USER MOD reduce.3.24.130724 H: found=0, std=0, add=1075, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 1073 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 74 SER OG : rot -110:sc= 0.664 USER MOD Set 1.2: A 107 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 47 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 50 ASN : amide:sc= -0.248 X(o=-0.25,f=0.13) USER MOD Set 3.1: A 42 THR OG1 : rot 180:sc= 0 USER MOD Set 3.2: A 132 THR OG1 : rot 47:sc= 0.053 USER MOD Set 4.1: A 14 GLN : amide:sc= 0.498 K(o=0.84,f=-2.6) USER MOD Set 4.2: A 41 ASN :FLIP amide:sc= 0.345 F(o=-2.6!,f=0.84) USER MOD Set 5.1: A 27 MET CE :methyl -114:sc= -0.2 (180deg=-1.03) USER MOD Set 5.2: A 31 ASN : amide:sc= -5.54! C(o=-5.7!,f=-6.6!) USER MOD Set 5.3: A 98 TYR OH : rot 30:sc= 0 USER MOD Single : A 1 ARG N :NH3+ 163:sc= -5.35! (180deg=-6.12!) USER MOD Single : A 4 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 6 THR OG1 : rot -114:sc= 0.222 USER MOD Single : A 9 GLN :FLIP amide:sc= -2.23 F(o=-6.8!,f=-2.2) USER MOD Single : A 15 HIS :FLIP no HE2:sc= 0.0269 F(o=-2.6,f=0.027) USER MOD Single : A 17 SER OG : rot -43:sc= -0.638! USER MOD Single : A 19 ASN :FLIP amide:sc= -0.721 F(o=-2.3,f=-0.72) USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 ASN : amide:sc= -0.113 K(o=-0.11,f=-1!) USER MOD Single : A 33 TYR OH : rot 180:sc= -0.0889 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 ASN : amide:sc= -0.0538 X(o=-0.054,f=-0.092) USER MOD Single : A 40 GLN : amide:sc= -0.0642 X(o=-0.064,f=-0.064) USER MOD Single : A 46 THR OG1 : rot 180:sc= -0.288 USER MOD Single : A 53 ASN :FLIP amide:sc= -0.475 F(o=-1.6!,f=-0.48) USER MOD Single : A 57 ASN : amide:sc= -0.479 X(o=-0.48,f=-0.24) USER MOD Single : A 58 GLN :FLIP amide:sc= -0.454 F(o=-1.1,f=-0.45) USER MOD Single : A 59 SER OG : rot 180:sc= 0.00151 USER MOD Single : A 64 HIS :FLIP no HD1:sc= -6.59! C(o=-7.6!,f=-6.6!) USER MOD Single : A 65 ASN : amide:sc= -0.541 X(o=-0.54,f=-0.54) USER MOD Single : A 67 THR OG1 : rot -15:sc= 0.289 USER MOD Single : A 69 ASN : amide:sc= -1.32 X(o=-1.3,f=-1) USER MOD Single : A 70 ASN : amide:sc= -2.69! C(o=-2.7!,f=-4.1!) USER MOD Single : A 72 HIS :FLIP no HD1:sc= -7.77! C(o=-8.3!,f=-7.8!) USER MOD Single : A 82 HIS : no HD1:sc= -0.85 K(o=-0.85,f=-3.3) USER MOD Single : A 87 ASN :FLIP amide:sc= -12.8! C(o=-14!,f=-13!) USER MOD Single : A 91 GLN : amide:sc= -0.0615 K(o=-0.061,f=-1.4!) USER MOD Single : A 92 ASN : amide:sc= -3.35 K(o=-3.4,f=-6.1!) USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD Single : A 95 ASN : amide:sc= -0.542 X(o=-0.54,f=-0.11) USER MOD Single : A 113 ASN : amide:sc= -1.32 K(o=-1.3,f=-3.5!) USER MOD Single : A 119 SER OG : rot 120:sc= -1.08 USER MOD Single : A 122 TYR OH : rot 165:sc= -0.0875 USER MOD Single : A 128 HIS :FLIP no HD1:sc= -1.67! C(o=-3.1!,f=-1.7!) USER MOD Single : A 131 THR OG1 : rot 180:sc= -0.128 USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 1 6.660 -10.461 -1.416 1.00 75.12 N ATOM 2 CA ARG A 1 7.499 -10.145 -2.566 1.00 12.14 C ATOM 3 C ARG A 1 7.971 -11.419 -3.261 1.00 11.23 C ATOM 4 O ARG A 1 9.091 -11.887 -3.058 1.00 31.23 O ATOM 5 CB ARG A 1 8.706 -9.313 -2.128 1.00 34.33 C ATOM 6 CG ARG A 1 9.409 -9.860 -0.897 1.00 21.00 C ATOM 7 CD ARG A 1 8.798 -9.311 0.383 1.00 41.11 C ATOM 8 NE ARG A 1 9.762 -9.277 1.479 1.00 23.54 N ATOM 9 CZ ARG A 1 10.020 -10.318 2.263 1.00 65.31 C ATOM 10 NH1 ARG A 1 9.390 -11.470 2.072 1.00 51.53 N ATOM 11 NH2 ARG A 1 10.912 -10.211 3.240 1.00 71.33 N ATOM 0 H1 ARG A 1 6.588 -9.627 -0.799 1.00 75.12 H new ATOM 0 H2 ARG A 1 5.711 -10.733 -1.743 1.00 75.12 H new ATOM 0 H3 ARG A 1 7.082 -11.249 -0.884 1.00 75.12 H new ATOM 0 HA ARG A 1 6.903 -9.566 -3.272 1.00 12.14 H new ATOM 0 HB2 ARG A 1 9.419 -9.262 -2.951 1.00 34.33 H new ATOM 0 HB3 ARG A 1 8.379 -8.293 -1.926 1.00 34.33 H new ATOM 0 HG2 ARG A 1 9.346 -10.948 -0.894 1.00 21.00 H new ATOM 0 HG3 ARG A 1 10.467 -9.602 -0.936 1.00 21.00 H new ATOM 0 HD2 ARG A 1 8.420 -8.305 0.202 1.00 41.11 H new ATOM 0 HD3 ARG A 1 7.945 -9.925 0.670 1.00 41.11 H new ATOM 0 HE ARG A 1 10.265 -8.407 1.652 1.00 23.54 H new ATOM 0 HH11 ARG A 1 8.705 -11.558 1.321 1.00 51.53 H new ATOM 0 HH12 ARG A 1 9.591 -12.267 2.676 1.00 51.53 H new ATOM 0 HH21 ARG A 1 11.401 -9.328 3.390 1.00 71.33 H new ATOM 0 HH22 ARG A 1 11.109 -11.011 3.841 1.00 71.33 H new ATOM 25 N PRO A 2 7.098 -11.993 -4.101 1.00 55.21 N ATOM 26 CA PRO A 2 7.402 -13.220 -4.843 1.00 53.34 C ATOM 27 C PRO A 2 8.448 -12.995 -5.929 1.00 44.24 C ATOM 28 O PRO A 2 8.814 -11.864 -6.248 1.00 52.33 O ATOM 29 CB PRO A 2 6.057 -13.601 -5.467 1.00 51.32 C ATOM 30 CG PRO A 2 5.310 -12.316 -5.570 1.00 13.11 C ATOM 31 CD PRO A 2 5.745 -11.489 -4.391 1.00 54.33 C ATOM 0 HA PRO A 2 7.822 -13.992 -4.199 1.00 53.34 H new ATOM 0 HB2 PRO A 2 6.191 -14.061 -6.446 1.00 51.32 H new ATOM 0 HB3 PRO A 2 5.523 -14.321 -4.847 1.00 51.32 H new ATOM 0 HG2 PRO A 2 5.535 -11.808 -6.508 1.00 13.11 H new ATOM 0 HG3 PRO A 2 4.234 -12.487 -5.551 1.00 13.11 H new ATOM 0 HD2 PRO A 2 5.755 -10.425 -4.628 1.00 54.33 H new ATOM 0 HD3 PRO A 2 5.077 -11.620 -3.540 1.00 54.33 H new ATOM 39 N PRO A 3 8.944 -14.097 -6.513 1.00 72.10 N ATOM 40 CA PRO A 3 9.954 -14.045 -7.573 1.00 21.31 C ATOM 41 C PRO A 3 9.398 -13.486 -8.878 1.00 42.42 C ATOM 42 O PRO A 3 10.131 -13.309 -9.850 1.00 43.04 O ATOM 43 CB PRO A 3 10.359 -15.512 -7.749 1.00 72.03 C ATOM 44 CG PRO A 3 9.175 -16.289 -7.285 1.00 41.42 C ATOM 45 CD PRO A 3 8.554 -15.478 -6.182 1.00 54.21 C ATOM 0 HA PRO A 3 10.783 -13.387 -7.313 1.00 21.31 H new ATOM 0 HB2 PRO A 3 10.596 -15.735 -8.789 1.00 72.03 H new ATOM 0 HB3 PRO A 3 11.245 -15.752 -7.161 1.00 72.03 H new ATOM 0 HG2 PRO A 3 8.468 -16.446 -8.099 1.00 41.42 H new ATOM 0 HG3 PRO A 3 9.471 -17.274 -6.926 1.00 41.42 H new ATOM 0 HD2 PRO A 3 7.471 -15.595 -6.158 1.00 54.21 H new ATOM 0 HD3 PRO A 3 8.928 -15.778 -5.203 1.00 54.21 H new ATOM 53 N GLN A 4 8.099 -13.209 -8.891 1.00 74.12 N ATOM 54 CA GLN A 4 7.445 -12.669 -10.078 1.00 21.43 C ATOM 55 C GLN A 4 7.135 -11.186 -9.902 1.00 23.34 C ATOM 56 O GLN A 4 6.625 -10.536 -10.814 1.00 34.24 O ATOM 57 CB GLN A 4 6.156 -13.440 -10.370 1.00 73.15 C ATOM 58 CG GLN A 4 6.368 -14.935 -10.552 1.00 12.03 C ATOM 59 CD GLN A 4 5.073 -15.720 -10.487 1.00 4.33 C ATOM 60 OE1 GLN A 4 4.463 -16.018 -11.514 1.00 73.03 O ATOM 61 NE2 GLN A 4 4.647 -16.061 -9.276 1.00 54.32 N ATOM 0 H GLN A 4 7.478 -13.349 -8.094 1.00 74.12 H new ATOM 0 HA GLN A 4 8.127 -12.781 -10.921 1.00 21.43 H new ATOM 0 HB2 GLN A 4 5.453 -13.278 -9.553 1.00 73.15 H new ATOM 0 HB3 GLN A 4 5.696 -13.034 -11.271 1.00 73.15 H new ATOM 0 HG2 GLN A 4 6.850 -15.115 -11.513 1.00 12.03 H new ATOM 0 HG3 GLN A 4 7.048 -15.298 -9.781 1.00 12.03 H new ATOM 0 HE21 GLN A 4 5.185 -15.793 -8.452 1.00 54.32 H new ATOM 0 HE22 GLN A 4 3.782 -16.591 -9.170 1.00 54.32 H new ATOM 70 N PHE A 5 7.448 -10.657 -8.724 1.00 30.11 N ATOM 71 CA PHE A 5 7.203 -9.251 -8.428 1.00 53.13 C ATOM 72 C PHE A 5 8.329 -8.668 -7.580 1.00 20.32 C ATOM 73 O PHE A 5 9.031 -9.395 -6.874 1.00 33.24 O ATOM 74 CB PHE A 5 5.865 -9.086 -7.703 1.00 1.34 C ATOM 75 CG PHE A 5 4.685 -9.542 -8.511 1.00 40.13 C ATOM 76 CD1 PHE A 5 4.618 -9.281 -9.871 1.00 34.43 C ATOM 77 CD2 PHE A 5 3.643 -10.232 -7.912 1.00 71.24 C ATOM 78 CE1 PHE A 5 3.531 -9.700 -10.617 1.00 60.01 C ATOM 79 CE2 PHE A 5 2.554 -10.652 -8.654 1.00 22.41 C ATOM 80 CZ PHE A 5 2.499 -10.386 -10.008 1.00 65.21 C ATOM 0 H PHE A 5 7.872 -11.181 -7.959 1.00 30.11 H new ATOM 0 HA PHE A 5 7.166 -8.708 -9.373 1.00 53.13 H new ATOM 0 HB2 PHE A 5 5.895 -9.648 -6.770 1.00 1.34 H new ATOM 0 HB3 PHE A 5 5.731 -8.037 -7.439 1.00 1.34 H new ATOM 0 HD1 PHE A 5 5.422 -8.745 -10.353 1.00 34.43 H new ATOM 0 HD2 PHE A 5 3.682 -10.444 -6.854 1.00 71.24 H new ATOM 0 HE1 PHE A 5 3.490 -9.491 -11.676 1.00 60.01 H new ATOM 0 HE2 PHE A 5 1.748 -11.187 -8.175 1.00 22.41 H new ATOM 0 HZ PHE A 5 1.650 -10.714 -10.590 1.00 65.21 H new ATOM 90 N THR A 6 8.498 -7.352 -7.653 1.00 44.13 N ATOM 91 CA THR A 6 9.539 -6.672 -6.895 1.00 42.43 C ATOM 92 C THR A 6 9.000 -6.144 -5.571 1.00 14.15 C ATOM 93 O THR A 6 7.849 -6.399 -5.212 1.00 64.35 O ATOM 94 CB THR A 6 10.142 -5.499 -7.693 1.00 34.43 C ATOM 95 OG1 THR A 6 9.157 -4.952 -8.578 1.00 13.15 O ATOM 96 CG2 THR A 6 11.352 -5.956 -8.495 1.00 1.42 C ATOM 0 H THR A 6 7.926 -6.736 -8.230 1.00 44.13 H new ATOM 0 HA THR A 6 10.318 -7.409 -6.700 1.00 42.43 H new ATOM 0 HB THR A 6 10.462 -4.733 -6.986 1.00 34.43 H new ATOM 0 HG1 THR A 6 9.425 -5.114 -9.506 1.00 13.15 H new ATOM 0 HG21 THR A 6 11.761 -5.112 -9.050 1.00 1.42 H new ATOM 0 HG22 THR A 6 12.111 -6.347 -7.817 1.00 1.42 H new ATOM 0 HG23 THR A 6 11.052 -6.738 -9.193 1.00 1.42 H new ATOM 104 N ARG A 7 9.836 -5.407 -4.846 1.00 70.42 N ATOM 105 CA ARG A 7 9.442 -4.845 -3.561 1.00 22.33 C ATOM 106 C ARG A 7 8.521 -3.644 -3.752 1.00 64.10 C ATOM 107 O ARG A 7 7.667 -3.364 -2.911 1.00 33.22 O ATOM 108 CB ARG A 7 10.678 -4.430 -2.761 1.00 63.13 C ATOM 109 CG ARG A 7 11.507 -5.606 -2.268 1.00 50.21 C ATOM 110 CD ARG A 7 12.899 -5.166 -1.842 1.00 4.24 C ATOM 111 NE ARG A 7 13.442 -6.017 -0.786 1.00 64.11 N ATOM 112 CZ ARG A 7 14.430 -5.646 0.021 1.00 24.43 C ATOM 113 NH1 ARG A 7 14.980 -4.447 -0.106 1.00 11.11 N ATOM 114 NH2 ARG A 7 14.871 -6.477 0.958 1.00 72.52 N ATOM 0 H ARG A 7 10.791 -5.186 -5.128 1.00 70.42 H new ATOM 0 HA ARG A 7 8.900 -5.613 -3.008 1.00 22.33 H new ATOM 0 HB2 ARG A 7 11.304 -3.790 -3.382 1.00 63.13 H new ATOM 0 HB3 ARG A 7 10.363 -3.834 -1.905 1.00 63.13 H new ATOM 0 HG2 ARG A 7 11.002 -6.082 -1.428 1.00 50.21 H new ATOM 0 HG3 ARG A 7 11.586 -6.353 -3.057 1.00 50.21 H new ATOM 0 HD2 ARG A 7 13.566 -5.188 -2.704 1.00 4.24 H new ATOM 0 HD3 ARG A 7 12.862 -4.134 -1.493 1.00 4.24 H new ATOM 0 HE ARG A 7 13.041 -6.946 -0.662 1.00 64.11 H new ATOM 0 HH11 ARG A 7 14.645 -3.806 -0.825 1.00 11.11 H new ATOM 0 HH12 ARG A 7 15.738 -4.165 0.515 1.00 11.11 H new ATOM 0 HH21 ARG A 7 14.451 -7.401 1.059 1.00 72.52 H new ATOM 0 HH22 ARG A 7 15.630 -6.191 1.577 1.00 72.52 H new ATOM 128 N ALA A 8 8.701 -2.937 -4.863 1.00 64.11 N ATOM 129 CA ALA A 8 7.886 -1.768 -5.165 1.00 74.02 C ATOM 130 C ALA A 8 6.622 -2.160 -5.924 1.00 70.30 C ATOM 131 O ALA A 8 5.512 -2.032 -5.408 1.00 41.32 O ATOM 132 CB ALA A 8 8.691 -0.755 -5.966 1.00 64.40 C ATOM 0 H ALA A 8 9.405 -3.154 -5.569 1.00 64.11 H new ATOM 0 HA ALA A 8 7.586 -1.313 -4.221 1.00 74.02 H new ATOM 0 HB1 ALA A 8 8.069 0.113 -6.184 1.00 64.40 H new ATOM 0 HB2 ALA A 8 9.561 -0.442 -5.388 1.00 64.40 H new ATOM 0 HB3 ALA A 8 9.021 -1.209 -6.900 1.00 64.40 H new ATOM 138 N GLN A 9 6.799 -2.638 -7.152 1.00 45.03 N ATOM 139 CA GLN A 9 5.672 -3.049 -7.981 1.00 10.31 C ATOM 140 C GLN A 9 4.701 -3.917 -7.189 1.00 20.43 C ATOM 141 O GLN A 9 3.503 -3.940 -7.470 1.00 75.02 O ATOM 142 CB GLN A 9 6.168 -3.809 -9.213 1.00 3.40 C ATOM 143 CG GLN A 9 6.250 -5.313 -9.007 1.00 11.14 C ATOM 144 CD GLN A 9 4.975 -6.028 -9.407 1.00 53.30 C ATOM 145 OE1 GLN A 9 4.276 -6.586 -8.425 1.00 43.21 O flip ATOM 146 NE2 GLN A 9 4.620 -6.077 -10.585 1.00 64.34 N flip ATOM 0 H GLN A 9 7.711 -2.750 -7.594 1.00 45.03 H new ATOM 0 HA GLN A 9 5.145 -2.151 -8.305 1.00 10.31 H new ATOM 0 HB2 GLN A 9 5.502 -3.601 -10.051 1.00 3.40 H new ATOM 0 HB3 GLN A 9 7.154 -3.434 -9.489 1.00 3.40 H new ATOM 0 HG2 GLN A 9 7.082 -5.710 -9.588 1.00 11.14 H new ATOM 0 HG3 GLN A 9 6.465 -5.521 -7.959 1.00 11.14 H new ATOM 0 HE21 GLN A 9 5.188 -5.634 -11.308 1.00 64.34 H new ATOM 0 HE22 GLN A 9 3.758 -6.560 -10.838 1.00 64.34 H new ATOM 155 N TRP A 10 5.226 -4.631 -6.200 1.00 53.41 N ATOM 156 CA TRP A 10 4.404 -5.502 -5.367 1.00 61.02 C ATOM 157 C TRP A 10 3.728 -4.712 -4.253 1.00 1.44 C ATOM 158 O TRP A 10 2.653 -5.081 -3.780 1.00 4.34 O ATOM 159 CB TRP A 10 5.257 -6.623 -4.770 1.00 12.41 C ATOM 160 CG TRP A 10 4.452 -7.663 -4.050 1.00 40.44 C ATOM 161 CD1 TRP A 10 4.589 -8.049 -2.748 1.00 14.43 C ATOM 162 CD2 TRP A 10 3.388 -8.451 -4.595 1.00 13.45 C ATOM 163 NE1 TRP A 10 3.673 -9.029 -2.449 1.00 41.12 N ATOM 164 CE2 TRP A 10 2.924 -9.292 -3.565 1.00 21.23 C ATOM 165 CE3 TRP A 10 2.779 -8.525 -5.850 1.00 62.11 C ATOM 166 CZ2 TRP A 10 1.882 -10.197 -3.755 1.00 31.01 C ATOM 167 CZ3 TRP A 10 1.746 -9.423 -6.038 1.00 3.22 C ATOM 168 CH2 TRP A 10 1.305 -10.248 -4.995 1.00 30.43 C ATOM 0 H TRP A 10 6.216 -4.624 -5.955 1.00 53.41 H new ATOM 0 HA TRP A 10 3.629 -5.940 -5.996 1.00 61.02 H new ATOM 0 HB2 TRP A 10 5.825 -7.102 -5.568 1.00 12.41 H new ATOM 0 HB3 TRP A 10 5.980 -6.191 -4.079 1.00 12.41 H new ATOM 0 HD1 TRP A 10 5.311 -7.644 -2.055 1.00 14.43 H new ATOM 0 HE1 TRP A 10 3.568 -9.486 -1.543 1.00 41.12 H new ATOM 0 HE3 TRP A 10 3.110 -7.891 -6.659 1.00 62.11 H new ATOM 0 HZ2 TRP A 10 1.542 -10.835 -2.953 1.00 31.01 H new ATOM 0 HZ3 TRP A 10 1.270 -9.490 -7.005 1.00 3.22 H new ATOM 0 HH2 TRP A 10 0.493 -10.938 -5.173 1.00 30.43 H new ATOM 179 N PHE A 11 4.364 -3.622 -3.838 1.00 12.54 N ATOM 180 CA PHE A 11 3.824 -2.778 -2.777 1.00 33.00 C ATOM 181 C PHE A 11 2.457 -2.223 -3.167 1.00 11.13 C ATOM 182 O PHE A 11 1.496 -2.316 -2.403 1.00 2.15 O ATOM 183 CB PHE A 11 4.785 -1.628 -2.470 1.00 63.34 C ATOM 184 CG PHE A 11 4.101 -0.401 -1.940 1.00 2.43 C ATOM 185 CD1 PHE A 11 3.534 0.521 -2.805 1.00 73.14 C ATOM 186 CD2 PHE A 11 4.025 -0.168 -0.576 1.00 24.33 C ATOM 187 CE1 PHE A 11 2.905 1.652 -2.319 1.00 40.14 C ATOM 188 CE2 PHE A 11 3.397 0.961 -0.085 1.00 23.23 C ATOM 189 CZ PHE A 11 2.836 1.871 -0.957 1.00 32.12 C ATOM 0 H PHE A 11 5.254 -3.302 -4.220 1.00 12.54 H new ATOM 0 HA PHE A 11 3.707 -3.392 -1.884 1.00 33.00 H new ATOM 0 HB2 PHE A 11 5.523 -1.966 -1.742 1.00 63.34 H new ATOM 0 HB3 PHE A 11 5.329 -1.367 -3.378 1.00 63.34 H new ATOM 0 HD1 PHE A 11 3.584 0.354 -3.871 1.00 73.14 H new ATOM 0 HD2 PHE A 11 4.462 -0.877 0.112 1.00 24.33 H new ATOM 0 HE1 PHE A 11 2.468 2.364 -3.004 1.00 40.14 H new ATOM 0 HE2 PHE A 11 3.345 1.131 0.980 1.00 23.23 H new ATOM 0 HZ PHE A 11 2.344 2.753 -0.575 1.00 32.12 H new ATOM 199 N ALA A 12 2.378 -1.646 -4.361 1.00 72.23 N ATOM 200 CA ALA A 12 1.130 -1.077 -4.854 1.00 11.34 C ATOM 201 C ALA A 12 0.091 -2.165 -5.102 1.00 11.02 C ATOM 202 O ALA A 12 -1.112 -1.918 -5.018 1.00 33.40 O ATOM 203 CB ALA A 12 1.378 -0.283 -6.127 1.00 51.42 C ATOM 0 H ALA A 12 3.164 -1.560 -5.005 1.00 72.23 H new ATOM 0 HA ALA A 12 0.740 -0.405 -4.090 1.00 11.34 H new ATOM 0 HB1 ALA A 12 0.437 0.136 -6.484 1.00 51.42 H new ATOM 0 HB2 ALA A 12 2.080 0.525 -5.921 1.00 51.42 H new ATOM 0 HB3 ALA A 12 1.795 -0.940 -6.890 1.00 51.42 H new ATOM 209 N ILE A 13 0.563 -3.369 -5.408 1.00 1.03 N ATOM 210 CA ILE A 13 -0.326 -4.494 -5.667 1.00 20.41 C ATOM 211 C ILE A 13 -1.287 -4.715 -4.503 1.00 72.53 C ATOM 212 O ILE A 13 -2.458 -5.035 -4.706 1.00 74.02 O ATOM 213 CB ILE A 13 0.466 -5.792 -5.917 1.00 42.10 C ATOM 214 CG1 ILE A 13 0.725 -5.976 -7.413 1.00 44.31 C ATOM 215 CG2 ILE A 13 -0.285 -6.988 -5.352 1.00 22.23 C ATOM 216 CD1 ILE A 13 -0.319 -6.821 -8.109 1.00 15.25 C ATOM 0 H ILE A 13 1.556 -3.590 -5.483 1.00 1.03 H new ATOM 0 HA ILE A 13 -0.895 -4.246 -6.563 1.00 20.41 H new ATOM 0 HB ILE A 13 1.427 -5.718 -5.408 1.00 42.10 H new ATOM 0 HG12 ILE A 13 0.764 -4.996 -7.890 1.00 44.31 H new ATOM 0 HG13 ILE A 13 1.703 -6.437 -7.550 1.00 44.31 H new ATOM 0 HG21 ILE A 13 0.287 -7.897 -5.537 1.00 22.23 H new ATOM 0 HG22 ILE A 13 -0.423 -6.857 -4.279 1.00 22.23 H new ATOM 0 HG23 ILE A 13 -1.259 -7.068 -5.835 1.00 22.23 H new ATOM 0 HD11 ILE A 13 -0.070 -6.908 -9.167 1.00 15.25 H new ATOM 0 HD12 ILE A 13 -0.343 -7.813 -7.659 1.00 15.25 H new ATOM 0 HD13 ILE A 13 -1.297 -6.351 -8.004 1.00 15.25 H new ATOM 228 N GLN A 14 -0.783 -4.542 -3.286 1.00 14.02 