USER MOD reduce.3.24.130724 H: found=0, std=0, add=1009, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 1016 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 116 HIS : no HD1:sc=-0.00539 X(o=-0.0054,f=0) USER MOD Set 1.2: A 127 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 10 MET CE :methyl -170:sc= -0.155 (180deg=-0.291) USER MOD Set 2.2: A 13 ASN : amide:sc= -0.0143 K(o=1,f=-5.2!) USER MOD Set 2.3: A 37 LYS NZ :NH3+ 170:sc= 1.2 (180deg=0.311) USER MOD Set 2.4: A 119 MET CE :methyl -168:sc= 0 (180deg=-0.258) USER MOD Set 2.5: A 128 GLN : amide:sc= -0.0328 K(o=1,f=-0.34) USER MOD Set 3.1: A 94 GLN : amide:sc= -0.181 K(o=0.31,f=-1.1!) USER MOD Set 3.2: A 107 THR OG1 : rot 0:sc= 0.487 USER MOD Set 4.1: A 65 GLN : amide:sc= 0 X(o=0,f=-0.0036) USER MOD Set 4.2: A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 5.1: A 5 ASN : amide:sc= 0.658 K(o=0.79,f=-2.2) USER MOD Set 5.2: A 44 GLN : amide:sc= 0.132 K(o=0.79,f=-0.14) USER MOD Set 6.1: A 40 LYS NZ :NH3+ 177:sc= 0.634 (180deg=0) USER MOD Set 6.2: A 53 THR OG1 : rot 160:sc= 0.565 USER MOD Single : A 7 TYR OH : rot 21:sc= 1.24 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 SER OG : rot 29:sc= 0.221 USER MOD Single : A 15 ASN : amide:sc= 0.801 K(o=0.8,f=-1.9!) USER MOD Single : A 19 TYR OH : rot 117:sc= 0.168 USER MOD Single : A 26 ASN : amide:sc= -0.0402 X(o=-0.04,f=-0.38) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 ASN : amide:sc= -0.0127 K(o=-0.013,f=-1.6) USER MOD Single : A 48 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 49 MET CE :methyl 136:sc= -0.138 (180deg=-0.523) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 56 THR OG1 : rot 52:sc= 0.31 USER MOD Single : A 59 ASN : amide:sc= 0.263 K(o=0.26,f=-4!) USER MOD Single : A 60 TYR OH : rot -29:sc= 1.24 USER MOD Single : A 62 MET CE :methyl -154:sc= -0.0404 (180deg=-0.521) USER MOD Single : A 82 CYS SG : rot 180:sc= -0.187 USER MOD Single : A 83 MET CE :methyl 172:sc= 0 (180deg=-0.0916) USER MOD Single : A 84 THR OG1 : rot 85:sc= 1.21 USER MOD Single : A 85 THR OG1 : rot 84:sc= 1.08 USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 CYS SG : rot -168:sc= -0.737 USER MOD Single : A 97 GLN : amide:sc= 0 K(o=0,f=-0.74) USER MOD Single : A 98 LYS NZ :NH3+ 163:sc= 0.572 (180deg=0.423) USER MOD Single : A 101 LYS NZ :NH3+ -170:sc= 0.424 (180deg=0.38) USER MOD Single : A 108 GLN : amide:sc= 0 K(o=0,f=-3!) USER MOD Single : A 125 THR OG1 : rot 180:sc=-0.00764 USER MOD Single : A 126 CYS SG : rot 35:sc= -0.24 USER MOD Single : A 131 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 132 LYS NZ :NH3+ -135:sc= 0.00993 (180deg=0) USER MOD Single : A 134 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 19 N PRO A 1 3.401 -2.832 -0.069 1.00 0.00 N ATOM 20 CA PRO A 1 4.681 -2.067 -0.153 1.00 0.00 C ATOM 21 C PRO A 1 5.393 -2.131 -1.556 1.00 0.00 C ATOM 22 O PRO A 1 4.816 -1.701 -2.558 1.00 0.00 O ATOM 23 CB PRO A 1 5.421 -2.640 1.080 1.00 0.00 C ATOM 24 CG PRO A 1 4.967 -4.096 1.176 1.00 0.00 C ATOM 25 CD PRO A 1 3.490 -4.025 0.802 1.00 0.00 C ATOM 0 H2 PRO A 1 3.124 -3.123 -1.007 1.00 0.00 H new ATOM 0 H3 PRO A 1 2.667 -2.217 0.282 1.00 0.00 H new ATOM 0 HA PRO A 1 4.595 -0.981 -0.108 1.00 0.00 H new ATOM 0 HB2 PRO A 1 6.502 -2.571 0.958 1.00 0.00 H new ATOM 0 HB3 PRO A 1 5.167 -2.087 1.984 1.00 0.00 H new ATOM 0 HG2 PRO A 1 5.525 -4.738 0.494 1.00 0.00 H new ATOM 0 HG3 PRO A 1 5.110 -4.497 2.179 1.00 0.00 H new ATOM 0 HD2 PRO A 1 3.166 -4.926 0.280 1.00 0.00 H new ATOM 0 HD3 PRO A 1 2.859 -3.923 1.685 1.00 0.00 H new ATOM 33 N VAL A 2 6.651 -2.601 -1.639 1.00 0.00 N ATOM 34 CA VAL A 2 7.488 -2.547 -2.879 1.00 0.00 C ATOM 35 C VAL A 2 8.399 -3.819 -2.979 1.00 0.00 C ATOM 36 O VAL A 2 8.811 -4.410 -1.972 1.00 0.00 O ATOM 37 CB VAL A 2 8.338 -1.225 -2.995 1.00 0.00 C ATOM 38 CG1 VAL A 2 7.497 0.049 -3.227 1.00 0.00 C ATOM 39 CG2 VAL A 2 9.305 -0.980 -1.818 1.00 0.00 C ATOM 0 H VAL A 2 7.130 -3.034 -0.849 1.00 0.00 H new ATOM 0 HA VAL A 2 6.801 -2.537 -3.725 1.00 0.00 H new ATOM 0 HB VAL A 2 8.933 -1.414 -3.888 1.00 0.00 H new ATOM 0 HG11 VAL A 2 8.157 0.913 -3.295 1.00 0.00 H new ATOM 0 HG12 VAL A 2 6.933 -0.051 -4.154 1.00 0.00 H new ATOM 0 HG13 VAL A 2 6.806 0.185 -2.395 1.00 0.00 H new ATOM 0 HG21 VAL A 2 9.848 -0.049 -1.981 1.00 0.00 H new ATOM 0 HG22 VAL A 2 8.738 -0.911 -0.890 1.00 0.00 H new ATOM 0 HG23 VAL A 2 10.013 -1.806 -1.751 1.00 0.00 H new ATOM 49 N ASP A 3 8.779 -4.201 -4.215 1.00 0.00 N ATOM 50 CA ASP A 3 9.729 -5.321 -4.456 1.00 0.00 C ATOM 51 C ASP A 3 11.206 -4.940 -4.090 1.00 0.00 C ATOM 52 O ASP A 3 11.936 -4.363 -4.902 1.00 0.00 O ATOM 53 CB ASP A 3 9.551 -5.765 -5.935 1.00 0.00 C ATOM 54 CG ASP A 3 10.350 -7.007 -6.344 1.00 0.00 C ATOM 55 OD1 ASP A 3 9.905 -8.149 -6.301 1.00 0.00 O ATOM 56 OD2 ASP A 3 11.615 -6.698 -6.752 1.00 0.00 O ATOM 0 H ASP A 3 8.445 -3.753 -5.068 1.00 0.00 H new ATOM 0 HA ASP A 3 9.506 -6.161 -3.798 1.00 0.00 H new ATOM 0 HB2 ASP A 3 8.493 -5.958 -6.115 1.00 0.00 H new ATOM 0 HB3 ASP A 3 9.839 -4.937 -6.583 1.00 0.00 H new ATOM 62 N PHE A 4 11.663 -5.341 -2.891 1.00 0.00 N ATOM 63 CA PHE A 4 13.129 -5.412 -2.587 1.00 0.00 C ATOM 64 C PHE A 4 13.879 -6.678 -3.155 1.00 0.00 C ATOM 65 O PHE A 4 15.109 -6.701 -3.114 1.00 0.00 O ATOM 66 CB PHE A 4 13.371 -5.247 -1.055 1.00 0.00 C ATOM 67 CG PHE A 4 13.179 -3.885 -0.343 1.00 0.00 C ATOM 68 CD1 PHE A 4 12.564 -2.775 -0.933 1.00 0.00 C ATOM 69 CD2 PHE A 4 13.676 -3.764 0.962 1.00 0.00 C ATOM 70 CE1 PHE A 4 12.467 -1.566 -0.248 1.00 0.00 C ATOM 71 CE2 PHE A 4 13.568 -2.557 1.649 1.00 0.00 C ATOM 72 CZ PHE A 4 12.963 -1.463 1.045 1.00 0.00 C ATOM 0 H PHE A 4 11.060 -5.620 -2.117 1.00 0.00 H new ATOM 0 HA PHE A 4 13.576 -4.577 -3.126 1.00 0.00 H new ATOM 0 HB2 PHE A 4 12.717 -5.961 -0.553 1.00 0.00 H new ATOM 0 HB3 PHE A 4 14.396 -5.563 -0.861 1.00 0.00 H new ATOM 0 HD1 PHE A 4 12.160 -2.857 -1.931 1.00 0.00 H new ATOM 0 HD2 PHE A 4 14.146 -4.612 1.438 1.00 0.00 H new ATOM 0 HE1 PHE A 4 12.007 -0.711 -0.721 1.00 0.00 H new ATOM 0 HE2 PHE A 4 13.956 -2.472 2.653 1.00 0.00 H new ATOM 0 HZ PHE A 4 12.878 -0.530 1.582 1.00 0.00 H new ATOM 82 N ASN A 5 13.191 -7.705 -3.694 1.00 0.00 N ATOM 83 CA ASN A 5 13.787 -8.971 -4.200 1.00 0.00 C ATOM 84 C ASN A 5 14.856 -8.786 -5.326 1.00 0.00 C ATOM 85 O ASN A 5 14.524 -8.313 -6.419 1.00 0.00 O ATOM 86 CB ASN A 5 12.620 -9.856 -4.736 1.00 0.00 C ATOM 87 CG ASN A 5 11.478 -10.165 -3.760 1.00 0.00 C ATOM 88 OD1 ASN A 5 10.667 -9.308 -3.421 1.00 0.00 O ATOM 89 ND2 ASN A 5 11.417 -11.359 -3.243 1.00 0.00 N ATOM 0 H ASN A 5 12.176 -7.682 -3.795 1.00 0.00 H new ATOM 0 HA ASN A 5 14.321 -9.432 -3.369 1.00 0.00 H new ATOM 0 HB2 ASN A 5 12.195 -9.363 -5.610 1.00 0.00 H new ATOM 0 HB3 ASN A 5 13.041 -10.802 -5.076 1.00 0.00 H new ATOM 0 HD21 ASN A 5 10.696 -11.581 -2.557 1.00 0.00 H new ATOM 0 HD22 ASN A 5 12.090 -12.072 -3.524 1.00 0.00 H new ATOM 96 N GLY A 6 16.118 -9.169 -5.064 1.00 0.00 N ATOM 97 CA GLY A 6 17.203 -9.027 -6.070 1.00 0.00 C ATOM 98 C GLY A 6 18.627 -8.865 -5.500 1.00 0.00 C ATOM 99 O GLY A 6 18.865 -8.897 -4.290 1.00 0.00 O ATOM 0 H GLY A 6 16.417 -9.575 -4.177 1.00 0.00 H new ATOM 0 HA2 GLY A 6 17.189 -9.903 -6.719 1.00 0.00 H new ATOM 0 HA3 GLY A 6 16.982 -8.163 -6.696 1.00 0.00 H new ATOM 103 N TYR A 7 19.581 -8.688 -6.423 1.00 0.00 N ATOM 104 CA TYR A 7 21.015 -8.470 -6.094 1.00 0.00 C ATOM 105 C TYR A 7 21.380 -6.968 -6.321 1.00 0.00 C ATOM 106 O TYR A 7 21.207 -6.429 -7.422 1.00 0.00 O ATOM 107 CB TYR A 7 21.875 -9.437 -6.960 1.00 0.00 C ATOM 108 CG TYR A 7 23.315 -9.668 -6.458 1.00 0.00 C ATOM 109 CD1 TYR A 7 24.312 -8.720 -6.707 1.00 0.00 C ATOM 110 CD2 TYR A 7 23.650 -10.841 -5.773 1.00 0.00 C ATOM 111 CE1 TYR A 7 25.620 -8.942 -6.289 1.00 0.00 C ATOM 112 CE2 TYR A 7 24.956 -11.052 -5.331 1.00 0.00 C ATOM 113 CZ TYR A 7 25.939 -10.101 -5.588 1.00 0.00 C ATOM 114 OH TYR A 7 27.216 -10.299 -5.126 1.00 0.00 O ATOM 0 H TYR A 7 19.390 -8.690 -7.425 1.00 0.00 H new ATOM 0 HA TYR A 7 21.217 -8.690 -5.046 1.00 0.00 H new ATOM 0 HB2 TYR A 7 21.367 -10.400 -7.012 1.00 0.00 H new ATOM 0 HB3 TYR A 7 21.921 -9.045 -7.976 1.00 0.00 H new ATOM 0 HD1 TYR A 7 24.064 -7.807 -7.229 1.00 0.00 H new ATOM 0 HD2 TYR A 7 22.893 -11.588 -5.585 1.00 0.00 H new ATOM 0 HE1 TYR A 7 26.388 -8.215 -6.508 1.00 0.00 H new ATOM 0 HE2 TYR A 7 25.204 -11.953 -4.790 1.00 0.00 H new ATOM 0 HH TYR A 7 27.680 -9.438 -5.066 1.00 0.00 H new ATOM 124 N TRP A 8 21.891 -6.311 -5.270 1.00 0.00 N ATOM 125 CA TRP A 8 22.091 -4.837 -5.245 1.00 0.00 C ATOM 126 C TRP A 8 23.595 -4.505 -4.958 1.00 0.00 C ATOM 127 O TRP A 8 24.155 -4.954 -3.952 1.00 0.00 O ATOM 128 CB TRP A 8 21.164 -4.213 -4.158 1.00 0.00 C ATOM 129 CG TRP A 8 19.648 -4.465 -4.265 1.00 0.00 C ATOM 130 CD1 TRP A 8 18.974 -5.603 -3.764 1.00 0.00 C ATOM 131 CD2 TRP A 8 18.655 -3.659 -4.798 1.00 0.00 C ATOM 132 NE1 TRP A 8 17.595 -5.546 -4.012 1.00 0.00 N ATOM 133 CE2 TRP A 8 17.416 -4.332 -4.640 1.00 0.00 C ATOM 134 CE3 TRP A 8 18.695 -2.364 -5.372 1.00 0.00 C ATOM 135 CZ2 TRP A 8 16.214 -3.723 -5.061 1.00 0.00 C ATOM 136 CZ3 TRP A 8 17.493 -1.780 -5.780 1.00 0.00 C ATOM 137 CH2 TRP A 8 16.273 -2.450 -5.631 1.00 0.00 C ATOM 0 H TRP A 8 22.180 -6.777 -4.410 1.00 0.00 H new ATOM 0 HA TRP A 8 21.832 -4.412 -6.215 1.00 0.00 H new ATOM 0 HB2 TRP A 8 21.495 -4.580 -3.187 1.00 0.00 H new ATOM 0 HB3 TRP A 8 21.324 -3.135 -4.163 1.00 0.00 H new ATOM 0 HD1 TRP A 8 19.463 -6.418 -3.252 1.00 0.00 H new ATOM 0 HE1 TRP A 8 16.887 -6.243 -3.781 1.00 0.00 H new ATOM 0 HE3 TRP A 8 19.632 -1.841 -5.491 1.00 0.00 H new ATOM 0 HZ2 TRP A 8 15.268 -4.231 -4.945 1.00 0.00 H new ATOM 0 HZ3 TRP A 8 17.505 -0.793 -6.219 1.00 0.00 H new ATOM 0 HH2 TRP A 8 15.362 -1.974 -5.963 1.00 0.00 H new ATOM 148 N LYS A 9 24.244 -3.698 -5.816 1.00 0.00 N ATOM 149 CA LYS A 9 25.666 -3.264 -5.628 1.00 0.00 C ATOM 150 C LYS A 9 25.797 -1.876 -4.921 1.00 0.00 C ATOM 151 O LYS A 9 25.054 -0.953 -5.263 1.00 0.00 O ATOM 152 CB LYS A 9 26.398 -3.270 -7.004 1.00 0.00 C ATOM 153 CG LYS A 9 25.957 -2.214 -8.053 1.00 0.00 C ATOM 154 CD LYS A 9 26.860 -2.168 -9.297 1.00 0.00 C ATOM 155 CE LYS A 9 26.336 -1.165 -10.336 1.00 0.00 C ATOM 156 NZ LYS A 9 27.231 -1.129 -11.507 1.00 0.00 N ATOM 0 H LYS A 9 23.812 -3.322 -6.660 1.00 0.00 H new ATOM 0 HA LYS A 9 26.142 -3.980 -4.958 1.00 0.00 H new ATOM 0 HB2 LYS A 9 27.464 -3.136 -6.819 1.00 0.00 H new ATOM 0 HB3 LYS A 9 26.273 -4.258 -7.448 1.00 0.00 H new ATOM 0 HG2 LYS A 9 24.935 -2.428 -8.364 1.00 0.00 H new ATOM 0 HG3 LYS A 9 25.948 -1.230 -7.584 1.00 0.00 H new ATOM 0 HD2 LYS A 9 27.873 -1.893 -9.003 1.00 0.00 H new