.126 22.037 15.673 1.00 55.13 H new ATOM 0 HZ2 LYS A 104 4.524 22.853 15.160 1.00 55.13 H new ATOM 0 HZ3 LYS A 104 3.035 23.162 14.405 1.00 55.13 H new ATOM 1599 N PRO A 105 8.611 23.753 10.124 1.00 44.14 N ATOM 1600 CA PRO A 105 8.042 23.368 8.829 1.00 50.32 C ATOM 1601 C PRO A 105 8.884 22.317 8.115 1.00 63.34 C ATOM 1602 O PRO A 105 10.113 22.330 8.197 1.00 54.22 O ATOM 1603 CB PRO A 105 8.040 24.679 8.038 1.00 2.14 C ATOM 1604 CG PRO A 105 9.125 25.494 8.653 1.00 22.24 C ATOM 1605 CD PRO A 105 9.143 25.126 10.111 1.00 4.24 C ATOM 0 HA PRO A 105 7.055 22.917 8.936 1.00 50.32 H new ATOM 0 HB2 PRO A 105 8.229 24.503 6.979 1.00 2.14 H new ATOM 0 HB3 PRO A 105 7.076 25.183 8.110 1.00 2.14 H new ATOM 0 HG2 PRO A 105 10.086 25.281 8.185 1.00 22.24 H new ATOM 0 HG3 PRO A 105 8.935 26.559 8.522 1.00 22.24 H new ATOM 0 HD2 PRO A 105 10.151 25.170 10.524 1.00 4.24 H new ATOM 0 HD3 PRO A 105 8.526 25.802 10.703 1.00 4.24 H new ATOM 1613 N PHE A 106 8.216 21.407 7.414 1.00 64.54 N ATOM 1614 CA PHE A 106 8.904 20.347 6.685 1.00 61.10 C ATOM 1615 C PHE A 106 8.432 20.289 5.235 1.00 34.43 C ATOM 1616 O PHE A 106 7.489 20.980 4.850 1.00 35.02 O ATOM 1617 CB PHE A 106 8.669 18.996 7.365 1.00 43.35 C ATOM 1618 CG PHE A 106 7.255 18.504 7.248 1.00 51.42 C ATOM 1619 CD1 PHE A 106 6.865 17.726 6.170 1.00 12.10 C ATOM 1620 CD2 PHE A 106 6.315 18.821 8.216 1.00 64.12 C ATOM 1621 CE1 PHE A 106 5.564 17.272 6.060 1.00 61.52 C ATOM 1622 CE2 PHE A 106 5.014 18.369 8.111 1.00 35.12 C ATOM 1623 CZ PHE A 106 4.637 17.594 7.031 1.00 1.33 C ATOM 0 H PHE A 106 7.199 21.382 7.335 1.00 64.54 H new ATOM 0 HA PHE A 106 9.971 20.569 6.692 1.00 61.10 H new ATOM 0 HB2 PHE A 106 9.340 18.257 6.928 1.00 43.35 H new ATOM 0 HB3 PHE A 106 8.930 19.079 8.420 1.00 43.35 H new ATOM 0 HD1 PHE A 106 7.586 17.471 5.407 1.00 12.10 H new ATOM 0 HD2 PHE A 106 6.603 19.428 9.062 1.00 64.12 H new ATOM 0 HE1 PHE A 106 5.273 16.666 5.215 1.00 61.52 H new ATOM 0 HE2 PHE A 106 4.291 18.621 8.873 1.00 35.12 H new ATOM 0 HZ PHE A 106 3.620 17.241 6.947 1.00 1.33 H new ATOM 1633 N ASP A 107 9.094 19.459 4.436 1.00 2.45 N ATOM 1634 CA ASP A 107 8.743 19.309 3.029 1.00 13.41 C ATOM 1635 C ASP A 107 7.863 18.081 2.817 1.00 41.34 C ATOM 1636 O ASP A 107 8.331 16.946 2.912 1.00 3.51 O ATOM 1637 CB ASP A 107 10.007 19.201 2.175 1.00 74.14 C ATOM 1638 CG ASP A 107 10.825 20.477 2.188 1.00 65.34 C ATOM 1639 OD1 ASP A 107 10.256 21.551 1.900 1.00 