N ATOM 229 CA GLN A 14 -1.599 -4.721 -2.090 1.00 71.13 C ATOM 230 C GLN A 14 -1.977 -3.375 -1.483 1.00 55.30 C ATOM 231 O GLN A 14 -3.049 -3.226 -0.893 1.00 62.30 O ATOM 232 CB GLN A 14 -0.851 -5.567 -1.060 1.00 3.44 C ATOM 233 CG GLN A 14 0.114 -4.765 -0.199 1.00 62.23 C ATOM 234 CD GLN A 14 0.813 -5.617 0.841 1.00 3.34 C ATOM 235 OE1 GLN A 14 0.727 -5.349 2.040 1.00 31.54 O ATOM 236 NE2 GLN A 14 1.513 -6.651 0.388 1.00 11.51 N ATOM 0 H GLN A 14 0.185 -4.278 -3.101 1.00 14.02 H new ATOM 0 HA GLN A 14 -2.514 -5.238 -2.378 1.00 71.13 H new ATOM 0 HB2 GLN A 14 -1.576 -6.063 -0.414 1.00 3.44 H new ATOM 0 HB3 GLN A 14 -0.298 -6.350 -1.578 1.00 3.44 H new ATOM 0 HG2 GLN A 14 0.860 -4.294 -0.839 1.00 62.23 H new ATOM 0 HG3 GLN A 14 -0.430 -3.963 0.300 1.00 62.23 H new ATOM 0 HE21 GLN A 14 1.558 -6.837 -0.614 1.00 11.51 H new ATOM 0 HE22 GLN A 14 2.006 -7.259 1.042 1.00 11.51 H new ATOM 245 N HIS A 15 -1.092 -2.394 -1.630 1.00 13.31 N ATOM 246 CA HIS A 15 -1.333 -1.058 -1.096 1.00 32.21 C ATOM 247 C HIS A 15 -2.033 -0.179 -2.128 1.00 14.22 C ATOM 248 O HIS A 15 -2.404 0.959 -1.838 1.00 12.24 O ATOM 249 CB HIS A 15 -0.016 -0.412 -0.666 1.00 62.11 C ATOM 250 CG HIS A 15 0.508 -0.930 0.638 1.00 15.00 C ATOM 251 ND1 HIS A 15 1.681 -1.532 0.945 1.00 4.53 N flip ATOM 252 CD2 HIS A 15 -0.204 -0.858 1.816 1.00 61.24 C flip ATOM 253 CE1 HIS A 15 1.658 -1.808 2.289 1.00 22.21 C flip ATOM 254 NE2 HIS A 15 0.510 -1.391 2.792 1.00 31.24 N flip ATOM 0 H HIS A 15 -0.201 -2.499 -2.115 1.00 13.31 H new ATOM 0 HA HIS A 15 -1.982 -1.153 -0.226 1.00 32.21 H new ATOM 0 HB2 HIS A 15 0.732 -0.580 -1.441 1.00 62.11 H new ATOM 0 HB3 HIS A 15 -0.158 0.666 -0.589 1.00 62.11 H new ATOM 0 HD1 HIS A 15 2.441 -1.742 0.298 1.00 4.53 H new ATOM 0 HD2 HIS A 15 -1.191 -0.433 1.924 1.00 61.24 H new ATOM 0 HE1 HIS A 15 2.450 -2.288 2.845 1.00 22.21 H new ATOM 263 N ILE A 16 -2.209 -0.713 -3.332 1.00 11.23 N ATOM 264 CA ILE A 16 -2.863 0.024 -4.405 1.00 71.14 C ATOM 265 C ILE A 16 -3.781 -0.885 -5.216 1.00 34.41 C ATOM 266 O ILE A 16 -3.410 -2.005 -5.567 1.00 2.44 O ATOM 267 CB ILE A 16 -1.836 0.672 -5.351 1.00 11.21 C ATOM 268 CG1 ILE A 16 -1.615 2.139 -4.973 1.00 33.23 C ATOM 269 CG2 ILE A 16 -2.298 0.557 -6.796 1.00 34.32 C ATOM 270 CD1 ILE A 16 -0.643 2.858 -5.882 1.00 32.04 C ATOM 0 H ILE A 16 -1.908 -1.653 -3.588 1.00 11.23 H new ATOM 0 HA ILE A 16 -3.455 0.808 -3.933 1.00 71.14 H new ATOM 0 HB ILE A 16 -0.889 0.143 -5.250 1.00 11.21 H new ATOM 0 HG12 ILE A 16 -2.573 2.659 -4.994 1.00 33.23 H new ATOM 0 HG13 ILE A 16 -1.247 2.190 -3.948 1.00 33.23 H new ATOM 0 HG21 ILE A 16 -1.561 1.020 -7.452 1.00 34.32 H new ATOM 0 HG22 ILE A 16 -2.409 -0.495 -7.060 1.00 34.32 H new ATOM 0 HG23 ILE A 16 -3.256 1.063 -6.913 1.00 34.32 H new ATOM 0 HD11 ILE A 16 -0.535 3.892 -5.555 1.00 32.04 H new ATOM 0 HD12 ILE A 16 0.327 2.362 -5.843 1.00 32.04 H new ATOM 0 HD13 ILE A 16 -1.019 2.839 -6.905 1.00 32.04 H new ATOM 282 N SER A 17 -4.981 -0.395 -5.512 1.00 10.44 N ATOM 283 CA SER A 17 -5.953 -1.163 -6.280 1.00 1.45 C ATOM 284 C SER A 17 -7.053 -0.258 -6.824 1.00 52.12 C ATOM 285 O SER A 17 -7.890 0.244 -6.071 1.00 72.53 O ATOM 286 CB SER A 17 -6.565 -2.264 -5.411 1.00 11.13 C ATOM 287 OG SER A 17 -5.615 -2.780 -4.496 1.00 4.32 O ATOM 0 H SER A 17 -5.303 0.531 -5.231 1.00 10.44 H new ATOM 0 HA SER A 17 -5.434 -1.621 -7.122 1.00 1.45 H new ATOM 0 HB2 SER A 17 -7.421 -1.867 -4.866 1.00 11.13 H new ATOM 0 HB3 SER A 17 -6.937 -3.068 -6.046 1.00 11.13 H new ATOM 0 HG SER A 17 -4.755 -2.899 -4.950 1.00 4.32 H new ATOM 293 N LEU A 18 -7.046 -0.053 -8.136 1.00 73.42 N ATOM 294 CA LEU A 18 -8.043 0.792 -8.784 1.00 53.32 C ATOM 295 C LEU A 18 -9.425 0.148 -8.725 1.00 14.41 C ATOM 296 O LEU A 18 -10.385 0.758 -8.256 1.00 1.01 O ATOM 297 CB LEU A 18 -7.652 1.053 -10.240 1.00 45.00 C ATOM 298 CG LEU A 18 -6.153 1.067 -10.540 1.00 2.22 C ATOM 299 CD1 LEU A 18 -5.895 1.570 -11.951 1.00 75.01 C ATOM 300 CD2 LEU A 18 -5.414 1.924 -9.522 1.00 65.23 C ATOM 0 H LEU A 18 -6.361 -0.460 -8.772 1.00 73.42 H new ATOM 0 HA LEU A 18 -8.081 1.741 -8.249 1.00 53.32 H new ATOM 0 HB2 LEU A 18 -8.120 0.291 -10.863 1.00 45.00 H new ATOM 0 HB3 LEU A 18 -8.072 2.013 -10.541 1.00 45.00 H new ATOM 0 HG LEU A 18 -5.778 0.046 -10.467 1.00 2.22 H new ATOM 0 HD11 LEU A 18 -4.823 1.573 -12.146 1.00 75.01 H new ATOM 0 HD12 LEU A 18 -6.392 0.916 -12.667 1.00 75.01 H new ATOM 0 HD13 LEU A 18 -6.285 2.583 -12.053 1.00 75.01 H new ATOM 0 HD21 LEU A 18 -4.348 1.923 -9.751 1.00 65.23 H new ATOM 0 HD22 LEU A 18 -5.793 2.945 -9.563 1.00 65.23 H new ATOM 0 HD23 LEU A 18 -5.571 1.518 -8.523 1.00 65.23 H new ATOM 312 N ASN A 19 -9.517 -1.089 -9.201 1.00 43.12 N ATOM 313 CA ASN A 19 -10.780 -1.817 -9.200 1.00 51.34 C ATOM 314 C ASN A 19 -10.650 -3.132 -8.439 1.00 63.21 C ATOM 315 O ASN A 19 -10.838 -4.219 -8.988 1.00 55.34 O ATOM 316 CB ASN A 19 -11.237 -2.089 -10.635 1.00 43.21 C ATOM 317 CG ASN A 19 -10.073 -2.342 -11.575 1.00 32.44 C ATOM 318 OD1 ASN A 19 -9.400 -1.273 -11.985 1.00 44.31 O flip ATOM 319 ND2 ASN A 19 -9.783 -3.486 -11.926 1.00 72.31 N flip ATOM 0 H ASN A 19 -8.731 -1.608 -9.593 1.00 43.12 H new ATOM 0 HA ASN A 19 -11.525 -1.200 -8.699 1.00 51.34 H new ATOM 0 HB2 ASN A 19 -11.902 -2.953 -10.644 1.00 43.21 H new ATOM 0 HB3 ASN A 19 -11.814 -1.238 -10.997 1.00 43.21 H new ATOM 0 HD21 ASN A 19 -10.329 -4.278 -11.585 1.00 72.31 H new ATOM 0 HD22 ASN A 19 -8.997 -3.642 -12.557 1.00 72.31 H new ATOM 326 N PRO A 20 -10.319 -3.035 -7.142 1.00 72.41 N ATOM 327 CA PRO A 20 -10.158 -4.208 -6.277 1.00 0.43 C ATOM 328 C PRO A 20 -11.484 -4.903 -5.988 1.00 42.24 C ATOM 329 O PRO A 20 -12.446 -4.289 -5.526 1.00 23.15 O ATOM 330 CB PRO A 20 -9.570 -3.621 -4.991 1.00 12.53 C ATOM 331 CG PRO A 20 -10.025 -2.202 -4.981 1.00 43.54 C ATOM 332 CD PRO A 20 -10.080 -1.774 -6.422 1.00 4.00 C ATOM 0 HA PRO A 20 -9.533 -4.972 -6.739 1.00 0.43 H new ATOM 0 HB2 PRO A 20 -9.926 -4.157 -4.112 1.00 12.53 H new ATOM 0 HB3 PRO A 20 -8.482 -3.688 -4.986 1.00 12.53 H new ATOM 0 HG2 PRO A 20 -11.003 -2.109 -4.509 1.00 43.54 H new ATOM 0 HG3 PRO A 20 -9.337 -1.575 -4.414 1.00 43.54 H new ATOM 0 HD2 PRO A 20 -10.879 -1.053 -6.597 1.00 4.00 H new ATOM 0 HD3 PRO A 20 -9.150 -1.301 -6.737 1.00 4.00 H new ATOM 340 N PRO A 21 -11.539 -6.214 -6.266 1.00 43.41 N ATOM 341 CA PRO A 21 -12.742 -7.021 -6.043 1.00 15.45 C ATOM 342 C PRO A 21 -13.038 -7.222 -4.561 1.00 32.31 C ATOM 343 O PRO A 21 -12.578 -6.453 -3.716 1.00 73.41 O ATOM 344 CB PRO A 21 -12.401 -8.357 -6.707 1.00 54.10 C ATOM 345 CG PRO A 21 -10.913 -8.426 -6.677 1.00 33.54 C ATOM 346 CD PRO A 21 -10.430 -7.009 -6.818 1.00 63.13 C ATOM 0 HA PRO A 21 -13.634 -6.544 -6.448 1.00 15.45 H new ATOM 0 HB2 PRO A 21 -12.847 -9.192 -6.167 1.00 54.10 H new ATOM 0 HB3 PRO A 21 -12.779 -8.399 -7.729 1.00 54.10 H new ATOM 0 HG2 PRO A 21 -10.562 -8.867 -5.744 1.00 33.54 H new ATOM 0 HG3 PRO A 21 -10.535 -9.050 -7.487 1.00 33.54 H new ATOM 0 HD2 PRO A 21 -9.504 -6.843 -6.267 1.00 63.13 H new ATOM 0 HD3 PRO A 21 -10.232 -6.754 -7.859 1.00 63.13 H new ATOM 354 N ARG A 22 -13.808 -8.260 -4.251 1.00 64.01 N ATOM 355 CA ARG A 22 -14.165 -8.563 -2.871 1.00 12.14 C ATOM 356 C ARG A 22 -12.922 -8.879 -2.044 1.00 62.41 C ATOM 357 O ARG A 22 -12.310 -9.936 -2.205 1.00 31.25 O ATOM 358 CB ARG A 22 -15.139 -9.741 -2.820 1.00 34.21 C ATOM 359 CG ARG A 22 -16.555 -9.380 -3.238 1.00 42.33 C ATOM 360 CD ARG A 22 -17.298 -8.659 -2.125 1.00 35.53 C ATOM 361 NE ARG A 22 -17.908 -9.593 -1.182 1.00 13.43 N ATOM 362 CZ ARG A 22 -19.064 -10.210 -1.402 1.00 25.41 C ATOM 363 NH1 ARG A 22 -19.729 -9.996 -2.528 1.00 62.11 N ATOM 364 NH2 ARG A 22 -19.554 -11.046 -0.496 1.00 12.33 N ATOM 0 H ARG A 22 -14.197 -8.906 -4.938 1.00 64.01 H new ATOM 0 HA ARG A 22 -14.648 -7.683 -2.446 1.00 12.14 H new ATOM 0 HB2 ARG A 22 -14.769 -10.535 -3.468 1.00 34.21 H new ATOM 0 HB3 ARG A 22 -15.159 -10.141 -1.806 1.00 34.21 H new ATOM 0 HG2 ARG A 22 -16.523 -8.747 -4.125 1.00 42.33 H new ATOM 0 HG3 ARG A 22 -17.097 -10.285 -3.511 1.00 42.33 H new ATOM 0 HD2 ARG A 22 -16.608 -8.005 -1.592 1.00 35.53 H new ATOM 0 HD3 ARG A 22 -18.071 -8.023 -2.557 1.00 35.53 H new ATOM 0 HE ARG A 22 -17.420 -9.782 -0.307 1.00 13.43 H new ATOM 0 HH11 ARG A 22 -19.354 -9.356 -3.228 1.00 62.11 H new ATOM 0 HH12 ARG A 22 -20.616 -10.471 -2.694 1.00 62.11 H new ATOM 0 HH21 ARG A 22 -19.043 -11.216 0.370 1.00 12.33 H new ATOM 0 HH22 ARG A 22 -20.442 -11.519 -0.666 1.00 12.33 H new ATOM 378 N CYS A 23 -12.554 -7.957 -1.161 1.00 32.44 N ATOM 379 CA CYS A 23 -11.386 -8.137 -0.309 1.00 44.13 C ATOM 380 C CYS A 23 -11.142 -9.616 -0.024 1.00 60.41 C ATOM 381 O CYS A 23 -10.005 -10.090 -0.059 1.00 54.15 O ATOM 382 CB CYS A 23 -11.563 -7.376 1.006 1.00 70.33 C ATOM 383 SG CYS A 23 -10.007 -6.766 1.729 1.00 60.03 S ATOM 0 H CYS A 23 -13.049 -7.077 -1.017 1.00 32.44 H new ATOM 0 HA CYS A 23 -10.520 -7.739 -0.837 1.00 44.13 H new ATOM 0 HB2 CYS A 23 -12.228 -6.530 0.836 1.00 70.33 H new ATOM 0 HB3 CYS A 23 -12.055 -8.029 1.727 1.00 70.33 H new ATOM 388 N THR A 24 -12.218 -10.344 0.260 1.00 41.31 N ATOM 389 CA THR A 24 -12.123 -11.768 0.553 1.00 63.05 C ATOM 390 C THR A 24 -11.248 -12.483 -0.472 1.00 54.14 C ATOM 391 O THR A 24 -10.298 -13.178 -0.113 1.00 42.22 O ATOM 392 CB THR A 24 -13.512 -12.432 0.576 1.00 53.25 C ATOM 393 OG1 THR A 24 -14.182 -12.124 1.803 1.00 1.43 O ATOM 394 CG2 THR A 24 -13.395 -13.940 0.419 1.00 23.24 C ATOM 0 H THR A 24 -13.166 -9.970 0.293 1.00 41.31 H new ATOM 0 HA THR A 24 -11.670 -11.857 1.540 1.00 63.05 H new ATOM 0 HB THR A 24 -14.091 -12.041 -0.261 1.00 53.25 H new ATOM 0 HG1 THR A 24 -15.065 -12.549 1.809 1.00 1.43 H new ATOM 0 HG21 THR A 24 -14.389 -14.386 0.438 1.00 23.24 H new ATOM 0 HG22 THR A 24 -12.912 -14.171 -0.531 1.00 23.24 H new ATOM 0 HG23 THR A 24 -12.799 -14.346 1.237 1.00 23.24 H new ATOM 402 N ILE A 25 -11.576 -12.306 -1.747 1.00 60.25 N ATOM 403 CA ILE A 25 -10.819 -12.933 -2.824 1.00 50.32 C ATOM 404 C ILE A 25 -9.721 -12.006 -3.337 1.00 34.41 C ATOM 405 O ILE A 25 -8.602 -12.440 -3.603 1.00 23.33 O ATOM 406 CB ILE A 25 -11.732 -13.329 -3.999 1.00 51.44 C ATOM 407 CG1 ILE A 25 -13.099 -13.780 -3.482 1.00 53.04 C ATOM 408 CG2 ILE A 25 -11.083 -14.428 -4.828 1.00 55.55 C ATOM 409 CD1 ILE A 25 -14.160 -13.848 -4.558 1.00 54.30 C ATOM 0 H ILE A 25 -12.360 -11.734 -2.060 1.00 60.25 H new ATOM 0 HA ILE A 25 -10.366 -13.833 -2.408 1.00 50.32 H new ATOM 0 HB ILE A 25 -11.876 -12.457 -4.637 1.00 51.44 H new ATOM 0 HG12 ILE A 25 -12.998 -14.762 -3.020 1.00 53.04 H new ATOM 0 HG13 ILE A 25 -13.428 -13.094 -2.702 1.00 53.04 H new ATOM 0 HG21 ILE A 25 -11.741 -14.697 -5.655 1.00 55.55 H new ATOM 0 HG22 ILE A 25 -10.131 -14.072 -5.223 1.00 55.55 H new ATOM 0 HG23 ILE A 25 -10.912 -15.303 -4.201 1.00 55.55 H new ATOM 0 HD11 ILE A 25 -15.103 -14.175 -4.119 1.00 54.30 H new ATOM 0 HD12 ILE A 25 -14.290 -12.862 -5.004 1.00 54.30 H new ATOM 0 HD13 ILE A 25 -13.853 -14.556 -5.327 1.00 54.30 H new ATOM 421 N ALA A 26 -10.051 -10.725 -3.470 1.00 70.11 N ATOM 422 CA ALA A 26 -9.093 -9.736 -3.947 1.00 53.14 C ATOM 423 C ALA A 26 -7.714 -9.970 -3.341 1.00 22.33 C ATOM 424 O ALA A 26 -6.698 -9.876 -4.030 1.00 72.31 O ATOM 425 CB ALA A 26 -9.582 -8.331 -3.625 1.00 44.51 C ATOM 0 H ALA A 26 -10.974 -10.349 -3.254 1.00 70.11 H new ATOM 0 HA ALA A 26 -9.007 -9.841 -5.029 1.00 53.14 H new ATOM 0 HB1 ALA A 26 -8.857 -7.602 -3.987 1.00 44.51 H new ATOM 0 HB2 ALA A 26 -10.543 -8.160 -4.111 1.00 44.51 H new ATOM 0 HB3 ALA A 26 -9.697 -8.224 -2.546 1.00 44.51 H new ATOM 431 N MET A 27 -7.685 -10.277 -2.048 1.00 11.13 N ATOM 432 CA MET A 27 -6.429 -10.526 -1.350 1.00 11.44 C ATOM 433 C MET A 27 -5.975 -11.969 -1.544 1.00 53.01 C ATOM 434 O MET A 27 -5.302 -12.538 -0.686 1.00 63.41 O ATOM 435 CB MET A 27 -6.582 -10.223 0.143 1.00 71.44 C ATOM 436 CG MET A 27 -7.143 -8.840 0.428 1.00 43.14 C ATOM 437 SD MET A 27 -6.785 -8.278 2.104 1.00 55.24 S ATOM 438 CE MET A 27 -5.010 -8.057 2.016 1.00 75.32 C ATOM 0 H MET A 27 -8.516 -10.359 -1.463 1.00 11.13 H new ATOM 0 HA MET A 27 -5.671 -9.866 -1.772 1.00 11.44 H new ATOM 0 HB2 MET A 27 -7.236 -10.971 0.592 1.00 71.44 H new ATOM 0 HB3 MET A 27 -5.610 -10.318 0.626 1.00 71.44 H new ATOM 0 HG2 MET A 27 -6.727 -8.129 -0.286 1.00 43.14 H new ATOM 0 HG3 MET A 27 -8.222 -8.851 0.275 1.00 43.14 H new ATOM 0 HE1 MET A 27 -4.521 -8.779 2.669 1.00 75.32 H new ATOM 0 HE2 MET A 27 -4.675 -8.210 0.990 1.00 75.32 H new ATOM 0 HE3 MET A 27 -4.753 -7.047 2.335 1.00 75.32 H new ATOM 448 N ARG A 28 -6.350 -12.554 -2.677 1.00 62.24 N ATOM 449 CA ARG A 28 -5.982 -13.932 -2.983 1.00 75.10 C ATOM 450 C ARG A 28 -4.568 -14.004 -3.552 1.00 12.25 C ATOM 451 O ARG A 28 -3.700 -14.679 -2.999 1.00 33.11 O ATOM 452 CB ARG A 28 -6.974 -14.538 -3.978 1.00 33.34 C ATOM 453 CG ARG A 28 -7.066 -13.775 -5.288 1.00 64.23 C ATOM 454 CD ARG A 28 -8.374 -14.058 -6.008 1.00 73.35 C ATOM 455 NE ARG A 28 -8.238 -13.948 -7.459 1.00 3.32 N ATOM 456 CZ ARG A 28 -9.034 -14.569 -8.321 1.00 55.30 C ATOM 457 NH1 ARG A 28 -10.020 -15.338 -7.883 1.00 23.24 N ATOM 458 NH2 ARG A 28 -8.846 -14.418 -9.627 1.00 2.33 N ATOM 0 H ARG A 28 -6.908 -12.096 -3.398 1.00 62.24 H new ATOM 0 HA ARG A 28 -6.012 -14.504 -2.055 1.00 75.10 H new ATOM 0 HB2 ARG A 28 -6.683 -15.567 -4.187 1.00 33.34 H new ATOM 0 HB3 ARG A 28 -7.961 -14.573 -3.518 1.00 33.34 H new ATOM 0 HG2 ARG A 28 -6.980 -12.706 -5.094 1.00 64.23 H new ATOM 0 HG3 ARG A 28 -6.229 -14.050 -5.930 1.00 64.23 H new ATOM 0 HD2 ARG A 28 -8.719 -15.060 -5.752 1.00 73.35 H new ATOM 0 HD3 ARG A 28 -9.136 -13.360 -5.662 1.00 73.35 H new ATOM 0 HE ARG A 28 -7.490 -13.362 -7.830 1.00 3.32 H new ATOM 0 HH11 ARG A 28 -10.169 -15.454 -6.881 1.00 23.24 H new ATOM 0 HH12 ARG A 28 -10.630 -15.814 -8.548 1.00 23.24 H new ATOM 0 HH21 ARG A 28 -8.090 -13.825 -9.968 1.00 2.33 H new ATOM 0 HH22 ARG A 28 -9.458 -14.895 -10.289 1.00 2.33 H new ATOM 472 N ALA A 29 -4.345 -13.304 -4.659 1.00 53.11 N ATOM 473 CA ALA A 29 -3.036 -13.288 -5.301 1.00 1.41 C ATOM 474 C ALA A 29 -2.104 -12.290 -4.621 1.00 4.00 C ATOM 475 O ALA A 29 -0.894 -12.507 -4.551 1.00 11.33 O ATOM 476 CB ALA A 29 -3.178 -12.957 -6.779 1.00 73.30 C ATOM 0 H ALA A 29 -5.053 -12.741 -5.130 1.00 53.11 H new ATOM 0 HA ALA A 29 -2.597 -14.281 -5.202 1.00 1.41 H new ATOM 0 HB1 ALA A 29 -2.193 -12.948 -7.246 1.00 73.30 H new ATOM 0 HB2 ALA A 29 -3.802 -13.709 -7.262 1.00 73.30 H new ATOM 0 HB3 ALA A 29 -3.641 -11.976 -6.889 1.00 73.30 H new ATOM 482 N ILE A 30 -2.674 -11.199 -4.123 1.00 13.15 N ATOM 483 CA ILE A 30 -1.893 -10.169 -3.449 1.00 3.14 C ATOM 484 C ILE A 30 -1.270 -10.705 -2.164 1.00 43.31 C ATOM 485 O ILE A 30 -0.202 -10.258 -1.747 1.00 24.53 O ATOM 486 CB ILE A 30 -2.755 -8.938 -3.112 1.00 64.21 C ATOM 487 CG1 ILE A 30 -3.593 -8.528 -4.326 1.00 23.14 C ATOM 488 CG2 ILE A 30 -1.876 -7.784 -2.655 1.00 64.45 C ATOM 489 CD1 ILE A 30 -2.948 -8.875 -5.649 1.00 70.31 C ATOM 0 H ILE A 30 -3.674 -11.005 -4.173 1.00 13.15 H new ATOM 0 HA ILE A 30 -1.103 -9.871 -4.138 1.00 3.14 H new ATOM 0 HB ILE A 30 -3.431 -9.198 -2.297 1.00 64.21 H new ATOM 0 HG12 ILE A 30 -4.566 -9.015 -4.267 1.00 23.14 H new ATOM 0 HG13 ILE A 30 -3.771 -7.453 -4.288 1.00 23.14 H new ATOM 0 HG21 ILE A 30 -2.500 -6.922 -2.421 1.00 64.45 H new ATOM 0 HG22 ILE A 30 -1.319 -8.081 -1.766 1.00 64.45 H new ATOM 0 HG23 ILE A 30 -1.178 -7.521 -3.450 1.00 64.45 H new ATOM 0 HD11 ILE A 30 -3.597 -8.556 -6.465 1.00 70.31 H new ATOM 0 HD12 ILE A 30 -1.987 -8.367 -5.730 1.00 70.31 H new ATOM 0 HD13 ILE A 30 -2.795 -9.953 -5.708 1.00 70.31 H new ATOM 501 N ASN A 31 -1.944 -11.667 -1.542 1.00 52.44 N ATOM 502 CA ASN A 31 -1.456 -12.265 -0.305 1.00 25.41 C ATOM 