ATOM 0 HD3 LYS A 9 26.916 -3.161 -9.744 1.00 0.00 H new ATOM 0 HE2 LYS A 9 25.330 -1.445 -10.647 1.00 0.00 H new ATOM 0 HE3 LYS A 9 26.267 -0.172 -9.891 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 26.866 -0.447 -12.202 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 28.184 -0.841 -11.207 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 27.275 -2.074 -11.939 1.00 0.00 H new ATOM 169 N MET A 10 26.763 -1.676 -4.001 1.00 0.00 N ATOM 170 CA MET A 10 27.003 -0.338 -3.377 1.00 0.00 C ATOM 171 C MET A 10 27.605 0.717 -4.366 1.00 0.00 C ATOM 172 O MET A 10 28.630 0.487 -5.015 1.00 0.00 O ATOM 173 CB MET A 10 27.905 -0.520 -2.131 1.00 0.00 C ATOM 174 CG MET A 10 28.100 0.756 -1.281 1.00 0.00 C ATOM 175 SD MET A 10 29.205 0.429 0.099 1.00 0.00 S ATOM 176 CE MET A 10 28.040 -0.259 1.277 1.00 0.00 C ATOM 0 H MET A 10 27.389 -2.410 -3.670 1.00 0.00 H new ATOM 0 HA MET A 10 26.035 0.068 -3.084 1.00 0.00 H new ATOM 0 HB2 MET A 10 27.476 -1.298 -1.500 1.00 0.00 H new ATOM 0 HB3 MET A 10 28.883 -0.876 -2.456 1.00 0.00 H new ATOM 0 HG2 MET A 10 28.509 1.554 -1.901 1.00 0.00 H new ATOM 0 HG3 MET A 10 27.136 1.103 -0.909 1.00 0.00 H new ATOM 0 HE1 MET A 10 28.520 -0.353 2.251 1.00 0.00 H new ATOM 0 HE2 MET A 10 27.175 0.400 1.361 1.00 0.00 H new ATOM 0 HE3 MET A 10 27.716 -1.242 0.936 1.00 0.00 H new ATOM 186 N LEU A 11 26.974 1.899 -4.406 1.00 0.00 N ATOM 187 CA LEU A 11 27.510 3.093 -5.112 1.00 0.00 C ATOM 188 C LEU A 11 28.321 4.041 -4.164 1.00 0.00 C ATOM 189 O LEU A 11 29.487 4.322 -4.451 1.00 0.00 O ATOM 190 CB LEU A 11 26.348 3.845 -5.832 1.00 0.00 C ATOM 191 CG LEU A 11 25.545 3.104 -6.935 1.00 0.00 C ATOM 192 CD1 LEU A 11 24.467 4.047 -7.499 1.00 0.00 C ATOM 193 CD2 LEU A 11 26.425 2.593 -8.091 1.00 0.00 C ATOM 0 H LEU A 11 26.076 2.064 -3.952 1.00 0.00 H new ATOM 0 HA LEU A 11 28.222 2.749 -5.862 1.00 0.00 H new ATOM 0 HB2 LEU A 11 25.640 4.166 -5.068 1.00 0.00 H new ATOM 0 HB3 LEU A 11 26.766 4.747 -6.278 1.00 0.00 H new ATOM 0 HG LEU A 11 25.097 2.228 -6.465 1.00 0.00 H new ATOM 0 HD11 LEU A 11 23.901 3.530 -8.274 1.00 0.00 H new ATOM 0 HD12 LEU A 11 23.793 4.349 -6.698 1.00 0.00 H new ATOM 0 HD13 LEU A 11 24.943 4.930 -7.925 1.00 0.00 H new ATOM 0 HD21 LEU A 11 25.801 2.085 -8.826 1.00 0.00 H new ATOM 0 HD22 LEU A 11 26.930 3.435 -8.564 1.00 0.00 H new ATOM 0 HD23 LEU A 11 27.168 1.896 -7.702 1.00 0.00 H new ATOM 205 N SER A 12 27.722 4.566 -3.072 1.00 0.00 N ATOM 206 CA SER A 12 28.302 5.701 -2.293 1.00 0.00 C ATOM 207 C SER A 12 28.150 5.536 -0.752 1.00 0.00 C ATOM 208 O SER A 12 27.037 5.343 -0.252 1.00 0.00 O ATOM 209 CB SER A 12 27.640 7.024 -2.749 1.00 0.00 C ATOM 210 OG SER A 12 26.249 7.079 -2.418 1.00 0.00 O ATOM 0 H SER A 12 26.834 4.226 -2.703 1.00 0.00 H new ATOM 0 HA SER A 12 29.373 5.714 -2.496 1.00 0.00 H new ATOM 0 HB2 SER A 12 28.155 7.864 -2.284 1.00 0.00 H new ATOM 0 HB3 SER A 12 27.759 7.134 -3.827 1.00 0.00 H new ATOM 0 HG SER A 12 26.083 6.548 -1.611 1.00 0.00 H new ATOM 216 N ASN A 13 29.257 5.710 -0.011 1.00 0.00 N ATOM 217 CA ASN A 13 29.275 5.665 1.477 1.00 0.00 C ATOM 218 C ASN A 13 29.340 7.118 2.064 1.00 0.00 C ATOM 219 O ASN A 13 30.410 7.621 2.424 1.00 0.00 O ATOM 220 CB ASN A 13 30.507 4.813 1.894 1.00 0.00 C ATOM 221 CG ASN A 13 30.469 3.318 1.566 1.00 0.00 C ATOM 222 OD1 ASN A 13 30.715 2.906 0.438 1.00 0.00 O ATOM 223 ND2 ASN A 13 30.179 2.461 2.514 1.00 0.00 N ATOM 0 H ASN A 13 30.174 5.887 -0.421 1.00 0.00 H new ATOM 0 HA ASN A 13 28.365 5.213 1.872 1.00 0.00 H new ATOM 0 HB2 ASN A 13 31.390 5.241 1.418 1.00 0.00 H new ATOM 0 HB3 ASN A 13 30.642 4.919 2.970 1.00 0.00 H new ATOM 0 HD21 ASN A 13 30.160 1.462 2.310 1.00 0.00 H new ATOM 0 HD22 ASN A 13 29.973 2.793 3.456 1.00 0.00 H new ATOM 230 N GLU A 14 28.192 7.813 2.151 1.00 0.00 N ATOM 231 CA GLU A 14 28.148 9.262 2.494 1.00 0.00 C ATOM 232 C GLU A 14 27.935 9.468 4.025 1.00 0.00 C ATOM 233 O GLU A 14 26.888 9.109 4.570 1.00 0.00 O ATOM 234 CB GLU A 14 27.050 9.908 1.602 1.00 0.00 C ATOM 235 CG GLU A 14 26.811 11.433 1.754 1.00 0.00 C ATOM 236 CD GLU A 14 28.014 12.321 1.434 1.00 0.00 C ATOM 237 OE1 GLU A 14 28.342 12.628 0.292 1.00 0.00 O ATOM 238 OE2 GLU A 14 28.677 12.716 2.561 1.00 0.00 O ATOM 0 H GLU A 14 27.274 7.400 1.989 1.00 0.00 H new ATOM 0 HA GLU A 14 29.096 9.758 2.286 1.00 0.00 H new ATOM 0 HB2 GLU A 14 27.302 9.709 0.560 1.00 0.00 H new ATOM 0 HB3 GLU A 14 26.108 9.398 1.805 1.00 0.00 H new ATOM 0 HG2 GLU A 14 25.985 11.721 1.103 1.00 0.00 H new ATOM 0 HG3 GLU A 14 26.495 11.634 2.778 1.00 0.00 H new ATOM 246 N ASN A 15 28.940 10.042 4.720 1.00 0.00 N ATOM 247 CA ASN A 15 28.969 10.134 6.223 1.00 0.00 C ATOM 248 C ASN A 15 29.015 8.771 7.019 1.00 0.00 C ATOM 249 O ASN A 15 28.631 8.707 8.191 1.00 0.00 O ATOM 250 CB ASN A 15 27.893 11.166 6.693 1.00 0.00 C ATOM 251 CG ASN A 15 28.157 11.826 8.047 1.00 0.00 C ATOM 252 OD1 ASN A 15 29.214 12.403 8.277 1.00 0.00 O ATOM 253 ND2 ASN A 15 27.220 11.805 8.965 1.00 0.00 N ATOM 0 H ASN A 15 29.757 10.457 4.272 1.00 0.00 H new ATOM 0 HA ASN A 15 29.951 10.516 6.503 1.00 0.00 H new ATOM 0 HB2 ASN A 15 27.811 11.948 5.938 1.00 0.00 H new ATOM 0 HB3 ASN A 15 26.927 10.662 6.737 1.00 0.00 H new ATOM 0 HD21 ASN A 15 27.374 12.266 9.862 1.00 0.00 H new ATOM 0 HD22 ASN A 15 26.338 11.327 8.782 1.00 0.00 H new ATOM 260 N PHE A 16 29.568 7.700 6.413 1.00 0.00 N ATOM 261 CA PHE A 16 29.682 6.359 7.052 1.00 0.00 C ATOM 262 C PHE A 16 30.707 6.268 8.229 1.00 0.00 C ATOM 263 O PHE A 16 30.333 5.796 9.304 1.00 0.00 O ATOM 264 CB PHE A 16 29.897 5.331 5.905 1.00 0.00 C ATOM 265 CG PHE A 16 29.850 3.837 6.282 1.00 0.00 C ATOM 266 CD1 PHE A 16 28.762 3.294 6.976 1.00 0.00 C ATOM 267 CD2 PHE A 16 30.887 2.992 5.875 1.00 0.00 C ATOM 268 CE1 PHE A 16 28.729 1.935 7.281 1.00 0.00 C ATOM 269 CE2 PHE A 16 30.831 1.628 6.146 1.00 0.00 C ATOM 270 CZ PHE A 16 29.756 1.101 6.853 1.00 0.00 C ATOM 0 H PHE A 16 29.950 7.733 5.468 1.00 0.00 H new ATOM 0 HA PHE A 16 28.759 6.126 7.584 1.00 0.00 H new ATOM 0 HB2 PHE A 16 29.139 5.511 5.143 1.00 0.00 H new ATOM 0 HB3 PHE A 16 30.865 5.534 5.446 1.00 0.00 H new ATOM 0 HD1 PHE A 16 27.944 3.932 7.276 1.00 0.00 H new ATOM 0 HD2 PHE A 16 31.736 3.400 5.347 1.00 0.00 H new ATOM 0 HE1 PHE A 16 27.906 1.529 7.850 1.00 0.00 H new ATOM 0 HE2 PHE A 16 31.624 0.978 5.807 1.00 0.00 H new ATOM 0 HZ PHE A 16 29.719 0.044 7.070 1.00 0.00 H new ATOM 280 N GLU A 17 31.956 6.748 8.074 1.00 0.00 N ATOM 281 CA GLU A 17 32.943 6.810 9.199 1.00 0.00 C ATOM 282 C GLU A 17 32.549 7.701 10.427 1.00 0.00 C ATOM 283 O GLU A 17 32.839 7.301 11.557 1.00 0.00 O ATOM 284 CB GLU A 17 34.348 7.179 8.654 1.00 0.00 C ATOM 285 CG GLU A 17 34.966 6.111 7.718 1.00 0.00 C ATOM 286 CD GLU A 17 36.351 6.435 7.158 1.00 0.00 C ATOM 287 OE1 GLU A 17 36.759 7.575 6.952 1.00 0.00 O ATOM 288 OE2 GLU A 17 37.060 5.305 6.869 1.00 0.00 O ATOM 0 H GLU A 17 32.316 7.101 7.187 1.00 0.00 H new ATOM 0 HA GLU A 17 32.949 5.804 9.618 1.00 0.00 H new ATOM 0 HB2 GLU A 17 34.279 8.123 8.114 1.00 0.00 H new ATOM 0 HB3 GLU A 17 35.021 7.341 9.496 1.00 0.00 H new ATOM 0 HG2 GLU A 17 35.027 5.169 8.264 1.00 0.00 H new ATOM 0 HG3 GLU A 17 34.285 5.951 6.882 1.00 0.00 H new ATOM 296 N GLU A 18 31.858 8.849 10.248 1.00 0.00 N ATOM 297 CA GLU A 18 31.222 9.590 11.381 1.00 0.00 C ATOM 298 C GLU A 18 30.074 8.813 12.130 1.00 0.00 C ATOM 299 O GLU A 18 30.034 8.815 13.362 1.00 0.00 O ATOM 300 CB GLU A 18 30.757 10.964 10.832 1.00 0.00 C ATOM 301 CG GLU A 18 30.473 12.037 11.912 1.00 0.00 C ATOM 302 CD GLU A 18 29.805 13.289 11.351 1.00 0.00 C ATOM 303 OE1 GLU A 18 28.588 13.434 11.264 1.00 0.00 O ATOM 304 OE2 GLU A 18 30.709 14.223 10.946 1.00 0.00 O ATOM 0 H GLU A 18 31.722 9.288 9.337 1.00 0.00 H new ATOM 0 HA GLU A 18 31.967 9.717 12.167 1.00 0.00 H new ATOM 0 HB2 GLU A 18 31.521 11.345 10.154 1.00 0.00 H new ATOM 0 HB3 GLU A 18 29.853 10.816 10.242 1.00 0.00 H new ATOM 0 HG2 GLU A 18 29.835 11.607 12.684 1.00 0.00 H new ATOM 0 HG3 GLU A 18 31.410 12.317 12.393 1.00 0.00 H new ATOM 312 N TYR A 19 29.174 8.134 11.391 1.00 0.00 N ATOM 313 CA TYR A 19 28.237 7.107 11.942 1.00 0.00 C ATOM 314 C TYR A 19 28.926 5.919 12.703 1.00 0.00 C ATOM 315 O TYR A 19 28.533 5.620 13.832 1.00 0.00 O ATOM 316 CB TYR A 19 27.321 6.689 10.748 1.00 0.00 C ATOM 317 CG TYR A 19 26.542 5.367 10.864 1.00 0.00 C ATOM 318 CD1 TYR A 19 25.377 5.277 11.629 1.00 0.00 C ATOM 319 CD2 TYR A 19 27.045 4.218 10.240 1.00 0.00 C ATOM 320 CE1 TYR A 19 24.721 4.054 11.762 1.00 0.00 C ATOM 321 CE2 TYR A 19 26.383 3.001 10.368 1.00 0.00 C ATOM 322 CZ TYR A 19 25.219 2.923 11.123 1.00 0.00 C ATOM 323 OH TYR A 19 24.557 1.730 11.236 1.00 0.00 O ATOM 0 H TYR A 19 29.068 8.276 10.387 1.00 0.00 H new ATOM 0 HA TYR A 19 27.640 7.528 12.751 1.00 0.00 H new ATOM 0 HB2 TYR A 19 26.599 7.489 10.585 1.00 0.00 H new ATOM 0 HB3 TYR A 19 27.942 6.633 9.854 1.00 0.00 H new ATOM 0 HD1 TYR A 19 24.984 6.156 12.118 1.00 0.00 H new ATOM 0 HD2 TYR A 19 27.952 4.277 9.656 1.00 0.00 H new ATOM 0 HE1 TYR A 19 23.825 3.985 12.362 1.00 0.00 H new ATOM 0 HE2 TYR A 19 26.773 2.119 9.882 1.00 0.00 H new ATOM 0 HH TYR A 19 24.237 1.448 10.353 1.00 0.00 H new ATOM 333 N LEU A 20 29.936 5.255 12.111 1.00 0.00 N ATOM 334 CA LEU A 20 30.736 4.206 12.808 1.00 0.00 C ATOM 335 C LEU A 20 31.524 4.698 14.077 1.00 0.00 C ATOM 336 O LEU A 20 31.508 4.017 15.105 1.00 0.00 O ATOM 337 CB LEU A 20 31.664 3.501 11.779 1.00 0.00 C ATOM 338 CG LEU A 20 31.044 2.726 10.582 1.00 0.00 C ATOM 339 CD1 LEU A 20 32.169 2.217 9.665 1.00 0.00 C ATOM 340 CD2 LEU A 20 30.162 1.534 10.993 1.00 0.00 C ATOM 0 H LEU A 20 30.226 5.421 11.147 1.00 0.00 H new ATOM 0 HA LEU A 20 30.022 3.491 13.217 1.00 0.00 H new ATOM 0 HB2 LEU A 20 32.327 4.261 11.366 1.00 0.00 H new ATOM 0 HB3 LEU A 20 32.289 2.799 12.332 1.00 0.00 H new ATOM 0 HG LEU A 20 30.394 3.434 10.068 1.00 0.00 H new ATOM 0 HD11 LEU A 20 31.736 1.673 8.825 1.00 0.00 H new ATOM 0 HD12 LEU A 20 32.745 3.064 9.291 1.00 0.00 H new ATOM 0 HD13 LEU A 20 32.825 1.553 10.228 1.00 0.00 H new ATOM 0 HD21 LEU A 20 29.768 1.048 10.100 1.00 0.00 H new ATOM 0 HD22 LEU A 20 30.757 0.820 11.563 1.00 0.00 H new ATOM 0 HD23 LEU A 20 29.335 1.888 11.608 1.00 0.00 H new ATOM 352 N ARG A 21 32.140 5.896 14.047 1.00 0.00 N ATOM 353 CA ARG A 21 32.588 6.632 15.271 1.00 0.00 C ATOM 354 C ARG A 21 31.489 6.806 16.385 1.00 0.00 C ATOM 355 O ARG A 21 31.728 6.428 17.535 1.00 0.00 O ATOM 356 CB ARG A 21 33.173 7.971 14.748 1.00 0.00 C ATOM 357 CG ARG A 21 33.756 8.938 15.812 1.00 0.00 C ATOM 358 CD ARG A 21 33.721 10.424 15.394 1.00 0.00 C ATOM 359 NE ARG A 21 32.325 10.940 15.263 