21.41 O ATOM 1640 OD2 ASP A 107 12.036 20.401 2.486 1.00 15.52 O ATOM 0 H ASP A 107 9.877 18.880 4.739 1.00 2.45 H new ATOM 0 HA ASP A 107 8.182 20.192 2.723 1.00 13.41 H new ATOM 0 HB2 ASP A 107 10.619 18.377 2.540 1.00 74.14 H new ATOM 0 HB3 ASP A 107 9.729 18.961 1.149 1.00 74.14 H new ATOM 1645 N ILE A 108 6.587 18.316 2.529 1.00 3.32 N ATOM 1646 CA ILE A 108 5.643 17.229 2.303 1.00 11.34 C ATOM 1647 C ILE A 108 6.174 16.247 1.265 1.00 33.31 C ATOM 1648 O ILE A 108 5.821 15.067 1.275 1.00 42.15 O ATOM 1649 CB ILE A 108 4.274 17.760 1.838 1.00 10.35 C ATOM 1650 CG1 ILE A 108 4.371 18.302 0.411 1.00 73.23 C ATOM 1651 CG2 ILE A 108 3.774 18.839 2.787 1.00 4.44 C ATOM 1652 CD1 ILE A 108 5.184 19.572 0.300 1.00 1.42 C ATOM 0 H ILE A 108 6.184 19.249 2.447 1.00 3.32 H new ATOM 0 HA ILE A 108 5.519 16.715 3.256 1.00 11.34 H new ATOM 0 HB ILE A 108 3.560 16.937 1.846 1.00 10.35 H new ATOM 0 HG12 ILE A 108 4.815 17.539 -0.229 1.00 73.23 H new ATOM 0 HG13 ILE A 108 3.366 18.490 0.033 1.00 73.23 H new ATOM 0 HG21 ILE A 108 2.806 19.204 2.445 1.00 4.44 H new ATOM 0 HG22 ILE A 108 3.672 18.423 3.789 1.00 4.44 H new ATOM 0 HG23 ILE A 108 4.486 19.664 2.808 1.00 4.44 H new ATOM 0 HD11 ILE A 108 5.209 19.898 -0.740 1.00 1.42 H new ATOM 0 HD12 ILE A 108 4.729 20.350 0.913 1.00 1.42 H new ATOM 0 HD13 ILE A 108 6.200 19.385 0.647 1.00 1.42 H new ATOM 1664 N ASP A 109 7.024 16.740 0.372 1.00 2.41 N ATOM 1665 CA ASP A 109 7.607 15.905 -0.672 1.00 10.41 C ATOM 1666 C ASP A 109 8.381 14.739 -0.066 1.00 32.31 C ATOM 1667 O ASP A 109 8.336 13.620 -0.577 1.00 12.31 O ATOM 1668 CB ASP A 109 8.530 16.737 -1.564 1.00 53.11 C ATOM 1669 CG ASP A 109 8.005 16.864 -2.981 1.00 11.43 C ATOM 1670 OD1 ASP A 109 7.703 15.821 -3.598 1.00 15.32 O ATOM 1671 OD2 ASP A 109 7.896 18.007 -3.472 1.00 52.01 O ATOM 0 H ASP A 109 7.325 17.714 0.350 1.00 2.41 H new ATOM 0 HA ASP A 109 6.795 15.503 -1.277 1.00 10.41 H new ATOM 0 HB2 ASP A 109 8.648 17.731 -1.133 1.00 53.11 H new ATOM 0 HB3 ASP A 109 9.519 16.279 -1.586 1.00 53.11 H new ATOM 1676 N GLU A 110 9.090 15.009 1.025 1.00 24.13 N ATOM 1677 CA GLU A 110 9.876 13.981 1.699 1.00 54.21 C ATOM 1678 C GLU A 110 9.021 13.215 2.704 1.00 14.02 C ATOM 1679 O GLU A 110 9.340 12.085 3.072 1.00 34.03 O ATOM 1680 CB GLU A 110 11.077 14.609 2.409 1.00 51.24 C ATOM 1681 CG GLU A 110 12.043 13.589 2.988 1.00 11.51 C ATOM 1682 CD GLU A 110 12.775 12.805 1.917 1.00 41.03 C ATOM 1683 