503 C ASN A 31 -0.517 -13.432 -0.599 1.00 11.25 C ATOM 504 O ASN A 31 0.247 -13.858 0.266 1.00 24.21 O ATOM 505 CB ASN A 31 -2.629 -12.744 0.553 1.00 65.04 C ATOM 506 CG ASN A 31 -3.335 -11.601 1.256 1.00 33.22 C ATOM 507 OD1 ASN A 31 -2.818 -10.486 1.326 1.00 20.34 O ATOM 508 ND2 ASN A 31 -4.524 -11.875 1.782 1.00 70.23 N ATOM 0 H ASN A 31 -2.829 -12.049 -1.874 1.00 52.44 H new ATOM 0 HA ASN A 31 -0.901 -11.503 0.243 1.00 25.41 H new ATOM 0 HB2 ASN A 31 -3.342 -13.276 -0.076 1.00 65.04 H new ATOM 0 HB3 ASN A 31 -2.266 -13.455 1.295 1.00 65.04 H new ATOM 0 HD21 ASN A 31 -5.047 -11.146 2.268 1.00 70.23 H new ATOM 0 HD22 ASN A 31 -4.914 -12.814 1.700 1.00 70.23 H new ATOM 515 N ASN A 32 -0.580 -13.942 -1.824 1.00 52.55 N ATOM 516 CA ASN A 32 0.264 -15.058 -2.233 1.00 22.14 C ATOM 517 C ASN A 32 1.709 -14.837 -1.793 1.00 33.43 C ATOM 518 O ASN A 32 2.478 -15.788 -1.654 1.00 42.42 O ATOM 519 CB ASN A 32 0.204 -15.241 -3.750 1.00 64.40 C ATOM 520 CG ASN A 32 0.418 -16.684 -4.167 1.00 34.51 C ATOM 521 OD1 ASN A 32 -0.028 -17.611 -3.489 1.00 14.41 O ATOM 522 ND2 ASN A 32 1.102 -16.881 -5.288 1.00 21.24 N ATOM 0 H ASN A 32 -1.208 -13.600 -2.552 1.00 52.55 H new ATOM 0 HA ASN A 32 -0.111 -15.960 -1.750 1.00 22.14 H new ATOM 0 HB2 ASN A 32 -0.764 -14.899 -4.116 1.00 64.40 H new ATOM 0 HB3 ASN A 32 0.962 -14.614 -4.219 1.00 64.40 H new ATOM 0 HD21 ASN A 32 1.276 -17.830 -5.619 1.00 21.24 H new ATOM 0 HD22 ASN A 32 1.453 -16.083 -5.818 1.00 21.24 H new ATOM 529 N TYR A 33 2.068 -13.577 -1.575 1.00 24.55 N ATOM 530 CA TYR A 33 3.420 -13.231 -1.152 1.00 64.32 C ATOM 531 C TYR A 33 3.702 -13.754 0.253 1.00 40.41 C ATOM 532 O TYR A 33 4.756 -14.335 0.511 1.00 41.02 O ATOM 533 CB TYR A 33 3.617 -11.715 -1.194 1.00 10.33 C ATOM 534 CG TYR A 33 3.038 -10.996 0.004 1.00 3.24 C ATOM 535 CD1 TYR A 33 1.666 -10.952 0.216 1.00 74.25 C ATOM 536 CD2 TYR A 33 3.863 -10.360 0.924 1.00 63.01 C ATOM 537 CE1 TYR A 33 1.131 -10.295 1.308 1.00 43.14 C ATOM 538 CE2 TYR A 33 3.338 -9.703 2.020 1.00 71.55 C ATOM 539 CZ TYR A 33 1.971 -9.673 2.207 1.00 44.13 C ATOM 540 OH TYR A 33 1.445 -9.018 3.297 1.00 60.34 O ATOM 0 H TYR A 33 1.442 -12.779 -1.684 1.00 24.55 H new ATOM 0 HA TYR A 33 4.121 -13.701 -1.842 1.00 64.32 H new ATOM 0 HB2 TYR A 33 4.683 -11.497 -1.258 1.00 10.33 H new ATOM 0 HB3 TYR A 33 3.157 -11.322 -2.101 1.00 10.33 H new ATOM 0 HD1 TYR A 33 1.005 -11.440 -0.485 1.00 74.25 H new ATOM 0 HD2 TYR A 33 4.933 -10.380 0.780 1.00 63.01 H new ATOM 0 HE1 TYR A 33 0.062 -10.269 1.456 1.00 43.14 H new ATOM 0 HE2 TYR A 33 3.994 -9.216 2.726 1.00 71.55 H new ATOM 0 HH TYR A 33 2.172 -8.635 3.831 1.00 60.34 H new ATOM 550 N ARG A 34 2.752 -13.542 1.158 1.00 51.12 N ATOM 551 CA ARG A 34 2.898 -13.991 2.538 1.00 55.22 C ATOM 552 C ARG A 34 2.255 -15.360 2.735 1.00 50.22 C ATOM 553 O ARG A 34 1.734 -15.953 1.791 1.00 73.14 O ATOM 554 CB ARG A 34 2.268 -12.977 3.495 1.00 52.11 C ATOM 555 CG ARG A 34 0.803 -12.693 3.203 1.00 1.22 C ATOM 556 CD ARG A 34 -0.092 -13.819 3.698 1.00 32.13 C ATOM 557 NE ARG A 34 -0.264 -14.864 2.691 1.00 12.44 N ATOM 558 CZ ARG A 34 -0.974 -15.968 2.893 1.00 5.20 C ATOM 559 NH1 ARG A 34 -1.575 -16.170 4.057 1.00 30.42 N ATOM 560 NH2 ARG A 34 -1.085 -16.872 1.928 1.00 43.21 N ATOM 0 H ARG A 34 1.874 -13.063 0.961 1.00 51.12 H new ATOM 0 HA ARG A 34 3.963 -14.074 2.756 1.00 55.22 H new ATOM 0 HB2 ARG A 34 2.361 -13.347 4.516 1.00 52.11 H new ATOM 0 HB3 ARG A 34 2.828 -12.043 3.442 1.00 52.11 H new ATOM 0 HG2 ARG A 34 0.510 -11.758 3.680 1.00 1.22 H new ATOM 0 HG3 ARG A 34 0.664 -12.561 2.130 1.00 1.22 H new ATOM 0 HD2 ARG A 34 0.337 -14.253 4.601 1.00 32.13 H new ATOM 0 HD3 ARG A 34 -1.067 -13.414 3.971 1.00 32.13 H new ATOM 0 HE ARG A 34 0.186 -14.739 1.784 1.00 12.44 H new ATOM 0 HH11 ARG A 34 -1.493 -15.477 4.800 1.00 30.42 H new ATOM 0 HH12 ARG A 34 -2.120 -17.019 4.209 1.00 30.42 H new ATOM 0 HH21 ARG A 34 -0.625 -16.719 1.031 1.00 43.21 H new ATOM 0 HH22 ARG A 34 -1.630 -17.720 2.084 1.00 43.21 H new ATOM 574 N TRP A 35 2.297 -15.856 3.965 1.00 13.42 N ATOM 575 CA TRP A 35 1.719 -17.156 4.286 1.00 54.33 C ATOM 576 C TRP A 35 0.595 -17.015 5.307 1.00 1.23 C ATOM 577 O TRP A 35 -0.257 -17.895 5.432 1.00 62.43 O ATOM 578 CB TRP A 35 2.797 -18.098 4.823 1.00 44.14 C ATOM 579 CG TRP A 35 2.387 -19.539 4.808 1.00 24.25 C ATOM 580 CD1 TRP A 35 1.833 -20.244 5.840 1.00 63.35 C ATOM 581 CD2 TRP A 35 2.500 -20.452 3.711 1.00 20.14 C ATOM 582 NE1 TRP A 35 1.595 -21.540 5.450 1.00 65.44 N ATOM 583 CE2 TRP A 35 1.994 -21.693 4.148 1.00 45.24 C ATOM 584 CE3 TRP A 35 2.976 -20.342 2.402 1.00 11.54 C ATOM 585 CZ2 TRP A 35 1.954 -22.812 3.321 1.00 71.35 C ATOM 586 CZ3 TRP A 35 2.936 -21.454 1.583 1.00 54.11 C ATOM 587 CH2 TRP A 35 2.427 -22.675 2.044 1.00 23.31 C ATOM 0 H TRP A 35 2.725 -15.378 4.758 1.00 13.42 H new ATOM 0 HA TRP A 35 1.302 -17.576 3.371 1.00 54.33 H new ATOM 0 HB2 TRP A 35 3.703 -17.979 4.228 1.00 44.14 H new ATOM 0 HB3 TRP A 35 3.046 -17.809 5.844 1.00 44.14 H new ATOM 0 HD1 TRP A 35 1.614 -19.842 6.818 1.00 63.35 H new ATOM 0 HE1 TRP A 35 1.187 -22.270 6.035 1.00 65.44 H new ATOM 0 HE3 TRP A 35 3.368 -19.404 2.037 1.00 11.54 H new ATOM 0 HZ2 TRP A 35 1.564 -23.755 3.675 1.00 71.35 H new ATOM 0 HZ3 TRP A 35 3.303 -21.381 0.570 1.00 54.11 H new ATOM 0 HH2 TRP A 35 2.407 -23.525 1.378 1.00 23.31 H new ATOM 598 N ARG A 36 0.599 -15.904 6.036 1.00 41.11 N ATOM 599 CA ARG A 36 -0.421 -15.650 7.047 1.00 3.43 C ATOM 600 C ARG A 36 -1.212 -14.388 6.716 1.00 63.13 C ATOM 601 O ARG A 36 -0.642 -13.371 6.319 1.00 43.22 O ATOM 602 CB ARG A 36 0.224 -15.513 8.427 1.00 34.14 C ATOM 603 CG ARG A 36 0.321 -16.827 9.187 1.00 54.21 C ATOM 604 CD ARG A 36 1.304 -17.781 8.527 1.00 11.45 C ATOM 605 NE ARG A 36 2.656 -17.624 9.055 1.00 23.15 N ATOM 606 CZ ARG A 36 3.548 -16.777 8.554 1.00 52.02 C ATOM 607 NH1 ARG A 36 3.231 -16.013 7.517 1.00 10.42 N ATOM 608 NH2 ARG A 36 4.758 -16.692 9.089 1.00 43.33 N ATOM 0 H ARG A 36 1.297 -15.165 5.946 1.00 41.11 H new ATOM 0 HA ARG A 36 -1.108 -16.496 7.056 1.00 3.43 H new ATOM 0 HB2 ARG A 36 1.224 -15.095 8.312 1.00 34.14 H new ATOM 0 HB3 ARG A 36 -0.352 -14.802 9.019 1.00 34.14 H new ATOM 0 HG2 ARG A 36 0.634 -16.633 10.213 1.00 54.21 H new ATOM 0 HG3 ARG A 36 -0.663 -17.293 9.237 1.00 54.21 H new ATOM 0 HD2 ARG A 36 0.972 -18.808 8.681 1.00 11.45 H new ATOM 0 HD3 ARG A 36 1.312 -17.606 7.451 1.00 11.45 H new ATOM 0 HE ARG A 36 2.931 -18.197 9.853 1.00 23.15 H new ATOM 0 HH11 ARG A 36 2.301 -16.075 7.103 1.00 10.42 H new ATOM 0 HH12 ARG A 36 3.917 -15.363 7.134 1.00 10.42 H new ATOM 0 HH21 ARG A 36 5.005 -17.278 9.887 1.00 43.33 H new ATOM 0 HH22 ARG A 36 5.442 -16.041 8.703 1.00 43.33 H new ATOM 622 N CYS A 37 -2.528 -14.460 6.881 1.00 20.42 N ATOM 623 CA CYS A 37 -3.399 -13.325 6.600 1.00 21.53 C ATOM 624 C CYS A 37 -2.972 -12.101 7.404 1.00 35.10 C ATOM 625 O CYS A 37 -2.847 -12.160 8.627 1.00 22.11 O ATOM 626 CB CYS A 37 -4.853 -13.680 6.920 1.00 4.23 C ATOM 627 SG CYS A 37 -5.258 -13.624 8.695 1.00 4.42 S ATOM 0 H CYS A 37 -3.016 -15.294 7.208 1.00 20.42 H new ATOM 0 HA CYS A 37 -3.316 -13.088 5.539 1.00 21.53 H new ATOM 0 HB2 CYS A 37 -5.510 -12.993 6.387 1.00 4.23 H new ATOM 0 HB3 CYS A 37 -5.063 -14.680 6.542 1.00 4.23 H new ATOM 632 N LYS A 38 -2.753 -10.991 6.708 1.00 44.45 N ATOM 633 CA LYS A 38 -2.342 -9.750 7.355 1.00 20.35 C ATOM 634 C LYS A 38 -3.441 -9.228 8.276 1.00 73.05 C ATOM 635 O LYS A 38 -4.623 -9.485 8.055 1.00 62.40 O ATOM 636 CB LYS A 38 -1.997 -8.693 6.305 1.00 53.11 C ATOM 637 CG LYS A 38 -0.851 -9.094 5.391 1.00 14.14 C ATOM 638 CD LYS A 38 0.240 -9.826 6.154 1.00 31.33 C ATOM 639 CE LYS A 38 0.828 -8.958 7.256 1.00 60.05 C ATOM 640 NZ LYS A 38 1.812 -9.706 8.086 1.00 24.32 N ATOM 0 H LYS A 38 -2.853 -10.925 5.695 1.00 44.45 H new ATOM 0 HA LYS A 38 -1.457 -9.958 7.956 1.00 20.35 H new ATOM 0 HB2 LYS A 38 -2.881 -8.493 5.699 1.00 53.11 H new ATOM 0 HB3 LYS A 38 -1.739 -7.762 6.810 1.00 53.11 H new ATOM 0 HG2 LYS A 38 -1.228 -9.732 4.592 1.00 14.14 H new ATOM 0 HG3 LYS A 38 -0.433 -8.205 4.919 1.00 14.14 H new ATOM 0 HD2 LYS A 38 -0.168 -10.739 6.587 1.00 31.33 H new ATOM 0 HD3 LYS A 38 1.030 -10.125 5.465 1.00 31.33 H new ATOM 0 HE2 LYS A 38 1.313 -8.088 6.813 1.00 60.05 H new ATOM 0 HE3 LYS A 38 0.025 -8.586 7.892 1.00 60.05 H new ATOM 0 HZ1 LYS A 38 2.190 -9.080 8.825 1.00 24.32 H new ATOM 0 HZ2 LYS A 38 1.343 -10.522 8.529 1.00 24.32 H new ATOM 0 HZ3 LYS A 38 2.591 -10.040 7.484 1.00 24.32 H new ATOM 654 N ASN A 39 -3.042 -8.490 9.307 1.00 11.21 N ATOM 655 CA ASN A 39 -3.993 -7.930 10.260 1.00 54.15 C ATOM 656 C ASN A 39 -4.852 -6.854 9.603 1.00 32.01 C ATOM 657 O ASN A 39 -6.078 -6.877 9.706 1.00 23.34 O ATOM 658 CB ASN A 39 -3.255 -7.344 11.464 1.00 5.52 C ATOM 659 CG ASN A 39 -2.147 -8.252 11.962 1.00 30.04 C ATOM 660 OD1 ASN A 39 -0.969 -8.022 11.689 1.00 52.04 O ATOM 661 ND2 ASN A 39 -2.521 -9.292 12.698 1.00 23.24 N ATOM 0 H ASN A 39 -2.067 -8.266 9.504 1.00 11.21 H new ATOM 0 HA ASN A 39 -4.646 -8.734 10.599 1.00 54.15 H new ATOM 0 HB2 ASN A 39 -2.833 -6.376 11.192 1.00 5.52 H new ATOM 0 HB3 ASN A 39 -3.966 -7.167 12.271 1.00 5.52 H new ATOM 0 HD21 ASN A 39 -1.820 -9.938 13.061 1.00 23.24 H new ATOM 0 HD22 ASN A 39 -3.509 -9.445 12.900 1.00 23.24 H new ATOM 668 N GLN A 40 -4.199 -5.914 8.927 1.00 11.45 N ATOM 669 CA GLN A 40 -4.904 -4.830 8.253 1.00 4.42 C ATOM 670 C GLN A 40 -4.116 -4.338 7.044 1.00 51.01 C ATOM 671 O GLN A 40 -2.934 -4.642 6.895 1.00 25.40 O ATOM 672 CB GLN A 40 -5.147 -3.672 9.223 1.00 50.11 C ATOM 673 CG GLN A 40 -6.468 -3.771 9.970 1.00 41.23 C ATOM 674 CD GLN A 40 -6.408 -3.138 11.347 1.00 41.03 C ATOM 675 OE1 GLN A 40 -6.316 -3.834 12.358 1.00 42.42 O ATOM 676 NE2 GLN A 40 -6.461 -1.812 11.392 1.00 3.03 N ATOM 0 H GLN A 40 -3.184 -5.881 8.832 1.00 11.45 H new ATOM 0 HA GLN A 40 -5.864 -5.213 7.907 1.00 4.42 H new ATOM 0 HB2 GLN A 40 -4.332 -3.637 9.946 1.00 50.11 H new ATOM 0 HB3 GLN A 40 -5.122 -2.734 8.669 1.00 50.11 H new ATOM 0 HG2 GLN A 40 -7.249 -3.286 9.385 1.00 41.23 H new ATOM 0 HG3 GLN A 40 -6.748 -4.820 10.068 1.00 41.23 H new ATOM 0 HE21 GLN A 40 -6.537 -1.275 10.528 1.00 3.03 H new ATOM 0 HE22 GLN A 40 -6.426 -1.330 12.290 1.00 3.03 H new ATOM 685 N ASN A 41 -4.782 -3.576 6.181 1.00 23.02 N ATOM 686 CA ASN A 41 -4.143 -3.043 4.983 1.00 73.35 C ATOM 687 C ASN A 41 -4.991 -1.938 4.360 1.00 35.14 C ATOM 688 O ASN A 41 -6.150 -1.745 4.731 1.00 70.40 O ATOM 689 CB ASN A 41 -3.914 -4.160 3.963 1.00 53.25 C ATOM 690 CG ASN A 41 -2.675 -3.927 3.120 1.00 42.24 C ATOM 691 OD1 ASN A 41 -2.809 -3.104 2.086 1.00 31.12 O flip ATOM 692 ND2 ASN A 41 -1.610 -4.481 3.394 1.00 0.21 N flip ATOM 0 H ASN A 41 -5.762 -3.314 6.289 1.00 23.02 H new ATOM 0 HA ASN A 41 -3.181 -2.620 5.272 1.00 73.35 H new ATOM 0 HB2 ASN A 41 -3.821 -5.112 4.485 1.00 53.25 H new ATOM 0 HB3 ASN A 41 -4.784 -4.238 3.311 1.00 53.25 H new ATOM 0 HD21 ASN A 41 -1.552 -5.106 4.198 1.00 0.21 H new ATOM 0 HD22 ASN A 41 -0.786 -4.315 2.817 1.00 0.21 H new ATOM 699 N THR A 42 -4.407 -1.213 3.412 1.00 21.12 N ATOM 700 CA THR A 42 -5.108 -0.126 2.739 1.00 25.12 C ATOM 701 C THR A 42 -4.786 -0.105 1.249 1.00 32.20 C ATOM 702 O THR A 42 -3.627 0.029 0.856 1.00 72.32 O ATOM 703 CB THR A 42 -4.746 1.240 3.350 1.00 5.51 C ATOM 704 OG1 THR A 42 -5.147 1.284 4.725 1.00 65.32 O ATOM 705 CG2 THR A 42 -5.415 2.370 2.585 1.00 75.25 C ATOM 0 H THR A 42 -3.449 -1.359 3.092 1.00 21.12 H new ATOM 0 HA THR A 42 -6.174 -0.305 2.876 1.00 25.12 H new ATOM 0 HB THR A 42 -3.666 1.368 3.283 1.00 5.51 H new ATOM 0 HG1 THR A 42 -4.912 2.155 5.107 1.00 65.32 H new ATOM 0 HG21 THR A 42 -5.144 3.325 3.036 1.00 75.25 H new ATOM 0 HG22 THR A 42 -5.084 2.352 1.547 1.00 75.25 H new ATOM 0 HG23 THR A 42 -6.497 2.245 2.623 1.00 75.25 H new ATOM 713 N PHE A 43 -5.819 -0.238 0.423 1.00 3.21 N ATOM 714 CA PHE A 43 -5.646 -0.234 -1.024 1.00 73.34 C ATOM 715 C PHE A 43 -6.017 1.124 -1.612 1.00 74.42 C ATOM 716 O PHE A 43 -7.196 1.464 -1.723 1.00 70.24 O ATOM 717 CB PHE A 43 -6.500 -1.330 -1.664 1.00 35.41 C ATOM 718 CG PHE A 43 -6.431 -2.644 -0.940 1.00 4.24 C ATOM 719 CD1 PHE A 43 -5.408 -2.902 -0.042 1.00 2.52 C ATOM 720 CD2 PHE A 43 -7.388 -3.621 -1.157 1.00 62.31 C ATOM 721 CE1 PHE A 43 -5.341 -4.109 0.628 1.00 34.00 C ATOM 722 CE2 PHE A 43 -7.327 -4.831 -0.490 1.00 61.05 C ATOM 723 CZ PHE A 43 -6.302 -5.075 0.401 1.00 4.12 C ATOM 0 H PHE A 43 -6.785 -0.350 0.732 1.00 3.21 H new ATOM 0 HA PHE A 43 -4.596 -0.429 -1.240 1.00 73.34 H new ATOM 0 HB2 PHE A 43 -7.537 -0.997 -1.698 1.00 35.41 H new ATOM 0 HB3 PHE A 43 -6.177 -1.475 -2.695 1.00 35.41 H new ATOM 0 HD1 PHE A 43 -4.653 -2.150 0.137 1.00 2.52 H new ATOM 0 HD2 PHE A 43 -8.191 -3.436 -1.855 1.00 62.31 H new ATOM 0 HE1 PHE A 43 -4.539 -4.296 1.327 1.00 34.00 H new ATOM 0 HE2 PHE A 43 -8.081 -5.584 -0.666 1.00 61.05 H new ATOM 0 HZ PHE A 43 -6.251 -6.020 0.920 1.00 4.12 H new ATOM 733 N LEU A 44 -5.003 1.897 -1.987 1.00 73.32 N ATOM 734 CA LEU A 44 -5.222 3.218 -2.564 1.00 41.15 C ATOM 735 C LEU A 44 -5.564 3.116 -4.048 1.00 43.42 C ATOM 736 O LEU A 44 -4.814 2.530 -4.828 1.00 62.13 O ATOM 737 CB LEU A 44 -3.979 4.091 -2.374 1.00 73.34 C ATOM 738 CG LEU A 44 -3.148 3.811 -1.123 1.00 50.04 C ATOM 739 CD1 LEU A 44 -2.373 5.053 -0.708 1.00 23.34 C ATOM 740 CD2 LEU A 44 -4.038 3.332 0.013 1.00 34.14 C ATOM 0 H LEU A 44 -4.022 1.631 -1.902 1.00 73.32 H new ATOM 0 HA LEU A 44 -6.065 3.678 -2.047 1.00 41.15 H new ATOM 0 HB2 LEU A 44 -3.337 3.970 -3.247 1.00 73.34 H new ATOM 0 HB3 LEU A 44 -4.293 5.135 -2.352 1.00 73.34 H new ATOM 0 HG LEU A 44 -2.433 3.022 -1.355 1.00 50.04 H new ATOM 0 HD11 LEU A 44 -1.787 4.835 0.185 1.00 23.34 H new ATOM 0 HD12 LEU A 44 -1.706 5.352 -1.516 1.00 23.34 H new ATOM 0 HD13 LEU A 44 -3.071 5.863 -0.495 1.00 23.34 H new ATOM 0 HD21 LEU A 44 -3.429 3.138 0.896 1.00 34.14 H new ATOM 0 HD22 LEU A 44 -4.777 4.099 0.244 1.00 34.14 H new ATOM 0 HD23 LEU A 44 -4.547 2.416 -0.285 1.00 34.14 H new ATOM 752 N ARG A 45 -6.699 3.691 -4.429 1.00 53.40 N ATOM 753 CA ARG A 45 -7.140 3.666 -5.819 1.00 25.23 C ATOM 754 C ARG A 45 -6.359 4.675 -6.655 1.00 62.34 C ATOM 755 O ARG A 45 -6.852 5.761 -6.960 1.00 12.34 O ATOM 756 CB ARG A 45 -8.638 3.964 -5.907 1.00 43.40 C ATOM 757 CG ARG A 45 -9.503 2.963 -5.160 1.00 0.43 C ATOM 758 CD ARG A 45 -10.932 2.965 -5.680 1.00 32.33 C ATOM 759 NE ARG A 45 -11.760 3.958 -5.000 1.00 4.31 N ATOM 760 CZ ARG A 45 -12.347 3.747 -3.827 1.00 23.30 C ATOM 761 NH1 ARG A 45 -12.196 2.585 -3.207 1.00 14.32 N ATOM 762 NH2 ARG A 45 -13.085 4.699 -3.272 1.00 51.34 N ATOM 0 H ARG A 45 -7.331 4.180 -3.795 1.00 53.40 H new ATOM 0 HA ARG A 45 -6.952 2.668 -6.216 1.00 25.23 H new ATOM 0 HB2 ARG A 45 -8.825 4.961 -5.509 1.00 43.40 H new ATOM 0 HB3 ARG A 45 -8.936 3.978 -6.955 1.00 43.40 H new ATOM 0 HG2 ARG A 45 -9.078 1.965 -5.264 1.00 0.43 H new ATOM 0 HG3 ARG A 45 -9.501 3.201 -4.096 1.00 0.43 H new ATOM 0 HD2 ARG A 45 -10.928 3.168 -6.751 1.00 32.33 H new ATOM 0 HD3 ARG A 45 -11.368 1.975 -5.545 1.00 32.33 H new ATOM 0 HE ARG A 45 -11.895 4.863 -5.451 1.00 4.31 H new ATOM 0 HH11 ARG A 45 -11.628 1.851 -3.630 1.00 14.32 H new ATOM 0 HH12 ARG A 45 -12.647 2.425 -2.306 1.00 14.32 H new ATOM 0 HH21 ARG A 45 -13.203 5.595 -3.746 1.00 51.34 H new ATOM 0 HH22 ARG A 45 -13.535 4.536 -2.371 1.00 51.34 H new ATOM 776 N THR A 46 -5.134 4.309 -7.024 1.00 74.55 N ATOM 777 CA THR A 46 -4.284 5.181 -7.824 1.00 54.24 C ATOM 778 C THR A 46 -3.164 4.395 -8.494 1.00 25.44 C ATOM 779 O THR A 46 -2.837 3.283 -8.078 1.00 61.44 O ATOM 780 CB THR A 46 -3.669 6.304 -6.969 1.00 3.42 C ATOM 781 OG1 THR A 46 -3.036 7.273 -7.812 1.00 0.25 O ATOM 782 CG2 THR A 46 -2.653 5.739 -5.986 