1.00 0.00 N ATOM 360 CZ ARG A 21 31.574 11.416 16.254 1.00 0.00 C ATOM 361 NH1 ARG A 21 32.002 11.621 17.480 1.00 0.00 N ATOM 362 NH2 ARG A 21 30.327 11.693 15.988 1.00 0.00 N ATOM 0 H ARG A 21 32.346 6.390 13.179 1.00 0.00 H new ATOM 0 HA ARG A 21 33.336 6.051 15.810 1.00 0.00 H new ATOM 0 HB2 ARG A 21 33.960 7.741 14.029 1.00 0.00 H new ATOM 0 HB3 ARG A 21 32.388 8.496 14.204 1.00 0.00 H new ATOM 0 HG2 ARG A 21 33.198 8.819 16.741 1.00 0.00 H new ATOM 0 HG3 ARG A 21 34.787 8.654 16.021 1.00 0.00 H new ATOM 0 HD2 ARG A 21 34.259 11.020 16.131 1.00 0.00 H new ATOM 0 HD3 ARG A 21 34.242 10.545 14.444 1.00 0.00 H new ATOM 0 HE ARG A 21 31.910 10.926 14.331 1.00 0.00 H new ATOM 0 HH11 ARG A 21 32.970 11.412 17.724 1.00 0.00 H new ATOM 0 HH12 ARG A 21 31.366 11.989 18.187 1.00 0.00 H new ATOM 0 HH21 ARG A 21 29.961 11.543 15.048 1.00 0.00 H new ATOM 0 HH22 ARG A 21 29.719 12.060 16.720 1.00 0.00 H new ATOM 376 N ALA A 22 30.281 7.299 16.044 1.00 0.00 N ATOM 377 CA ALA A 22 29.099 7.275 16.950 1.00 0.00 C ATOM 378 C ALA A 22 28.560 5.882 17.442 1.00 0.00 C ATOM 379 O ALA A 22 27.873 5.832 18.467 1.00 0.00 O ATOM 380 CB ALA A 22 28.002 8.063 16.211 1.00 0.00 C ATOM 0 H ALA A 22 30.091 7.725 15.137 1.00 0.00 H new ATOM 0 HA ALA A 22 29.418 7.712 17.896 1.00 0.00 H new ATOM 0 HB1 ALA A 22 27.098 8.087 16.820 1.00 0.00 H new ATOM 0 HB2 ALA A 22 28.345 9.082 16.030 1.00 0.00 H new ATOM 0 HB3 ALA A 22 27.785 7.579 15.259 1.00 0.00 H new ATOM 386 N LEU A 23 28.892 4.769 16.763 1.00 0.00 N ATOM 387 CA LEU A 23 28.710 3.387 17.299 1.00 0.00 C ATOM 388 C LEU A 23 29.886 2.825 18.177 1.00 0.00 C ATOM 389 O LEU A 23 29.821 1.671 18.606 1.00 0.00 O ATOM 390 CB LEU A 23 28.498 2.468 16.064 1.00 0.00 C ATOM 391 CG LEU A 23 27.155 2.620 15.305 1.00 0.00 C ATOM 392 CD1 LEU A 23 27.271 2.016 13.903 1.00 0.00 C ATOM 393 CD2 LEU A 23 26.002 1.948 16.065 1.00 0.00 C ATOM 0 H LEU A 23 29.295 4.791 15.826 1.00 0.00 H new ATOM 0 HA LEU A 23 27.864 3.414 17.985 1.00 0.00 H new ATOM 0 HB2 LEU A 23 29.309 2.652 15.360 1.00 0.00 H new ATOM 0 HB3 LEU A 23 28.589 1.432 16.391 1.00 0.00 H new ATOM 0 HG LEU A 23 26.936 3.685 15.226 1.00 0.00 H new ATOM 0 HD11 LEU A 23 26.322 2.128 13.379 1.00 0.00 H new ATOM 0 HD12 LEU A 23 28.055 2.532 13.348 1.00 0.00 H new ATOM 0 HD13 LEU A 23 27.519 0.957 13.982 1.00 0.00 H new ATOM 0 HD21 LEU A 23 25.075 2.073 15.505 1.00 0.00 H new ATOM 0 HD22 LEU A 23 26.214 0.885 16.182 1.00 0.00 H new ATOM 0 HD23 LEU A 23 25.897 2.408 17.048 1.00 0.00 H new ATOM 405 N ASP A 24 30.953 3.604 18.436 1.00 0.00 N ATOM 406 CA ASP A 24 32.227 3.121 19.057 1.00 0.00 C ATOM 407 C ASP A 24 32.993 2.018 18.238 1.00 0.00 C ATOM 408 O ASP A 24 33.476 1.025 18.792 1.00 0.00 O ATOM 409 CB ASP A 24 32.032 2.778 20.564 1.00 0.00 C ATOM 410 CG ASP A 24 31.668 3.954 21.475 1.00 0.00 C ATOM 411 OD1 ASP A 24 32.175 5.068 21.398 1.00 0.00 O ATOM 412 OD2 ASP A 24 30.729 3.619 22.401 1.00 0.00 O ATOM 0 H ASP A 24 30.967 4.601 18.222 1.00 0.00 H new ATOM 0 HA ASP A 24 32.916 3.965 19.012 1.00 0.00 H new ATOM 0 HB2 ASP A 24 31.250 2.023 20.647 1.00 0.00 H new ATOM 0 HB3 ASP A 24 32.952 2.326 20.936 1.00 0.00 H new ATOM 418 N VAL A 25 33.149 2.230 16.918 1.00 0.00 N ATOM 419 CA VAL A 25 33.913 1.304 16.024 1.00 0.00 C ATOM 420 C VAL A 25 35.390 1.814 15.911 1.00 0.00 C ATOM 421 O VAL A 25 35.644 3.001 15.680 1.00 0.00 O ATOM 422 CB VAL A 25 33.203 1.205 14.630 1.00 0.00 C ATOM 423 CG1 VAL A 25 33.950 0.341 13.587 1.00 0.00 C ATOM 424 CG2 VAL A 25 31.757 0.657 14.693 1.00 0.00 C ATOM 0 H VAL A 25 32.757 3.037 16.433 1.00 0.00 H new ATOM 0 HA VAL A 25 33.937 0.297 16.440 1.00 0.00 H new ATOM 0 HB VAL A 25 33.201 2.249 14.316 1.00 0.00 H new ATOM 0 HG11 VAL A 25 33.387 0.329 12.654 1.00 0.00 H new ATOM 0 HG12 VAL A 25 34.940 0.761 13.408 1.00 0.00 H new ATOM 0 HG13 VAL A 25 34.051 -0.677 13.963 1.00 0.00 H new ATOM 0 HG21 VAL A 25 31.338 0.620 13.688 1.00 0.00 H new ATOM 0 HG22 VAL A 25 31.766 -0.346 15.119 1.00 0.00 H new ATOM 0 HG23 VAL A 25 31.147 1.310 15.317 1.00 0.00 H new ATOM 434 N ASN A 26 36.369 0.901 16.022 1.00 0.00 N ATOM 435 CA ASN A 26 37.816 1.236 15.914 1.00 0.00 C ATOM 436 C ASN A 26 38.299 1.690 14.495 1.00 0.00 C ATOM 437 O ASN A 26 37.819 1.194 13.470 1.00 0.00 O ATOM 438 CB ASN A 26 38.637 0.028 16.454 1.00 0.00 C ATOM 439 CG ASN A 26 38.405 -1.340 15.789 1.00 0.00 C ATOM 440 OD1 ASN A 26 37.456 -2.054 16.086 1.00 0.00 O ATOM 441 ND2 ASN A 26 39.229 -1.725 14.852 1.00 0.00 N ATOM 0 H ASN A 26 36.190 -0.089 16.189 1.00 0.00 H new ATOM 0 HA ASN A 26 37.986 2.124 16.522 1.00 0.00 H new ATOM 0 HB2 ASN A 26 39.695 0.272 16.362 1.00 0.00 H new ATOM 0 HB3 ASN A 26 38.425 -0.075 17.518 1.00 0.00 H new ATOM 0 HD21 ASN A 26 39.079 -2.614 14.375 1.00 0.00 H new ATOM 0 HD22 ASN A 26 40.023 -1.137 14.598 1.00 0.00 H new ATOM 448 N VAL A 27 39.300 2.593 14.461 1.00 0.00 N ATOM 449 CA VAL A 27 39.820 3.242 13.206 1.00 0.00 C ATOM 450 C VAL A 27 40.157 2.266 12.020 1.00 0.00 C ATOM 451 O VAL A 27 39.758 2.542 10.886 1.00 0.00 O ATOM 452 CB VAL A 27 41.023 4.209 13.533 1.00 0.00 C ATOM 453 CG1 VAL A 27 41.500 5.037 12.311 1.00 0.00 C ATOM 454 CG2 VAL A 27 40.762 5.239 14.661 1.00 0.00 C ATOM 0 H VAL A 27 39.785 2.905 15.302 1.00 0.00 H new ATOM 0 HA VAL A 27 38.981 3.825 12.825 1.00 0.00 H new ATOM 0 HB VAL A 27 41.781 3.497 13.858 1.00 0.00 H new ATOM 0 HG11 VAL A 27 42.329 5.680 12.608 1.00 0.00 H new ATOM 0 HG12 VAL A 27 41.829 4.362 11.521 1.00 0.00 H new ATOM 0 HG13 VAL A 27 40.678 5.652 11.945 1.00 0.00 H new ATOM 0 HG21 VAL A 27 41.651 5.853 14.806 1.00 0.00 H new ATOM 0 HG22 VAL A 27 39.922 5.876 14.385 1.00 0.00 H new ATOM 0 HG23 VAL A 27 40.530 4.713 15.587 1.00 0.00 H new ATOM 464 N ALA A 28 40.843 1.133 12.271 1.00 0.00 N ATOM 465 CA ALA A 28 41.088 0.092 11.230 1.00 0.00 C ATOM 466 C ALA A 28 39.816 -0.545 10.572 1.00 0.00 C ATOM 467 O ALA A 28 39.742 -0.613 9.343 1.00 0.00 O ATOM 468 CB ALA A 28 42.030 -0.959 11.847 1.00 0.00 C ATOM 0 H ALA A 28 41.241 0.908 13.183 1.00 0.00 H new ATOM 0 HA ALA A 28 41.548 0.586 10.374 1.00 0.00 H new ATOM 0 HB1 ALA A 28 42.234 -1.740 11.114 1.00 0.00 H new ATOM 0 HB2 ALA A 28 42.966 -0.482 12.139 1.00 0.00 H new ATOM 0 HB3 ALA A 28 41.558 -1.400 12.725 1.00 0.00 H new ATOM 474 N LEU A 29 38.800 -0.942 11.365 1.00 0.00 N ATOM 475 CA LEU A 29 37.455 -1.328 10.840 1.00 0.00 C ATOM 476 C LEU A 29 36.679 -0.162 10.127 1.00 0.00 C ATOM 477 O LEU A 29 36.157 -0.377 9.030 1.00 0.00 O ATOM 478 CB LEU A 29 36.672 -1.995 12.015 1.00 0.00 C ATOM 479 CG LEU A 29 35.538 -3.010 11.705 1.00 0.00 C ATOM 480 CD1 LEU A 29 34.359 -2.447 10.896 1.00 0.00 C ATOM 481 CD2 LEU A 29 36.062 -4.291 11.036 1.00 0.00 C ATOM 0 H LEU A 29 38.877 -1.007 12.380 1.00 0.00 H new ATOM 0 HA LEU A 29 37.574 -2.044 10.027 1.00 0.00 H new ATOM 0 HB2 LEU A 29 37.401 -2.504 12.645 1.00 0.00 H new ATOM 0 HB3 LEU A 29 36.238 -1.194 12.613 1.00 0.00 H new ATOM 0 HG LEU A 29 35.144 -3.252 12.692 1.00 0.00 H new ATOM 0 HD11 LEU A 29 33.622 -3.233 10.732 1.00 0.00 H new ATOM 0 HD12 LEU A 29 33.899 -1.627 11.447 1.00 0.00 H new ATOM 0 HD13 LEU A 29 34.719 -2.081 9.934 1.00 0.00 H new ATOM 0 HD21 LEU A 29 35.229 -4.966 10.841 1.00 0.00 H new ATOM 0 HD22 LEU A 29 36.551 -4.037 10.096 1.00 0.00 H new ATOM 0 HD23 LEU A 29 36.778 -4.780 11.697 1.00 0.00 H new ATOM 493 N ARG A 30 36.659 1.072 10.682 1.00 0.00 N ATOM 494 CA ARG A 30 36.189 2.294 9.951 1.00 0.00 C ATOM 495 C ARG A 30 36.862 2.582 8.561 1.00 0.00 C ATOM 496 O ARG A 30 36.169 2.977 7.618 1.00 0.00 O ATOM 497 CB ARG A 30 36.288 3.567 10.840 1.00 0.00 C ATOM 498 CG ARG A 30 35.597 3.533 12.226 1.00 0.00 C ATOM 499 CD ARG A 30 35.211 4.895 12.835 1.00 0.00 C ATOM 500 NE ARG A 30 36.327 5.877 12.924 1.00 0.00 N ATOM 501 CZ ARG A 30 36.851 6.357 14.047 1.00 0.00 C ATOM 502 NH1 ARG A 30 36.634 5.868 15.248 1.00 0.00 N ATOM 503 NH2 ARG A 30 37.644 7.387 13.944 1.00 0.00 N ATOM 0 H ARG A 30 36.963 1.258 11.638 1.00 0.00 H new ATOM 0 HA ARG A 30 35.150 2.053 9.726 1.00 0.00 H new ATOM 0 HB2 ARG A 30 37.344 3.785 10.997 1.00 0.00 H new ATOM 0 HB3 ARG A 30 35.871 4.402 10.278 1.00 0.00 H new ATOM 0 HG2 ARG A 30 34.694 2.928 12.142 1.00 0.00 H new ATOM 0 HG3 ARG A 30 36.259 3.022 12.925 1.00 0.00 H new ATOM 0 HD2 ARG A 30 34.409 5.330 12.238 1.00 0.00 H new ATOM 0 HD3 ARG A 30 34.810 4.730 13.835 1.00 0.00 H new ATOM 0 HE ARG A 30 36.724 6.211 12.046 1.00 0.00 H new ATOM 0 HH11 ARG A 30 36.023 5.060 15.367 1.00 0.00 H new ATOM 0 HH12 ARG A 30 37.076 6.297 16.061 1.00 0.00 H new ATOM 0 HH21 ARG A 30 37.839 7.791 13.028 1.00 0.00 H new ATOM 0 HH22 ARG A 30 38.069 7.789 14.780 1.00 0.00 H new ATOM 517 N LYS A 31 38.188 2.396 8.425 1.00 0.00 N ATOM 518 CA LYS A 31 38.887 2.395 7.107 1.00 0.00 C ATOM 519 C LYS A 31 38.531 1.165 6.207 1.00 0.00 C ATOM 520 O LYS A 31 38.069 1.375 5.085 1.00 0.00 O ATOM 521 CB LYS A 31 40.422 2.550 7.318 1.00 0.00 C ATOM 522 CG LYS A 31 40.930 3.873 7.946 1.00 0.00 C ATOM 523 CD LYS A 31 40.729 5.124 7.066 1.00 0.00 C ATOM 524 CE LYS A 31 41.296 6.393 7.721 1.00 0.00 C ATOM 525 NZ LYS A 31 41.044 7.558 6.852 1.00 0.00 N ATOM 0 H LYS A 31 38.812 2.242 9.217 1.00 0.00 H new ATOM 0 HA LYS A 31 38.523 3.257 6.549 1.00 0.00 H new ATOM 0 HB2 LYS A 31 40.759 1.727 7.949 1.00 0.00 H new ATOM 0 HB3 LYS A 31 40.908 2.429 6.350 1.00 0.00 H new ATOM 0 HG2 LYS A 31 40.419 4.028 8.896 1.00 0.00 H new ATOM 0 HG3 LYS A 31 41.992 3.769 8.169 1.00 0.00 H new ATOM 0 HD2 LYS A 31 41.212 4.969 6.101 1.00 0.00 H new ATOM 0 HD3 LYS A 31 39.665 5.262 6.872 1.00 0.00 H new ATOM 0 HE2 LYS A 31 40.834 6.548 8.696 1.00 0.00 H new ATOM 0 HE3 LYS A 31 42.367 6.279 7.890 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 41.429 8.414 7.299 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 41.505 7.411 5.931 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 40.020 7.672 6.712 1.00 0.00 H new ATOM 538 N ILE A 32 38.688 -0.093 6.674 1.00 0.00 N ATOM 539 CA ILE A 32 38.334 -1.328 5.890 1.00 0.00 C ATOM 540 C ILE A 32 36.852 -1.343 5.362 1.00 0.00 C ATOM 541 O ILE A 32 36.644 -1.537 4.162 1.00 0.00 O ATOM 542 CB ILE A 32 38.757 -2.620 6.693 1.00 0.00 C ATOM 543 CG1 ILE A 32 40.301 -2.728 6.914 1.00 0.00 C ATOM 544 CG2 ILE A 32 38.271 -3.949 6.048 1.00 0.00 C ATOM 545 CD1 ILE A 32 40.737 -3.663 8.058 1.00 0.00 C ATOM 0 H ILE A 32 39.062 -0.296 7.601 1.00 0.00 H new ATOM 0 HA ILE A 32 38.917 -1.318 4.969 1.00 0.00 H new ATOM 0 HB ILE A 32 38.257 -2.491 7.653 1.00 0.00 H new ATOM 0 HG12 ILE A 32 40.761 -3.074 5.988 1.00 0.00 H new ATOM 0 HG13 ILE A 32 40.694 -1.731 7.112 1.00 0.00 H new ATOM 0 HG21 ILE A 32 