OE1 GLU A 110 12.143 11.933 1.284 1.00 12.31 O ATOM 1684 OE2 GLU A 110 13.980 13.062 1.711 1.00 15.20 O ATOM 0 H GLU A 110 9.137 15.930 1.461 1.00 24.13 H new ATOM 0 HA GLU A 110 10.235 13.281 0.944 1.00 54.21 H new ATOM 0 HB2 GLU A 110 11.613 15.245 1.705 1.00 51.24 H new ATOM 0 HB3 GLU A 110 10.718 15.253 3.211 1.00 51.24 H new ATOM 0 HG2 GLU A 110 12.770 14.100 3.619 1.00 11.51 H new ATOM 0 HG3 GLU A 110 11.495 12.898 3.628 1.00 11.51 H new ATOM 1691 N ALA A 111 7.933 13.839 3.144 1.00 1.44 N ATOM 1692 CA ALA A 111 7.031 13.217 4.105 1.00 22.15 C ATOM 1693 C ALA A 111 6.154 12.166 3.434 1.00 72.20 C ATOM 1694 O ALA A 111 5.952 11.076 3.971 1.00 53.45 O ATOM 1695 CB ALA A 111 6.169 14.273 4.781 1.00 4.13 C ATOM 0 H ALA A 111 7.655 14.775 2.850 1.00 1.44 H new ATOM 0 HA ALA A 111 7.636 12.718 4.863 1.00 22.15 H new ATOM 0 HB1 ALA A 111 5.500 13.794 5.496 1.00 4.13 H new ATOM 0 HB2 ALA A 111 6.808 14.985 5.303 1.00 4.13 H new ATOM 0 HB3 ALA A 111 5.580 14.798 4.029 1.00 4.13 H new ATOM 1701 N VAL A 112 5.634 12.500 2.257 1.00 32.21 N ATOM 1702 CA VAL A 112 4.778 11.584 1.512 1.00 40.31 C ATOM 1703 C VAL A 112 5.434 10.216 1.364 1.00 41.21 C ATOM 1704 O VAL A 112 4.762 9.186 1.405 1.00 53.45 O ATOM 1705 CB VAL A 112 4.448 12.137 0.113 1.00 44.53 C ATOM 1706 CG1 VAL A 112 3.671 11.111 -0.698 1.00 2.52 C ATOM 1707 CG2 VAL A 112 3.671 13.440 0.225 1.00 41.32 C ATOM 0 H VAL A 112 5.790 13.398 1.799 1.00 32.21 H new ATOM 0 HA VAL A 112 3.854 11.481 2.081 1.00 40.31 H new ATOM 0 HB VAL A 112 5.384 12.342 -0.407 1.00 44.53 H new ATOM 0 HG11 VAL A 112 3.447 11.520 -1.683 1.00 2.52 H new ATOM 0 HG12 VAL A 112 4.268 10.206 -0.808 1.00 2.52 H new ATOM 0 HG13 VAL A 112 2.740 10.871 -0.185 1.00 2.52 H new ATOM 0 HG21 VAL A 112 3.446 13.817 -0.773 1.00 41.32 H new ATOM 0 HG22 VAL A 112 2.740 13.263 0.764 1.00 41.32 H new ATOM 0 HG23 VAL A 112 4.269 14.175 0.764 1.00 41.32 H new ATOM 1717 N ALA A 113 6.752 10.214 1.193 1.00 60.54 N ATOM 1718 CA ALA A 113 7.500 8.972 1.041 1.00 22.21 C ATOM 1719 C ALA A 113 7.838 8.366 2.399 1.00 64.52 C ATOM 1720 O ALA A 113 7.975 7.148 2.530 1.00 3.41 O ATOM 1721 CB ALA A 113 8.770 9.215 0.238 1.00 13.05 C ATOM 0 H ALA A 113 7.323 11.058 1.156 1.00 60.54 H new ATOM 0 HA ALA A 113 6.873 8.262 0.501 1.00 22.21 H new ATOM 0 HB1 ALA A 113 9.318 8.279 0.132 1.00 13.05 H new ATOM 0 HB2 ALA A 113 8.509 9.596 -0.749 1.00 13.05 H new ATOM 0 HB3 ALA A 113 9.393 9.944 