1.00 51.23 C ATOM 0 H THR A 46 -4.709 3.414 -6.781 1.00 74.55 H new ATOM 0 HA THR A 46 -4.920 5.625 -8.590 1.00 54.24 H new ATOM 0 HB THR A 46 -4.471 6.782 -6.406 1.00 3.42 H new ATOM 0 HG1 THR A 46 -2.649 7.984 -7.260 1.00 0.25 H new ATOM 0 HG21 THR A 46 -2.231 6.550 -5.392 1.00 51.23 H new ATOM 0 HG22 THR A 46 -3.144 5.024 -5.326 1.00 51.23 H new ATOM 0 HG23 THR A 46 -1.855 5.238 -6.535 1.00 51.23 H new ATOM 790 N THR A 47 -2.576 4.979 -9.533 1.00 25.33 N ATOM 791 CA THR A 47 -1.491 4.332 -10.260 1.00 41.22 C ATOM 792 C THR A 47 -0.153 4.556 -9.565 1.00 44.02 C ATOM 793 O THR A 47 0.007 5.502 -8.794 1.00 13.31 O ATOM 794 CB THR A 47 -1.398 4.850 -11.708 1.00 2.32 C ATOM 795 OG1 THR A 47 -2.692 5.254 -12.168 1.00 20.22 O ATOM 796 CG2 THR A 47 -0.837 3.779 -12.631 1.00 71.22 C ATOM 0 H THR A 47 -2.833 5.899 -9.890 1.00 25.33 H new ATOM 0 HA THR A 47 -1.714 3.265 -10.277 1.00 41.22 H new ATOM 0 HB THR A 47 -0.725 5.707 -11.721 1.00 2.32 H new ATOM 0 HG1 THR A 47 -2.624 5.584 -13.088 1.00 20.22 H new ATOM 0 HG21 THR A 47 -0.781 4.168 -13.648 1.00 71.22 H new ATOM 0 HG22 THR A 47 0.160 3.495 -12.295 1.00 71.22 H new ATOM 0 HG23 THR A 47 -1.488 2.905 -12.612 1.00 71.22 H new ATOM 804 N PHE A 48 0.808 3.680 -9.844 1.00 54.51 N ATOM 805 CA PHE A 48 2.133 3.784 -9.245 1.00 24.53 C ATOM 806 C PHE A 48 2.792 5.113 -9.605 1.00 64.51 C ATOM 807 O PHE A 48 3.515 5.698 -8.800 1.00 22.25 O ATOM 808 CB PHE A 48 3.016 2.622 -9.706 1.00 64.34 C ATOM 809 CG PHE A 48 4.082 2.249 -8.716 1.00 13.12 C ATOM 810 CD1 PHE A 48 3.743 1.773 -7.459 1.00 53.13 C ATOM 811 CD2 PHE A 48 5.423 2.374 -9.041 1.00 50.41 C ATOM 812 CE1 PHE A 48 4.721 1.430 -6.546 1.00 25.02 C ATOM 813 CE2 PHE A 48 6.406 2.032 -8.132 1.00 5.35 C ATOM 814 CZ PHE A 48 6.054 1.558 -6.883 1.00 42.40 C ATOM 0 H PHE A 48 0.693 2.891 -10.481 1.00 54.51 H new ATOM 0 HA PHE A 48 2.019 3.738 -8.162 1.00 24.53 H new ATOM 0 HB2 PHE A 48 2.388 1.752 -9.896 1.00 64.34 H new ATOM 0 HB3 PHE A 48 3.487 2.888 -10.652 1.00 64.34 H new ATOM 0 HD1 PHE A 48 2.702 1.669 -7.190 1.00 53.13 H new ATOM 0 HD2 PHE A 48 5.703 2.743 -10.016 1.00 50.41 H new ATOM 0 HE1 PHE A 48 4.443 1.062 -5.569 1.00 25.02 H new ATOM 0 HE2 PHE A 48 7.448 2.135 -8.398 1.00 5.35 H new ATOM 0 HZ PHE A 48 6.820 1.288 -6.171 1.00 42.40 H new ATOM 824 N ALA A 49 2.536 5.582 -10.823 1.00 24.51 N ATOM 825 CA ALA A 49 3.102 6.840 -11.291 1.00 0.44 C ATOM 826 C ALA A 49 2.629 8.008 -10.431 1.00 61.52 C ATOM 827 O ALA A 49 3.419 8.865 -10.042 1.00 43.12 O ATOM 828 CB ALA A 49 2.738 7.074 -12.749 1.00 31.23 C ATOM 0 H ALA A 49 1.940 5.109 -11.502 1.00 24.51 H new ATOM 0 HA ALA A 49 4.187 6.775 -11.206 1.00 0.44 H new ATOM 0 HB1 ALA A 49 3.168 8.018 -13.084 1.00 31.23 H new ATOM 0 HB2 ALA A 49 3.131 6.260 -13.357 1.00 31.23 H new ATOM 0 HB3 ALA A 49 1.654 7.113 -12.852 1.00 31.23 H new ATOM 834 N ASN A 50 1.332 8.033 -10.140 1.00 54.44 N ATOM 835 CA ASN A 50 0.753 9.097 -9.328 1.00 12.54 C ATOM 836 C ASN A 50 1.295 9.052 -7.903 1.00 64.42 C ATOM 837 O ASN A 50 1.248 10.044 -7.176 1.00 64.32 O ATOM 838 CB ASN A 50 -0.773 8.980 -9.308 1.00 71.23 C ATOM 839 CG ASN A 50 -1.388 9.217 -10.675 1.00 20.44 C ATOM 840 OD1 ASN A 50 -1.421 10.345 -11.166 1.00 25.34 O ATOM 841 ND2 ASN A 50 -1.880 8.150 -11.294 1.00 62.24 N ATOM 0 H ASN A 50 0.663 7.330 -10.454 1.00 54.44 H new ATOM 0 HA ASN A 50 1.032 10.051 -9.774 1.00 12.54 H new ATOM 0 HB2 ASN A 50 -1.054 7.989 -8.953 1.00 71.23 H new ATOM 0 HB3 ASN A 50 -1.181 9.700 -8.599 1.00 71.23 H new ATOM 0 HD21 ASN A 50 -2.307 8.247 -12.215 1.00 62.24 H new ATOM 0 HD22 ASN A 50 -1.831 7.234 -10.848 1.00 62.24 H new ATOM 848 N VAL A 51 1.812 7.891 -7.509 1.00 74.21 N ATOM 849 CA VAL A 51 2.365 7.714 -6.173 1.00 12.03 C ATOM 850 C VAL A 51 3.807 8.205 -6.106 1.00 25.21 C ATOM 851 O VAL A 51 4.198 8.889 -5.159 1.00 62.34 O ATOM 852 CB VAL A 51 2.316 6.239 -5.734 1.00 72.44 C ATOM 853 CG1 VAL A 51 3.300 5.983 -4.603 1.00 51.23 C ATOM 854 CG2 VAL A 51 0.903 5.853 -5.321 1.00 22.32 C ATOM 0 H VAL A 51 1.859 7.059 -8.098 1.00 74.21 H new ATOM 0 HA VAL A 51 1.750 8.306 -5.496 1.00 12.03 H new ATOM 0 HB VAL A 51 2.606 5.617 -6.581 1.00 72.44 H new ATOM 0 HG11 VAL A 51 3.250 4.935 -4.307 1.00 51.23 H new ATOM 0 HG12 VAL A 51 4.310 6.217 -4.939 1.00 51.23 H new ATOM 0 HG13 VAL A 51 3.046 6.613 -3.750 1.00 51.23 H new ATOM 0 HG21 VAL A 51 0.887 4.807 -5.014 1.00 22.32 H new ATOM 0 HG22 VAL A 51 0.583 6.481 -4.489 1.00 22.32 H new ATOM 0 HG23 VAL A 51 0.226 5.994 -6.164 1.00 22.32 H new ATOM 864 N VAL A 52 4.594 7.851 -7.116 1.00 42.33 N ATOM 865 CA VAL A 52 5.994 8.257 -7.174 1.00 32.12 C ATOM 866 C VAL A 52 6.126 9.775 -7.151 1.00 44.42 C ATOM 867 O VAL A 52 7.037 10.318 -6.528 1.00 1.42 O ATOM 868 CB VAL A 52 6.685 7.710 -8.437 1.00 74.21 C ATOM 869 CG1 VAL A 52 8.183 7.968 -8.380 1.00 23.41 C ATOM 870 CG2 VAL A 52 6.396 6.226 -8.603 1.00 21.11 C ATOM 0 H VAL A 52 4.287 7.284 -7.906 1.00 42.33 H new ATOM 0 HA VAL A 52 6.482 7.840 -6.293 1.00 32.12 H new ATOM 0 HB VAL A 52 6.284 8.233 -9.305 1.00 74.21 H new ATOM 0 HG11 VAL A 52 8.654 7.575 -9.281 1.00 23.41 H new ATOM 0 HG12 VAL A 52 8.365 9.041 -8.314 1.00 23.41 H new ATOM 0 HG13 VAL A 52 8.604 7.474 -7.505 1.00 23.41 H new ATOM 0 HG21 VAL A 52 6.892 5.857 -9.501 1.00 21.11 H new ATOM 0 HG22 VAL A 52 6.768 5.683 -7.734 1.00 21.11 H new ATOM 0 HG23 VAL A 52 5.321 6.073 -8.694 1.00 21.11 H new ATOM 880 N ASN A 53 5.212 10.455 -7.836 1.00 64.40 N ATOM 881 CA ASN A 53 5.228 11.912 -7.895 1.00 24.40 C ATOM 882 C ASN A 53 5.001 12.514 -6.511 1.00 63.33 C ATOM 883 O ASN A 53 5.440 13.629 -6.229 1.00 41.44 O ATOM 884 CB ASN A 53 4.157 12.415 -8.864 1.00 33.13 C ATOM 885 CG ASN A 53 3.646 13.795 -8.496 1.00 2.00 C ATOM 886 OD1 ASN A 53 2.777 13.855 -7.494 1.00 0.44 O flip ATOM 887 ND2 ASN A 53 4.030 14.793 -9.105 1.00 73.15 N flip ATOM 0 H ASN A 53 4.451 10.020 -8.358 1.00 64.40 H new ATOM 0 HA ASN A 53 6.208 12.226 -8.253 1.00 24.40 H new ATOM 0 HB2 ASN A 53 4.567 12.440 -9.874 1.00 33.13 H new ATOM 0 HB3 ASN A 53 3.323 11.713 -8.876 1.00 33.13 H new ATOM 0 HD21 ASN A 53 4.699 14.698 -9.869 1.00 73.15 H new ATOM 0 HD22 ASN A 53 3.679 15.715 -8.846 1.00 73.15 H new ATOM 894 N VAL A 54 4.314 11.768 -5.652 1.00 0.51 N ATOM 895 CA VAL A 54 4.031 12.227 -4.298 1.00 1.54 C ATOM 896 C VAL A 54 5.291 12.215 -3.438 1.00 31.42 C ATOM 897 O VAL A 54 5.392 12.948 -2.455 1.00 2.14 O ATOM 898 CB VAL A 54 2.955 11.356 -3.624 1.00 53.50 C ATOM 899 CG1 VAL A 54 3.005 11.519 -2.112 1.00 12.11 C ATOM 900 CG2 VAL A 54 1.575 11.705 -4.160 1.00 51.34 C ATOM 0 H VAL A 54 3.943 10.843 -5.870 1.00 0.51 H new ATOM 0 HA VAL A 54 3.661 13.249 -4.381 1.00 1.54 H new ATOM 0 HB VAL A 54 3.158 10.311 -3.860 1.00 53.50 H new ATOM 0 HG11 VAL A 54 2.237 10.896 -1.653 1.00 12.11 H new ATOM 0 HG12 VAL A 54 3.986 11.215 -1.746 1.00 12.11 H new ATOM 0 HG13 VAL A 54 2.828 12.563 -1.853 1.00 12.11 H new ATOM 0 HG21 VAL A 54 0.827 11.080 -3.673 1.00 51.34 H new ATOM 0 HG22 VAL A 54 1.360 12.754 -3.956 1.00 51.34 H new ATOM 0 HG23 VAL A 54 1.548 11.532 -5.236 1.00 51.34 H new ATOM 910 N CYS A 55 6.249 11.376 -3.816 1.00 63.25 N ATOM 911 CA CYS A 55 7.504 11.267 -3.081 1.00 62.34 C ATOM 912 C CYS A 55 8.406 12.465 -3.363 1.00 22.32 C ATOM 913 O CYS A 55 9.254 12.822 -2.547 1.00 14.31 O ATOM 914 CB CYS A 55 8.227 9.971 -3.455 1.00 34.11 C ATOM 915 SG CYS A 55 7.264 8.460 -3.125 1.00 75.04 S ATOM 0 H CYS A 55 6.181 10.761 -4.627 1.00 63.25 H new ATOM 0 HA CYS A 55 7.272 11.252 -2.016 1.00 62.34 H new ATOM 0 HB2 CYS A 55 8.482 10.002 -4.514 1.00 34.11 H new ATOM 0 HB3 CYS A 55 9.165 9.919 -2.903 1.00 34.11 H new ATOM 920 N GLY A 56 8.216 13.081 -4.526 1.00 52.31 N ATOM 921 CA GLY A 56 9.019 14.232 -4.896 1.00 53.23 C ATOM 922 C GLY A 56 8.534 15.511 -4.242 1.00 61.33 C ATOM 923 O GLY A 56 9.157 16.562 -4.385 1.00 14.44 O ATOM 0 H GLY A 56 7.520 12.803 -5.218 1.00 52.31 H new ATOM 0 HA2 GLY A 56 10.056 14.054 -4.613 1.00 53.23 H new ATOM 0 HA3 GLY A 56 9.000 14.351 -5.979 1.00 53.23 H new ATOM 927 N ASN A 57 7.418 15.422 -3.526 1.00 22.22 N ATOM 928 CA ASN A 57 6.849 16.581 -2.851 1.00 75.01 C ATOM 929 C ASN A 57 7.560 16.844 -1.526 1.00 71.12 C ATOM 930 O ASN A 57 8.285 15.988 -1.021 1.00 20.33 O ATOM 931 CB ASN A 57 5.353 16.372 -2.606 1.00 64.34 C ATOM 932 CG ASN A 57 4.504 16.853 -3.767 1.00 32.41 C ATOM 933 OD1 ASN A 57 4.666 17.975 -4.246 1.00 43.24 O ATOM 934 ND2 ASN A 57 3.593 16.003 -4.225 1.00 74.23 N ATOM 0 H ASN A 57 6.890 14.559 -3.399 1.00 22.22 H new ATOM 0 HA ASN A 57 6.988 17.449 -3.496 1.00 75.01 H new ATOM 0 HB2 ASN A 57 5.160 15.313 -2.433 1.00 64.34 H new ATOM 0 HB3 ASN A 57 5.058 16.902 -1.700 1.00 64.34 H new ATOM 0 HD21 ASN A 57 2.992 16.270 -5.005 1.00 74.23 H new ATOM 0 HD22 ASN A 57 3.494 15.082 -3.797 1.00 74.23 H new ATOM 941 N GLN A 58 7.346 18.032 -0.971 1.00 31.20 N ATOM 942 CA GLN A 58 7.967 18.407 0.294 1.00 1.00 C ATOM 943 C GLN A 58 7.830 17.287 1.319 1.00 20.15 C ATOM 944 O GLN A 58 6.742 17.037 1.838 1.00 1.14 O ATOM 945 CB GLN A 58 7.337 19.691 0.835 1.00 64.31 C ATOM 946 CG GLN A 58 8.273 20.504 1.714 1.00 10.12 C ATOM 947 CD GLN A 58 8.278 20.032 3.155 1.00 2.23 C ATOM 948 OE1 GLN A 58 9.458 19.696 3.663 1.00 52.34 O flip ATOM 949 NE2 GLN A 58 7.233 19.969 3.804 1.00 21.53 N flip ATOM 0 H GLN A 58 6.748 18.751 -1.377 1.00 31.20 H new ATOM 0 HA GLN A 58 9.028 18.581 0.113 1.00 1.00 H new ATOM 0 HB2 GLN A 58 7.012 20.308 -0.003 1.00 64.31 H new ATOM 0 HB3 GLN A 58 6.445 19.435 1.407 1.00 64.31 H new ATOM 0 HG2 GLN A 58 9.285 20.445 1.313 1.00 10.12 H new ATOM 0 HG3 GLN A 58 7.978 21.553 1.680 1.00 10.12 H new ATOM 0 HE21 GLN A 58 6.348 20.237 3.373 1.00 21.53 H new ATOM 0 HE22 GLN A 58 7.252 19.649 4.772 1.00 21.53 H new ATOM 958 N SER A 59 8.940 16.615 1.607 1.00 2.43 N ATOM 959 CA SER A 59 8.944 15.518 2.568 1.00 13.41 C ATOM 960 C SER A 59 8.664 16.031 3.978 1.00 51.23 C ATOM 961 O SER A 59 8.830 17.218 4.263 1.00 4.12 O ATOM 962 CB SER A 59 10.287 14.788 2.536 1.00 5.32 C ATOM 963 OG SER A 59 11.367 15.703 2.592 1.00 10.52 O ATOM 0 H SER A 59 9.849 16.811 1.188 1.00 2.43 H new ATOM 0 HA SER A 59 8.154 14.821 2.290 1.00 13.41 H new ATOM 0 HB2 SER A 59 10.348 14.096 3.376 1.00 5.32 H new ATOM 0 HB3 SER A 59 10.359 14.192 1.626 1.00 5.32 H new ATOM 0 HG SER A 59 12.214 15.211 2.572 1.00 10.52 H new ATOM 969 N ILE A 60 8.239 15.128 4.855 1.00 62.00 N ATOM 970 CA ILE A 60 7.937 15.488 6.235 1.00 4.33 C ATOM 971 C ILE A 60 8.335 14.370 7.194 1.00 14.34 C ATOM 972 O ILE A 60 8.809 13.317 6.772 1.00 65.20 O ATOM 973 CB ILE A 60 6.441 15.800 6.421 1.00 53.13 C ATOM 974 CG1 ILE A 60 5.594 14.903 5.517 1.00 14.21 C ATOM 975 CG2 ILE A 60 6.166 17.268 6.127 1.00 2.44 C ATOM 976 CD1 ILE A 60 4.105 15.127 5.667 1.00 70.15 C ATOM 0 H ILE A 60 8.096 14.142 4.635 1.00 62.00 H new ATOM 0 HA ILE A 60 8.517 16.383 6.462 1.00 4.33 H new ATOM 0 HB ILE A 60 6.169 15.599 7.457 1.00 53.13 H new ATOM 0 HG12 ILE A 60 5.877 15.077 4.479 1.00 14.21 H new ATOM 0 HG13 ILE A 60 5.820 13.860 5.739 1.00 14.21 H new ATOM 0 HG21 ILE A 60 5.104 17.474 6.263 1.00 2.44 H new ATOM 0 HG22 ILE A 60 6.746 17.890 6.808 1.00 2.44 H new ATOM 0 HG23 ILE A 60 6.451 17.493 5.099 1.00 2.44 H new ATOM 0 HD11 ILE A 60 3.567 14.457 4.996 1.00 70.15 H new ATOM 0 HD12 ILE A 60 3.809 14.925 6.696 1.00 70.15 H new ATOM 0 HD13 ILE A 60 3.866 16.160 5.417 1.00 70.15 H new ATOM 988 N ARG A 61 8.135 14.609 8.487 1.00 44.13 N ATOM 989 CA ARG A 61 8.473 13.622 9.505 1.00 35.23 C ATOM 990 C ARG A 61 7.347 12.604 9.669 1.00 14.52 C ATOM 991 O ARG A 61 6.195 12.969 9.906 1.00 32.51 O ATOM 992 CB ARG A 61 8.748 14.313 10.843 1.00 73.33 C ATOM 993 CG ARG A 61 7.879 15.535 11.088 1.00 73.14 C ATOM 994 CD ARG A 61 8.534 16.800 10.553 1.00 33.14 C ATOM 995 NE ARG A 61 7.553 17.844 10.268 1.00 51.40 N ATOM 996 CZ ARG A 61 7.865 19.130 10.144 1.00 54.11 C ATOM 997 NH1 ARG A 61 9.123 19.527 10.279 1.00 11.25 N ATOM 998 NH2 ARG A 61 6.917 20.021 9.884 1.00 12.33 N ATOM 0 H ARG A 61 7.741 15.476 8.853 1.00 44.13 H new ATOM 0 HA ARG A 61 9.372 13.096 9.183 1.00 35.23 H new ATOM 0 HB2 ARG A 61 8.590 13.598 11.650 1.00 73.33 H new ATOM 0 HB3 ARG A 61 9.796 14.610 10.880 1.00 73.33 H new ATOM 0 HG2 ARG A 61 6.910 15.395 10.610 1.00 73.14 H new ATOM 0 HG3 ARG A 61 7.694 15.643 12.157 1.00 73.14 H new ATOM 0 HD2 ARG A 61 9.257 17.170 11.280 1.00 33.14 H new ATOM 0 HD3 ARG A 61 9.088 16.565 9.644 1.00 33.14 H new ATOM 0 HE ARG A 61 6.576 17.572 10.158 1.00 51.40 H new ATOM 0 HH11 ARG A 61 9.854 18.845 10.479 1.00 11.25 H new ATOM 0 HH12 ARG A 61 9.359 20.515 10.183 1.00 11.25 H new ATOM 0 HH21 ARG A 61 5.948 19.719 9.779 1.00 12.33 H new ATOM 0 HH22 ARG A 61 7.157 21.008 9.789 1.00 12.33 H new ATOM 1012 N CYS A 62 7.689 11.327 9.541 1.00 21.25 N ATOM 1013 CA CYS A 62 6.709 10.255 9.674 1.00 4.43 C ATOM 1014 C CYS A 62 6.302 10.069 11.133 1.00 34.31 C ATOM 1015 O CYS A 62 7.112 10.192 12.051 1.00 54.55 O ATOM 1016 CB CYS A 62 7.276 8.946 9.121 1.00 72.11 C ATOM 1017 SG CYS A 62 8.480 9.169 7.772 1.00 44.20 S ATOM 0 H CYS A 62 8.638 11.008 9.345 1.00 21.25 H new ATOM 0 HA CYS A 62 5.825 10.531 9.100 1.00 4.43 H new ATOM 0 HB2 CYS A 62 7.754 8.398 9.933 1.00 72.11 H new ATOM 0 HB3 CYS A 62 6.453 8.329 8.761 1.00 72.11 H new ATOM 1022 N PRO A 63 5.014 9.763 11.352 1.00 44.41 N ATOM 1023 CA PRO A 63 4.468 9.552 12.697 1.00 43.31 C ATOM 1024 C PRO A 63 4.985 8.268 13.336 1.00 32.34 C ATOM 1025 O PRO A 63 5.135 8.187 14.556 1.00 73.40 O ATOM 1026 CB PRO A 63 2.960 9.461 12.457 1.00 30.23 C ATOM 1027 CG PRO A 63 2.827 9.003 11.046 1.00 23.31 C ATOM 1028 CD PRO A 63 3.992 9.599 10.305 1.00 14.32 C ATOM 0 HA PRO A 63 4.756 10.348 13.384 1.00 43.31 H new ATOM 0 HB2 PRO A 63 2.491 8.759 13.147 1.00 30.23 H new ATOM 0 HB3 PRO A 63 2.476 10.426 12.607 1.00 30.23 H new ATOM 0 HG2 PRO A 63 2.842 7.915 10.986 1.00 23.31 H new ATOM 0 HG3 PRO A 63 1.881 9.333 10.616 1.00 23.31 H new ATOM 0 HD2 PRO A 63 4.337 8.944 9.505 1.00 14.32 H new ATOM 0 HD3 PRO A 63 3.731 10.552 9.845 1.00 14.32 H new ATOM 1036 N HIS A 64 5.255 7.265 12.506 1.00 51.31 N ATOM 1037 CA HIS A 64 5.755 5.984 12.992 1.00 5.11 C ATOM 1038 C HIS A 64 7.153 6.137 13.586 1.00 22.31 C ATOM 1039 O HIS A 64 7.588 5.316 14.392 1.00 62.42 O ATOM 1040 CB HIS A 64 5.781 4.959 11.858 1.00 54.31 C ATOM 1041 CG HIS A 64 4.425 4.435 11.495 1.00 3.25 C ATOM 1042 ND1 HIS A 64 3.202 4.717 12.002 1.00 53.53 N flip ATOM 1043 CD2 HIS A 64 4.220 3.501 10.500 1.00 22.41 C flip ATOM 1044 CE1 HIS A 64 2.290 3.957 11.311 1.00 32.23 C flip ATOM 1045 NE2 HIS A 64 2.930 3.234 10.410 1.00 3.13 N flip ATOM 0 H HIS A 64 5.136 7.315 11.494 1.00 51.31 H new ATOM 0 HA HIS A 64 5.082 5.633 13.774 1.00 5.11 H new ATOM 0 HB2 HIS A 64 6.233 5.415 10.977 1.00 54.31 H new ATOM 0 HB3 HIS A 64 6.419 4.124 12.148 1.00 54.31 H new ATOM 0 HD2 HIS A 64 4.994 3.058 9.890 1.00 22.41 H new ATOM 0 HE1 HIS A 64 1.223 3.952 11.477 1.00 32.23 H new ATOM 0 HE2 HIS A 64 2.501 2.580 9.755 1.00 3.13 H new ATOM 1054 N ASN A 65 7.850 7.193 13.181 1.00 64.23 N ATOM 1055 CA ASN A 65 9.199 7.452 13.672 1.00 23.03 C ATOM 1056 C ASN A 65 9.441 8.950 13.835 1.00 41.04 C ATOM 1057 O ASN A 65 9.612 9.672 12.852 1.00 24.41 O ATOM 1058 CB ASN A 65 10.236 6.857 12.717 1.00 54.40 C ATOM 1059 CG ASN A 65 9.851 5.472 12.236 1.00 20.22 C ATOM 1060 OD1 ASN A 65 9.276 5.314 11.159 1.00 31.13 O ATOM 1061 ND2 ASN A 65 10.167 4.460 13.035 1.00 25.40 N ATOM 0 H ASN A 65 7.504 7.883 12.515 1.00 64.23 H new ATOM 0 HA ASN A 65 9.300 6.977 14.648 1.00 23.03 H new ATOM 0 HB2 ASN A 65 10.355 7.517 11.858 1.00 54.40 H new ATOM 0 HB3 ASN A 65 11.202 6.809 13.219 1.00 54.40 H new ATOM 0 HD21 ASN A 65 