38.600 -4.791 6.657 1.00 0.00 H new ATOM 0 HG22 ILE A 32 37.183 -3.948 5.989 1.00 0.00 H new ATOM 0 HG23 ILE A 32 38.689 -4.041 5.046 1.00 0.00 H new ATOM 0 HD11 ILE A 32 41.825 -3.668 8.129 1.00 0.00 H new ATOM 0 HD12 ILE A 32 40.314 -3.310 8.998 1.00 0.00 H new ATOM 0 HD13 ILE A 32 40.382 -4.674 7.857 1.00 0.00 H new ATOM 557 N ALA A 33 35.841 -1.113 6.221 1.00 0.00 N ATOM 558 CA ALA A 33 34.424 -1.005 5.784 1.00 0.00 C ATOM 559 C ALA A 33 34.047 0.175 4.832 1.00 0.00 C ATOM 560 O ALA A 33 33.245 -0.032 3.918 1.00 0.00 O ATOM 561 CB ALA A 33 33.574 -1.022 7.069 1.00 0.00 C ATOM 0 H ALA A 33 35.973 -0.997 7.226 1.00 0.00 H new ATOM 0 HA ALA A 33 34.222 -1.853 5.129 1.00 0.00 H new ATOM 0 HB1 ALA A 33 32.518 -0.945 6.808 1.00 0.00 H new ATOM 0 HB2 ALA A 33 33.748 -1.954 7.608 1.00 0.00 H new ATOM 0 HB3 ALA A 33 33.854 -0.180 7.702 1.00 0.00 H new ATOM 567 N ASN A 34 34.605 1.387 5.014 1.00 0.00 N ATOM 568 CA ASN A 34 34.444 2.501 4.031 1.00 0.00 C ATOM 569 C ASN A 34 35.232 2.360 2.682 1.00 0.00 C ATOM 570 O ASN A 34 34.767 2.862 1.657 1.00 0.00 O ATOM 571 CB ASN A 34 34.780 3.819 4.779 1.00 0.00 C ATOM 572 CG ASN A 34 34.172 5.083 4.161 1.00 0.00 C ATOM 573 OD1 ASN A 34 32.961 5.234 4.058 1.00 0.00 O ATOM 574 ND2 ASN A 34 34.963 6.055 3.785 1.00 0.00 N ATOM 0 H ASN A 34 35.172 1.630 5.827 1.00 0.00 H new ATOM 0 HA ASN A 34 33.412 2.484 3.682 1.00 0.00 H new ATOM 0 HB2 ASN A 34 34.435 3.733 5.809 1.00 0.00 H new ATOM 0 HB3 ASN A 34 35.863 3.934 4.814 1.00 0.00 H new ATOM 0 HD21 ASN A 34 34.568 6.919 3.414 1.00 0.00 H new ATOM 0 HD22 ASN A 34 35.974 5.949 3.863 1.00 0.00 H new ATOM 581 N LEU A 35 36.399 1.692 2.674 1.00 0.00 N ATOM 582 CA LEU A 35 37.139 1.352 1.421 1.00 0.00 C ATOM 583 C LEU A 35 36.531 0.176 0.581 1.00 0.00 C ATOM 584 O LEU A 35 36.638 0.198 -0.648 1.00 0.00 O ATOM 585 CB LEU A 35 38.631 1.073 1.775 1.00 0.00 C ATOM 586 CG LEU A 35 39.476 2.273 2.290 1.00 0.00 C ATOM 587 CD1 LEU A 35 40.810 1.776 2.873 1.00 0.00 C ATOM 588 CD2 LEU A 35 39.751 3.317 1.192 1.00 0.00 C ATOM 0 H LEU A 35 36.863 1.370 3.523 1.00 0.00 H new ATOM 0 HA LEU A 35 37.047 2.219 0.766 1.00 0.00 H new ATOM 0 HB2 LEU A 35 38.658 0.291 2.534 1.00 0.00 H new ATOM 0 HB3 LEU A 35 39.120 0.672 0.887 1.00 0.00 H new ATOM 0 HG LEU A 35 38.888 2.760 3.068 1.00 0.00 H new ATOM 0 HD11 LEU A 35 41.391 2.627 3.229 1.00 0.00 H new ATOM 0 HD12 LEU A 35 40.614 1.097 3.703 1.00 0.00 H new ATOM 0 HD13 LEU A 35 41.372 1.251 2.100 1.00 0.00 H new ATOM 0 HD21 LEU A 35 40.344 4.133 1.606 1.00 0.00 H new ATOM 0 HD22 LEU A 35 40.298 2.849 0.374 1.00 0.00 H new ATOM 0 HD23 LEU A 35 38.805 3.710 0.818 1.00 0.00 H new ATOM 600 N LEU A 36 35.911 -0.837 1.215 1.00 0.00 N ATOM 601 CA LEU A 36 35.207 -1.935 0.499 1.00 0.00 C ATOM 602 C LEU A 36 33.767 -1.519 0.052 1.00 0.00 C ATOM 603 O LEU A 36 33.031 -0.855 0.788 1.00 0.00 O ATOM 604 CB LEU A 36 35.158 -3.200 1.409 1.00 0.00 C ATOM 605 CG LEU A 36 36.501 -3.922 1.710 1.00 0.00 C ATOM 606 CD1 LEU A 36 36.278 -5.059 2.722 1.00 0.00 C ATOM 607 CD2 LEU A 36 37.172 -4.495 0.448 1.00 0.00 C ATOM 0 H LEU A 36 35.880 -0.924 2.231 1.00 0.00 H new ATOM 0 HA LEU A 36 35.766 -2.160 -0.410 1.00 0.00 H new ATOM 0 HB2 LEU A 36 34.711 -2.912 2.360 1.00 0.00 H new ATOM 0 HB3 LEU A 36 34.485 -3.921 0.946 1.00 0.00 H new ATOM 0 HG LEU A 36 37.170 -3.168 2.125 1.00 0.00 H new ATOM 0 HD11 LEU A 36 37.226 -5.557 2.925 1.00 0.00 H new ATOM 0 HD12 LEU A 36 35.879 -4.648 3.649 1.00 0.00 H new ATOM 0 HD13 LEU A 36 35.571 -5.779 2.310 1.00 0.00 H new ATOM 0 HD21 LEU A 36 38.105 -4.987 0.723 1.00 0.00 H new ATOM 0 HD22 LEU A 36 36.506 -5.218 -0.022 1.00 0.00 H new ATOM 0 HD23 LEU A 36 37.381 -3.686 -0.252 1.00 0.00 H new ATOM 619 N LYS A 37 33.351 -1.973 -1.144 1.00 0.00 N ATOM 620 CA LYS A 37 31.971 -1.748 -1.665 1.00 0.00 C ATOM 621 C LYS A 37 31.149 -3.090 -1.606 1.00 0.00 C ATOM 622 O LYS A 37 31.101 -3.793 -2.624 1.00 0.00 O ATOM 623 CB LYS A 37 32.058 -1.134 -3.096 1.00 0.00 C ATOM 624 CG LYS A 37 32.668 0.285 -3.224 1.00 0.00 C ATOM 625 CD LYS A 37 31.776 1.413 -2.669 1.00 0.00 C ATOM 626 CE LYS A 37 32.466 2.783 -2.750 1.00 0.00 C ATOM 627 NZ LYS A 37 31.553 3.818 -2.235 1.00 0.00 N ATOM 0 H LYS A 37 33.948 -2.503 -1.779 1.00 0.00 H new ATOM 0 HA LYS A 37 31.433 -1.033 -1.042 1.00 0.00 H new ATOM 0 HB2 LYS A 37 32.644 -1.810 -3.718 1.00 0.00 H new ATOM 0 HB3 LYS A 37 31.052 -1.108 -3.514 1.00 0.00 H new ATOM 0 HG2 LYS A 37 33.625 0.305 -2.702 1.00 0.00 H new ATOM 0 HG3 LYS A 37 32.874 0.485 -4.275 1.00 0.00 H new ATOM 0 HD2 LYS A 37 30.841 1.444 -3.228 1.00 0.00 H new ATOM 0 HD3 LYS A 37 31.520 1.196 -1.632 1.00 0.00 H new ATOM 0 HE2 LYS A 37 33.388 2.774 -2.169 1.00 0.00 H new ATOM 0 HE3 LYS A 37 32.741 3.004 -3.781 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 32.069 4.715 -2.129 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 30.765 3.949 -2.901 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 31.179 3.522 -1.311 1.00 0.00 H new ATOM 640 N PRO A 38 30.487 -3.504 -0.478 1.00 0.00 N ATOM 641 CA PRO A 38 29.741 -4.792 -0.414 1.00 0.00 C ATOM 642 C PRO A 38 28.390 -4.842 -1.199 1.00 0.00 C ATOM 643 O PRO A 38 27.842 -3.828 -1.643 1.00 0.00 O ATOM 644 CB PRO A 38 29.594 -4.992 1.110 1.00 0.00 C ATOM 645 CG PRO A 38 29.610 -3.594 1.717 1.00 0.00 C ATOM 646 CD PRO A 38 30.616 -2.851 0.843 1.00 0.00 C ATOM 0 HA PRO A 38 30.268 -5.600 -0.922 1.00 0.00 H new ATOM 0 HB2 PRO A 38 28.666 -5.511 1.348 1.00 0.00 H new ATOM 0 HB3 PRO A 38 30.409 -5.599 1.505 1.00 0.00 H new ATOM 0 HG2 PRO A 38 28.625 -3.128 1.683 1.00 0.00 H new ATOM 0 HG3 PRO A 38 29.919 -3.611 2.762 1.00 0.00 H new ATOM 0 HD2 PRO A 38 30.388 -1.787 0.787 1.00 0.00 H new ATOM 0 HD3 PRO A 38 31.629 -2.939 1.236 1.00 0.00 H new ATOM 654 N ASP A 39 27.873 -6.067 -1.377 1.00 0.00 N ATOM 655 CA ASP A 39 26.619 -6.318 -2.142 1.00 0.00 C ATOM 656 C ASP A 39 25.469 -6.790 -1.201 1.00 0.00 C ATOM 657 O ASP A 39 25.672 -7.630 -0.321 1.00 0.00 O ATOM 658 CB ASP A 39 26.873 -7.382 -3.242 1.00 0.00 C ATOM 659 CG ASP A 39 27.913 -7.096 -4.332 1.00 0.00 C ATOM 660 OD1 ASP A 39 28.529 -7.990 -4.906 1.00 0.00 O ATOM 661 OD2 ASP A 39 28.045 -5.773 -4.631 1.00 0.00 O ATOM 0 H ASP A 39 28.301 -6.913 -1.002 1.00 0.00 H new ATOM 0 HA ASP A 39 26.313 -5.381 -2.608 1.00 0.00 H new ATOM 0 HB2 ASP A 39 27.166 -8.306 -2.744 1.00 0.00 H new ATOM 0 HB3 ASP A 39 25.922 -7.575 -3.738 1.00 0.00 H new ATOM 667 N LYS A 40 24.245 -6.290 -1.420 1.00 0.00 N ATOM 668 CA LYS A 40 23.038 -6.761 -0.683 1.00 0.00 C ATOM 669 C LYS A 40 22.183 -7.665 -1.617 1.00 0.00 C ATOM 670 O LYS A 40 21.598 -7.190 -2.590 1.00 0.00 O ATOM 671 CB LYS A 40 22.255 -5.554 -0.098 1.00 0.00 C ATOM 672 CG LYS A 40 22.886 -4.992 1.197 1.00 0.00 C ATOM 673 CD LYS A 40 22.149 -3.762 1.763 1.00 0.00 C ATOM 674 CE LYS A 40 22.830 -3.135 2.995 1.00 0.00 C ATOM 675 NZ LYS A 40 22.618 -3.907 4.235 1.00 0.00 N ATOM 0 H LYS A 40 24.052 -5.556 -2.102 1.00 0.00 H new ATOM 0 HA LYS A 40 23.329 -7.371 0.172 1.00 0.00 H new ATOM 0 HB2 LYS A 40 22.208 -4.762 -0.846 1.00 0.00 H new ATOM 0 HB3 LYS A 40 21.229 -5.859 0.108 1.00 0.00 H new ATOM 0 HG2 LYS A 40 22.900 -5.776 1.954 1.00 0.00 H new ATOM 0 HG3 LYS A 40 23.923 -4.723 0.998 1.00 0.00 H new ATOM 0 HD2 LYS A 40 22.070 -3.007 0.981 1.00 0.00 H new ATOM 0 HD3 LYS A 40 21.133 -4.051 2.030 1.00 0.00 H new ATOM 0 HE2 LYS A 40 23.900 -3.050 2.806 1.00 0.00 H new ATOM 0 HE3 LYS A 40 22.450 -2.123 3.136 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 23.142 -3.462 5.015 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 21.604 -3.924 4.464 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 22.959 -4.880 4.100 1.00 0.00 H new ATOM 688 N GLU A 41 22.109 -8.972 -1.319 1.00 0.00 N ATOM 689 CA GLU A 41 21.178 -9.908 -2.007 1.00 0.00 C ATOM 690 C GLU A 41 19.915 -10.108 -1.116 1.00 0.00 C ATOM 691 O GLU A 41 19.953 -10.812 -0.102 1.00 0.00 O ATOM 692 CB GLU A 41 21.939 -11.210 -2.361 1.00 0.00 C ATOM 693 CG GLU A 41 21.122 -12.218 -3.211 1.00 0.00 C ATOM 694 CD GLU A 41 21.856 -13.531 -3.505 1.00 0.00 C ATOM 695 OE1 GLU A 41 23.065 -13.608 -3.711 1.00 0.00 O ATOM 696 OE2 GLU A 41 21.006 -14.601 -3.529 1.00 0.00 O ATOM 0 H GLU A 41 22.683 -9.416 -0.602 1.00 0.00 H new ATOM 0 HA GLU A 41 20.818 -9.508 -2.955 1.00 0.00 H new ATOM 0 HB2 GLU A 41 22.848 -10.949 -2.903 1.00 0.00 H new ATOM 0 HB3 GLU A 41 22.248 -11.699 -1.437 1.00 0.00 H new ATOM 0 HG2 GLU A 41 20.191 -12.444 -2.691 1.00 0.00 H new ATOM 0 HG3 GLU A 41 20.853 -11.746 -4.156 1.00 0.00 H new ATOM 704 N ILE A 42 18.801 -9.453 -1.473 1.00 0.00 N ATOM 705 CA ILE A 42 17.597 -9.382 -0.593 1.00 0.00 C ATOM 706 C ILE A 42 16.569 -10.470 -1.040 1.00 0.00 C ATOM 707 O ILE A 42 16.095 -10.470 -2.181 1.00 0.00 O ATOM 708 CB ILE A 42 16.988 -7.933 -0.509 1.00 0.00 C ATOM 709 CG1 ILE A 42 18.022 -6.849 -0.081 1.00 0.00 C ATOM 710 CG2 ILE A 42 15.774 -7.910 0.464 1.00 0.00 C ATOM 711 CD1 ILE A 42 17.563 -5.382 -0.163 1.00 0.00 C ATOM 0 H ILE A 42 18.696 -8.962 -2.361 1.00 0.00 H new ATOM 0 HA ILE A 42 17.894 -9.602 0.432 1.00 0.00 H new ATOM 0 HB ILE A 42 16.665 -7.682 -1.520 1.00 0.00 H new ATOM 0 HG12 ILE A 42 18.324 -7.054 0.946 1.00 0.00 H new ATOM 0 HG13 ILE A 42 18.910 -6.962 -0.703 1.00 0.00 H new ATOM 0 HG21 ILE A 42 15.364 -6.901 0.511 1.00 0.00 H new ATOM 0 HG22 ILE A 42 15.007 -8.597 0.105 1.00 0.00 H new ATOM 0 HG23 ILE A 42 16.099 -8.216 1.458 1.00 0.00 H new ATOM 0 HD11 ILE A 42 18.373 -4.729 0.161 1.00 0.00 H new ATOM 0 HD12 ILE A 42 17.293 -5.142 -1.191 1.00 0.00 H new ATOM 0 HD13 ILE A 42 16.697 -5.235 0.483 1.00 0.00 H new ATOM 723 N VAL A 43 16.180 -11.347 -0.098 1.00 0.00 N ATOM 724 CA VAL A 43 15.005 -12.254 -0.263 1.00 0.00 C ATOM 725 C VAL A 43 13.833 -11.634 0.571 1.00 0.00 C ATOM 726 O VAL A 43 13.802 -11.753 1.800 1.00 0.00 O ATOM 727 CB VAL A 43 15.376 -13.726 0.137 1.00 0.00 C ATOM 728 CG1 VAL A 43 14.173 -14.699 0.103 1.00 0.00 C ATOM 729 CG2 VAL A 43 16.480 -14.344 -0.755 1.00 0.00 C ATOM 0 H VAL A 43 16.659 -11.455 0.796 1.00 0.00 H new ATOM 0 HA VAL A 43 14.687 -12.330 -1.303 1.00 0.00 H new ATOM 0 HB VAL A 43 15.736 -13.618 1.160 1.00 0.00 H new ATOM 0 HG11 VAL A 43 14.504 -15.697 0.391 1.00 0.00 H new ATOM 0 HG12 VAL A 43 13.408 -14.356 0.799 1.00 0.00 H new ATOM 0 HG13 VAL A 43 13.759 -14.730 -0.905 1.00 0.00 H new ATOM 0 HG21 VAL A 43 16.688 -15.362 -0.424 1.00 0.00 H new ATOM 0 HG22 VAL A 43 16.143 -14.361 -1.792 1.00 0.00 H new ATOM 0 HG23 VAL A 43 17.387 -13.745 -0.678 1.00 0.00 H new ATOM 739 N GLN A 44 12.884 -10.964 -0.107 1.00 0.00 N ATOM 740 CA GLN A 44 11.710 -10.311 0.540 1.00 0.00 C ATOM 741 