0.755 1.00 13.05 H new ATOM 1727 N LEU A 114 7.973 9.221 3.406 1.00 33.24 N ATOM 1728 CA LEU A 114 8.296 8.769 4.755 1.00 11.23 C ATOM 1729 C LEU A 114 7.083 8.126 5.420 1.00 52.14 C ATOM 1730 O LEU A 114 7.221 7.259 6.283 1.00 41.14 O ATOM 1731 CB LEU A 114 8.793 9.942 5.602 1.00 50.53 C ATOM 1732 CG LEU A 114 8.826 9.713 7.113 1.00 10.22 C ATOM 1733 CD1 LEU A 114 9.986 8.805 7.490 1.00 32.51 C ATOM 1734 CD2 LEU A 114 8.924 11.040 7.852 1.00 53.01 C ATOM 0 H LEU A 114 7.864 10.231 3.314 1.00 33.24 H new ATOM 0 HA LEU A 114 9.086 8.021 4.681 1.00 11.23 H new ATOM 0 HB2 LEU A 114 9.799 10.202 5.272 1.00 50.53 H new ATOM 0 HB3 LEU A 114 8.158 10.805 5.399 1.00 50.53 H new ATOM 0 HG LEU A 114 7.897 9.224 7.407 1.00 10.22 H new ATOM 0 HD11 LEU A 114 9.993 8.653 8.569 1.00 32.51 H new ATOM 0 HD12 LEU A 114 9.873 7.843 6.989 1.00 32.51 H new ATOM 0 HD13 LEU A 114 10.924 9.266 7.182 1.00 32.51 H new ATOM 0 HD21 LEU A 114 8.946 10.857 8.926 1.00 53.01 H new ATOM 0 HD22 LEU A 114 9.836 11.557 7.553 1.00 53.01 H new ATOM 0 HD23 LEU A 114 8.060 11.658 7.607 1.00 53.01 H new ATOM 1746 N VAL A 115 5.893 8.555 5.010 1.00 43.31 N ATOM 1747 CA VAL A 115 4.655 8.019 5.563 1.00 42.23 C ATOM 1748 C VAL A 115 4.526 6.527 5.277 1.00 44.31 C ATOM 1749 O VAL A 115 4.154 5.748 6.153 1.00 23.22 O ATOM 1750 CB VAL A 115 3.424 8.748 4.992 1.00 10.13 C ATOM 1751 CG1 VAL A 115 2.143 8.154 5.557 1.00 14.30 C ATOM 1752 CG2 VAL A 115 3.505 10.239 5.285 1.00 31.30 C ATOM 0 H VAL A 115 5.761 9.272 4.297 1.00 43.31 H new ATOM 0 HA VAL A 115 4.695 8.177 6.641 1.00 42.23 H new ATOM 0 HB VAL A 115 3.412 8.614 3.910 1.00 10.13 H new ATOM 0 HG11 VAL A 115 1.284 8.681 5.143 1.00 14.30 H new ATOM 0 HG12 VAL A 115 2.083 7.098 5.292 1.00 14.30 H new ATOM 0 HG13 VAL A 115 2.142 8.256 6.642 1.00 14.30 H new ATOM 0 HG21 VAL A 115 2.627 10.739 4.875 1.00 31.30 H new ATOM 0 HG22 VAL A 115 3.541 10.397 6.363 1.00 31.30 H new ATOM 0 HG23 VAL A 115 4.404 10.651 4.828 1.00 31.30 H new ATOM 1762 N GLU A 116 4.837 6.137 4.045 1.00 43.34 N ATOM 1763 CA GLU A 116 4.756 4.738 3.644 1.00 73.34 C ATOM 1764 C GLU A 116 6.016 3.980 4.052 1.00 41.52 C ATOM 1765 O GLU A 116 6.012 2.753 4.147 1.00 42.03 O ATOM 1766 CB GLU A 116 4.549 4.629 2.131 1.00 22.44 C ATOM 1767 CG GLU A 116 5.573 5.404 1.320 1.00 64.23 C ATOM 1768 CD GLU A 116 5.947 4.702 0.028 1.00 31.15 C ATOM 1769 OE1 GLU A 116 6.154 3.471 0.060 1.00 4.11 O ATOM 1770 OE2 GLU A 116 