9.933 3.505 12.765 1.00 25.40 H new ATOM 0 HD22 ASN A 65 10.644 4.638 13.919 1.00 25.40 H new ATOM 1068 N ARG A 66 9.454 9.410 15.081 1.00 33.51 N ATOM 1069 CA ARG A 66 9.674 10.822 15.372 1.00 74.52 C ATOM 1070 C ARG A 66 11.151 11.180 15.244 1.00 71.45 C ATOM 1071 O ARG A 66 11.563 12.293 15.571 1.00 41.41 O ATOM 1072 CB ARG A 66 9.178 11.157 16.779 1.00 33.14 C ATOM 1073 CG ARG A 66 9.845 10.339 17.873 1.00 64.44 C ATOM 1074 CD ARG A 66 8.983 10.269 19.123 1.00 63.25 C ATOM 1075 NE ARG A 66 9.781 10.055 20.327 1.00 51.25 N ATOM 1076 CZ ARG A 66 9.347 10.323 21.554 1.00 51.11 C ATOM 1077 NH1 ARG A 66 8.128 10.812 21.737 1.00 74.04 N ATOM 1078 NH2 ARG A 66 10.132 10.102 22.600 1.00 62.13 N ATOM 0 H ARG A 66 9.315 8.826 15.906 1.00 33.51 H new ATOM 0 HA ARG A 66 9.111 11.409 14.646 1.00 74.52 H new ATOM 0 HB2 ARG A 66 9.350 12.216 16.973 1.00 33.14 H new ATOM 0 HB3 ARG A 66 8.101 10.996 16.823 1.00 33.14 H new ATOM 0 HG2 ARG A 66 10.039 9.331 17.507 1.00 64.44 H new ATOM 0 HG3 ARG A 66 10.811 10.780 18.120 1.00 64.44 H new ATOM 0 HD2 ARG A 66 8.415 11.194 19.224 1.00 63.25 H new ATOM 0 HD3 ARG A 66 8.259 9.461 19.019 1.00 63.25 H new ATOM 0 HE ARG A 66 10.723 9.679 20.220 1.00 51.25 H new ATOM 0 HH11 ARG A 66 7.521 10.983 20.935 1.00 74.04 H new ATOM 0 HH12 ARG A 66 7.797 11.017 22.680 1.00 74.04 H new ATOM 0 HH21 ARG A 66 11.070 9.726 22.463 1.00 62.13 H new ATOM 0 HH22 ARG A 66 9.798 10.308 23.541 1.00 62.13 H new ATOM 1092 N THR A 67 11.946 10.228 14.763 1.00 30.13 N ATOM 1093 CA THR A 67 13.378 10.441 14.593 1.00 13.01 C ATOM 1094 C THR A 67 13.787 10.280 13.134 1.00 62.43 C ATOM 1095 O THR A 67 14.872 10.703 12.732 1.00 43.53 O ATOM 1096 CB THR A 67 14.198 9.464 15.456 1.00 40.55 C ATOM 1097 OG1 THR A 67 15.597 9.677 15.240 1.00 51.53 O ATOM 1098 CG2 THR A 67 13.842 8.022 15.127 1.00 64.34 C ATOM 0 H THR A 67 11.622 9.302 14.484 1.00 30.13 H new ATOM 0 HA THR A 67 13.587 11.461 14.916 1.00 13.01 H new ATOM 0 HB THR A 67 13.960 9.650 16.503 1.00 40.55 H new ATOM 0 HG1 THR A 67 15.725 10.213 14.430 1.00 51.53 H new ATOM 0 HG21 THR A 67 14.434 7.350 15.749 1.00 64.34 H new ATOM 0 HG22 THR A 67 12.782 7.856 15.320 1.00 64.34 H new ATOM 0 HG23 THR A 67 14.055 7.825 14.076 1.00 64.34 H new ATOM 1106 N LEU A 68 12.912 9.667 12.343 1.00 44.34 N ATOM 1107 CA LEU A 68 13.184 9.450 10.926 1.00 51.34 C ATOM 1108 C LEU A 68 12.089 10.068 10.061 1.00 31.03 C ATOM 1109 O LEU A 68 10.903 9.833 10.284 1.00 33.35 O ATOM 1110 CB LEU A 68 13.298 7.954 10.631 1.00 62.03 C ATOM 1111 CG LEU A 68 13.198 7.550 9.160 1.00 30.34 C ATOM 1112 CD1 LEU A 68 14.321 8.183 8.355 1.00 61.34 C ATOM 1113 CD2 LEU A 68 13.227 6.034 9.020 1.00 52.31 C ATOM 0 H LEU A 68 12.009 9.312 12.659 1.00 44.34 H new ATOM 0 HA LEU A 68 14.130 9.935 10.685 1.00 51.34 H new ATOM 0 HB2 LEU A 68 14.252 7.599 11.020 1.00 62.03 H new ATOM 0 HB3 LEU A 68 12.515 7.434 11.184 1.00 62.03 H new ATOM 0 HG LEU A 68 12.248 7.913 8.767 1.00 30.34 H new ATOM 0 HD11 LEU A 68 14.233 7.884 7.311 1.00 61.34 H new ATOM 0 HD12 LEU A 68 14.254 9.268 8.429 1.00 61.34 H new ATOM 0 HD13 LEU A 68 15.282 7.851 8.748 1.00 61.34 H new ATOM 0 HD21 LEU A 68 13.155 5.764 7.966 1.00 52.31 H new ATOM 0 HD22 LEU A 68 14.160 5.649 9.430 1.00 52.31 H new ATOM 0 HD23 LEU A 68 12.386 5.602 9.563 1.00 52.31 H new ATOM 1125 N ASN A 69 12.497 10.857 9.073 1.00 60.12 N ATOM 1126 CA ASN A 69 11.550 11.507 8.173 1.00 4.41 C ATOM 1127 C ASN A 69 11.838 11.137 6.721 1.00 22.13 C ATOM 1128 O ASN A 69 12.306 11.964 5.940 1.00 0.51 O ATOM 1129 CB ASN A 69 11.612 13.026 8.347 1.00 51.14 C ATOM 1130 CG ASN A 69 12.989 13.587 8.050 1.00 23.05 C ATOM 1131 OD1 ASN A 69 13.908 13.467 8.860 1.00 2.23 O ATOM 1132 ND2 ASN A 69 13.139 14.203 6.883 1.00 14.31 N ATOM 0 H ASN A 69 13.476 11.062 8.875 1.00 60.12 H new ATOM 0 HA ASN A 69 10.548 11.159 8.425 1.00 4.41 H new ATOM 0 HB2 ASN A 69 10.882 13.494 7.687 1.00 51.14 H new ATOM 0 HB3 ASN A 69 11.330 13.284 9.368 1.00 51.14 H new ATOM 0 HD21 ASN A 69 14.044 14.600 6.628 1.00 14.31 H new ATOM 0 HD22 ASN A 69 12.350 14.280 6.242 1.00 14.31 H new ATOM 1139 N ASN A 70 11.555 9.888 6.367 1.00 31.21 N ATOM 1140 CA ASN A 70 11.782 9.408 5.009 1.00 43.42 C ATOM 1141 C ASN A 70 10.462 9.085 4.318 1.00 74.45 C ATOM 1142 O ASN A 70 10.385 8.170 3.498 1.00 41.24 O ATOM 1143 CB ASN A 70 12.678 8.167 5.028 1.00 13.32 C ATOM 1144 CG ASN A 70 11.885 6.885 5.192 1.00 43.33 C ATOM 1145 OD1 ASN A 70 11.800 6.073 4.271 1.00 32.52 O ATOM 1146 ND2 ASN A 70 11.300 6.697 6.369 1.00 15.32 N ATOM 0 H ASN A 70 11.168 9.190 7.002 1.00 31.21 H new ATOM 0 HA ASN A 70 12.280 10.200 4.449 1.00 43.42 H new ATOM 0 HB2 ASN A 70 13.250 8.121 4.102 1.00 13.32 H new ATOM 0 HB3 ASN A 70 13.397 8.253 5.843 1.00 13.32 H new ATOM 0 HD21 ASN A 70 10.753 5.852 6.538 1.00 15.32 H new ATOM 0 HD22 ASN A 70 11.397 7.397 7.104 1.00 15.32 H new ATOM 1153 N CYS A 71 9.423 9.844 4.654 1.00 61.35 N ATOM 1154 CA CYS A 71 8.106 9.640 4.065 1.00 75.01 C ATOM 1155 C CYS A 71 7.517 10.962 3.579 1.00 21.44 C ATOM 1156 O CYS A 71 7.838 12.028 4.104 1.00 2.15 O ATOM 1157 CB CYS A 71 7.164 8.994 5.083 1.00 32.51 C ATOM 1158 SG CYS A 71 8.000 7.911 6.286 1.00 0.21 S ATOM 0 H CYS A 71 9.469 10.605 5.331 1.00 61.35 H new ATOM 0 HA CYS A 71 8.217 8.975 3.209 1.00 75.01 H new ATOM 0 HB2 CYS A 71 6.636 9.780 5.623 1.00 32.51 H new ATOM 0 HB3 CYS A 71 6.412 8.413 4.549 1.00 32.51 H new ATOM 1163 N HIS A 72 6.652 10.883 2.572 1.00 2.22 N ATOM 1164 CA HIS A 72 6.017 12.072 2.016 1.00 63.34 C ATOM 1165 C HIS A 72 4.499 11.919 1.996 1.00 62.40 C ATOM 1166 O HIS A 72 3.976 10.863 1.636 1.00 43.41 O ATOM 1167 CB HIS A 72 6.533 12.337 0.601 1.00 34.42 C ATOM 1168 CG HIS A 72 8.006 12.113 0.449 1.00 15.33 C ATOM 1169 ND1 HIS A 72 8.778 11.048 0.767 1.00 2.23 N flip ATOM 1170 CD2 HIS A 72 8.858 13.056 -0.086 1.00 1.22 C flip ATOM 1171 CE1 HIS A 72 10.069 11.363 0.422 1.00 41.14 C flip ATOM 1172 NE2 HIS A 72 10.090 12.580 -0.091 1.00 64.44 N flip ATOM 0 H HIS A 72 6.375 10.009 2.125 1.00 2.22 H new ATOM 0 HA HIS A 72 6.271 12.920 2.652 1.00 63.34 H new ATOM 0 HB2 HIS A 72 6.002 11.691 -0.098 1.00 34.42 H new ATOM 0 HB3 HIS A 72 6.300 13.365 0.325 1.00 34.42 H new ATOM 0 HD2 HIS A 72 8.564 14.031 -0.445 1.00 1.22 H new ATOM 0 HE1 HIS A 72 10.928 10.720 0.549 1.00 41.14 H new ATOM 0 HE2 HIS A 72 10.917 13.069 -0.433 1.00 64.44 H new ATOM 1181 N ARG A 73 3.797 12.977 2.386 1.00 15.41 N ATOM 1182 CA ARG A 73 2.340 12.960 2.415 1.00 75.24 C ATOM 1183 C ARG A 73 1.764 13.415 1.077 1.00 53.30 C ATOM 1184 O ARG A 73 2.191 14.426 0.518 1.00 24.35 O ATOM 1185 CB ARG A 73 1.819 13.857 3.539 1.00 44.31 C ATOM 1186 CG ARG A 73 0.331 13.701 3.805 1.00 30.33 C ATOM 1187 CD ARG A 73 -0.209 14.846 4.647 1.00 1.12 C ATOM 1188 NE ARG A 73 0.029 16.144 4.022 1.00 43.21 N ATOM 1189 CZ ARG A 73 -0.491 17.282 4.469 1.00 63.22 C ATOM 1190 NH1 ARG A 73 -1.274 17.280 5.538 1.00 54.01 N ATOM 1191 NH2 ARG A 73 -0.228 18.423 3.846 1.00 41.01 N ATOM 0 H ARG A 73 4.214 13.858 2.687 1.00 15.41 H new ATOM 0 HA ARG A 73 2.018 11.935 2.600 1.00 75.24 H new ATOM 0 HB2 ARG A 73 2.368 13.634 4.454 1.00 44.31 H new ATOM 0 HB3 ARG A 73 2.027 14.897 3.288 1.00 44.31 H new ATOM 0 HG2 ARG A 73 -0.206 13.660 2.858 1.00 30.33 H new ATOM 0 HG3 ARG A 73 0.149 12.755 4.316 1.00 30.33 H new ATOM 0 HD2 ARG A 73 -1.279 14.709 4.802 1.00 1.12 H new ATOM 0 HD3 ARG A 73 0.260 14.826 5.631 1.00 1.12 H new ATOM 0 HE ARG A 73 0.627 16.179 3.197 1.00 43.21 H new ATOM 0 HH11 ARG A 73 -1.478 16.404 6.019 1.00 54.01 H new ATOM 0 HH12 ARG A 73 -1.672 18.154 5.880 1.00 54.01 H new ATOM 0 HH21 ARG A 73 0.374 18.428 3.023 1.00 41.01 H new ATOM 0 HH22 ARG A 73 -0.628 19.296 4.190 1.00 41.01 H new ATOM 1205 N SER A 74 0.792 12.664 0.570 1.00 33.44 N ATOM 1206 CA SER A 74 0.161 12.988 -0.704 1.00 70.20 C ATOM 1207 C SER A 74 -0.324 14.434 -0.717 1.00 34.10 C ATOM 1208 O SER A 74 -0.947 14.900 0.238 1.00 51.33 O ATOM 1209 CB SER A 74 -1.012 12.042 -0.971 1.00 73.13 C ATOM 1210 OG SER A 74 -1.398 12.081 -2.334 1.00 61.32 O ATOM 0 H SER A 74 0.424 11.827 1.022 1.00 33.44 H new ATOM 0 HA SER A 74 0.904 12.865 -1.492 1.00 70.20 H new ATOM 0 HB2 SER A 74 -0.732 11.025 -0.698 1.00 73.13 H new ATOM 0 HB3 SER A 74 -1.858 12.320 -0.342 1.00 73.13 H new ATOM 0 HG SER A 74 -2.269 12.522 -2.415 1.00 61.32 H new ATOM 1216 N ARG A 75 -0.035 15.139 -1.806 1.00 11.13 N ATOM 1217 CA ARG A 75 -0.441 16.533 -1.945 1.00 24.04 C ATOM 1218 C ARG A 75 -1.941 16.640 -2.199 1.00 62.22 C ATOM 1219 O ARG A 75 -2.576 17.625 -1.823 1.00 14.51 O ATOM 1220 CB ARG A 75 0.331 17.199 -3.085 1.00 15.13 C ATOM 1221 CG ARG A 75 -0.192 16.839 -4.466 1.00 74.33 C ATOM 1222 CD ARG A 75 0.315 17.806 -5.524 1.00 45.04 C ATOM 1223 NE ARG A 75 -0.582 18.945 -5.700 1.00 64.44 N ATOM 1224 CZ ARG A 75 -1.647 18.925 -6.496 1.00 45.20 C ATOM 1225 NH1 ARG A 75 -1.944 17.831 -7.183 1.00 1.04 N ATOM 1226 NH2 ARG A 75 -2.415 20.001 -6.604 1.00 13.42 N ATOM 0 H ARG A 75 0.479 14.768 -2.605 1.00 11.13 H new ATOM 0 HA ARG A 75 -0.212 17.047 -1.012 1.00 24.04 H new ATOM 0 HB2 ARG A 75 0.286 18.281 -2.959 1.00 15.13 H new ATOM 0 HB3 ARG A 75 1.381 16.913 -3.017 1.00 15.13 H new ATOM 0 HG2 ARG A 75 0.117 15.825 -4.720 1.00 74.33 H new ATOM 0 HG3 ARG A 75 -1.282 16.847 -4.457 1.00 74.33 H new ATOM 0 HD2 ARG A 75 1.305 18.165 -5.243 1.00 45.04 H new ATOM 0 HD3 ARG A 75 0.424 17.281 -6.473 1.00 45.04 H new ATOM 0 HE ARG A 75 -0.381 19.802 -5.185 1.00 64.44 H new ATOM 0 HH11 ARG A 75 -1.355 17.002 -7.102 1.00 1.04 H new ATOM 0 HH12 ARG A 75 -2.761 17.818 -7.793 1.00 1.04 H new ATOM 0 HH21 ARG A 75 -2.189 20.844 -6.076 1.00 13.42 H new ATOM 0 HH22 ARG A 75 -3.232 19.985 -7.215 1.00 13.42 H new ATOM 1240 N PHE A 76 -2.501 15.621 -2.842 1.00 62.25 N ATOM 1241 CA PHE A 76 -3.926 15.601 -3.149 1.00 55.30 C ATOM 1242 C PHE A 76 -4.613 14.420 -2.469 1.00 50.13 C ATOM 1243 O PHE A 76 -3.965 13.441 -2.100 1.00 61.31 O ATOM 1244 CB PHE A 76 -4.143 15.529 -4.662 1.00 51.14 C ATOM 1245 CG PHE A 76 -3.657 14.248 -5.278 1.00 12.44 C ATOM 1246 CD1 PHE A 76 -2.301 13.978 -5.366 1.00 2.02 C ATOM 1247 CD2 PHE A 76 -4.556 13.315 -5.767 1.00 11.13 C ATOM 1248 CE1 PHE A 76 -1.850 12.800 -5.931 1.00 65.44 C ATOM 1249 CE2 PHE A 76 -4.111 12.135 -6.332 1.00 62.14 C ATOM 1250 CZ PHE A 76 -2.757 11.877 -6.417 1.00 4.53 C ATOM 0 H PHE A 76 -1.989 14.798 -3.161 1.00 62.25 H new ATOM 0 HA PHE A 76 -4.366 16.523 -2.769 1.00 55.30 H new ATOM 0 HB2 PHE A 76 -5.206 15.644 -4.874 1.00 51.14 H new ATOM 0 HB3 PHE A 76 -3.631 16.367 -5.135 1.00 51.14 H new ATOM 0 HD1 PHE A 76 -1.588 14.696 -4.989 1.00 2.02 H new ATOM 0 HD2 PHE A 76 -5.616 13.512 -5.706 1.00 11.13 H new ATOM 0 HE1 PHE A 76 -0.790 12.601 -5.993 1.00 65.44 H new ATOM 0 HE2 PHE A 76 -4.822 11.414 -6.707 1.00 62.14 H new ATOM 0 HZ PHE A 76 -2.408 10.957 -6.862 1.00 4.53 H new ATOM 1260 N ARG A 77 -5.928 14.521 -2.307 1.00 41.15 N ATOM 1261 CA ARG A 77 -6.703 13.463 -1.671 1.00 25.23 C ATOM 1262 C ARG A 77 -7.224 12.471 -2.707 1.00 60.30 C ATOM 1263 O ARG A 77 -7.828 12.862 -3.706 1.00 23.25 O ATOM 1264 CB ARG A 77 -7.873 14.059 -0.887 1.00 75.22 C ATOM 1265 CG ARG A 77 -7.443 14.960 0.259 1.00 40.31 C ATOM 1266 CD ARG A 77 -8.595 15.819 0.755 1.00 34.03 C ATOM 1267 NE ARG A 77 -8.893 16.918 -0.160 1.00 24.44 N ATOM 1268 CZ ARG A 77 -9.985 17.668 -0.078 1.00 15.03 C ATOM 1269 NH1 ARG A 77 -10.880 17.439 0.875 1.00 44.33 N ATOM 1270 NH2 ARG A 77 -10.185 18.649 -0.947 1.00 74.11 N ATOM 0 H ARG A 77 -6.479 15.325 -2.608 1.00 41.15 H new ATOM 0 HA ARG A 77 -6.046 12.931 -0.983 1.00 25.23 H new ATOM 0 HB2 ARG A 77 -8.503 14.629 -1.569 1.00 75.22 H new ATOM 0 HB3 ARG A 77 -8.484 13.248 -0.491 1.00 75.22 H new ATOM 0 HG2 ARG A 77 -7.063 14.351 1.079 1.00 40.31 H new ATOM 0 HG3 ARG A 77 -6.624 15.601 -0.068 1.00 40.31 H new ATOM 0 HD2 ARG A 77 -9.483 15.199 0.878 1.00 34.03 H new ATOM 0 HD3 ARG A 77 -8.350 16.222 1.738 1.00 34.03 H new ATOM 0 HE ARG A 77 -8.225 17.120 -0.903 1.00 24.44 H new ATOM 0 HH11 ARG A 77 -10.729 16.686 1.546 1.00 44.33 H new ATOM 0 HH12 ARG A 77 -11.719 18.016 0.936 1.00 44.33 H new ATOM 0 HH21 ARG A 77 -9.499 18.828 -1.680 1.00 74.11 H new ATOM 0 HH22 ARG A 77 -11.025 19.224 -0.882 1.00 74.11 H new ATOM 1284 N VAL A 78 -6.985 11.187 -2.462 1.00 64.05 N ATOM 1285 CA VAL A 78 -7.429 10.139 -3.373 1.00 63.43 C ATOM 1286 C VAL A 78 -8.280 9.104 -2.647 1.00 14.42 C ATOM 1287 O VAL A 78 -8.132 8.874 -1.447 1.00 61.31 O ATOM 1288 CB VAL A 78 -6.235 9.430 -4.039 1.00 4.01 C ATOM 1289 CG1 VAL A 78 -5.141 10.430 -4.381 1.00 34.12 C ATOM 1290 CG2 VAL A 78 -5.699 8.329 -3.135 1.00 50.34 C ATOM 0 H VAL A 78 -6.486 10.847 -1.640 1.00 64.05 H new ATOM 0 HA VAL A 78 -8.029 10.623 -4.143 1.00 63.43 H new ATOM 0 HB VAL A 78 -6.578 8.973 -4.967 1.00 4.01 H new ATOM 0 HG11 VAL A 78 -4.306 9.910 -4.851 1.00 34.12 H new ATOM 0 HG12 VAL A 78 -5.535 11.179 -5.068 1.00 34.12 H new ATOM 0 HG13 VAL A 78 -4.797 10.919 -3.470 1.00 34.12 H new ATOM 0 HG21 VAL A 78 -4.856 7.838 -3.620 1.00 50.34 H new ATOM 0 HG22 VAL A 78 -5.372 8.762 -2.190 1.00 50.34 H new ATOM 0 HG23 VAL A 78 -6.485 7.598 -2.947 1.00 50.34 H new ATOM 1300 N PRO A 79 -9.195 8.463 -3.391 1.00 22.24 N ATOM 1301 CA PRO A 79 -10.089 7.441 -2.838 1.00 64.51 C ATOM 1302 C PRO A 79 -9.346 6.160 -2.470 1.00 34.33 C ATOM 1303 O PRO A 79 -8.985 5.368 -3.341 1.00 43.52 O ATOM 1304 CB PRO A 79 -11.075 7.178 -3.978 1.00 63.12 C ATOM 1305 CG PRO A 79 -10.333 7.551 -5.215 1.00 51.41 C ATOM 1306 CD PRO A 79 -9.427 8.687 -4.827 1.00 24.23 C ATOM 0 HA PRO A 79 -10.563 7.771 -1.914 1.00 64.51 H new ATOM 0 HB2 PRO A 79 -11.383 6.133 -4.001 1.00 63.12 H new ATOM 0 HB3 PRO A 79 -11.980 7.775 -3.864 1.00 63.12 H new ATOM 0 HG2 PRO A 79 -9.759 6.706 -5.595 1.00 51.41 H new ATOM 0 HG3 PRO A 79 -11.020 7.852 -6.006 1.00 51.41 H new ATOM 0 HD2 PRO A 79 -8.495 8.669 -5.392 1.00 24.23 H new ATOM 0 HD3 PRO A 79 -9.894 9.654 -5.013 1.00 24.23 H new ATOM 1314 N LEU A 80 -9.124 5.962 -1.175 1.00 40.12 N ATOM 1315 CA LEU A 80 -8.426 4.776 -0.692 1.00 41.12 C ATOM 1316 C LEU A 80 -9.415 3.699 -0.260 1.00 13.43 C ATOM 1317 O LEU A 80 -10.626 3.926 -0.238 1.00 52.31 O ATOM 1318 CB LEU A 80 -7.509 5.141 0.477 1.00 62.14 C ATOM 1319 CG LEU A 80 -8.163 5.900 1.631 1.00 51.22 C ATOM 1320 CD1 LEU A 80 -9.523 5.305 1.959 1.00 34.51 C ATOM 1321 CD2 LEU A 80 -7.263 5.885 2.858 1.00 13.44 C ATOM 0 H LEU A 80 -9.417 6.607 -0.441 1.00 40.12 H new ATOM 0 HA LEU A 80 -7.823 4.382 -1.510 1.00 41.12 H new ATOM 0 HB2 LEU A 80 -7.075 4.223 0.872 1.00 62.14 H new ATOM 0 HB3 LEU A 80 -6.686 5.743 0.093 1.00 62.14 H new ATOM 0 HG LEU A 80 -8.307 6.936 1.323 1.00 51.22 H new ATOM 0 HD11 LEU A 80 -9.973 5.859 2.783 1.00 34.51 H new ATOM 0 HD12 LEU A 80 -10.169 5.369 1.083 1.00 34.51 H new ATOM 0 HD13 LEU A 80 -9.403 4.260 2.246 1.00 34.51 H new ATOM 0 HD21 LEU A 80 -7.745 6.430 3.669 1.00 13.44 H new ATOM 0 HD22 LEU A 80 -7.087 4.855 3.167 1.00 13.44 H new ATOM 0 HD23 LEU A 80 -6.312 6.359 2.617 1.00 13.44 H new ATOM 1333 N LEU A 81 -8.894 2.527 0.086 1.00 62.01 N ATOM 1334 CA LEU A 81 -9.732 1.415 0.519 1.00 4.55 C ATOM 1335 C LEU A 81 -9.163 0.765 1.777 1.00 22.31 C ATOM 1336 O LEU A 81 -7.960 0.519 1.873 1.00 30.11 O ATOM 1337 CB LEU A 81 -9.851 0.375 -0.595 1.00 55.44 C ATOM 1338 CG LEU A 81 -11.155 -0.424 -0.630 1.00 51.44 C ATOM 1339 CD1 LEU A 81 -11.399 -1.105 0.708 1.00 52.14 C ATOM 1340 CD2 LEU A 81 -12.325 0.478 -0.993 1.00 54.51 C ATOM 0 H LEU A 81 -7.895 2.322 0.075 1.00 62.01 H new ATOM 0 HA LEU A 81 -10.723 1.807 0.748 1.00 4.55 H new ATOM 0 HB2 LEU A 81 -9.733 0.882 -1.553 1.00 55.44 H new ATOM 0 HB3 LEU A 81 -9.021 -0.326 -0.501 1.00 55.44 H new ATOM 0 HG