C GLN A 44 10.420 -11.163 0.312 1.00 0.00 C ATOM 742 O GLN A 44 9.879 -11.205 -0.797 1.00 0.00 O ATOM 743 CB GLN A 44 11.646 -8.861 -0.026 1.00 0.00 C ATOM 744 CG GLN A 44 10.500 -7.938 0.474 1.00 0.00 C ATOM 745 CD GLN A 44 9.110 -8.054 -0.168 1.00 0.00 C ATOM 746 OE1 GLN A 44 8.105 -8.242 0.505 1.00 0.00 O ATOM 747 NE2 GLN A 44 8.975 -7.908 -1.464 1.00 0.00 N ATOM 0 H GLN A 44 12.901 -10.855 -1.121 1.00 0.00 H new ATOM 0 HA GLN A 44 11.801 -10.251 1.625 1.00 0.00 H new ATOM 0 HB2 GLN A 44 12.593 -8.371 0.200 1.00 0.00 H new ATOM 0 HB3 GLN A 44 11.573 -8.928 -1.111 1.00 0.00 H new ATOM 0 HG2 GLN A 44 10.383 -8.111 1.544 1.00 0.00 H new ATOM 0 HG3 GLN A 44 10.832 -6.907 0.352 1.00 0.00 H new ATOM 0 HE21 GLN A 44 9.796 -7.750 -2.048 1.00 0.00 H new ATOM 0 HE22 GLN A 44 8.049 -7.952 -1.888 1.00 0.00 H new ATOM 756 N ASP A 45 9.917 -11.824 1.368 1.00 0.00 N ATOM 757 CA ASP A 45 8.637 -12.586 1.322 1.00 0.00 C ATOM 758 C ASP A 45 7.552 -11.898 2.220 1.00 0.00 C ATOM 759 O ASP A 45 7.196 -12.394 3.295 1.00 0.00 O ATOM 760 CB ASP A 45 8.996 -14.049 1.707 1.00 0.00 C ATOM 761 CG ASP A 45 7.874 -15.062 1.500 1.00 0.00 C ATOM 762 OD1 ASP A 45 7.252 -15.594 2.412 1.00 0.00 O ATOM 763 OD2 ASP A 45 7.643 -15.313 0.181 1.00 0.00 O ATOM 0 H ASP A 45 10.376 -11.851 2.278 1.00 0.00 H new ATOM 0 HA ASP A 45 8.176 -12.597 0.334 1.00 0.00 H new ATOM 0 HB2 ASP A 45 9.860 -14.362 1.121 1.00 0.00 H new ATOM 0 HB3 ASP A 45 9.296 -14.070 2.755 1.00 0.00 H new ATOM 769 N GLY A 46 7.026 -10.741 1.767 1.00 0.00 N ATOM 770 CA GLY A 46 6.003 -9.959 2.515 1.00 0.00 C ATOM 771 C GLY A 46 6.508 -9.301 3.818 1.00 0.00 C ATOM 772 O GLY A 46 7.100 -8.218 3.793 1.00 0.00 O ATOM 0 H GLY A 46 7.293 -10.319 0.878 1.00 0.00 H new ATOM 0 HA2 GLY A 46 5.613 -9.180 1.860 1.00 0.00 H new ATOM 0 HA3 GLY A 46 5.170 -10.618 2.758 1.00 0.00 H new ATOM 776 N ASP A 47 6.287 -9.993 4.945 1.00 0.00 N ATOM 777 CA ASP A 47 6.959 -9.668 6.235 1.00 0.00 C ATOM 778 C ASP A 47 8.360 -10.331 6.458 1.00 0.00 C ATOM 779 O ASP A 47 9.221 -9.691 7.060 1.00 0.00 O ATOM 780 CB ASP A 47 5.977 -9.870 7.422 1.00 0.00 C ATOM 781 CG ASP A 47 5.613 -11.310 7.797 1.00 0.00 C ATOM 782 OD1 ASP A 47 4.880 -12.026 7.124 1.00 0.00 O ATOM 783 OD2 ASP A 47 6.200 -11.710 8.960 1.00 0.00 O ATOM 0 H ASP A 47 5.648 -10.786 5.001 1.00 0.00 H new ATOM 0 HA ASP A 47 7.217 -8.610 6.179 1.00 0.00 H new ATOM 0 HB2 ASP A 47 6.408 -9.391 8.301 1.00 0.00 H new ATOM 0 HB3 ASP A 47 5.054 -9.338 7.190 1.00 0.00 H new ATOM 789 N HIS A 48 8.612 -11.585 6.034 1.00 0.00 N ATOM 790 CA HIS A 48 9.924 -12.252 6.266 1.00 0.00 C ATOM 791 C HIS A 48 10.988 -11.797 5.221 1.00 0.00 C ATOM 792 O HIS A 48 10.864 -12.062 4.022 1.00 0.00 O ATOM 793 CB HIS A 48 9.733 -13.790 6.332 1.00 0.00 C ATOM 794 CG HIS A 48 10.935 -14.621 6.808 1.00 0.00 C ATOM 795 ND1 HIS A 48 11.025 -15.981 6.556 1.00 0.00 N ATOM 796 CD2 HIS A 48 12.040 -14.191 7.579 1.00 0.00 C ATOM 797 CE1 HIS A 48 12.205 -16.253 7.201 1.00 0.00 C ATOM 798 NE2 HIS A 48 12.888 -15.251 7.837 1.00 0.00 N ATOM 0 H HIS A 48 7.935 -12.159 5.532 1.00 0.00 H new ATOM 0 HA HIS A 48 10.320 -11.941 7.233 1.00 0.00 H new ATOM 0 HB2 HIS A 48 8.893 -13.999 6.994 1.00 0.00 H new ATOM 0 HB3 HIS A 48 9.451 -14.140 5.339 1.00 0.00 H new ATOM 0 HD2 HIS A 48 12.198 -13.178 7.918 1.00 0.00 H new ATOM 0 HE1 HIS A 48 12.596 -17.260 7.207 1.00 0.00 H new ATOM 0 HE2 HIS A 48 13.768 -15.279 8.352 1.00 0.00 H new ATOM 806 N MET A 49 12.022 -11.087 5.695 1.00 0.00 N ATOM 807 CA MET A 49 12.998 -10.396 4.824 1.00 0.00 C ATOM 808 C MET A 49 14.448 -10.749 5.262 1.00 0.00 C ATOM 809 O MET A 49 14.841 -10.542 6.418 1.00 0.00 O ATOM 810 CB MET A 49 12.685 -8.885 4.904 1.00 0.00 C ATOM 811 CG MET A 49 13.332 -8.029 3.799 1.00 0.00 C ATOM 812 SD MET A 49 13.013 -6.288 4.124 1.00 0.00 S ATOM 813 CE MET A 49 11.284 -6.114 3.645 1.00 0.00 C ATOM 0 H MET A 49 12.210 -10.973 6.691 1.00 0.00 H new ATOM 0 HA MET A 49 12.919 -10.716 3.785 1.00 0.00 H new ATOM 0 HB2 MET A 49 11.604 -8.750 4.862 1.00 0.00 H new ATOM 0 HB3 MET A 49 13.015 -8.511 5.873 1.00 0.00 H new ATOM 0 HG2 MET A 49 14.406 -8.213 3.764 1.00 0.00 H new ATOM 0 HG3 MET A 49 12.929 -8.308 2.825 1.00 0.00 H new ATOM 0 HE1 MET A 49 10.757 -5.523 4.394 1.00 0.00 H new ATOM 0 HE2 MET A 49 11.223 -5.613 2.679 1.00 0.00 H new ATOM 0 HE3 MET A 49 10.826 -7.100 3.572 1.00 0.00 H new ATOM 823 N ILE A 50 15.236 -11.289 4.320 1.00 0.00 N ATOM 824 CA ILE A 50 16.650 -11.686 4.580 1.00 0.00 C ATOM 825 C ILE A 50 17.538 -10.771 3.675 1.00 0.00 C ATOM 826 O ILE A 50 17.678 -11.015 2.471 1.00 0.00 O ATOM 827 CB ILE A 50 16.867 -13.231 4.385 1.00 0.00 C ATOM 828 CG1 ILE A 50 15.927 -14.123 5.260 1.00 0.00 C ATOM 829 CG2 ILE A 50 18.339 -13.628 4.673 1.00 0.00 C ATOM 830 CD1 ILE A 50 15.835 -15.599 4.831 1.00 0.00 C ATOM 0 H ILE A 50 14.927 -11.466 3.364 1.00 0.00 H new ATOM 0 HA ILE A 50 16.937 -11.530 5.620 1.00 0.00 H new ATOM 0 HB ILE A 50 16.615 -13.419 3.341 1.00 0.00 H new ATOM 0 HG12 ILE A 50 16.273 -14.083 6.293 1.00 0.00 H new ATOM 0 HG13 ILE A 50 14.925 -13.693 5.242 1.00 0.00 H new ATOM 0 HG21 ILE A 50 18.461 -14.702 4.531 1.00 0.00 H new ATOM 0 HG22 ILE A 50 19.000 -13.094 3.990 1.00 0.00 H new ATOM 0 HG23 ILE A 50 18.592 -13.367 5.701 1.00 0.00 H new ATOM 0 HD11 ILE A 50 15.159 -16.131 5.501 1.00 0.00 H new ATOM 0 HD12 ILE A 50 15.456 -15.658 3.811 1.00 0.00 H new ATOM 0 HD13 ILE A 50 16.824 -16.054 4.878 1.00 0.00 H new ATOM 842 N ILE A 51 18.143 -9.722 4.265 1.00 0.00 N ATOM 843 CA ILE A 51 19.027 -8.764 3.531 1.00 0.00 C ATOM 844 C ILE A 51 20.488 -9.322 3.604 1.00 0.00 C ATOM 845 O ILE A 51 21.232 -9.014 4.543 1.00 0.00 O ATOM 846 CB ILE A 51 18.854 -7.301 4.097 1.00 0.00 C ATOM 847 CG1 ILE A 51 17.399 -6.748 3.970 1.00 0.00 C ATOM 848 CG2 ILE A 51 19.852 -6.286 3.470 1.00 0.00 C ATOM 849 CD1 ILE A 51 17.117 -5.419 4.694 1.00 0.00 C ATOM 0 H ILE A 51 18.041 -9.506 5.257 1.00 0.00 H new ATOM 0 HA ILE A 51 18.754 -8.682 2.479 1.00 0.00 H new ATOM 0 HB ILE A 51 19.081 -7.401 5.158 1.00 0.00 H new ATOM 0 HG12 ILE A 51 17.172 -6.618 2.912 1.00 0.00 H new ATOM 0 HG13 ILE A 51 16.710 -7.501 4.353 1.00 0.00 H new ATOM 0 HG21 ILE A 51 19.684 -5.298 3.899 1.00 0.00 H new ATOM 0 HG22 ILE A 51 20.874 -6.603 3.679 1.00 0.00 H new ATOM 0 HG23 ILE A 51 19.699 -6.244 2.392 1.00 0.00 H new ATOM 0 HD11 ILE A 51 16.077 -5.132 4.537 1.00 0.00 H new ATOM 0 HD12 ILE A 51 17.303 -5.540 5.761 1.00 0.00 H new ATOM 0 HD13 ILE A 51 17.771 -4.643 4.297 1.00 0.00 H new ATOM 861 N ARG A 52 20.906 -10.143 2.619 1.00 0.00 N ATOM 862 CA ARG A 52 22.223 -10.840 2.659 1.00 0.00 C ATOM 863 C ARG A 52 23.376 -9.861 2.287 1.00 0.00 C ATOM 864 O ARG A 52 23.596 -9.567 1.109 1.00 0.00 O ATOM 865 CB ARG A 52 22.239 -12.097 1.748 1.00 0.00 C ATOM 866 CG ARG A 52 21.201 -13.197 2.067 1.00 0.00 C ATOM 867 CD ARG A 52 21.239 -14.346 1.048 1.00 0.00 C ATOM 868 NE ARG A 52 20.194 -15.340 1.400 1.00 0.00 N ATOM 869 CZ ARG A 52 19.668 -16.232 0.564 1.00 0.00 C ATOM 870 NH1 ARG A 52 20.023 -16.373 -0.696 1.00 0.00 N ATOM 871 NH2 ARG A 52 18.738 -17.020 1.027 1.00 0.00 N ATOM 0 H ARG A 52 20.356 -10.344 1.784 1.00 0.00 H new ATOM 0 HA ARG A 52 22.382 -11.183 3.681 1.00 0.00 H new ATOM 0 HB2 ARG A 52 22.087 -11.773 0.718 1.00 0.00 H new ATOM 0 HB3 ARG A 52 23.233 -12.542 1.799 1.00 0.00 H new ATOM 0 HG2 ARG A 52 21.389 -13.593 3.065 1.00 0.00 H new ATOM 0 HG3 ARG A 52 20.203 -12.759 2.081 1.00 0.00 H new ATOM 0 HD2 ARG A 52 21.070 -13.962 0.042 1.00 0.00 H new ATOM 0 HD3 ARG A 52 22.222 -14.817 1.048 1.00 0.00 H new ATOM 0 HE ARG A 52 19.851 -15.339 2.361 1.00 0.00 H new ATOM 0 HH11 ARG A 52 20.748 -15.774 -1.092 1.00 0.00 H new ATOM 0 HH12 ARG A 52 19.573 -17.081 -1.276 1.00 0.00 H new ATOM 0 HH21 ARG A 52 18.438 -16.939 1.999 1.00 0.00 H new ATOM 0 HH22 ARG A 52 18.310 -17.717 0.417 1.00 0.00 H new ATOM 885 N THR A 53 24.071 -9.325 3.303 1.00 0.00 N ATOM 886 CA THR A 53 25.047 -8.213 3.118 1.00 0.00 C ATOM 887 C THR A 53 26.487 -8.811 3.017 1.00 0.00 C ATOM 888 O THR A 53 27.063 -9.294 4.000 1.00 0.00 O ATOM 889 CB THR A 53 24.844 -7.166 4.251 1.00 0.00 C ATOM 890 OG1 THR A 53 23.477 -6.761 4.325 1.00 0.00 O ATOM 891 CG2 THR A 53 25.665 -5.881 4.055 1.00 0.00 C ATOM 0 H THR A 53 23.982 -9.638 4.270 1.00 0.00 H new ATOM 0 HA THR A 53 24.885 -7.673 2.185 1.00 0.00 H new ATOM 0 HB THR A 53 25.175 -7.670 5.159 1.00 0.00 H new ATOM 0 HG1 THR A 53 23.298 -6.372 5.206 1.00 0.00 H new ATOM 0 HG21 THR A 53 25.474 -5.197 4.882 1.00 0.00 H new ATOM 0 HG22 THR A 53 26.726 -6.128 4.027 1.00 0.00 H new ATOM 0 HG23 THR A 53 25.378 -5.405 3.117 1.00 0.00 H new ATOM 899 N LEU A 54 27.018 -8.818 1.788 1.00 0.00 N ATOM 900 CA LEU A 54 28.134 -9.704 1.371 1.00 0.00 C ATOM 901 C LEU A 54 29.431 -8.867 1.160 1.00 0.00 C ATOM 902 O LEU A 54 29.477 -7.989 0.290 1.00 0.00 O ATOM 903 CB LEU A 54 27.710 -10.412 0.049 1.00 0.00 C ATOM 904 CG LEU A 54 26.492 -11.377 0.115 1.00 0.00 C ATOM 905 CD1 LEU A 54 25.875 -11.559 -1.283 1.00 0.00 C ATOM 906 CD2 LEU A 54 26.861 -12.735 0.735 1.00 0.00 C ATOM 0 H LEU A 54 26.688 -8.206 1.041 1.00 0.00 H new ATOM 0 HA LEU A 54 28.343 -10.448 2.140 1.00 0.00 H new ATOM 0 HB2 LEU A 54 27.490 -9.642 -0.690 1.00 0.00 H new ATOM 0 HB3 LEU A 54 28.567 -10.975 -0.322 1.00 0.00 H new ATOM 0 HG LEU A 54 25.749 -10.922 0.769 1.00 0.00 H new ATOM 0 HD11 LEU A 54 25.024 -12.237 -1.220 1.00 0.00 H new ATOM 0 HD12 LEU A 54 25.542 -10.593 -1.662 1.00 0.00 H new ATOM 0 HD13 LEU A 54 26.622 -11.976 -1.959 1.00 0.00 H new ATOM 0 HD21 LEU A 54 25.979 -13.375 0.760 1.00 0.00 H new ATOM 0 HD22 LEU A 54 27.637 -13.210 0.135 1.00 0.00 H new ATOM 0 HD23 LEU A 54 27.229 -12.584 1.750 1.00 0.00 H new ATOM 918 N SER A 55 30.476 -9.138 1.958 1.00 0.00 N ATOM 919 CA SER A 55 31.732 -8.338 1.955 1.00 0.00 C ATOM 920 C SER A 55 32.998 -9.242 1.934 1.00 0.00 C ATOM 921 O SER A 55 33.051 -10.285 2.597 1.00 0.00 O ATOM 922 CB SER A 55 31.729 -7.440 3.216 1.00 0.00 C ATOM 923 OG SER A 55 32.800 -6.496 3.182 1.00 0.00 O ATOM 0 H SER A 55 30.484 -9.911 2.623 1.00 0.00 H new ATOM 0 HA SER A 55 31.768 -7.731 1.050 1.00 0.00 H new ATOM 0 HB2 SER A 55 30.778 -6.912 3.287 1.00 0.00 H new ATOM 0 HB3 SER A 55 31.816 -8.061 4.108 1.00 0.00 H new ATOM 0 HG SER A 55 32.773 -5.941 3.989 1.00 0.00 H new ATOM 929 N THR A 56 34.078 -8.783 1.269 1.00 0.00 N ATOM 930 CA THR A 56 35.408 -9.479 1.309 1.00 0.00 C ATOM 931 C THR A 56 36.220 -9.160 2.621 1.00 0.00 C ATOM 932 O THR A 56 37.311 -8.580 2.582 1.00 0.00 O ATOM 933 CB THR A 56 36.237 -9.194 0.014 1.00 0.00 C ATOM 934 OG1 THR A 56 36.616 -7.822 -0.041 1.00 0.00 O ATOM 935 CG2 THR A 