6.031 5.385 -1.014 1.00 63.50 O ATOM 0 H GLU A 116 5.147 6.770 3.308 1.00 43.34 H new ATOM 0 HA GLU A 116 3.903 4.290 4.154 1.00 73.34 H new ATOM 0 HB2 GLU A 116 4.588 3.579 1.842 1.00 22.44 H new ATOM 0 HB3 GLU A 116 3.551 4.991 1.882 1.00 22.44 H new ATOM 0 HG2 GLU A 116 5.176 6.393 1.090 1.00 64.23 H new ATOM 0 HG3 GLU A 116 6.470 5.553 1.921 1.00 64.23 H new ATOM 1777 N ARG A 117 7.093 4.722 4.291 1.00 30.54 N ATOM 1778 CA ARG A 117 8.361 4.121 4.687 1.00 20.15 C ATOM 1779 C ARG A 117 8.157 3.114 5.815 1.00 33.42 C ATOM 1780 O ARG A 117 8.706 2.013 5.785 1.00 61.24 O ATOM 1781 CB ARG A 117 9.347 5.204 5.129 1.00 11.11 C ATOM 1782 CG ARG A 117 10.542 5.354 4.202 1.00 3.15 C ATOM 1783 CD ARG A 117 11.853 5.318 4.973 1.00 14.33 C ATOM 1784 NE ARG A 117 12.469 3.995 4.944 1.00 70.42 N ATOM 1785 CZ ARG A 117 13.140 3.519 3.900 1.00 15.33 C ATOM 1786 NH1 ARG A 117 13.280 4.256 2.807 1.00 73.22 N ATOM 1787 NH2 ARG A 117 13.672 2.305 3.949 1.00 31.15 N ATOM 0 H ARG A 117 7.113 5.739 4.217 1.00 30.54 H new ATOM 0 HA ARG A 117 8.770 3.596 3.824 1.00 20.15 H new ATOM 0 HB2 ARG A 117 8.823 6.158 5.190 1.00 11.11 H new ATOM 0 HB3 ARG A 117 9.703 4.972 6.133 1.00 11.11 H new ATOM 0 HG2 ARG A 117 10.532 4.554 3.461 1.00 3.15 H new ATOM 0 HG3 ARG A 117 10.465 6.295 3.657 1.00 3.15 H new ATOM 0 HD2 ARG A 117 12.543 6.048 4.550 1.00 14.33 H new ATOM 0 HD3 ARG A 117 11.673 5.612 6.007 1.00 14.33 H new ATOM 0 HE ARG A 117 12.380 3.403 5.770 1.00 70.42 H new ATOM 0 HH11 ARG A 117 12.872 5.190 2.766 1.00 73.22 H new ATOM 0 HH12 ARG A 117 13.795 3.889 2.007 1.00 73.22 H new ATOM 0 HH21 ARG A 117 13.566 1.735 4.789 1.00 31.15 H new ATOM 0 HH22 ARG A 117 14.187 1.941 3.147 1.00 31.15 H new ATOM 1801 N ALA A 118 7.363 3.499 6.809 1.00 25.04 N ATOM 1802 CA ALA A 118 7.086 2.630 7.946 1.00 75.41 C ATOM 1803 C ALA A 118 5.938 1.674 7.638 1.00 32.12 C ATOM 1804 O ALA A 118 5.974 0.503 8.018 1.00 12.24 O ATOM 1805 CB ALA A 118 6.767 3.460 9.180 1.00 12.12 C ATOM 0 H ALA A 118 6.900 4.407 6.850 1.00 25.04 H new ATOM 0 HA ALA A 118 7.978 2.035 8.143 1.00 75.41 H new ATOM 0 HB1 ALA A 118 6.562 2.798 10.021 1.00 12.12 H new ATOM 0 HB2 ALA A 118 7.618 4.098 9.419 1.00 12.12 H new ATOM 0 HB3 ALA A 118 5.892 4.080 8.985 1.00 12.12 H new ATOM 1811 N ILE A 119 4.921 2.180 6.949 1.00 40.32 N ATOM 1812 CA ILE A 119 3.763 1.371 6.590 1.00 22.33 C ATOM 1813 C ILE A 119 4.182 0.123 5.821 1.00 61.33 C ATOM 1814 O ILE A 119 