LEU A 81 -11.066 -1.194 -1.396 1.00 51.44 H new ATOM 0 HD11 LEU A 81 -12.331 -1.669 0.665 1.00 52.14 H new ATOM 0 HD12 LEU A 81 -10.574 -1.783 0.927 1.00 52.14 H new ATOM 0 HD13 LEU A 81 -11.467 -0.352 1.493 1.00 52.14 H new ATOM 0 HD21 LEU A 81 -13.244 -0.108 -1.013 1.00 54.51 H new ATOM 0 HD22 LEU A 81 -12.417 1.271 -0.251 1.00 54.51 H new ATOM 0 HD23 LEU A 81 -12.154 0.918 -1.975 1.00 54.51 H new ATOM 1352 N HIS A 82 -10.037 0.486 2.739 1.00 32.11 N ATOM 1353 CA HIS A 82 -9.624 -0.140 3.991 1.00 63.12 C ATOM 1354 C HIS A 82 -10.012 -1.615 4.016 1.00 42.21 C ATOM 1355 O HIS A 82 -11.133 -1.978 3.659 1.00 63.42 O ATOM 1356 CB HIS A 82 -10.252 0.586 5.181 1.00 73.43 C ATOM 1357 CG HIS A 82 -10.096 2.074 5.125 1.00 55.13 C ATOM 1358 ND1 HIS A 82 -11.053 2.949 5.596 1.00 43.10 N ATOM 1359 CD2 HIS A 82 -9.087 2.842 4.651 1.00 32.14 C ATOM 1360 CE1 HIS A 82 -10.638 4.191 5.413 1.00 24.03 C ATOM 1361 NE2 HIS A 82 -9.448 4.153 4.842 1.00 51.21 N ATOM 0 H HIS A 82 -11.036 0.683 2.676 1.00 32.11 H new ATOM 0 HA HIS A 82 -8.539 -0.068 4.063 1.00 63.12 H new ATOM 0 HB2 HIS A 82 -11.313 0.342 5.226 1.00 73.43 H new ATOM 0 HB3 HIS A 82 -9.800 0.216 6.101 1.00 73.43 H new ATOM 0 HD2 HIS A 82 -8.169 2.489 4.205 1.00 32.14 H new ATOM 0 HE1 HIS A 82 -11.180 5.085 5.684 1.00 24.03 H new ATOM 0 HE2 HIS A 82 -8.888 4.966 4.585 1.00 51.21 H new ATOM 1370 N CYS A 83 -9.079 -2.460 4.438 1.00 23.33 N ATOM 1371 CA CYS A 83 -9.322 -3.896 4.509 1.00 32.41 C ATOM 1372 C CYS A 83 -8.815 -4.470 5.829 1.00 63.44 C ATOM 1373 O CYS A 83 -7.797 -5.161 5.867 1.00 52.43 O ATOM 1374 CB CYS A 83 -8.644 -4.608 3.337 1.00 41.23 C ATOM 1375 SG CYS A 83 -9.698 -4.782 1.861 1.00 40.42 S ATOM 0 H CYS A 83 -8.146 -2.175 4.737 1.00 23.33 H new ATOM 0 HA CYS A 83 -10.398 -4.060 4.452 1.00 32.41 H new ATOM 0 HB2 CYS A 83 -7.743 -4.058 3.064 1.00 41.23 H new ATOM 0 HB3 CYS A 83 -8.327 -5.599 3.662 1.00 41.23 H new ATOM 1380 N ASP A 84 -9.533 -4.179 6.908 1.00 43.43 N ATOM 1381 CA ASP A 84 -9.156 -4.666 8.231 1.00 72.31 C ATOM 1382 C ASP A 84 -9.696 -6.074 8.464 1.00 61.01 C ATOM 1383 O ASP A 84 -10.838 -6.378 8.118 1.00 4.42 O ATOM 1384 CB ASP A 84 -9.678 -3.720 9.313 1.00 70.31 C ATOM 1385 CG ASP A 84 -9.471 -4.269 10.711 1.00 61.31 C ATOM 1386 OD1 ASP A 84 -8.734 -5.268 10.852 1.00 61.53 O ATOM 1387 OD2 ASP A 84 -10.045 -3.702 11.663 1.00 14.32 O ATOM 0 H ASP A 84 -10.379 -3.609 6.893 1.00 43.43 H new ATOM 0 HA ASP A 84 -8.068 -4.700 8.284 1.00 72.31 H new ATOM 0 HB2 ASP A 84 -9.173 -2.758 9.225 1.00 70.31 H new ATOM 0 HB3 ASP A 84 -10.740 -3.538 9.151 1.00 70.31 H new ATOM 1392 N LEU A 85 -8.866 -6.930 9.051 1.00 54.43 N ATOM 1393 CA LEU A 85 -9.259 -8.306 9.330 1.00 12.32 C ATOM 1394 C LEU A 85 -10.397 -8.353 10.345 1.00 4.35 C ATOM 1395 O LEU A 85 -10.220 -7.987 11.508 1.00 42.10 O ATOM 1396 CB LEU A 85 -8.062 -9.103 9.853 1.00 41.41 C ATOM 1397 CG LEU A 85 -8.155 -10.622 9.714 1.00 24.44 C ATOM 1398 CD1 LEU A 85 -7.842 -11.049 8.288 1.00 14.44 C ATOM 1399 CD2 LEU A 85 -7.215 -11.307 10.696 1.00 42.55 C ATOM 0 H LEU A 85 -7.917 -6.695 9.343 1.00 54.43 H new ATOM 0 HA LEU A 85 -9.608 -8.753 8.399 1.00 12.32 H new ATOM 0 HB2 LEU A 85 -7.168 -8.764 9.329 1.00 41.41 H new ATOM 0 HB3 LEU A 85 -7.923 -8.862 10.907 1.00 41.41 H new ATOM 0 HG LEU A 85 -9.176 -10.926 9.946 1.00 24.44 H new ATOM 0 HD11 LEU A 85 -7.913 -12.134 8.209 1.00 14.44 H new ATOM 0 HD12 LEU A 85 -8.556 -10.588 7.605 1.00 14.44 H new ATOM 0 HD13 LEU A 85 -6.832 -10.732 8.027 1.00 14.44 H new ATOM 0 HD21 LEU A 85 -7.295 -12.388 10.582 1.00 42.55 H new ATOM 0 HD22 LEU A 85 -6.190 -10.996 10.496 1.00 42.55 H new ATOM 0 HD23 LEU A 85 -7.486 -11.028 11.714 1.00 42.55 H new ATOM 1411 N ILE A 86 -11.562 -8.807 9.898 1.00 74.21 N ATOM 1412 CA ILE A 86 -12.728 -8.904 10.768 1.00 23.21 C ATOM 1413 C ILE A 86 -12.696 -10.189 11.589 1.00 1.42 C ATOM 1414 O ILE A 86 -13.699 -10.587 12.178 1.00 54.01 O ATOM 1415 CB ILE A 86 -14.038 -8.857 9.961 1.00 34.23 C ATOM 1416 CG1 ILE A 86 -14.054 -7.634 9.041 1.00 24.42 C ATOM 1417 CG2 ILE A 86 -15.238 -8.837 10.897 1.00 24.14 C ATOM 1418 CD1 ILE A 86 -15.120 -7.696 7.971 1.00 24.41 C ATOM 0 H ILE A 86 -11.724 -9.114 8.939 1.00 74.21 H new ATOM 0 HA ILE A 86 -12.693 -8.046 11.439 1.00 23.21 H new ATOM 0 HB ILE A 86 -14.098 -9.753 9.344 1.00 34.23 H new ATOM 0 HG12 ILE A 86 -14.207 -6.739 9.643 1.00 24.42 H new ATOM 0 HG13 ILE A 86 -13.078 -7.535 8.565 1.00 24.42 H new ATOM 0 HG21 ILE A 86 -16.156 -8.804 10.311 1.00 24.14 H new ATOM 0 HG22 ILE A 86 -15.234 -9.736 11.514 1.00 24.14 H new ATOM 0 HG23 ILE A 86 -15.185 -7.957 11.538 1.00 24.14 H new ATOM 0 HD11 ILE A 86 -15.072 -6.797 7.357 1.00 24.41 H new ATOM 0 HD12 ILE A 86 -14.956 -8.572 7.344 1.00 24.41 H new ATOM 0 HD13 ILE A 86 -16.102 -7.764 8.439 1.00 24.41 H new ATOM 1430 N ASN A 87 -11.533 -10.832 11.625 1.00 73.41 N ATOM 1431 CA ASN A 87 -11.368 -12.072 12.375 1.00 74.02 C ATOM 1432 C ASN A 87 -10.086 -12.042 13.201 1.00 74.53 C ATOM 1433 O ASN A 87 -9.034 -12.523 12.778 1.00 35.31 O ATOM 1434 CB ASN A 87 -11.347 -13.270 11.422 1.00 15.51 C ATOM 1435 CG ASN A 87 -10.812 -12.908 10.050 1.00 21.15 C ATOM 1436 OD1 ASN A 87 -9.525 -13.154 9.835 1.00 11.43 O flip ATOM 1437 ND2 ASN A 87 -11.547 -12.415 9.195 1.00 40.14 N flip ATOM 0 H ASN A 87 -10.691 -10.515 11.144 1.00 73.41 H new ATOM 0 HA ASN A 87 -12.214 -12.172 13.055 1.00 74.02 H new ATOM 0 HB2 ASN A 87 -10.733 -14.062 11.851 1.00 15.51 H new ATOM 0 HB3 ASN A 87 -12.356 -13.669 11.322 1.00 15.51 H new ATOM 0 HD21 ASN A 87 -12.530 -12.244 9.405 1.00 40.14 H new ATOM 0 HD22 ASN A 87 -11.173 -12.178 8.276 1.00 40.14 H new ATOM 1444 N PRO A 88 -10.173 -11.464 14.408 1.00 23.54 N ATOM 1445 CA PRO A 88 -9.030 -11.359 15.319 1.00 12.43 C ATOM 1446 C PRO A 88 -8.615 -12.711 15.888 1.00 25.24 C ATOM 1447 O PRO A 88 -9.410 -13.397 16.529 1.00 11.23 O ATOM 1448 CB PRO A 88 -9.548 -10.447 16.435 1.00 62.35 C ATOM 1449 CG PRO A 88 -11.027 -10.627 16.414 1.00 42.12 C ATOM 1450 CD PRO A 88 -11.395 -10.871 14.977 1.00 71.14 C ATOM 0 HA PRO A 88 -8.142 -10.978 14.815 1.00 12.43 H new ATOM 0 HB2 PRO A 88 -9.129 -10.726 17.402 1.00 62.35 H new ATOM 0 HB3 PRO A 88 -9.273 -9.407 16.257 1.00 62.35 H new ATOM 0 HG2 PRO A 88 -11.327 -11.466 17.041 1.00 42.12 H new ATOM 0 HG3 PRO A 88 -11.533 -9.743 16.802 1.00 42.12 H new ATOM 0 HD2 PRO A 88 -12.247 -11.545 14.889 1.00 71.14 H new ATOM 0 HD3 PRO A 88 -11.667 -9.946 14.469 1.00 71.14 H new ATOM 1458 N GLY A 89 -7.363 -13.090 15.649 1.00 62.35 N ATOM 1459 CA GLY A 89 -6.864 -14.360 16.145 1.00 72.45 C ATOM 1460 C GLY A 89 -6.721 -15.395 15.046 1.00 12.31 C ATOM 1461 O GLY A 89 -6.201 -16.486 15.277 1.00 4.41 O ATOM 0 H GLY A 89 -6.685 -12.540 15.121 1.00 62.35 H new ATOM 0 HA2 GLY A 89 -5.896 -14.205 16.623 1.00 72.45 H new ATOM 0 HA3 GLY A 89 -7.541 -14.739 16.911 1.00 72.45 H new ATOM 1465 N ALA A 90 -7.184 -15.054 13.849 1.00 41.53 N ATOM 1466 CA ALA A 90 -7.104 -15.960 12.711 1.00 21.44 C ATOM 1467 C ALA A 90 -5.845 -15.704 11.891 1.00 13.12 C ATOM 1468 O ALA A 90 -5.416 -14.560 11.738 1.00 31.35 O ATOM 1469 CB ALA A 90 -8.343 -15.823 11.838 1.00 61.31 C ATOM 0 H ALA A 90 -7.619 -14.155 13.642 1.00 41.53 H new ATOM 0 HA ALA A 90 -7.054 -16.979 13.094 1.00 21.44 H new ATOM 0 HB1 ALA A 90 -8.269 -16.506 10.992 1.00 61.31 H new ATOM 0 HB2 ALA A 90 -9.230 -16.066 12.424 1.00 61.31 H new ATOM 0 HB3 ALA A 90 -8.419 -14.799 11.472 1.00 61.31 H new ATOM 1475 N GLN A 91 -5.256 -16.774 11.367 1.00 74.34 N ATOM 1476 CA GLN A 91 -4.046 -16.663 10.563 1.00 43.04 C ATOM 1477 C GLN A 91 -4.152 -17.508 9.298 1.00 40.43 C ATOM 1478 O GLN A 91 -3.463 -18.517 9.154 1.00 32.03 O ATOM 1479 CB GLN A 91 -2.826 -17.095 11.379 1.00 70.14 C ATOM 1480 CG GLN A 91 -2.380 -16.062 12.401 1.00 70.11 C ATOM 1481 CD GLN A 91 -1.463 -16.645 13.458 1.00 22.53 C ATOM 1482 OE1 GLN A 91 -1.537 -17.833 13.774 1.00 10.52 O ATOM 1483 NE2 GLN A 91 -0.590 -15.810 14.010 1.00 32.45 N ATOM 0 H GLN A 91 -5.598 -17.728 11.485 1.00 74.34 H new ATOM 0 HA GLN A 91 -3.929 -15.619 10.271 1.00 43.04 H new ATOM 0 HB2 GLN A 91 -3.056 -18.028 11.894 1.00 70.14 H new ATOM 0 HB3 GLN A 91 -1.999 -17.302 10.699 1.00 70.14 H new ATOM 0 HG2 GLN A 91 -1.867 -15.248 11.889 1.00 70.11 H new ATOM 0 HG3 GLN A 91 -3.257 -15.632 12.884 1.00 70.11 H new ATOM 0 HE21 GLN A 91 -0.564 -14.833 13.718 1.00 32.45 H new ATOM 0 HE22 GLN A 91 0.054 -16.146 14.726 1.00 32.45 H new ATOM 1492 N ASN A 92 -5.019 -17.087 8.383 1.00 60.50 N ATOM 1493 CA ASN A 92 -5.216 -17.807 7.129 1.00 32.14 C ATOM 1494 C ASN A 92 -6.051 -16.983 6.154 1.00 51.31 C ATOM 1495 O ASN A 92 -7.264 -16.851 6.318 1.00 2.51 O ATOM 1496 CB ASN A 92 -5.897 -19.152 7.390 1.00 4.13 C ATOM 1497 CG ASN A 92 -7.164 -19.009 8.211 1.00 1.43 C ATOM 1498 OD1 ASN A 92 -7.587 -17.897 8.532 1.00 23.43 O ATOM 1499 ND2 ASN A 92 -7.775 -20.135 8.557 1.00 73.42 N ATOM 0 H ASN A 92 -5.596 -16.252 8.486 1.00 60.50 H new ATOM 0 HA ASN A 92 -4.237 -17.983 6.683 1.00 32.14 H new ATOM 0 HB2 ASN A 92 -6.136 -19.626 6.438 1.00 4.13 H new ATOM 0 HB3 ASN A 92 -5.203 -19.813 7.910 1.00 4.13 H new ATOM 0 HD21 ASN A 92 -8.631 -20.101 9.111 1.00 73.42 H new ATOM 0 HD22 ASN A 92 -7.389 -21.034 8.269 1.00 73.42 H new ATOM 1506 N ILE A 93 -5.393 -16.430 5.140 1.00 33.32 N ATOM 1507 CA ILE A 93 -6.075 -15.620 4.138 1.00 2.03 C ATOM 1508 C ILE A 93 -7.239 -16.383 3.514 1.00 0.52 C ATOM 1509 O ILE A 93 -8.137 -15.786 2.920 1.00 31.24 O ATOM 1510 CB ILE A 93 -5.111 -15.175 3.023 1.00 2.10 C ATOM 1511 CG1 ILE A 93 -4.371 -16.384 2.446 1.00 4.33 C ATOM 1512 CG2 ILE A 93 -4.124 -14.147 3.555 1.00 20.12 C ATOM 1513 CD1 ILE A 93 -3.557 -16.062 1.213 1.00 61.52 C ATOM 0 H ILE A 93 -4.389 -16.528 4.991 1.00 33.32 H new ATOM 0 HA ILE A 93 -6.456 -14.737 4.651 1.00 2.03 H new ATOM 0 HB ILE A 93 -5.691 -14.713 2.224 1.00 2.10 H new ATOM 0 HG12 ILE A 93 -3.711 -16.794 3.210 1.00 4.33 H new ATOM 0 HG13 ILE A 93 -5.096 -17.160 2.200 1.00 4.33 H new ATOM 0 HG21 ILE A 93 -3.449 -13.842 2.755 1.00 20.12 H new ATOM 0 HG22 ILE A 93 -4.668 -13.277 3.922 1.00 20.12 H new ATOM 0 HG23 ILE A 93 -3.547 -14.584 4.370 1.00 20.12 H new ATOM 0 HD11 ILE A 93 -3.060 -16.965 0.859 1.00 61.52 H new ATOM 0 HD12 ILE A 93 -4.215 -15.680 0.432 1.00 61.52 H new ATOM 0 HD13 ILE A 93 -2.808 -15.308 1.458 1.00 61.52 H new ATOM 1525 N SER A 94 -7.217 -17.704 3.656 1.00 71.22 N ATOM 1526 CA SER A 94 -8.270 -18.549 3.105 1.00 74.31 C ATOM 1527 C SER A 94 -9.535 -18.462 3.952 1.00 14.13 C ATOM 1528 O SER A 94 -10.642 -18.679 3.459 1.00 14.32 O ATOM 1529 CB SER A 94 -7.797 -20.001 3.021 1.00 24.32 C ATOM 1530 OG SER A 94 -6.704 -20.131 2.129 1.00 51.10 O ATOM 0 H SER A 94 -6.482 -18.212 4.148 1.00 71.22 H new ATOM 0 HA SER A 94 -8.501 -18.192 2.101 1.00 74.31 H new ATOM 0 HB2 SER A 94 -7.505 -20.349 4.012 1.00 24.32 H new ATOM 0 HB3 SER A 94 -8.619 -20.636 2.689 1.00 24.32 H new ATOM 0 HG SER A 94 -6.420 -21.068 2.095 1.00 51.10 H new ATOM 1536 N ASN A 95 -9.363 -18.145 5.231 1.00 55.32 N ATOM 1537 CA ASN A 95 -10.491 -18.029 6.149 1.00 72.54 C ATOM 1538 C ASN A 95 -10.492 -16.670 6.841 1.00 14.54 C ATOM 1539 O ASN A 95 -11.366 -16.378 7.658 1.00 14.23 O ATOM 1540 CB ASN A 95 -10.441 -19.146 7.193 1.00 63.42 C ATOM 1541 CG ASN A 95 -11.770 -19.340 7.896 1.00 72.42 C ATOM 1542 OD1 ASN A 95 -11.832 -19.405 9.124 1.00 11.43 O ATOM 1543 ND2 ASN A 95 -12.843 -19.435 7.118 1.00 42.42 N ATOM 0 H ASN A 95 -8.453 -17.964 5.656 1.00 55.32 H new ATOM 0 HA ASN A 95 -11.410 -18.122 5.570 1.00 72.54 H new ATOM 0 HB2 ASN A 95 -10.149 -20.078 6.710 1.00 63.42 H new ATOM 0 HB3 ASN A 95 -9.673 -18.916 7.931 1.00 63.42 H new ATOM 0 HD21 ASN A 95 -13.765 -19.567 7.534 1.00 42.42 H new ATOM 0 HD22 ASN A 95 -12.745 -19.376 6.104 1.00 42.42 H new ATOM 1550 N CYS A 96 -9.508 -15.841 6.509 1.00 24.51 N ATOM 1551 CA CYS A 96 -9.394 -14.513 7.098 1.00 44.00 C ATOM 1552 C CYS A 96 -10.211 -13.496 6.307 1.00 35.25 C ATOM 1553 O CYS A 96 -9.813 -13.072 5.222 1.00 12.23 O ATOM 1554 CB CYS A 96 -7.928 -14.077 7.146 1.00 32.34 C ATOM 1555 SG CYS A 96 -7.121 -14.361 8.756 1.00 73.14 S ATOM 0 H CYS A 96 -8.777 -16.066 5.834 1.00 24.51 H new ATOM 0 HA CYS A 96 -9.786 -14.559 8.114 1.00 44.00 H new ATOM 0 HB2 CYS A 96 -7.375 -14.613 6.375 1.00 32.34 H new ATOM 0 HB3 CYS A 96 -7.867 -13.016 6.903 1.00 32.34 H new ATOM 1560 N ARG A 97 -11.357 -13.108 6.859 1.00 34.22 N ATOM 1561 CA ARG A 97 -12.232 -12.142 6.205 1.00 43.13 C ATOM 1562 C ARG A 97 -11.695 -10.723 6.373 1.00 64.45 C ATOM 1563 O ARG A 97 -10.970 -10.430 7.324 1.00 65.52 O ATOM 1564 CB ARG A 97 -13.647 -12.234 6.778 1.00 41.33 C ATOM 1565 CG ARG A 97 -14.236 -13.634 6.725 1.00 72.22 C ATOM 1566 CD ARG A 97 -15.494 -13.742 7.572 1.00 71.42 C ATOM 1567 NE ARG A 97 -15.761 -15.119 7.983 1.00 54.33 N ATOM 1568 CZ ARG A 97 -16.524 -15.440 9.022 1.00 44.13 C ATOM 1569 NH1 ARG A 97 -17.092 -14.490 9.751 1.00 4.43 N ATOM 1570 NH2 ARG A 97 -16.719 -16.715 9.333 1.00 13.23 N ATOM 0 H ARG A 97 -11.701 -13.448 7.757 1.00 34.22 H new ATOM 0 HA ARG A 97 -12.262 -12.378 5.141 1.00 43.13 H new ATOM 0 HB2 ARG A 97 -13.633 -11.894 7.813 1.00 41.33 H new ATOM 0 HB3 ARG A 97 -14.298 -11.554 6.228 1.00 41.33 H new ATOM 0 HG2 ARG A 97 -14.468 -13.893 5.692 1.00 72.22 H new ATOM 0 HG3 ARG A 97 -13.497 -14.354 7.076 1.00 72.22 H new ATOM 0 HD2 ARG A 97 -15.391 -13.113 8.456 1.00 71.42 H new ATOM 0 HD3 ARG A 97 -16.345 -13.361 7.008 1.00 71.42 H new ATOM 0 HE ARG A 97 -15.339 -15.874 7.443 1.00 54.33 H new ATOM 0 HH11 ARG A 97 -16.944 -13.509 9.515 1.00 4.43 H new ATOM 0 HH12 ARG A 97 -17.677 -14.740 10.548 1.00 4.43 H new ATOM 0 HH21 ARG A 97 -16.283 -17.449 8.774 1.00 13.23 H new ATOM 0 HH22 ARG A 97 -17.305 -16.962 10.131 1.00 13.23 H new ATOM 1584 N TYR A 98 -12.055 -9.846 5.441 1.00 20.52 N ATOM 1585 CA TYR A 98 -11.608 -8.460 5.484 1.00 52.12 C ATOM 1586 C TYR A 98 -12.795 -7.502 5.421 1.00 31.35 C ATOM 1587 O TYR A 98 -13.789 -7.772 4.749 1.00 34.32 O ATOM 1588 CB TYR A 98 -10.649 -8.176 4.327 1.00 51.24 C ATOM 1589 CG TYR A 98 -9.295 -8.829 4.489 1.00 21.30 C ATOM 1590 CD1 TYR A 98 -8.394 -8.376 5.444 1.00 44.21 C ATOM 1591 CD2 TYR A 98 -8.917 -9.898 3.686 1.00 24.12 C ATOM 1592 CE1 TYR A 98 -7.155 -8.969 5.596 1.00 50.12 C ATOM 1593 CE2 TYR A 98 -7.680 -10.497 3.831 1.00 30.52 C ATOM 1594 CZ TYR A 98 -6.803 -10.030 4.788 1.00 62.02 C ATOM 1595 OH TYR A 98 -5.570 -10.624 4.934 1.00 54.22 O ATOM 0 H TYR A 98 -12.655 -10.071 4.647 1.00 20.52 H new ATOM 0 HA TYR A 98 -11.086 -8.302 6.428 1.00 52.12 H new ATOM 0 HB2 TYR A 98 -11.101 -8.522 3.398 1.00 51.24 H new ATOM 0 HB3 TYR A 98 -10.515 -7.098 4.234 1.00 51.24 H new ATOM 0 HD1 TYR A 98 -8.666 -7.546 6.079 1.00 44.21 H new ATOM 0 HD2 TYR A 98 -9.601 -10.267 2.936 1.00 24.12 H new ATOM 0 HE1 TYR A 98 -6.466 -8.604 6.343 1.00 50.12 H new ATOM 0 HE2 TYR A 98 -7.401 -11.327 3.198 1.00 30.52 H new ATOM 0 HH TYR A 98 -5.278 -10.547 5.866 1.00 54.22 H new ATOM 1605 N ALA A 99 -12.681 -6.384 6.129 1.00 51.35 N ATOM 1606 CA ALA A 99 -13.742 -5.384 6.153 1.00 51.34 C ATOM 1607 C ALA A 99 -13.490 -4.291 5.120 1.00 4.44 C ATOM 1608 O ALA A 99 -12.439 -3.649 5.126 1.00 52.53 O ATOM 1609 CB ALA A 99 -13.866 -4.780 7.544 1.00 12.13 C ATOM 0 H ALA A 99 -11.865 -6.147 6.694 1.00 51.35 H new ATOM 0 HA ALA A 99 -14.679 -5.878 5.898 1.00 51.34 H new ATOM 0 HB1 ALA A 99 -14.662 -4.035 7.548 1.00 12.13 H new ATOM 0 HB2 ALA A 99 -14.101 -5.566 8.262 1.00 12.13 H new ATOM 0 HB3 ALA A 99 -12.924 -4.306 7.820 1.00 12.13 H new ATOM 1615 N ASP A 100 -14.459 -4.084 4.235 1.00 21.15 N ATOM 1616 CA ASP A 100 -14.342 -3.068 3.196 1.00 32.01 C ATOM 1617 C ASP A 100 -14.873 -1.725 3.688 1.00 74.45 C ATOM 1618 O