56 35.570 -9.559 -1.323 1.00 0.00 C ATOM 0 H THR A 56 34.069 -7.939 0.697 1.00 0.00 H new ATOM 0 HA THR A 56 35.206 -10.550 1.337 1.00 0.00 H new ATOM 0 HB THR A 56 37.093 -9.861 0.112 1.00 0.00 H new ATOM 0 HG1 THR A 56 37.052 -7.569 0.800 1.00 0.00 H new ATOM 0 HG21 THR A 56 36.243 -9.314 -2.144 1.00 0.00 H new ATOM 0 HG22 THR A 56 35.350 -10.626 -1.340 1.00 0.00 H new ATOM 0 HG23 THR A 56 34.644 -8.995 -1.433 1.00 0.00 H new ATOM 943 N PHE A 57 35.646 -9.538 3.776 1.00 0.00 N ATOM 944 CA PHE A 57 36.236 -9.370 5.136 1.00 0.00 C ATOM 945 C PHE A 57 35.344 -10.180 6.141 1.00 0.00 C ATOM 946 O PHE A 57 35.772 -11.226 6.633 1.00 0.00 O ATOM 947 CB PHE A 57 36.459 -7.870 5.522 1.00 0.00 C ATOM 948 CG PHE A 57 37.201 -7.646 6.849 1.00 0.00 C ATOM 949 CD1 PHE A 57 38.598 -7.705 6.894 1.00 0.00 C ATOM 950 CD2 PHE A 57 36.487 -7.387 8.025 1.00 0.00 C ATOM 951 CE1 PHE A 57 39.272 -7.502 8.096 1.00 0.00 C ATOM 952 CE2 PHE A 57 37.163 -7.197 9.228 1.00 0.00 C ATOM 953 CZ PHE A 57 38.554 -7.245 9.261 1.00 0.00 C ATOM 0 H PHE A 57 34.729 -9.984 3.801 1.00 0.00 H new ATOM 0 HA PHE A 57 37.247 -9.776 5.166 1.00 0.00 H new ATOM 0 HB2 PHE A 57 37.019 -7.384 4.723 1.00 0.00 H new ATOM 0 HB3 PHE A 57 35.489 -7.376 5.577 1.00 0.00 H new ATOM 0 HD1 PHE A 57 39.157 -7.909 5.992 1.00 0.00 H new ATOM 0 HD2 PHE A 57 35.409 -7.334 7.999 1.00 0.00 H new ATOM 0 HE1 PHE A 57 40.351 -7.544 8.124 1.00 0.00 H new ATOM 0 HE2 PHE A 57 36.608 -7.012 10.136 1.00 0.00 H new ATOM 0 HZ PHE A 57 39.077 -7.083 10.192 1.00 0.00 H new ATOM 963 N ARG A 58 34.108 -9.714 6.423 1.00 0.00 N ATOM 964 CA ARG A 58 33.095 -10.474 7.205 1.00 0.00 C ATOM 965 C ARG A 58 31.686 -10.279 6.567 1.00 0.00 C ATOM 966 O ARG A 58 31.247 -9.155 6.306 1.00 0.00 O ATOM 967 CB ARG A 58 33.113 -10.040 8.703 1.00 0.00 C ATOM 968 CG ARG A 58 33.858 -11.040 9.615 1.00 0.00 C ATOM 969 CD ARG A 58 34.064 -10.500 11.040 1.00 0.00 C ATOM 970 NE ARG A 58 34.709 -11.535 11.885 1.00 0.00 N ATOM 971 CZ ARG A 58 34.904 -11.434 13.199 1.00 0.00 C ATOM 972 NH1 ARG A 58 34.561 -10.390 13.923 1.00 0.00 N ATOM 973 NH2 ARG A 58 35.472 -12.439 13.807 1.00 0.00 N ATOM 0 H ARG A 58 33.779 -8.799 6.116 1.00 0.00 H new ATOM 0 HA ARG A 58 33.341 -11.535 7.175 1.00 0.00 H new ATOM 0 HB2 ARG A 58 33.585 -9.061 8.786 1.00 0.00 H new ATOM 0 HB3 ARG A 58 32.087 -9.930 9.056 1.00 0.00 H new ATOM 0 HG2 ARG A 58 33.295 -11.972 9.662 1.00 0.00 H new ATOM 0 HG3 ARG A 58 34.828 -11.274 9.175 1.00 0.00 H new ATOM 0 HD2 ARG A 58 34.683 -9.603 11.012 1.00 0.00 H new ATOM 0 HD3 ARG A 58 33.105 -10.212 11.471 1.00 0.00 H new ATOM 0 HE ARG A 58 35.027 -12.388 11.425 1.00 0.00 H new ATOM 0 HH11 ARG A 58 34.114 -9.587 13.480 1.00 0.00 H new ATOM 0 HH12 ARG A 58 34.742 -10.384 14.927 1.00 0.00 H new ATOM 0 HH21 ARG A 58 35.750 -13.265 13.277 1.00 0.00 H new ATOM 0 HH22 ARG A 58 35.638 -12.399 14.813 1.00 0.00 H new ATOM 987 N ASN A 59 30.965 -11.392 6.361 1.00 0.00 N ATOM 988 CA ASN A 59 29.569 -11.365 5.832 1.00 0.00 C ATOM 989 C ASN A 59 28.536 -11.157 6.986 1.00 0.00 C ATOM 990 O ASN A 59 28.570 -11.855 8.005 1.00 0.00 O ATOM 991 CB ASN A 59 29.278 -12.668 5.038 1.00 0.00 C ATOM 992 CG ASN A 59 30.058 -12.820 3.723 1.00 0.00 C ATOM 993 OD1 ASN A 59 30.158 -11.905 2.914 1.00 0.00 O ATOM 994 ND2 ASN A 59 30.620 -13.972 3.451 1.00 0.00 N ATOM 0 H ASN A 59 31.317 -12.331 6.550 1.00 0.00 H new ATOM 0 HA ASN A 59 29.468 -10.519 5.152 1.00 0.00 H new ATOM 0 HB2 ASN A 59 29.504 -13.522 5.677 1.00 0.00 H new ATOM 0 HB3 ASN A 59 28.212 -12.709 4.816 1.00 0.00 H new ATOM 0 HD21 ASN A 59 31.131 -14.096 2.577 1.00 0.00 H new ATOM 0 HD22 ASN A 59 30.547 -14.744 4.113 1.00 0.00 H new ATOM 1001 N TYR A 60 27.629 -10.180 6.822 1.00 0.00 N ATOM 1002 CA TYR A 60 26.692 -9.747 7.900 1.00 0.00 C ATOM 1003 C TYR A 60 25.339 -10.532 7.850 1.00 0.00 C ATOM 1004 O TYR A 60 25.148 -11.444 8.655 1.00 0.00 O ATOM 1005 CB TYR A 60 26.657 -8.184 7.856 1.00 0.00 C ATOM 1006 CG TYR A 60 25.603 -7.419 8.688 1.00 0.00 C ATOM 1007 CD1 TYR A 60 25.271 -7.805 9.993 1.00 0.00 C ATOM 1008 CD2 TYR A 60 25.004 -6.276 8.145 1.00 0.00 C ATOM 1009 CE1 TYR A 60 24.343 -7.071 10.728 1.00 0.00 C ATOM 1010 CE2 TYR A 60 24.090 -5.534 8.891 1.00 0.00 C ATOM 1011 CZ TYR A 60 23.768 -5.928 10.185 1.00 0.00 C ATOM 1012 OH TYR A 60 22.881 -5.183 10.919 1.00 0.00 O ATOM 0 H TYR A 60 27.516 -9.664 5.949 1.00 0.00 H new ATOM 0 HA TYR A 60 27.024 -10.013 8.903 1.00 0.00 H new ATOM 0 HB2 TYR A 60 27.639 -7.827 8.167 1.00 0.00 H new ATOM 0 HB3 TYR A 60 26.526 -7.890 6.815 1.00 0.00 H new ATOM 0 HD1 TYR A 60 25.737 -8.675 10.431 1.00 0.00 H new ATOM 0 HD2 TYR A 60 25.252 -5.967 7.140 1.00 0.00 H new ATOM 0 HE1 TYR A 60 24.069 -7.391 11.723 1.00 0.00 H new ATOM 0 HE2 TYR A 60 23.632 -4.654 8.464 1.00 0.00 H new ATOM 0 HH TYR A 60 22.412 -5.764 11.553 1.00 0.00 H new ATOM 1022 N ILE A 61 24.422 -10.191 6.923 1.00 0.00 N ATOM 1023 CA ILE A 61 23.086 -10.857 6.773 1.00 0.00 C ATOM 1024 C ILE A 61 22.066 -10.320 7.842 1.00 0.00 C ATOM 1025 O ILE A 61 22.149 -10.652 9.027 1.00 0.00 O ATOM 1026 CB ILE A 61 23.077 -12.426 6.569 1.00 0.00 C ATOM 1027 CG1 ILE A 61 24.115 -12.913 5.504 1.00 0.00 C ATOM 1028 CG2 ILE A 61 21.647 -12.944 6.243 1.00 0.00 C ATOM 1029 CD1 ILE A 61 24.166 -14.419 5.192 1.00 0.00 C ATOM 0 H ILE A 61 24.576 -9.443 6.247 1.00 0.00 H new ATOM 0 HA ILE A 61 22.730 -10.546 5.791 1.00 0.00 H new ATOM 0 HB ILE A 61 23.389 -12.860 7.519 1.00 0.00 H new ATOM 0 HG12 ILE A 61 23.913 -12.384 4.573 1.00 0.00 H new ATOM 0 HG13 ILE A 61 25.106 -12.606 5.837 1.00 0.00 H new ATOM 0 HG21 ILE A 61 21.674 -14.025 6.108 1.00 0.00 H new ATOM 0 HG22 ILE A 61 20.975 -12.697 7.065 1.00 0.00 H new ATOM 0 HG23 ILE A 61 21.289 -12.473 5.327 1.00 0.00 H new ATOM 0 HD11 ILE A 61 24.930 -14.609 4.438 1.00 0.00 H new ATOM 0 HD12 ILE A 61 24.408 -14.971 6.100 1.00 0.00 H new ATOM 0 HD13 ILE A 61 23.196 -14.746 4.816 1.00 0.00 H new ATOM 1041 N MET A 62 21.075 -9.522 7.399 1.00 0.00 N ATOM 1042 CA MET A 62 19.996 -8.986 8.276 1.00 0.00 C ATOM 1043 C MET A 62 18.692 -9.831 8.086 1.00 0.00 C ATOM 1044 O MET A 62 17.909 -9.603 7.158 1.00 0.00 O ATOM 1045 CB MET A 62 19.812 -7.466 7.967 1.00 0.00 C ATOM 1046 CG MET A 62 20.106 -6.519 9.141 1.00 0.00 C ATOM 1047 SD MET A 62 18.983 -6.844 10.513 1.00 0.00 S ATOM 1048 CE MET A 62 18.925 -5.208 11.263 1.00 0.00 C ATOM 0 H MET A 62 20.993 -9.227 6.426 1.00 0.00 H new ATOM 0 HA MET A 62 20.259 -9.072 9.330 1.00 0.00 H new ATOM 0 HB2 MET A 62 20.463 -7.200 7.134 1.00 0.00 H new ATOM 0 HB3 MET A 62 18.787 -7.301 7.636 1.00 0.00 H new ATOM 0 HG2 MET A 62 21.137 -6.647 9.470 1.00 0.00 H new ATOM 0 HG3 MET A 62 20.002 -5.484 8.816 1.00 0.00 H new ATOM 0 HE1 MET A 62 18.685 -5.302 12.322 1.00 0.00 H new ATOM 0 HE2 MET A 62 19.894 -4.722 11.152 1.00 0.00 H new ATOM 0 HE3 MET A 62 18.160 -4.608 10.769 1.00 0.00 H new ATOM 1058 N ASP A 63 18.478 -10.821 8.967 1.00 0.00 N ATOM 1059 CA ASP A 63 17.344 -11.781 8.888 1.00 0.00 C ATOM 1060 C ASP A 63 16.192 -11.423 9.884 1.00 0.00 C ATOM 1061 O ASP A 63 16.403 -11.434 11.101 1.00 0.00 O ATOM 1062 CB ASP A 63 17.935 -13.205 9.099 1.00 0.00 C ATOM 1063 CG ASP A 63 18.693 -13.490 10.408 1.00 0.00 C ATOM 1064 OD1 ASP A 63 19.857 -13.154 10.597 1.00 0.00 O ATOM 1065 OD2 ASP A 63 17.928 -14.126 11.337 1.00 0.00 O ATOM 0 H ASP A 63 19.089 -10.987 9.767 1.00 0.00 H new ATOM 0 HA ASP A 63 16.864 -11.732 7.911 1.00 0.00 H new ATOM 0 HB2 ASP A 63 17.116 -13.920 9.026 1.00 0.00 H new ATOM 0 HB3 ASP A 63 18.612 -13.411 8.270 1.00 0.00 H new ATOM 1071 N PHE A 64 14.980 -11.088 9.388 1.00 0.00 N ATOM 1072 CA PHE A 64 13.892 -10.548 10.267 1.00 0.00 C ATOM 1073 C PHE A 64 12.445 -10.714 9.706 1.00 0.00 C ATOM 1074 O PHE A 64 12.216 -10.767 8.495 1.00 0.00 O ATOM 1075 CB PHE A 64 14.179 -9.063 10.652 1.00 0.00 C ATOM 1076 CG PHE A 64 14.297 -8.041 9.509 1.00 0.00 C ATOM 1077 CD1 PHE A 64 13.157 -7.477 8.928 1.00 0.00 C ATOM 1078 CD2 PHE A 64 15.558 -7.738 8.987 1.00 0.00 C ATOM 1079 CE1 PHE A 64 13.280 -6.644 7.820 1.00 0.00 C ATOM 1080 CE2 PHE A 64 15.675 -6.904 7.883 1.00 0.00 C ATOM 1081 CZ PHE A 64 14.539 -6.356 7.300 1.00 0.00 C ATOM 0 H PHE A 64 14.723 -11.176 8.405 1.00 0.00 H new ATOM 0 HA PHE A 64 13.914 -11.169 11.162 1.00 0.00 H new ATOM 0 HB2 PHE A 64 13.385 -8.730 11.320 1.00 0.00 H new ATOM 0 HB3 PHE A 64 15.107 -9.037 11.223 1.00 0.00 H new ATOM 0 HD1 PHE A 64 12.181 -7.688 9.339 1.00 0.00 H new ATOM 0 HD2 PHE A 64 16.444 -8.154 9.444 1.00 0.00 H new ATOM 0 HE1 PHE A 64 12.398 -6.220 7.363 1.00 0.00 H new ATOM 0 HE2 PHE A 64 16.651 -6.681 7.477 1.00 0.00 H new ATOM 0 HZ PHE A 64 14.633 -5.706 6.443 1.00 0.00 H new ATOM 1091 N GLN A 65 11.457 -10.710 10.616 1.00 0.00 N ATOM 1092 CA GLN A 65 10.014 -10.596 10.262 1.00 0.00 C ATOM 1093 C GLN A 65 9.503 -9.155 10.577 1.00 0.00 C ATOM 1094 O GLN A 65 9.530 -8.711 11.729 1.00 0.00 O ATOM 1095 CB GLN A 65 9.229 -11.708 11.010 1.00 0.00 C ATOM 1096 CG GLN A 65 9.413 -13.111 10.369 1.00 0.00 C ATOM 1097 CD GLN A 65 8.739 -14.257 11.125 1.00 0.00 C ATOM 1098 OE1 GLN A 65 9.073 -14.572 12.261 1.00 0.00 O ATOM 1099 NE2 GLN A 65 7.810 -14.951 10.513 1.00 0.00 N ATOM 0 H GLN A 65 11.625 -10.785 11.619 1.00 0.00 H new ATOM 0 HA GLN A 65 9.857 -10.747 9.194 1.00 0.00 H new ATOM 0 HB2 GLN A 65 9.558 -11.742 12.049 1.00 0.00 H new ATOM 0 HB3 GLN A 65 8.169 -11.454 11.019 1.00 0.00 H new ATOM 0 HG2 GLN A 65 9.020 -13.085 9.353 1.00 0.00 H new ATOM 0 HG3 GLN A 65 10.480 -13.323 10.293 1.00 0.00 H new ATOM 0 HE21 GLN A 65 7.524 -14.698 9.567 1.00 0.00 H new ATOM 0 HE22 GLN A 65 7.373 -15.744 10.983 1.00 0.00 H new ATOM 1108 N VAL A 66 9.027 -8.424 9.548 1.00 0.00 N ATOM 1109 CA VAL A 66 8.535 -7.016 9.680 1.00 0.00 C ATOM 1110 C VAL A 66 7.295 -6.922 10.642 1.00 0.00 C ATOM 1111 O VAL A 66 6.327 -7.680 10.519 1.00 0.00 O ATOM 1112 CB VAL A 66 8.247 -6.398 8.264 1.00 0.00 C ATOM 1113 CG1 VAL A 66 7.785 -4.926 8.328 1.00 0.00 C ATOM 1114 CG2 VAL A 66 9.457 -6.397 7.299 1.00 0.00 C ATOM 0 H VAL A 66 8.968 -8.784 8.596 1.00 0.00 H new ATOM 0 HA VAL A 66 9.322 -6.420 10.142 1.00 0.00 H new ATOM 0 HB VAL A 66 7.464 -7.057 7.889 1.00 0.00 H new ATOM 0 HG11 VAL A 66 7.603 -4.558 7.318 1.00 0.00 H new ATOM 0 HG12 VAL A 66 6.866 -4.858 8.911 1.00 0.00 H new ATOM 0 HG13 VAL A 66 8.560 -4.322 8.800 1.00 0.00 H new ATOM 0 HG21 VAL A 66 9.164 -5.952 6.348 1.00 0.00 H new ATOM 0 HG22 VAL A 66 10.270 -5.817 7.736 1.00 0.00 H new ATOM 0 HG23 VAL A 66 9.791 -7.421 7.133 1.00 0.00 H new ATOM 1124 N GLY A 67 7.368 -6.008 11.622 1.00 0.00 N ATOM 1125 CA GLY A 67 6.466 -6.017 12.807 1.00 0.00 C ATOM 1126 C GLY A 67 