3.574 -0.938 5.960 1.00 31.42 O ATOM 1815 CB ILE A 119 2.758 2.171 5.741 1.00 60.21 C ATOM 1816 CG1 ILE A 119 2.284 3.409 6.504 1.00 2.40 C ATOM 1817 CG2 ILE A 119 1.575 1.295 5.355 1.00 23.02 C ATOM 1818 CD1 ILE A 119 1.626 4.447 5.622 1.00 2.42 C ATOM 0 H ILE A 119 4.875 3.147 6.628 1.00 40.32 H new ATOM 0 HA ILE A 119 3.283 1.076 7.523 1.00 22.33 H new ATOM 0 HB ILE A 119 3.256 2.498 4.828 1.00 60.21 H new ATOM 0 HG12 ILE A 119 1.580 3.102 7.277 1.00 2.40 H new ATOM 0 HG13 ILE A 119 3.136 3.862 7.011 1.00 2.40 H new ATOM 0 HG21 ILE A 119 0.873 1.875 4.755 1.00 23.02 H new ATOM 0 HG22 ILE A 119 1.928 0.441 4.777 1.00 23.02 H new ATOM 0 HG23 ILE A 119 1.075 0.941 6.257 1.00 23.02 H new ATOM 0 HD11 ILE A 119 1.315 5.297 6.230 1.00 2.42 H new ATOM 0 HD12 ILE A 119 2.334 4.783 4.865 1.00 2.42 H new ATOM 0 HD13 ILE A 119 0.754 4.011 5.135 1.00 2.42 H new ATOM 1830 N SER A 120 5.226 0.257 5.009 1.00 2.13 N ATOM 1831 CA SER A 120 5.726 -0.859 4.215 1.00 21.24 C ATOM 1832 C SER A 120 6.490 -1.848 5.090 1.00 25.50 C ATOM 1833 O SER A 120 6.689 -3.004 4.713 1.00 42.22 O ATOM 1834 CB SER A 120 6.631 -0.349 3.092 1.00 30.13 C ATOM 1835 OG SER A 120 7.999 -0.505 3.429 1.00 53.32 O ATOM 0 H SER A 120 5.742 1.128 4.884 1.00 2.13 H new ATOM 0 HA SER A 120 4.871 -1.373 3.777 1.00 21.24 H new ATOM 0 HB2 SER A 120 6.416 -0.892 2.172 1.00 30.13 H new ATOM 0 HB3 SER A 120 6.418 0.702 2.898 1.00 30.13 H new ATOM 0 HG SER A 120 8.557 -0.173 2.695 1.00 53.32 H new ATOM 1841 N HIS A 121 6.917 -1.386 6.261 1.00 22.41 N ATOM 1842 CA HIS A 121 7.660 -2.230 7.191 1.00 12.20 C ATOM 1843 C HIS A 121 6.814 -3.416 7.643 1.00 75.22 C ATOM 1844 O HIS A 121 7.315 -4.533 7.779 1.00 14.42 O ATOM 1845 CB HIS A 121 8.107 -1.415 8.405 1.00 32.55 C ATOM 1846 CG HIS A 121 9.155 -2.097 9.230 1.00 2.53 C ATOM 1847 ND1 HIS A 121 10.491 -2.107 8.890 1.00 4.31 N ATOM 1848 CD2 HIS A 121 9.058 -2.792 10.387 1.00 12.15 C ATOM 1849 CE1 HIS A 121 11.170 -2.780 9.801 1.00 24.34 C ATOM 1850 NE2 HIS A 121 10.324 -3.206 10.721 1.00 33.33 N ATOM 0 H HIS A 121 6.762 -0.433 6.589 1.00 22.41 H new ATOM 0 HA HIS A 121 8.541 -2.611 6.674 1.00 12.20 H new ATOM 0 HB2 HIS A 121 8.492 -0.454 8.065 1.00 32.55 H new ATOM 0 HB3 HIS A 121 7.240 -1.207 9.032 1.00 32.55 H new ATOM 0 HD2 HIS A 121 8.153 -2.985 10.944 1.00 12.15 H new ATOM 0 HE1 HIS A 121 12.236 -2.953 9.795 1.00 24.34 H new ATOM 0 HE2 HIS A 121 10.571 -3.753 11.546 1.00 33.33 H new