ASP A 100 -15.983 -1.641 4.213 1.00 53.42 O ATOM 1619 CB ASP A 100 -15.100 -3.502 1.941 1.00 20.32 C ATOM 1620 CG ASP A 100 -14.978 -4.990 1.677 1.00 70.35 C ATOM 1621 OD1 ASP A 100 -13.969 -5.589 2.107 1.00 73.04 O ATOM 1622 OD2 ASP A 100 -15.891 -5.556 1.041 1.00 74.12 O ATOM 0 H ASP A 100 -15.335 -4.607 4.217 1.00 21.15 H new ATOM 0 HA ASP A 100 -13.286 -2.953 2.951 1.00 32.01 H new ATOM 0 HB2 ASP A 100 -16.153 -3.240 2.047 1.00 20.32 H new ATOM 0 HB3 ASP A 100 -14.719 -2.951 1.081 1.00 20.32 H new ATOM 1627 N ARG A 101 -14.074 -0.678 3.513 1.00 65.01 N ATOM 1628 CA ARG A 101 -14.462 0.660 3.941 1.00 13.01 C ATOM 1629 C ARG A 101 -13.826 1.722 3.049 1.00 32.41 C ATOM 1630 O ARG A 101 -12.633 2.013 3.141 1.00 13.24 O ATOM 1631 CB ARG A 101 -14.055 0.892 5.398 1.00 71.53 C ATOM 1632 CG ARG A 101 -14.977 1.843 6.143 1.00 32.42 C ATOM 1633 CD ARG A 101 -16.295 1.174 6.502 1.00 40.03 C ATOM 1634 NE ARG A 101 -17.071 1.967 7.451 1.00 41.52 N ATOM 1635 CZ ARG A 101 -18.351 1.743 7.723 1.00 33.22 C ATOM 1636 NH1 ARG A 101 -18.997 0.754 7.122 1.00 21.43 N ATOM 1637 NH2 ARG A 101 -18.989 2.508 8.600 1.00 55.32 N ATOM 0 H ARG A 101 -13.153 -0.731 3.077 1.00 65.01 H new ATOM 0 HA ARG A 101 -15.546 0.740 3.857 1.00 13.01 H new ATOM 0 HB2 ARG A 101 -14.037 -0.066 5.918 1.00 71.53 H new ATOM 0 HB3 ARG A 101 -13.040 1.288 5.424 1.00 71.53 H new ATOM 0 HG2 ARG A 101 -14.485 2.191 7.051 1.00 32.42 H new ATOM 0 HG3 ARG A 101 -15.169 2.722 5.528 1.00 32.42 H new ATOM 0 HD2 ARG A 101 -16.881 1.018 5.596 1.00 40.03 H new ATOM 0 HD3 ARG A 101 -16.098 0.190 6.928 1.00 40.03 H new ATOM 0 HE ARG A 101 -16.604 2.736 7.932 1.00 41.52 H new ATOM 0 HH11 ARG A 101 -18.511 0.162 6.448 1.00 21.43 H new ATOM 0 HH12 ARG A 101 -19.980 0.585 7.333 1.00 21.43 H new ATOM 0 HH21 ARG A 101 -18.496 3.269 9.066 1.00 55.32 H new ATOM 0 HH22 ARG A 101 -19.972 2.334 8.808 1.00 55.32 H new ATOM 1651 N PRO A 102 -14.639 2.315 2.163 1.00 74.44 N ATOM 1652 CA PRO A 102 -14.178 3.354 1.237 1.00 74.33 C ATOM 1653 C PRO A 102 -13.843 4.659 1.950 1.00 34.13 C ATOM 1654 O PRO A 102 -14.471 5.012 2.948 1.00 32.10 O ATOM 1655 CB PRO A 102 -15.373 3.549 0.300 1.00 52.35 C ATOM 1656 CG PRO A 102 -16.555 3.123 1.099 1.00 53.04 C ATOM 1657 CD PRO A 102 -16.072 2.018 1.997 1.00 54.45 C ATOM 0 HA PRO A 102 -13.260 3.066 0.726 1.00 74.33 H new ATOM 0 HB2 PRO A 102 -15.463 4.588 -0.016 1.00 52.35 H new ATOM 0 HB3 PRO A 102 -15.269 2.949 -0.604 1.00 52.35 H new ATOM 0 HG2 PRO A 102 -16.952 3.954 1.682 1.00 53.04 H new ATOM 0 HG3 PRO A 102 -17.359 2.775 0.451 1.00 53.04 H new ATOM 0 HD2 PRO A 102 -16.596 2.019 2.953 1.00 54.45 H new ATOM 0 HD3 PRO A 102 -16.230 1.037 1.548 1.00 54.45 H new ATOM 1665 N GLY A 103 -12.848 5.373 1.433 1.00 72.03 N ATOM 1666 CA GLY A 103 -12.447 6.632 2.033 1.00 71.32 C ATOM 1667 C GLY A 103 -11.658 7.505 1.078 1.00 73.24 C ATOM 1668 O GLY A 103 -11.293 7.069 -0.014 1.00 52.25 O ATOM 0 H GLY A 103 -12.312 5.102 0.609 1.00 72.03 H new ATOM 0 HA2 GLY A 103 -13.334 7.172 2.365 1.00 71.32 H new ATOM 0 HA3 GLY A 103 -11.845 6.433 2.920 1.00 71.32 H new ATOM 1672 N ARG A 104 -11.397 8.742 1.487 1.00 1.21 N ATOM 1673 CA ARG A 104 -10.650 9.680 0.658 1.00 61.35 C ATOM 1674 C ARG A 104 -9.718 10.536 1.510 1.00 74.23 C ATOM 1675 O ARG A 104 -10.168 11.409 2.253 1.00 40.13 O ATOM 1676 CB ARG A 104 -11.610 10.577 -0.126 1.00 64.43 C ATOM 1677 CG ARG A 104 -10.910 11.529 -1.083 1.00 2.14 C ATOM 1678 CD ARG A 104 -11.908 12.388 -1.843 1.00 65.34 C ATOM 1679 NE ARG A 104 -11.381 12.827 -3.132 1.00 44.23 N ATOM 1680 CZ ARG A 104 -11.433 12.091 -4.237 1.00 60.23 C ATOM 1681 NH1 ARG A 104 -11.986 10.886 -4.210 1.00 55.31 N ATOM 1682 NH2 ARG A 104 -10.931 12.560 -5.373 1.00 4.12 N ATOM 0 H ARG A 104 -11.692 9.118 2.388 1.00 1.21 H new ATOM 0 HA ARG A 104 -10.046 9.105 -0.044 1.00 61.35 H new ATOM 0 HB2 ARG A 104 -12.300 9.950 -0.691 1.00 64.43 H new ATOM 0 HB3 ARG A 104 -12.208 11.157 0.577 1.00 64.43 H new ATOM 0 HG2 ARG A 104 -10.227 12.170 -0.526 1.00 2.14 H new ATOM 0 HG3 ARG A 104 -10.307 10.958 -1.789 1.00 2.14 H new ATOM 0 HD2 ARG A 104 -12.827 11.823 -2.000 1.00 65.34 H new ATOM 0 HD3 ARG A 104 -12.168 13.259 -1.242 1.00 65.34 H new ATOM 0 HE ARG A 104 -10.949 13.749 -3.187 1.00 44.23 H new ATOM 0 HH11 ARG A 104 -12.373 10.522 -3.339 1.00 55.31 H new ATOM 0 HH12 ARG A 104 -12.024 10.323 -5.060 1.00 55.31 H new ATOM 0 HH21 ARG A 104 -10.505 13.486 -5.398 1.00 4.12 H new ATOM 0 HH22 ARG A 104 -10.972 11.994 -6.221 1.00 4.12 H new ATOM 1696 N ARG A 105 -8.419 10.279 1.398 1.00 50.05 N ATOM 1697 CA ARG A 105 -7.425 11.025 2.159 1.00 42.53 C ATOM 1698 C ARG A 105 -6.027 10.813 1.584 1.00 74.44 C ATOM 1699 O ARG A 105 -5.859 10.131 0.572 1.00 43.34 O ATOM 1700 CB ARG A 105 -7.452 10.601 3.628 1.00 2.42 C ATOM 1701 CG ARG A 105 -8.631 11.167 4.404 1.00 60.44 C ATOM 1702 CD ARG A 105 -8.348 11.206 5.897 1.00 1.24 C ATOM 1703 NE ARG A 105 -9.470 11.756 6.653 1.00 12.23 N ATOM 1704 CZ ARG A 105 -10.533 11.046 7.012 1.00 33.32 C ATOM 1705 NH1 ARG A 105 -10.618 9.763 6.687 1.00 31.34 N ATOM 1706 NH2 ARG A 105 -11.514 11.617 7.699 1.00 10.32 N ATOM 0 H ARG A 105 -8.031 9.560 0.788 1.00 50.05 H new ATOM 0 HA ARG A 105 -7.672 12.084 2.089 1.00 42.53 H new ATOM 0 HB2 ARG A 105 -7.481 9.513 3.683 1.00 2.42 H new ATOM 0 HB3 ARG A 105 -6.526 10.920 4.107 1.00 2.42 H new ATOM 0 HG2 ARG A 105 -8.853 12.173 4.048 1.00 60.44 H new ATOM 0 HG3 ARG A 105 -9.517 10.560 4.216 1.00 60.44 H new ATOM 0 HD2 ARG A 105 -8.132 10.198 6.251 1.00 1.24 H new ATOM 0 HD3 ARG A 105 -7.457 11.807 6.081 1.00 1.24 H new ATOM 0 HE ARG A 105 -9.435 12.740 6.920 1.00 12.23 H new ATOM 0 HH11 ARG A 105 -9.866 9.319 6.160 1.00 31.34 H new ATOM 0 HH12 ARG A 105 -11.436 9.220 6.964 1.00 31.34 H new ATOM 0 HH21 ARG A 105 -11.452 12.603 7.952 1.00 10.32 H new ATOM 0 HH22 ARG A 105 -12.330 11.070 7.974 1.00 10.32 H new ATOM 1720 N PHE A 106 -5.029 11.401 2.234 1.00 13.10 N ATOM 1721 CA PHE A 106 -3.646 11.277 1.787 1.00 74.55 C ATOM 1722 C PHE A 106 -3.043 9.953 2.244 1.00 72.23 C ATOM 1723 O PHE A 106 -3.698 9.160 2.921 1.00 15.43 O ATOM 1724 CB PHE A 106 -2.810 12.443 2.317 1.00 12.33 C ATOM 1725 CG PHE A 106 -3.489 13.777 2.189 1.00 30.44 C ATOM 1726 CD1 PHE A 106 -3.611 14.391 0.954 1.00 63.51 C ATOM 1727 CD2 PHE A 106 -4.007 14.415 3.304 1.00 13.25 C ATOM 1728 CE1 PHE A 106 -4.236 15.618 0.832 1.00 14.05 C ATOM 1729 CE2 PHE A 106 -4.634 15.641 3.189 1.00 10.30 C ATOM 1730 CZ PHE A 106 -4.747 16.244 1.952 1.00 72.32 C ATOM 0 H PHE A 106 -5.152 11.969 3.073 1.00 13.10 H new ATOM 0 HA PHE A 106 -3.639 11.301 0.697 1.00 74.55 H new ATOM 0 HB2 PHE A 106 -2.575 12.263 3.366 1.00 12.33 H new ATOM 0 HB3 PHE A 106 -1.862 12.474 1.779 1.00 12.33 H new ATOM 0 HD1 PHE A 106 -3.213 13.905 0.075 1.00 63.51 H new ATOM 0 HD2 PHE A 106 -3.920 13.949 4.274 1.00 13.25 H new ATOM 0 HE1 PHE A 106 -4.325 16.086 -0.137 1.00 14.05 H new ATOM 0 HE2 PHE A 106 -5.035 16.127 4.066 1.00 10.30 H new ATOM 0 HZ PHE A 106 -5.234 17.204 1.860 1.00 72.32 H new ATOM 1740 N TYR A 107 -1.790 9.719 1.869 1.00 73.03 N ATOM 1741 CA TYR A 107 -1.098 8.490 2.238 1.00 73.22 C ATOM 1742 C TYR A 107 0.401 8.733 2.385 1.00 74.51 C ATOM 1743 O TYR A 107 1.013 9.426 1.573 1.00 61.22 O ATOM 1744 CB TYR A 107 -1.350 7.404 1.190 1.00 12.12 C ATOM 1745 CG TYR A 107 -1.237 7.900 -0.235 1.00 25.23 C ATOM 1746 CD1 TYR A 107 0.004 8.069 -0.834 1.00 63.43 C ATOM 1747 CD2 TYR A 107 -2.371 8.198 -0.979 1.00 15.20 C ATOM 1748 CE1 TYR A 107 0.113 8.521 -2.135 1.00 64.25 C ATOM 1749 CE2 TYR A 107 -2.272 8.650 -2.281 1.00 42.03 C ATOM 1750 CZ TYR A 107 -1.028 8.810 -2.855 1.00 40.52 C ATOM 1751 OH TYR A 107 -0.926 9.261 -4.151 1.00 5.25 O ATOM 0 H TYR A 107 -1.233 10.365 1.309 1.00 73.03 H new ATOM 0 HA TYR A 107 -1.490 8.156 3.199 1.00 73.22 H new ATOM 0 HB2 TYR A 107 -0.638 6.593 1.341 1.00 12.12 H new ATOM 0 HB3 TYR A 107 -2.345 6.987 1.343 1.00 12.12 H new ATOM 0 HD1 TYR A 107 0.899 7.843 -0.274 1.00 63.43 H new ATOM 0 HD2 TYR A 107 -3.347 8.074 -0.533 1.00 15.20 H new ATOM 0 HE1 TYR A 107 1.086 8.647 -2.586 1.00 64.25 H new ATOM 0 HE2 TYR A 107 -3.164 8.877 -2.846 1.00 42.03 H new ATOM 0 HH TYR A 107 -1.823 9.416 -4.515 1.00 5.25 H new ATOM 1761 N VAL A 108 0.987 8.155 3.429 1.00 63.32 N ATOM 1762 CA VAL A 108 2.414 8.305 3.683 1.00 0.44 C ATOM 1763 C VAL A 108 3.193 7.094 3.181 1.00 1.25 C ATOM 1764 O VAL A 108 3.168 6.028 3.796 1.00 71.11 O ATOM 1765 CB VAL A 108 2.699 8.497 5.185 1.00 52.22 C ATOM 1766 CG1 VAL A 108 4.193 8.423 5.459 1.00 4.13 C ATOM 1767 CG2 VAL A 108 2.126 9.820 5.671 1.00 61.04 C ATOM 0 H VAL A 108 0.495 7.579 4.112 1.00 63.32 H new ATOM 0 HA VAL A 108 2.740 9.193 3.141 1.00 0.44 H new ATOM 0 HB VAL A 108 2.212 7.691 5.735 1.00 52.22 H new ATOM 0 HG11 VAL A 108 4.375 8.561 6.525 1.00 4.13 H new ATOM 0 HG12 VAL A 108 4.572 7.449 5.149 1.00 4.13 H new ATOM 0 HG13 VAL A 108 4.705 9.206 4.900 1.00 4.13 H new ATOM 0 HG21 VAL A 108 2.336 9.939 6.734 1.00 61.04 H new ATOM 0 HG22 VAL A 108 2.583 10.640 5.117 1.00 61.04 H new ATOM 0 HG23 VAL A 108 1.048 9.830 5.511 1.00 61.04 H new ATOM 1777 N VAL A 109 3.885 7.267 2.060 1.00 23.41 N ATOM 1778 CA VAL A 109 4.673 6.189 1.475 1.00 62.52 C ATOM 1779 C VAL A 109 6.164 6.505 1.528 1.00 1.11 C ATOM 1780 O VAL A 109 6.598 7.570 1.090 1.00 4.03 O ATOM 1781 CB VAL A 109 4.267 5.926 0.013 1.00 61.14 C ATOM 1782 CG1 VAL A 109 2.798 6.255 -0.201 1.00 74.24 C ATOM 1783 CG2 VAL A 109 5.145 6.729 -0.935 1.00 61.14 C ATOM 0 H VAL A 109 3.916 8.143 1.539 1.00 23.41 H new ATOM 0 HA VAL A 109 4.473 5.295 2.066 1.00 62.52 H new ATOM 0 HB VAL A 109 4.412 4.867 -0.202 1.00 61.14 H new ATOM 0 HG11 VAL A 109 2.530 6.063 -1.240 1.00 74.24 H new ATOM 0 HG12 VAL A 109 2.187 5.633 0.453 1.00 74.24 H new ATOM 0 HG13 VAL A 109 2.623 7.306 0.031 1.00 74.24 H new ATOM 0 HG21 VAL A 109 4.845 6.532 -1.964 1.00 61.14 H new ATOM 0 HG22 VAL A 109 5.033 7.792 -0.722 1.00 61.14 H new ATOM 0 HG23 VAL A 109 6.187 6.439 -0.799 1.00 61.14 H new ATOM 1793 N ALA A 110 6.943 5.573 2.068 1.00 15.42 N ATOM 1794 CA ALA A 110 8.385 5.752 2.177 1.00 61.42 C ATOM 1795 C ALA A 110 9.089 5.326 0.893 1.00 42.01 C ATOM 1796 O ALA A 110 9.166 4.138 0.581 1.00 24.52 O ATOM 1797 CB ALA A 110 8.926 4.968 3.363 1.00 41.21 C ATOM 0 H ALA A 110 6.599 4.686 2.437 1.00 15.42 H new ATOM 0 HA ALA A 110 8.584 6.812 2.335 1.00 61.42 H new ATOM 0 HB1 ALA A 110 10.004 5.111 3.432 1.00 41.21 H new ATOM 0 HB2 ALA A 110 8.453 5.322 4.279 1.00 41.21 H new ATOM 0 HB3 ALA A 110 8.708 3.908 3.229 1.00 41.21 H new ATOM 1803 N CYS A 111 9.600 6.303 0.151 1.00 5.20 N ATOM 1804 CA CYS A 111 10.297 6.030 -1.099 1.00 64.55 C ATOM 1805 C CYS A 111 11.789 5.817 -0.856 1.00 12.51 C ATOM 1806 O CYS A 111 12.468 6.684 -0.304 1.00 55.33 O ATOM 1807 CB CYS A 111 10.088 7.179 -2.086 1.00 44.51 C ATOM 1808 SG CYS A 111 8.629 6.983 -3.159 1.00 41.35 S ATOM 0 H CYS A 111 9.544 7.292 0.395 1.00 5.20 H new ATOM 0 HA CYS A 111 9.883 5.116 -1.524 1.00 64.55 H new ATOM 0 HB2 CYS A 111 9.992 8.110 -1.528 1.00 44.51 H new ATOM 0 HB3 CYS A 111 10.976 7.272 -2.712 1.00 44.51 H new ATOM 1813 N ASP A 112 12.292 4.661 -1.271 1.00 63.43 N ATOM 1814 CA ASP A 112 13.703 4.335 -1.100 1.00 72.33 C ATOM 1815 C ASP A 112 14.330 3.921 -2.428 1.00 43.20 C ATOM 1816 O ASP A 112 13.628 3.689 -3.411 1.00 51.51 O ATOM 1817 CB ASP A 112 13.869 3.215 -0.072 1.00 61.53 C ATOM 1818 CG ASP A 112 15.178 3.314 0.686 1.00 43.14 C ATOM 1819 OD1 ASP A 112 15.333 4.266 1.481 1.00 31.35 O ATOM 1820 OD2 ASP A 112 16.047 2.441 0.486 1.00 21.22 O ATOM 0 H ASP A 112 11.744 3.933 -1.729 1.00 63.43 H new ATOM 0 HA ASP A 112 14.215 5.227 -0.739 1.00 72.33 H new ATOM 0 HB2 ASP A 112 13.040 3.249 0.635 1.00 61.53 H new ATOM 0 HB3 ASP A 112 13.818 2.251 -0.578 1.00 61.53 H new ATOM 1825 N ASN A 113 15.656 3.833 -2.448 1.00 21.53 N ATOM 1826 CA ASN A 113 16.379 3.448 -3.656 1.00 32.32 C ATOM 1827 C ASN A 113 15.856 2.123 -4.203 1.00 5.13 C ATOM 1828 O ASN A 113 15.756 1.135 -3.474 1.00 71.21 O ATOM 1829 CB ASN A 113 17.877 3.338 -3.366 1.00 51.52 C ATOM 1830 CG ASN A 113 18.192 2.256 -2.351 1.00 52.35 C ATOM 1831 OD1 ASN A 113 17.856 2.377 -1.173 1.00 60.03 O ATOM 1832 ND2 ASN A 113 18.842 1.191 -2.806 1.00 15.13 N ATOM 0 H ASN A 113 16.252 4.023 -1.642 1.00 21.53 H new ATOM 0 HA ASN A 113 16.218 4.220 -4.408 1.00 32.32 H new ATOM 0 HB2 ASN A 113 18.409 3.128 -4.294 1.00 51.52 H new ATOM 0 HB3 ASN A 113 18.244 4.296 -2.998 1.00 51.52 H new ATOM 0 HD21 ASN A 113 19.083 0.430 -2.170 1.00 15.13 H new ATOM 0 HD22 ASN A 113 19.101 1.134 -3.791 1.00 15.13 H new ATOM 1839 N ARG A 114 15.528 2.109 -5.490 1.00 31.32 N ATOM 1840 CA ARG A 114 15.017 0.905 -6.135 1.00 34.35 C ATOM 1841 C ARG A 114 15.898 0.504 -7.314 1.00 12.12 C ATOM 1842 O ARG A 114 16.885 1.172 -7.620 1.00 3.31 O ATOM 1843 CB ARG A 114 13.580 1.128 -6.611 1.00 33.45 C ATOM 1844 CG ARG A 114 13.485 1.752 -7.993 1.00 11.14 C ATOM 1845 CD ARG A 114 14.177 3.106 -8.041 1.00 32.04 C ATOM 1846 NE ARG A 114 15.566 2.996 -8.477 1.00 25.04 N ATOM 1847 CZ ARG A 114 15.938 2.989 -9.752 1.00 51.04 C ATOM 1848 NH1 ARG A 114 15.028 3.088 -10.712 1.00 2.04 N ATOM 1849 NH2 ARG A 114 17.222 2.887 -10.069 1.00 65.32 N ATOM 0 H ARG A 114 15.607 2.917 -6.107 1.00 31.32 H new ATOM 0 HA ARG A 114 15.030 0.097 -5.403 1.00 34.35 H new ATOM 0 HB2 ARG A 114 13.056 0.172 -6.617 1.00 33.45 H new ATOM 0 HB3 ARG A 114 13.065 1.770 -5.896 1.00 33.45 H new ATOM 0 HG2 ARG A 114 13.937 1.085 -8.727 1.00 11.14 H new ATOM 0 HG3 ARG A 114 12.437 1.867 -8.270 1.00 11.14 H new ATOM 0 HD2 ARG A 114 13.636 3.766 -8.719 1.00 32.04 H new ATOM 0 HD3 ARG A 114 14.143 3.566 -7.053 1.00 32.04 H new ATOM 0 HE ARG A 114 16.291 2.920 -7.763 1.00 25.04 H new ATOM 0 HH11 ARG A 114 14.040 3.170 -10.472 1.00 2.04 H new ATOM 0 HH12 ARG A 114 15.316 3.082 -11.690 1.00 2.04 H new ATOM 0 HH21 ARG A 114 17.925 2.814 -9.333 1.00 65.32 H new ATOM 0 HH22 ARG A 114 17.507 2.882 -11.048 1.00 65.32 H new ATOM 1863 N ASP A 115 15.534 -0.591 -7.972 1.00 52.22 N ATOM 1864 CA ASP A 115 16.290 -1.082 -9.118 1.00 52.42 C ATOM 1865 C ASP A 115 15.823 -0.410 -10.406 1.00 10.55 C ATOM 1866 O ASP A 115 14.633 -0.175 -10.616 1.00 13.04 O ATOM 1867 CB ASP A 115 16.148 -2.599 -9.239 1.00 34.13 C ATOM 1868 CG ASP A 115 17.370 -3.249 -9.858 1.00 54.30 C ATOM 1869 OD1 ASP A 115 17.433 -3.326 -11.103 1.00 11.02 O ATOM 1870 OD2 ASP A 115 18.262 -3.680 -9.098 1.00 54.15 O ATOM 0 H ASP A 115 14.719 -1.156 -7.731 1.00 52.22 H new ATOM 0 HA ASP A 115 17.340 -0.835 -8.961 1.00 52.42 H new ATOM 0 HB2 ASP A 115 15.976 -3.025 -8.250 1.00 34.13 H new ATOM 0 HB3 ASP A 115 15.271 -2.832 -9.843 1.00 34.13 H new ATOM 1875 N PRO A 116 16.781 -0.093 -11.289 1.00 73.22 N ATOM 1876 CA PRO A 116 16.491 0.557 -12.572 1.00 23.21 C ATOM 1877 C PRO A 116 15.767 -0.371 -13.541 1.00 21.32 C ATOM 1878 O PRO A 116 15.521 -0.013 -14.693 1.00 43.52 O ATOM 1879 CB PRO A 116 17.878 0.915 -13.110 1.00 24.54 C ATOM 1880 CG PRO A 116 18.798 -0.065 -12.465 1.00 43.32 C ATOM 1881 CD PRO A 116 18.220 -0.345 -11.106 1.00 11.21 C ATOM 0 HA PRO A 116 15.830 1.416 -12.454 1.00 23.21 H new ATOM 0 HB2 PRO A 116 17.914 0.836 -14.197 1.00 24.54 H new ATOM 0 HB3 PRO A 116 18.149 1.940 -12.856 1.00 24.54 H new ATOM 0 HG2 PRO A 116 18.869 -0.979 -13.054 1.00 43.32 H new ATOM 0 HG3 PRO A 116 19.806 0.341 -12.384 1.00 43.32 H new ATOM 0 HD2 PRO A 116 18.411 -1.371 -10.791 1.00 11.21 H new ATOM 0 HD3 PRO A 116 18.649 0.307 -10.345 1.00 11.21 H new ATOM 1889 N ARG A 117 15.427 -1.566 -13.068 1.00 12.45 N ATOM 1890 CA ARG A 117 14.731 -2.545 -13.893 1.00 34.44 C ATOM 1891 C ARG A 117 13.225 -2.490 -13.651 1.00 54.32 C ATOM 1892 O ARG