7.040 -6.620 14.115 1.00 0.00 C ATOM 1127 O GLY A 67 6.707 -6.134 15.198 1.00 0.00 O ATOM 0 H GLY A 67 8.044 -5.244 11.626 1.00 0.00 H new ATOM 0 HA2 GLY A 67 6.162 -4.990 13.011 1.00 0.00 H new ATOM 0 HA3 GLY A 67 5.565 -6.571 12.544 1.00 0.00 H new ATOM 1131 N LYS A 68 7.849 -7.690 14.036 1.00 0.00 N ATOM 1132 CA LYS A 68 8.324 -8.455 15.221 1.00 0.00 C ATOM 1133 C LYS A 68 9.662 -7.874 15.788 1.00 0.00 C ATOM 1134 O LYS A 68 10.635 -7.688 15.047 1.00 0.00 O ATOM 1135 CB LYS A 68 8.487 -9.959 14.844 1.00 0.00 C ATOM 1136 CG LYS A 68 7.238 -10.665 14.253 1.00 0.00 C ATOM 1137 CD LYS A 68 7.280 -12.201 14.356 1.00 0.00 C ATOM 1138 CE LYS A 68 6.027 -12.851 13.747 1.00 0.00 C ATOM 1139 NZ LYS A 68 6.082 -14.317 13.915 1.00 0.00 N ATOM 0 H LYS A 68 8.198 -8.057 13.150 1.00 0.00 H new ATOM 0 HA LYS A 68 7.577 -8.362 16.009 1.00 0.00 H new ATOM 0 HB2 LYS A 68 9.300 -10.044 14.123 1.00 0.00 H new ATOM 0 HB3 LYS A 68 8.796 -10.503 15.737 1.00 0.00 H new ATOM 0 HG2 LYS A 68 6.349 -10.301 14.768 1.00 0.00 H new ATOM 0 HG3 LYS A 68 7.136 -10.384 13.205 1.00 0.00 H new ATOM 0 HD2 LYS A 68 8.167 -12.575 13.845 1.00 0.00 H new ATOM 0 HD3 LYS A 68 7.368 -12.492 15.403 1.00 0.00 H new ATOM 0 HE2 LYS A 68 5.133 -12.456 14.228 1.00 0.00 H new ATOM 0 HE3 LYS A 68 5.956 -12.601 12.688 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 5.230 -14.746 13.500 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 6.926 -14.690 13.436 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 6.128 -14.549 14.928 1.00 0.00 H new ATOM 1152 N GLU A 69 9.729 -7.618 17.112 1.00 0.00 N ATOM 1153 CA GLU A 69 10.967 -7.103 17.762 1.00 0.00 C ATOM 1154 C GLU A 69 11.983 -8.255 18.072 1.00 0.00 C ATOM 1155 O GLU A 69 11.780 -9.057 18.988 1.00 0.00 O ATOM 1156 CB GLU A 69 10.586 -6.235 18.992 1.00 0.00 C ATOM 1157 CG GLU A 69 11.792 -5.472 19.601 1.00 0.00 C ATOM 1158 CD GLU A 69 11.448 -4.307 20.523 1.00 0.00 C ATOM 1159 OE1 GLU A 69 11.254 -4.421 21.728 1.00 0.00 O ATOM 1160 OE2 GLU A 69 11.416 -3.117 19.856 1.00 0.00 O ATOM 0 H GLU A 69 8.949 -7.757 17.754 1.00 0.00 H new ATOM 0 HA GLU A 69 11.501 -6.451 17.071 1.00 0.00 H new ATOM 0 HB2 GLU A 69 9.821 -5.516 18.698 1.00 0.00 H new ATOM 0 HB3 GLU A 69 10.145 -6.874 19.757 1.00 0.00 H new ATOM 0 HG2 GLU A 69 12.403 -6.183 20.158 1.00 0.00 H new ATOM 0 HG3 GLU A 69 12.408 -5.094 18.785 1.00 0.00 H new ATOM 1168 N PHE A 70 13.073 -8.321 17.290 1.00 0.00 N ATOM 1169 CA PHE A 70 14.090 -9.411 17.371 1.00 0.00 C ATOM 1170 C PHE A 70 15.448 -8.903 17.957 1.00 0.00 C ATOM 1171 O PHE A 70 15.862 -7.770 17.701 1.00 0.00 O ATOM 1172 CB PHE A 70 14.238 -10.068 15.957 1.00 0.00 C ATOM 1173 CG PHE A 70 15.073 -9.316 14.893 1.00 0.00 C ATOM 1174 CD1 PHE A 70 14.565 -8.166 14.280 1.00 0.00 C ATOM 1175 CD2 PHE A 70 16.376 -9.731 14.593 1.00 0.00 C ATOM 1176 CE1 PHE A 70 15.364 -7.417 13.420 1.00 0.00 C ATOM 1177 CE2 PHE A 70 17.164 -8.995 13.711 1.00 0.00 C ATOM 1178 CZ PHE A 70 16.660 -7.834 13.133 1.00 0.00 C ATOM 0 H PHE A 70 13.285 -7.623 16.577 1.00 0.00 H new ATOM 0 HA PHE A 70 13.751 -10.175 18.071 1.00 0.00 H new ATOM 0 HB2 PHE A 70 14.679 -11.056 16.092 1.00 0.00 H new ATOM 0 HB3 PHE A 70 13.237 -10.218 15.552 1.00 0.00 H new ATOM 0 HD1 PHE A 70 13.548 -7.858 14.475 1.00 0.00 H new ATOM 0 HD2 PHE A 70 16.772 -10.627 15.048 1.00 0.00 H new ATOM 0 HE1 PHE A 70 14.977 -6.512 12.975 1.00 0.00 H new ATOM 0 HE2 PHE A 70 18.165 -9.325 13.476 1.00 0.00 H new ATOM 0 HZ PHE A 70 17.276 -7.255 12.460 1.00 0.00 H new ATOM 1188 N GLU A 71 16.206 -9.755 18.667 1.00 0.00 N ATOM 1189 CA GLU A 71 17.618 -9.436 19.036 1.00 0.00 C ATOM 1190 C GLU A 71 18.562 -9.445 17.783 1.00 0.00 C ATOM 1191 O GLU A 71 18.608 -10.456 17.073 1.00 0.00 O ATOM 1192 CB GLU A 71 18.078 -10.379 20.189 1.00 0.00 C ATOM 1193 CG GLU A 71 18.559 -11.824 19.870 1.00 0.00 C ATOM 1194 CD GLU A 71 17.537 -12.767 19.231 1.00 0.00 C ATOM 1195 OE1 GLU A 71 16.932 -13.630 19.859 1.00 0.00 O ATOM 1196 OE2 GLU A 71 17.384 -12.538 17.891 1.00 0.00 O ATOM 0 H GLU A 71 15.880 -10.663 18.999 1.00 0.00 H new ATOM 0 HA GLU A 71 17.678 -8.416 19.415 1.00 0.00 H new ATOM 0 HB2 GLU A 71 18.890 -9.876 20.714 1.00 0.00 H new ATOM 0 HB3 GLU A 71 17.248 -10.462 20.890 1.00 0.00 H new ATOM 0 HG2 GLU A 71 19.420 -11.756 19.205 1.00 0.00 H new ATOM 0 HG3 GLU A 71 18.907 -12.279 20.798 1.00 0.00 H new ATOM 1204 N GLU A 72 19.292 -8.348 17.504 1.00 0.00 N ATOM 1205 CA GLU A 72 20.126 -8.219 16.269 1.00 0.00 C ATOM 1206 C GLU A 72 21.429 -9.089 16.358 1.00 0.00 C ATOM 1207 O GLU A 72 22.446 -8.683 16.924 1.00 0.00 O ATOM 1208 CB GLU A 72 20.391 -6.702 15.997 1.00 0.00 C ATOM 1209 CG GLU A 72 20.280 -6.254 14.519 1.00 0.00 C ATOM 1210 CD GLU A 72 21.304 -6.834 13.547 1.00 0.00 C ATOM 1211 OE1 GLU A 72 22.318 -6.243 13.190 1.00 0.00 O ATOM 1212 OE2 GLU A 72 20.948 -8.072 13.099 1.00 0.00 O ATOM 0 H GLU A 72 19.328 -7.530 18.112 1.00 0.00 H new ATOM 0 HA GLU A 72 19.589 -8.619 15.409 1.00 0.00 H new ATOM 0 HB2 GLU A 72 19.686 -6.118 16.588 1.00 0.00 H new ATOM 0 HB3 GLU A 72 21.390 -6.456 16.358 1.00 0.00 H new ATOM 0 HG2 GLU A 72 19.284 -6.513 14.159 1.00 0.00 H new ATOM 0 HG3 GLU A 72 20.358 -5.167 14.486 1.00 0.00 H new ATOM 1363 N CYS A 82 20.820 -6.240 19.786 1.00 0.00 N ATOM 1364 CA CYS A 82 19.873 -5.131 20.089 1.00 0.00 C ATOM 1365 C CYS A 82 18.395 -5.454 19.708 1.00 0.00 C ATOM 1366 O CYS A 82 18.114 -5.960 18.616 1.00 0.00 O ATOM 1367 CB CYS A 82 20.397 -3.864 19.385 1.00 0.00 C ATOM 1368 SG CYS A 82 22.023 -3.407 20.078 1.00 0.00 S ATOM 0 HA CYS A 82 19.839 -4.977 21.167 1.00 0.00 H new ATOM 0 HB2 CYS A 82 20.484 -4.041 18.313 1.00 0.00 H new ATOM 0 HB3 CYS A 82 19.691 -3.044 19.517 1.00 0.00 H new ATOM 0 HG CYS A 82 22.464 -2.340 19.482 1.00 0.00 H new ATOM 1374 N MET A 83 17.447 -5.134 20.608 1.00 0.00 N ATOM 1375 CA MET A 83 15.998 -5.449 20.439 1.00 0.00 C ATOM 1376 C MET A 83 15.344 -4.576 19.322 1.00 0.00 C ATOM 1377 O MET A 83 15.017 -3.401 19.512 1.00 0.00 O ATOM 1378 CB MET A 83 15.298 -5.268 21.818 1.00 0.00 C ATOM 1379 CG MET A 83 15.493 -6.418 22.833 1.00 0.00 C ATOM 1380 SD MET A 83 14.020 -7.464 22.931 1.00 0.00 S ATOM 1381 CE MET A 83 14.214 -8.534 21.495 1.00 0.00 C ATOM 0 H MET A 83 17.655 -4.647 21.480 1.00 0.00 H new ATOM 0 HA MET A 83 15.879 -6.481 20.109 1.00 0.00 H new ATOM 0 HB2 MET A 83 15.662 -4.345 22.270 1.00 0.00 H new ATOM 0 HB3 MET A 83 14.229 -5.139 21.647 1.00 0.00 H new ATOM 0 HG2 MET A 83 16.352 -7.022 22.541 1.00 0.00 H new ATOM 0 HG3 MET A 83 15.714 -6.004 23.817 1.00 0.00 H new ATOM 0 HE1 MET A 83 13.454 -9.315 21.518 1.00 0.00 H new ATOM 0 HE2 MET A 83 14.102 -7.945 20.585 1.00 0.00 H new ATOM 0 HE3 MET A 83 15.204 -8.991 21.513 1.00 0.00 H new ATOM 1391 N THR A 84 15.221 -5.150 18.121 1.00 0.00 N ATOM 1392 CA THR A 84 15.089 -4.371 16.868 1.00 0.00 C ATOM 1393 C THR A 84 13.673 -4.560 16.258 1.00 0.00 C ATOM 1394 O THR A 84 13.327 -5.649 15.792 1.00 0.00 O ATOM 1395 CB THR A 84 16.239 -4.776 15.900 1.00 0.00 C ATOM 1396 OG1 THR A 84 17.510 -4.499 16.490 1.00 0.00 O ATOM 1397 CG2 THR A 84 16.201 -4.009 14.569 1.00 0.00 C ATOM 0 H THR A 84 15.209 -6.160 17.981 1.00 0.00 H new ATOM 0 HA THR A 84 15.187 -3.304 17.066 1.00 0.00 H new ATOM 0 HB THR A 84 16.098 -5.840 15.712 1.00 0.00 H new ATOM 0 HG1 THR A 84 17.773 -5.247 17.066 1.00 0.00 H new ATOM 0 HG21 THR A 84 17.027 -4.335 13.937 1.00 0.00 H new ATOM 0 HG22 THR A 84 15.257 -4.207 14.062 1.00 0.00 H new ATOM 0 HG23 THR A 84 16.292 -2.940 14.762 1.00 0.00 H new ATOM 1405 N THR A 85 12.883 -3.477 16.214 1.00 0.00 N ATOM 1406 CA THR A 85 11.611 -3.447 15.434 1.00 0.00 C ATOM 1407 C THR A 85 11.893 -2.882 14.008 1.00 0.00 C ATOM 1408 O THR A 85 12.391 -1.759 13.871 1.00 0.00 O ATOM 1409 CB THR A 85 10.548 -2.607 16.200 1.00 0.00 C ATOM 1410 OG1 THR A 85 10.229 -3.225 17.442 1.00 0.00 O ATOM 1411 CG2 THR A 85 9.198 -2.458 15.477 1.00 0.00 C ATOM 0 H THR A 85 13.091 -2.607 16.704 1.00 0.00 H new ATOM 0 HA THR A 85 11.211 -4.454 15.319 1.00 0.00 H new ATOM 0 HB THR A 85 11.015 -1.627 16.300 1.00 0.00 H new ATOM 0 HG1 THR A 85 10.888 -2.960 18.118 1.00 0.00 H new ATOM 0 HG21 THR A 85 8.523 -1.858 16.087 1.00 0.00 H new ATOM 0 HG22 THR A 85 9.352 -1.967 14.516 1.00 0.00 H new ATOM 0 HG23 THR A 85 8.761 -3.443 15.315 1.00 0.00 H new ATOM 1419 N VAL A 86 11.528 -3.645 12.963 1.00 0.00 N ATOM 1420 CA VAL A 86 11.530 -3.154 11.551 1.00 0.00 C ATOM 1421 C VAL A 86 10.040 -3.076 11.064 1.00 0.00 C ATOM 1422 O VAL A 86 9.293 -4.047 11.209 1.00 0.00 O ATOM 1423 CB VAL A 86 12.428 -4.032 10.610 1.00 0.00 C ATOM 1424 CG1 VAL A 86 12.568 -3.393 9.212 1.00 0.00 C ATOM 1425 CG2 VAL A 86 13.870 -4.283 11.106 1.00 0.00 C ATOM 0 H VAL A 86 11.224 -4.614 13.059 1.00 0.00 H new ATOM 0 HA VAL A 86 11.978 -2.161 11.510 1.00 0.00 H new ATOM 0 HB VAL A 86 11.898 -4.984 10.593 1.00 0.00 H new ATOM 0 HG11 VAL A 86 13.196 -4.025 8.584 1.00 0.00 H new ATOM 0 HG12 VAL A 86 11.583 -3.294 8.757 1.00 0.00 H new ATOM 0 HG13 VAL A 86 13.025 -2.408 9.306 1.00 0.00 H new ATOM 0 HG21 VAL A 86 14.402 -4.900 10.381 1.00 0.00 H new ATOM 0 HG22 VAL A 86 14.387 -3.330 11.220 1.00 0.00 H new ATOM 0 HG23 VAL A 86 13.840 -4.797 12.067 1.00 0.00 H new ATOM 1435 N SER A 87 9.614 -1.942 10.477 1.00 0.00 N ATOM 1436 CA SER A 87 8.192 -1.689 10.091 1.00 0.00 C ATOM 1437 C SER A 87 8.074 -1.081 8.651 1.00 0.00 C ATOM 1438 O SER A 87 8.854 -0.205 8.266 1.00 0.00 O ATOM 1439 CB SER A 87 7.545 -0.748 11.136 1.00 0.00 C ATOM 1440 OG SER A 87 7.452 -1.380 12.415 1.00 0.00 O ATOM 0 H SER A 87 10.238 -1.167 10.252 1.00 0.00 H new ATOM 0 HA SER A 87 7.664 -2.642 10.074 1.00 0.00 H new ATOM 0 HB2 SER A 87 8.134 0.165 11.221 1.00 0.00 H new ATOM 0 HB3 SER A 87 6.551 -0.455 10.799 1.00 0.00 H new ATOM 0 HG SER A 87 7.041 -0.763 13.056 1.00 0.00 H new ATOM 1446 N TRP A 88 7.072 -1.504 7.852 1.00 0.00 N ATOM 1447 CA TRP A 88 6.836 -0.939 6.488 1.00 0.00 C ATOM 1448 C TRP A 88 6.053 0.420 6.518 1.00 0.00 C ATOM 1449 O TRP A 88 4.868 0.464 6.861 1.00 0.00 O ATOM 1450 CB TRP A 88 6.070 -1.963 5.593 1.00 0.00 C ATOM 1451 CG TRP A 88 6.897 -2.994 4.811 1.00 0.00 C ATOM 1452 CD1 TRP A 88 6.690 -4.391 4.834 1.00 0.00 C ATOM 1453 CD2 TRP A 88 7.788 -2.773 3.770 1.00 0.00 C ATOM 1454 NE1 TRP A 88 7.459 -5.059 3.861 1.00 0.00 N ATOM 1455 CE2 TRP A 88 8.108 -4.032 3.194 1.00 0.00 C ATOM 1456 CE3 TRP A 88 8.287 -1.572 3.193 1.00 0.00 C ATOM 1457 CZ2 TRP A 88 8.889 -4.094 2.017 1.00 0.00 C ATOM 1458 CZ3 TRP A 88 9.090 -1.665 2.056 1.00 0.00 C ATOM 1459 CH2 TRP A 88 9.372 -2.905 1.469 1.00 0.00 C ATOM 0 H TRP A 88 6.410 -2.233 8.119 1.00 0.00 H new ATOM 0 HA TRP A 