A 117 12.444 -3.073 -14.403 1.00 54.21 O ATOM 1893 CB ARG A 117 15.253 -3.953 -13.601 1.00 32.21 C ATOM 1894 CG ARG A 117 14.773 -4.518 -12.274 1.00 55.41 C ATOM 1895 CD ARG A 117 14.647 -6.032 -12.326 1.00 72.12 C ATOM 1896 NE ARG A 117 14.439 -6.610 -11.000 1.00 61.43 N ATOM 1897 CZ ARG A 117 14.004 -7.848 -10.799 1.00 35.42 C ATOM 1898 NH1 ARG A 117 13.732 -8.636 -11.831 1.00 34.13 N ATOM 1899 NH2 ARG A 117 13.839 -8.303 -9.563 1.00 54.12 N ATOM 0 H ARG A 117 15.623 -1.879 -12.117 1.00 12.45 H new ATOM 0 HA ARG A 117 14.923 -2.302 -14.938 1.00 34.44 H new ATOM 0 HB2 ARG A 117 14.941 -4.621 -14.404 1.00 32.21 H new ATOM 0 HB3 ARG A 117 16.343 -3.935 -13.606 1.00 32.21 H new ATOM 0 HG2 ARG A 117 15.470 -4.237 -11.484 1.00 55.41 H new ATOM 0 HG3 ARG A 117 13.808 -4.080 -12.019 1.00 55.41 H new ATOM 0 HD2 ARG A 117 13.815 -6.304 -12.975 1.00 72.12 H new ATOM 0 HD3 ARG A 117 15.548 -6.456 -12.769 1.00 72.12 H new ATOM 0 HE ARG A 117 14.639 -6.031 -10.185 1.00 61.43 H new ATOM 0 HH11 ARG A 117 13.857 -8.291 -12.783 1.00 34.13 H new ATOM 0 HH12 ARG A 117 13.398 -9.587 -11.673 1.00 34.13 H new ATOM 0 HH21 ARG A 117 14.047 -7.701 -8.766 1.00 54.12 H new ATOM 0 HH22 ARG A 117 13.505 -9.254 -9.410 1.00 54.12 H new ATOM 1913 N ASP A 118 12.827 -1.786 -12.597 1.00 73.11 N ATOM 1914 CA ASP A 118 11.415 -1.653 -12.256 1.00 63.24 C ATOM 1915 C ASP A 118 10.933 -0.223 -12.482 1.00 4.25 C ATOM 1916 O ASP A 118 9.853 0.000 -13.030 1.00 2.45 O ATOM 1917 CB ASP A 118 11.180 -2.059 -10.801 1.00 31.24 C ATOM 1918 CG ASP A 118 10.841 -3.531 -10.658 1.00 51.41 C ATOM 1919 OD1 ASP A 118 11.777 -4.342 -10.495 1.00 15.01 O ATOM 1920 OD2 ASP A 118 9.640 -3.870 -10.708 1.00 64.45 O ATOM 0 H ASP A 118 13.462 -1.299 -11.964 1.00 73.11 H new ATOM 0 HA ASP A 118 10.846 -2.316 -12.907 1.00 63.24 H new ATOM 0 HB2 ASP A 118 12.072 -1.836 -10.216 1.00 31.24 H new ATOM 0 HB3 ASP A 118 10.369 -1.460 -10.386 1.00 31.24 H new ATOM 1925 N SER A 119 11.741 0.742 -12.056 1.00 3.44 N ATOM 1926 CA SER A 119 11.395 2.151 -12.206 1.00 20.41 C ATOM 1927 C SER A 119 12.470 2.892 -12.996 1.00 12.12 C ATOM 1928 O SER A 119 13.309 3.600 -12.438 1.00 64.44 O ATOM 1929 CB SER A 119 11.214 2.803 -10.834 1.00 71.40 C ATOM 1930 OG SER A 119 10.283 3.870 -10.896 1.00 11.10 O ATOM 0 H SER A 119 12.640 0.574 -11.604 1.00 3.44 H new ATOM 0 HA SER A 119 10.456 2.213 -12.756 1.00 20.41 H new ATOM 0 HB2 SER A 119 10.871 2.058 -10.116 1.00 71.40 H new ATOM 0 HB3 SER A 119 12.174 3.174 -10.474 1.00 71.40 H new ATOM 0 HG SER A 119 9.531 3.683 -10.296 1.00 11.10 H new ATOM 1936 N PRO A 120 12.443 2.728 -14.327 1.00 44.12 N ATOM 1937 CA PRO A 120 13.406 3.373 -15.223 1.00 43.42 C ATOM 1938 C PRO A 120 13.200 4.882 -15.308 1.00 35.01 C ATOM 1939 O PRO A 120 14.100 5.620 -15.709 1.00 11.14 O ATOM 1940 CB PRO A 120 13.125 2.719 -16.577 1.00 65.23 C ATOM 1941 CG PRO A 120 11.705 2.275 -16.496 1.00 41.23 C ATOM 1942 CD PRO A 120 11.471 1.899 -15.059 1.00 71.43 C ATOM 0 HA PRO A 120 14.432 3.245 -14.877 1.00 43.42 H new ATOM 0 HB2 PRO A 120 13.273 3.424 -17.395 1.00 65.23 H new ATOM 0 HB3 PRO A 120 13.793 1.877 -16.756 1.00 65.23 H new ATOM 0 HG2 PRO A 120 11.029 3.071 -16.806 1.00 41.23 H new ATOM 0 HG3 PRO A 120 11.523 1.427 -17.156 1.00 41.23 H new ATOM 0 HD2 PRO A 120 10.448 2.112 -14.749 1.00 71.43 H new ATOM 0 HD3 PRO A 120 11.641 0.836 -14.889 1.00 71.43 H new ATOM 1950 N ARG A 121 12.009 5.333 -14.928 1.00 10.23 N ATOM 1951 CA ARG A 121 11.685 6.754 -14.961 1.00 71.33 C ATOM 1952 C ARG A 121 11.889 7.391 -13.589 1.00 64.14 C ATOM 1953 O ARG A 121 12.442 8.486 -13.479 1.00 0.42 O ATOM 1954 CB ARG A 121 10.239 6.958 -15.418 1.00 61.31 C ATOM 1955 CG ARG A 121 9.210 6.363 -14.471 1.00 41.52 C ATOM 1956 CD ARG A 121 7.959 5.923 -15.213 1.00 32.44 C ATOM 1957 NE ARG A 121 8.277 5.198 -16.441 1.00 14.23 N ATOM 1958 CZ ARG A 121 7.445 5.099 -17.471 1.00 33.21 C ATOM 1959 NH1 ARG A 121 6.251 5.675 -17.422 1.00 63.25 N ATOM 1960 NH2 ARG A 121 7.805 4.422 -18.554 1.00 44.42 N ATOM 0 H ARG A 121 11.253 4.735 -14.594 1.00 10.23 H new ATOM 0 HA ARG A 121 12.356 7.237 -15.671 1.00 71.33 H new ATOM 0 HB2 ARG A 121 10.048 8.026 -15.524 1.00 61.31 H new ATOM 0 HB3 ARG A 121 10.113 6.512 -16.405 1.00 61.31 H new ATOM 0 HG2 ARG A 121 9.644 5.510 -13.950 1.00 41.52 H new ATOM 0 HG3 ARG A 121 8.944 7.099 -13.712 1.00 41.52 H new ATOM 0 HD2 ARG A 121 7.356 5.288 -14.563 1.00 32.44 H new ATOM 0 HD3 ARG A 121 7.354 6.797 -15.454 1.00 32.44 H new ATOM 0 HE ARG A 121 9.187 4.743 -16.511 1.00 14.23 H new ATOM 0 HH11 ARG A 121 5.970 6.196 -16.591 1.00 63.25 H new ATOM 0 HH12 ARG A 121 5.614 5.597 -18.215 1.00 63.25 H new ATOM 0 HH21 ARG A 121 8.722 3.977 -18.596 1.00 44.42 H new ATOM 0 HH22 ARG A 121 7.165 4.347 -19.345 1.00 44.42 H new ATOM 1974 N TYR A 122 11.441 6.699 -12.548 1.00 41.12 N ATOM 1975 CA TYR A 122 11.572 7.198 -11.185 1.00 3.13 C ATOM 1976 C TYR A 122 12.729 6.514 -10.463 1.00 24.32 C ATOM 1977 O TYR A 122 12.807 5.287 -10.384 1.00 32.34 O ATOM 1978 CB TYR A 122 10.272 6.978 -10.411 1.00 62.20 C ATOM 1979 CG TYR A 122 9.028 7.235 -11.231 1.00 40.54 C ATOM 1980 CD1 TYR A 122 8.635 8.530 -11.546 1.00 42.13 C ATOM 1981 CD2 TYR A 122 8.246 6.184 -11.693 1.00 33.33 C ATOM 1982 CE1 TYR A 122 7.499 8.771 -12.294 1.00 23.24 C ATOM 1983 CE2 TYR A 122 7.109 6.414 -12.442 1.00 55.24 C ATOM 1984 CZ TYR A 122 6.739 7.710 -12.740 1.00 44.11 C ATOM 1985 OH TYR A 122 5.608 7.944 -13.488 1.00 54.40 O ATOM 0 H TYR A 122 10.984 5.790 -12.622 1.00 41.12 H new ATOM 0 HA TYR A 122 11.780 8.267 -11.236 1.00 3.13 H new ATOM 0 HB2 TYR A 122 10.248 5.953 -10.042 1.00 62.20 H new ATOM 0 HB3 TYR A 122 10.263 7.631 -9.539 1.00 62.20 H new ATOM 0 HD1 TYR A 122 9.228 9.363 -11.200 1.00 42.13 H new ATOM 0 HD2 TYR A 122 8.532 5.169 -11.462 1.00 33.33 H new ATOM 0 HE1 TYR A 122 7.208 9.784 -12.528 1.00 23.24 H new ATOM 0 HE2 TYR A 122 6.513 5.585 -12.793 1.00 55.24 H new ATOM 0 HH TYR A 122 5.324 7.112 -13.921 1.00 54.40 H new ATOM 1995 N PRO A 123 13.651 7.324 -9.924 1.00 11.41 N ATOM 1996 CA PRO A 123 14.821 6.820 -9.197 1.00 54.33 C ATOM 1997 C PRO A 123 14.446 6.194 -7.858 1.00 24.42 C ATOM 1998 O PRO A 123 15.220 5.432 -7.280 1.00 22.23 O ATOM 1999 CB PRO A 123 15.671 8.074 -8.981 1.00 1.44 C ATOM 2000 CG PRO A 123 14.698 9.202 -9.011 1.00 43.34 C ATOM 2001 CD PRO A 123 13.623 8.795 -9.980 1.00 50.32 C ATOM 0 HA PRO A 123 15.333 6.030 -9.746 1.00 54.33 H new ATOM 0 HB2 PRO A 123 16.201 8.034 -8.029 1.00 1.44 H new ATOM 0 HB3 PRO A 123 16.425 8.181 -9.761 1.00 1.44 H new ATOM 0 HG2 PRO A 123 14.282 9.385 -8.020 1.00 43.34 H new ATOM 0 HG3 PRO A 123 15.181 10.126 -9.329 1.00 43.34 H new ATOM 0 HD2 PRO A 123 12.650 9.190 -9.689 1.00 50.32 H new ATOM 0 HD3 PRO A 123 13.828 9.163 -10.985 1.00 50.32 H new ATOM 2009 N VAL A 124 13.252 6.519 -7.371 1.00 24.10 N ATOM 2010 CA VAL A 124 12.774 5.987 -6.101 1.00 65.30 C ATOM 2011 C VAL A 124 11.348 5.463 -6.227 1.00 12.25 C ATOM 2012 O VAL A 124 10.618 5.835 -7.145 1.00 21.41 O ATOM 2013 CB VAL A 124 12.823 7.053 -4.992 1.00 14.54 C ATOM 2014 CG1 VAL A 124 11.542 7.875 -4.984 1.00 32.12 C ATOM 2015 CG2 VAL A 124 13.056 6.403 -3.636 1.00 71.24 C ATOM 0 H VAL A 124 12.599 7.148 -7.837 1.00 24.10 H new ATOM 0 HA VAL A 124 13.437 5.165 -5.832 1.00 65.30 H new ATOM 0 HB VAL A 124 13.657 7.724 -5.196 1.00 14.54 H new ATOM 0 HG11 VAL A 124 11.595 8.623 -4.193 1.00 32.12 H new ATOM 0 HG12 VAL A 124 11.423 8.372 -5.947 1.00 32.12 H new ATOM 0 HG13 VAL A 124 10.690 7.219 -4.806 1.00 32.12 H new ATOM 0 HG21 VAL A 124 13.088 7.172 -2.864 1.00 71.24 H new ATOM 0 HG22 VAL A 124 12.245 5.707 -3.422 1.00 71.24 H new ATOM 0 HG23 VAL A 124 14.003 5.863 -3.649 1.00 71.24 H new ATOM 2025 N VAL A 125 10.957 4.599 -5.296 1.00 12.04 N ATOM 2026 CA VAL A 125 9.616 4.025 -5.300 1.00 60.14 C ATOM 2027 C VAL A 125 9.156 3.693 -3.886 1.00 72.50 C ATOM 2028 O VAL A 125 9.959 3.485 -2.977 1.00 42.32 O ATOM 2029 CB VAL A 125 9.555 2.748 -6.161 1.00 52.53 C ATOM 2030 CG1 VAL A 125 9.578 3.101 -7.641 1.00 2.41 C ATOM 2031 CG2 VAL A 125 10.703 1.814 -5.809 1.00 53.14 C ATOM 0 H VAL A 125 11.550 4.281 -4.529 1.00 12.04 H new ATOM 0 HA VAL A 125 8.952 4.776 -5.728 1.00 60.14 H new ATOM 0 HB VAL A 125 8.619 2.231 -5.950 1.00 52.53 H new ATOM 0 HG11 VAL A 125 9.534 2.187 -8.234 1.00 2.41 H new ATOM 0 HG12 VAL A 125 8.719 3.729 -7.879 1.00 2.41 H new ATOM 0 HG13 VAL A 125 10.497 3.640 -7.872 1.00 2.41 H new ATOM 0 HG21 VAL A 125 10.645 0.917 -6.426 1.00 53.14 H new ATOM 0 HG22 VAL A 125 11.652 2.319 -5.991 1.00 53.14 H new ATOM 0 HG23 VAL A 125 10.636 1.536 -4.757 1.00 53.14 H new ATOM 2041 N PRO A 126 7.830 3.642 -3.693 1.00 34.14 N ATOM 2042 CA PRO A 126 7.230 3.335 -2.390 1.00 23.30 C ATOM 2043 C PRO A 126 7.445 1.881 -1.982 1.00 53.12 C ATOM 2044 O PRO A 126 7.181 0.962 -2.757 1.00 53.04 O ATOM 2045 CB PRO A 126 5.741 3.615 -2.610 1.00 22.51 C ATOM 2046 CG PRO A 126 5.535 3.435 -4.074 1.00 35.31 C ATOM 2047 CD PRO A 126 6.811 3.879 -4.731 1.00 44.52 C ATOM 0 HA PRO A 126 7.674 3.924 -1.587 1.00 23.30 H new ATOM 0 HB2 PRO A 126 5.120 2.928 -2.035 1.00 22.51 H new ATOM 0 HB3 PRO A 126 5.477 4.624 -2.294 1.00 22.51 H new ATOM 0 HG2 PRO A 126 5.316 2.394 -4.312 1.00 35.31 H new ATOM 0 HG3 PRO A 126 4.690 4.027 -4.424 1.00 35.31 H new ATOM 0 HD2 PRO A 126 7.018 3.306 -5.635 1.00 44.52 H new ATOM 0 HD3 PRO A 126 6.769 4.929 -5.021 1.00 44.52 H new ATOM 2055 N VAL A 127 7.925 1.679 -0.760 1.00 3.03 N ATOM 2056 CA VAL A 127 8.174 0.336 -0.247 1.00 40.45 C ATOM 2057 C VAL A 127 7.630 0.179 1.168 1.00 32.43 C ATOM 2058 O VAL A 127 7.857 -0.839 1.823 1.00 61.24 O ATOM 2059 CB VAL A 127 9.678 0.007 -0.247 1.00 24.42 C ATOM 2060 CG1 VAL A 127 10.209 -0.067 -1.671 1.00 3.44 C ATOM 2061 CG2 VAL A 127 10.449 1.035 0.566 1.00 24.24 C ATOM 0 H VAL A 127 8.150 2.428 -0.105 1.00 3.03 H new ATOM 0 HA VAL A 127 7.658 -0.358 -0.910 1.00 40.45 H new ATOM 0 HB VAL A 127 9.818 -0.969 0.218 1.00 24.42 H new ATOM 0 HG11 VAL A 127 11.274 -0.300 -1.651 1.00 3.44 H new ATOM 0 HG12 VAL A 127 9.677 -0.846 -2.218 1.00 3.44 H new ATOM 0 HG13 VAL A 127 10.057 0.892 -2.166 1.00 3.44 H new ATOM 0 HG21 VAL A 127 11.510 0.786 0.555 1.00 24.24 H new ATOM 0 HG22 VAL A 127 10.304 2.025 0.133 1.00 24.24 H new ATOM 0 HG23 VAL A 127 10.087 1.032 1.594 1.00 24.24 H new ATOM 2071 N HIS A 128 6.907 1.193 1.635 1.00 5.44 N ATOM 2072 CA HIS A 128 6.329 1.166 2.973 1.00 33.03 C ATOM 2073 C HIS A 128 5.239 2.225 3.116 1.00 60.15 C ATOM 2074 O HIS A 128 5.418 3.373 2.708 1.00 3.52 O ATOM 2075 CB HIS A 128 7.415 1.391 4.026 1.00 0.42 C ATOM 2076 CG HIS A 128 6.886 1.895 5.334 1.00 23.13 C ATOM 2077 ND1 HIS A 128 6.207 3.025 5.638 1.00 31.44 N flip ATOM 2078 CD2 HIS A 128 7.037 1.210 6.521 1.00 42.34 C flip ATOM 2079 CE1 HIS A 128 5.961 3.002 6.988 1.00 51.33 C flip ATOM 2080 NE2 HIS A 128 6.471 1.895 7.498 1.00 31.22 N flip ATOM 0 H HIS A 128 6.708 2.042 1.106 1.00 5.44 H new ATOM 0 HA HIS A 128 5.881 0.185 3.128 1.00 33.03 H new ATOM 0 HB2 HIS A 128 7.946 0.454 4.195 1.00 0.42 H new ATOM 0 HB3 HIS A 128 8.143 2.104 3.639 1.00 0.42 H new ATOM 0 HD2 HIS A 128 7.540 0.261 6.634 1.00 42.34 H new ATOM 0 HE1 HIS A 128 5.436 3.765 7.543 1.00 51.33 H new ATOM 0 HE2 HIS A 128 6.434 1.617 8.479 1.00 31.22 H new ATOM 2089 N LEU A 129 4.110 1.830 3.694 1.00 40.52 N ATOM 2090 CA LEU A 129 2.992 2.746 3.890 1.00 74.31 C ATOM 2091 C LEU A 129 2.753 3.006 5.373 1.00 31.23 C ATOM 2092 O LEU A 129 2.217 2.156 6.085 1.00 71.13 O ATOM 2093 CB LEU A 129 1.724 2.176 3.250 1.00 10.03 C ATOM 2094 CG LEU A 129 0.555 3.149 3.093 1.00 32.40 C ATOM 2095 CD1 LEU A 129 -0.126 3.386 4.432 1.00 11.12 C ATOM 2096 CD2 LEU A 129 1.033 4.464 2.495 1.00 21.14 C ATOM 0 H LEU A 129 3.945 0.883 4.035 1.00 40.52 H new ATOM 0 HA LEU A 129 3.242 3.693 3.411 1.00 74.31 H new ATOM 0 HB2 LEU A 129 1.982 1.787 2.265 1.00 10.03 H new ATOM 0 HB3 LEU A 129 1.388 1.329 3.849 1.00 10.03 H new ATOM 0 HG LEU A 129 -0.172 2.707 2.413 1.00 32.40 H new ATOM 0 HD11 LEU A 129 -0.955 4.081 4.300 1.00 11.12 H new ATOM 0 HD12 LEU A 129 -0.503 2.440 4.821 1.00 11.12 H new ATOM 0 HD13 LEU A 129 0.592 3.807 5.136 1.00 11.12 H new ATOM 0 HD21 LEU A 129 0.188 5.145 2.390 1.00 21.14 H new ATOM 0 HD22 LEU A 129 1.780 4.911 3.150 1.00 21.14 H new ATOM 0 HD23 LEU A 129 1.474 4.279 1.515 1.00 21.14 H new ATOM 2108 N ASP A 130 3.154 4.186 5.833 1.00 53.31 N ATOM 2109 CA ASP A 130 2.981 4.560 7.232 1.00 14.50 C ATOM 2110 C ASP A 130 1.504 4.574 7.613 1.00 60.35 C ATOM 2111 O ASP A 130 1.084 3.884 8.542 1.00 10.22 O ATOM 2112 CB ASP A 130 3.601 5.934 7.495 1.00 33.11 C ATOM 2113 CG ASP A 130 4.136 6.067 8.907 1.00 60.24 C ATOM 2114 OD1 ASP A 130 3.318 6.113 9.850 1.00 34.40 O ATOM 2115 OD2 ASP A 130 5.372 6.125 9.070 1.00 61.22 O ATOM 0 H ASP A 130 3.601 4.900 5.258 1.00 53.31 H new ATOM 0 HA ASP A 130 3.489 3.816 7.846 1.00 14.50 H new ATOM 0 HB2 ASP A 130 4.410 6.106 6.785 1.00 33.11 H new ATOM 0 HB3 ASP A 130 2.853 6.707 7.319 1.00 33.11 H new ATOM 2120 N THR A 131 0.718 5.365 6.888 1.00 12.31 N ATOM 2121 CA THR A 131 -0.711 5.472 7.152 1.00 70.32 C ATOM 2122 C THR A 131 -1.417 6.250 6.047 1.00 33.31 C ATOM 2123 O THR A 131 -0.773 6.824 5.168 1.00 34.40 O ATOM 2124 CB THR A 131 -0.985 6.157 8.503 1.00 52.03 C ATOM 2125 OG1 THR A 131 -2.380 6.086 8.816 1.00 52.35 O ATOM 2126 CG2 THR A 131 -0.541 7.612 8.471 1.00 13.42 C ATOM 0 H THR A 131 1.048 5.941 6.113 1.00 12.31 H new ATOM 0 HA THR A 131 -1.103 4.455 7.185 1.00 70.32 H new ATOM 0 HB THR A 131 -0.415 5.635 9.271 1.00 52.03 H new ATOM 0 HG1 THR A 131 -2.545 6.523 9.678 1.00 52.35 H new ATOM 0 HG21 THR A 131 -0.744 8.076 9.436 1.00 13.42 H new ATOM 0 HG22 THR A 131 0.528 7.662 8.262 1.00 13.42 H new ATOM 0 HG23 THR A 131 -1.088 8.142 7.691 1.00 13.42 H new ATOM 2134 N THR A 132 -2.745 6.267 6.098 1.00 15.11 N ATOM 2135 CA THR A 132 -3.539 6.976 5.102 1.00 10.35 C ATOM 2136 C THR A 132 -4.513 7.945 5.763 1.00 42.32 C ATOM 2137 O THR A 132 -5.449 7.530 6.446 1.00 12.35 O ATOM 2138 CB THR A 132 -4.331 5.996 4.215 1.00 10.30 C ATOM 2139 OG1 THR A 132 -4.894 4.954 5.018 1.00 32.03 O ATOM 2140 CG2 THR A 132 -3.436 5.392 3.144 1.00 51.04 C ATOM 0 H THR A 132 -3.294 5.798 6.819 1.00 15.11 H new ATOM 0 HA THR A 132 -2.840 7.535 4.480 1.00 10.35 H new ATOM 0 HB THR A 132 -5.133 6.549 3.726 1.00 10.30 H new ATOM 0 HG1 THR A 132 -5.322 5.345 5.808 1.00 32.03 H new ATOM 0 HG21 THR A 132 -4.017 4.704 2.530 1.00 51.04 H new ATOM 0 HG22 THR A 132 -3.033 6.187 2.516 1.00 51.04 H new ATOM 0 HG23 THR A 132 -2.616 4.852 3.617 1.00 51.04 H new ATOM 2148 N ILE A 133 -4.286 9.238 5.554 1.00 62.21 N ATOM 2149 CA ILE A 133 -5.145 10.267 6.129 1.00 60.54 C ATOM 2150 C ILE A 133 -4.825 11.638 5.545 1.00 72.33 C ATOM 2151 O ILE A 133 -3.667 11.958 5.280 1.00 4.31 O ATOM 2152 CB ILE A 133 -5.003 10.327 7.661 1.00 73.14 C ATOM 2153 CG1 ILE A 133 -6.005 11.322 8.249 1.00 74.00 C ATOM 2154 CG2 ILE A 133 -3.581 10.708 8.047 1.00 51.55 C ATOM 2155 CD1 ILE A 133 -5.697 12.763 7.908 1.00 3.32 C ATOM 0 H ILE A 133 -3.515 9.598 4.991 1.00 62.21 H new ATOM 0 HA ILE A 133 -6.171 9.999 5.878 1.00 60.54 H new ATOM 0 HB ILE A 133 -5.217 9.340 8.070 1.00 73.14 H new ATOM 0 HG12 ILE A 133 -7.003 11.077 7.887 1.00 74.00 H new ATOM 0 HG13 ILE A 133 -6.023 11.210 9.333 1.00 74.00 H new ATOM 0 HG21 ILE A 133 -3.497 10.746 9.133 1.00 51.55 H new ATOM 0 HG22 ILE A 133 -2.886 9.965 7.655 1.00 51.55 H new ATOM 0 HG23 ILE A 133 -3.340 11.686 7.630 1.00 51.55 H new ATOM 0 HD11 ILE A 133 -6.448 13.412 8.358 1.00 3.32 H new ATOM 0 HD12 ILE A 133 -4.712 13.026 8.294 1.00 3.32 H new ATOM 0 HD13 ILE A 133 -5.708 12.891 6.826 1.00 3.32 H new TER 2167 ILE A 133