88 7.821 -0.741 6.064 1.00 0.00 H new ATOM 0 HB2 TRP A 88 5.373 -2.507 6.230 1.00 0.00 H new ATOM 0 HB3 TRP A 88 5.473 -1.399 4.876 1.00 0.00 H new ATOM 0 HD1 TRP A 88 6.020 -4.889 5.518 1.00 0.00 H new ATOM 0 HE1 TRP A 88 7.523 -6.062 3.688 1.00 0.00 H new ATOM 0 HE3 TRP A 88 8.050 -0.611 3.625 1.00 0.00 H new ATOM 0 HZ2 TRP A 88 9.108 -5.043 1.551 1.00 0.00 H new ATOM 0 HZ3 TRP A 88 9.501 -0.766 1.621 1.00 0.00 H new ATOM 0 HH2 TRP A 88 9.975 -2.942 0.574 1.00 0.00 H new ATOM 1470 N ASP A 89 6.694 1.507 6.061 1.00 0.00 N ATOM 1471 CA ASP A 89 6.017 2.787 5.702 1.00 0.00 C ATOM 1472 C ASP A 89 5.910 2.925 4.136 1.00 0.00 C ATOM 1473 O ASP A 89 6.551 3.784 3.521 1.00 0.00 O ATOM 1474 CB ASP A 89 6.845 3.887 6.436 1.00 0.00 C ATOM 1475 CG ASP A 89 6.368 5.333 6.327 1.00 0.00 C ATOM 1476 OD1 ASP A 89 5.203 5.651 6.104 1.00 0.00 O ATOM 1477 OD2 ASP A 89 7.387 6.227 6.531 1.00 0.00 O ATOM 0 H ASP A 89 7.705 1.534 5.925 1.00 0.00 H new ATOM 0 HA ASP A 89 4.978 2.861 6.023 1.00 0.00 H new ATOM 0 HB2 ASP A 89 6.883 3.626 7.494 1.00 0.00 H new ATOM 0 HB3 ASP A 89 7.867 3.843 6.060 1.00 0.00 H new ATOM 1483 N GLY A 90 5.101 2.057 3.486 1.00 0.00 N ATOM 1484 CA GLY A 90 4.918 2.057 2.005 1.00 0.00 C ATOM 1485 C GLY A 90 6.153 1.629 1.178 1.00 0.00 C ATOM 1486 O GLY A 90 6.520 0.453 1.155 1.00 0.00 O ATOM 0 H GLY A 90 4.557 1.339 3.964 1.00 0.00 H new ATOM 0 HA2 GLY A 90 4.090 1.391 1.759 1.00 0.00 H new ATOM 0 HA3 GLY A 90 4.624 3.059 1.693 1.00 0.00 H new ATOM 1490 N ASP A 91 6.813 2.606 0.538 1.00 0.00 N ATOM 1491 CA ASP A 91 8.201 2.424 0.010 1.00 0.00 C ATOM 1492 C ASP A 91 9.331 2.382 1.103 1.00 0.00 C ATOM 1493 O ASP A 91 10.360 1.738 0.879 1.00 0.00 O ATOM 1494 CB ASP A 91 8.438 3.530 -1.063 1.00 0.00 C ATOM 1495 CG ASP A 91 9.675 3.378 -1.962 1.00 0.00 C ATOM 1496 OD1 ASP A 91 10.268 2.322 -2.151 1.00 0.00 O ATOM 1497 OD2 ASP A 91 10.036 4.554 -2.550 1.00 0.00 O ATOM 0 H ASP A 91 6.422 3.532 0.367 1.00 0.00 H new ATOM 0 HA ASP A 91 8.272 1.431 -0.434 1.00 0.00 H new ATOM 0 HB2 ASP A 91 7.557 3.574 -1.704 1.00 0.00 H new ATOM 0 HB3 ASP A 91 8.508 4.489 -0.550 1.00 0.00 H new ATOM 1503 N LYS A 92 9.171 3.075 2.249 1.00 0.00 N ATOM 1504 CA LYS A 92 10.239 3.242 3.264 1.00 0.00 C ATOM 1505 C LYS A 92 10.164 2.141 4.362 1.00 0.00 C ATOM 1506 O LYS A 92 9.263 2.130 5.200 1.00 0.00 O ATOM 1507 CB LYS A 92 10.164 4.678 3.859 1.00 0.00 C ATOM 1508 CG LYS A 92 10.327 5.862 2.864 1.00 0.00 C ATOM 1509 CD LYS A 92 11.300 6.953 3.347 1.00 0.00 C ATOM 1510 CE LYS A 92 11.435 8.116 2.353 1.00 0.00 C ATOM 1511 NZ LYS A 92 12.458 9.066 2.835 1.00 0.00 N ATOM 0 H LYS A 92 8.297 3.537 2.500 1.00 0.00 H new ATOM 0 HA LYS A 92 11.210 3.120 2.785 1.00 0.00 H new ATOM 0 HB2 LYS A 92 9.203 4.787 4.361 1.00 0.00 H new ATOM 0 HB3 LYS A 92 10.935 4.769 4.624 1.00 0.00 H new ATOM 0 HG2 LYS A 92 10.677 5.474 1.907 1.00 0.00 H new ATOM 0 HG3 LYS A 92 9.350 6.312 2.687 1.00 0.00 H new ATOM 0 HD2 LYS A 92 10.957 7.340 4.307 1.00 0.00 H new ATOM 0 HD3 LYS A 92 12.281 6.509 3.515 1.00 0.00 H new ATOM 0 HE2 LYS A 92 11.712 7.736 1.370 1.00 0.00 H new ATOM 0 HE3 LYS A 92 10.477 8.624 2.240 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 12.547 9.852 2.160 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 12.176 9.438 3.764 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 13.372 8.578 2.920 1.00 0.00 H new ATOM 1524 N LEU A 93 11.133 1.220 4.396 1.00 0.00 N ATOM 1525 CA LEU A 93 11.267 0.232 5.493 1.00 0.00 C ATOM 1526 C LEU A 93 12.006 0.876 6.711 1.00 0.00 C ATOM 1527 O LEU A 93 13.216 1.119 6.679 1.00 0.00 O ATOM 1528 CB LEU A 93 11.968 -1.013 4.898 1.00 0.00 C ATOM 1529 CG LEU A 93 12.043 -2.245 5.828 1.00 0.00 C ATOM 1530 CD1 LEU A 93 10.664 -2.883 6.067 1.00 0.00 C ATOM 1531 CD2 LEU A 93 12.981 -3.293 5.222 1.00 0.00 C ATOM 0 H LEU A 93 11.847 1.131 3.673 1.00 0.00 H new ATOM 0 HA LEU A 93 10.303 -0.084 5.892 1.00 0.00 H new ATOM 0 HB2 LEU A 93 11.446 -1.300 3.985 1.00 0.00 H new ATOM 0 HB3 LEU A 93 12.982 -0.734 4.611 1.00 0.00 H new ATOM 0 HG LEU A 93 12.423 -1.900 6.790 1.00 0.00 H new ATOM 0 HD11 LEU A 93 10.771 -3.744 6.726 1.00 0.00 H new ATOM 0 HD12 LEU A 93 10.000 -2.152 6.529 1.00 0.00 H new ATOM 0 HD13 LEU A 93 10.242 -3.205 5.115 1.00 0.00 H new ATOM 0 HD21 LEU A 93 13.031 -4.160 5.880 1.00 0.00 H new ATOM 0 HD22 LEU A 93 12.603 -3.599 4.247 1.00 0.00 H new ATOM 0 HD23 LEU A 93 13.977 -2.866 5.107 1.00 0.00 H new ATOM 1543 N GLN A 94 11.238 1.183 7.763 1.00 0.00 N ATOM 1544 CA GLN A 94 11.717 1.900 8.976 1.00 0.00 C ATOM 1545 C GLN A 94 12.292 0.898 10.016 1.00 0.00 C ATOM 1546 O GLN A 94 11.764 -0.204 10.176 1.00 0.00 O ATOM 1547 CB GLN A 94 10.513 2.644 9.632 1.00 0.00 C ATOM 1548 CG GLN A 94 9.692 3.628 8.755 1.00 0.00 C ATOM 1549 CD GLN A 94 10.284 4.926 8.202 1.00 0.00 C ATOM 1550 OE1 GLN A 94 9.847 5.407 7.159 1.00 0.00 O ATOM 1551 NE2 GLN A 94 11.228 5.553 8.862 1.00 0.00 N ATOM 0 H GLN A 94 10.248 0.941 7.807 1.00 0.00 H new ATOM 0 HA GLN A 94 12.498 2.601 8.680 1.00 0.00 H new ATOM 0 HB2 GLN A 94 9.827 1.891 10.018 1.00 0.00 H new ATOM 0 HB3 GLN A 94 10.892 3.200 10.490 1.00 0.00 H new ATOM 0 HG2 GLN A 94 9.335 3.058 7.897 1.00 0.00 H new ATOM 0 HG3 GLN A 94 8.815 3.909 9.339 1.00 0.00 H new ATOM 0 HE21 GLN A 94 11.594 5.157 9.728 1.00 0.00 H new ATOM 0 HE22 GLN A 94 11.597 6.436 8.509 1.00 0.00 H new ATOM 1560 N CYS A 95 13.324 1.295 10.768 1.00 0.00 N ATOM 1561 CA CYS A 95 13.934 0.431 11.809 1.00 0.00 C ATOM 1562 C CYS A 95 14.391 1.237 13.054 1.00 0.00 C ATOM 1563 O CYS A 95 15.091 2.249 12.934 1.00 0.00 O ATOM 1564 CB CYS A 95 15.112 -0.338 11.183 1.00 0.00 C ATOM 1565 SG CYS A 95 15.951 -1.391 12.416 1.00 0.00 S ATOM 0 H CYS A 95 13.763 2.212 10.682 1.00 0.00 H new ATOM 0 HA CYS A 95 13.179 -0.270 12.165 1.00 0.00 H new ATOM 0 HB2 CYS A 95 14.750 -0.956 10.361 1.00 0.00 H new ATOM 0 HB3 CYS A 95 15.826 0.369 10.760 1.00 0.00 H new ATOM 0 HG CYS A 95 17.076 -1.821 11.926 1.00 0.00 H new ATOM 1571 N VAL A 96 14.049 0.732 14.252 1.00 0.00 N ATOM 1572 CA VAL A 96 14.654 1.197 15.536 1.00 0.00 C ATOM 1573 C VAL A 96 15.395 -0.006 16.212 1.00 0.00 C ATOM 1574 O VAL A 96 14.797 -1.059 16.460 1.00 0.00 O ATOM 1575 CB VAL A 96 13.596 1.919 16.440 1.00 0.00 C ATOM 1576 CG1 VAL A 96 12.429 1.043 16.952 1.00 0.00 C ATOM 1577 CG2 VAL A 96 14.252 2.630 17.646 1.00 0.00 C ATOM 0 H VAL A 96 13.353 -0.004 14.370 1.00 0.00 H new ATOM 0 HA VAL A 96 15.406 1.964 15.352 1.00 0.00 H new ATOM 0 HB VAL A 96 13.155 2.644 15.756 1.00 0.00 H new ATOM 0 HG11 VAL A 96 11.762 1.648 17.566 1.00 0.00 H new ATOM 0 HG12 VAL A 96 11.876 0.641 16.103 1.00 0.00 H new ATOM 0 HG13 VAL A 96 12.825 0.222 17.549 1.00 0.00 H new ATOM 0 HG21 VAL A 96 13.482 3.117 18.245 1.00 0.00 H new ATOM 0 HG22 VAL A 96 14.778 1.898 18.258 1.00 0.00 H new ATOM 0 HG23 VAL A 96 14.959 3.378 17.287 1.00 0.00 H new ATOM 1587 N GLN A 97 16.698 0.157 16.503 1.00 0.00 N ATOM 1588 CA GLN A 97 17.547 -0.906 17.113 1.00 0.00 C ATOM 1589 C GLN A 97 17.782 -0.581 18.620 1.00 0.00 C ATOM 1590 O GLN A 97 18.660 0.217 18.962 1.00 0.00 O ATOM 1591 CB GLN A 97 18.889 -0.976 16.329 1.00 0.00 C ATOM 1592 CG GLN A 97 18.806 -1.491 14.868 1.00 0.00 C ATOM 1593 CD GLN A 97 20.113 -1.425 14.079 1.00 0.00 C ATOM 1594 OE1 GLN A 97 20.779 -2.426 13.843 1.00 0.00 O ATOM 1595 NE2 GLN A 97 20.506 -0.257 13.626 1.00 0.00 N ATOM 0 H GLN A 97 17.201 1.026 16.325 1.00 0.00 H new ATOM 0 HA GLN A 97 17.055 -1.877 17.054 1.00 0.00 H new ATOM 0 HB2 GLN A 97 19.330 0.021 16.316 1.00 0.00 H new ATOM 0 HB3 GLN A 97 19.574 -1.620 16.880 1.00 0.00 H new ATOM 0 HG2 GLN A 97 18.461 -2.525 14.883 1.00 0.00 H new ATOM 0 HG3 GLN A 97 18.051 -0.911 14.338 1.00 0.00 H new ATOM 0 HE21 GLN A 97 19.953 0.578 13.821 1.00 0.00 H new ATOM 0 HE22 GLN A 97 21.364 -0.185 13.079 1.00 0.00 H new ATOM 1604 N LYS A 98 16.997 -1.175 19.537 1.00 0.00 N ATOM 1605 CA LYS A 98 17.011 -0.772 20.973 1.00 0.00 C ATOM 1606 C LYS A 98 18.170 -1.471 21.750 1.00 0.00 C ATOM 1607 O LYS A 98 18.181 -2.690 21.958 1.00 0.00 O ATOM 1608 CB LYS A 98 15.648 -1.058 21.644 1.00 0.00 C ATOM 1609 CG LYS A 98 14.419 -0.347 21.028 1.00 0.00 C ATOM 1610 CD LYS A 98 13.115 -0.823 21.685 1.00 0.00 C ATOM 1611 CE LYS A 98 11.870 -0.236 21.000 1.00 0.00 C ATOM 1612 NZ LYS A 98 10.654 -0.888 21.523 1.00 0.00 N ATOM 0 H LYS A 98 16.347 -1.931 19.321 1.00 0.00 H new ATOM 0 HA LYS A 98 17.188 0.303 21.010 1.00 0.00 H new ATOM 0 HB2 LYS A 98 15.471 -2.133 21.616 1.00 0.00 H new ATOM 0 HB3 LYS A 98 15.717 -0.774 22.694 1.00 0.00 H new ATOM 0 HG2 LYS A 98 14.519 0.731 21.152 1.00 0.00 H new ATOM 0 HG3 LYS A 98 14.382 -0.542 19.956 1.00 0.00 H new ATOM 0 HD2 LYS A 98 13.068 -1.911 21.648 1.00 0.00 H new ATOM 0 HD3 LYS A 98 13.116 -0.539 22.737 1.00 0.00 H new ATOM 0 HE2 LYS A 98 11.821 0.839 21.175 1.00 0.00 H new ATOM 0 HE3 LYS A 98 11.935 -0.381 19.922 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 9.822 -0.311 21.286 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 10.555 -1.831 21.096 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 10.728 -0.982 22.556 1.00 0.00 H new ATOM 1625 N GLY A 99 19.155 -0.668 22.159 1.00 0.00 N ATOM 1626 CA GLY A 99 20.406 -1.187 22.763 1.00 0.00 C ATOM 1627 C GLY A 99 21.545 -0.153 22.762 1.00 0.00 C ATOM 1628 O GLY A 99 22.169 0.076 21.721 1.00 0.00 O ATOM 0 H GLY A 99 19.120 0.349 22.087 1.00 0.00 H new ATOM 0 HA2 GLY A 99 20.206 -1.499 23.788 1.00 0.00 H new ATOM 0 HA3 GLY A 99 20.727 -2.074 22.216 1.00 0.00 H new ATOM 1632 N GLU A 100 21.825 0.446 23.935 1.00 0.00 N ATOM 1633 CA GLU A 100 22.975 1.380 24.163 1.00 0.00 C ATOM 1634 C GLU A 100 22.879 2.779 23.460 1.00 0.00 C ATOM 1635 O GLU A 100 22.767 3.808 24.136 1.00 0.00 O ATOM 1636 CB GLU A 100 24.358 0.679 23.991 1.00 0.00 C ATOM 1637 CG GLU A 100 24.692 -0.422 25.029 1.00 0.00 C ATOM 1638 CD GLU A 100 26.014 -1.136 24.757 1.00 0.00 C ATOM 1639 OE1 GLU A 100 26.098 -2.243 24.236 1.00 0.00 O ATOM 1640 OE2 GLU A 100 27.090 -0.407 25.164 1.00 0.00 O ATOM 0 H GLU A 100 21.259 0.301 24.771 1.00 0.00 H new ATOM 0 HA GLU A 100 22.889 1.648 25.216 1.00 0.00 H new ATOM 0 HB2 GLU A 100 24.398 0.237 22.995 1.00 0.00 H new ATOM 0 HB3 GLU A 100 25.137 1.440 24.034 1.00 0.00 H new ATOM 0 HG2 GLU A 100 24.728 0.025 26.022 1.00 0.00 H new ATOM 0 HG3 GLU A 100 23.887 -1.157 25.039 1.00 0.00 H new ATOM 1648 N LYS A 101 22.964 2.832 22.119 1.00 0.00 N ATOM 1649 CA LYS A 101 23.088 4.112 21.367 1.00 0.00 C ATOM 1650 C LYS A 101 21.698 4.786 21.167 1.00 0.00 C ATOM 1651 O LYS A 101 20.721 4.163 20.742 1.00 0.00 O ATOM 1652 CB LYS A 101 23.867 3.894 20.035 1.00 0.00 C ATOM 1653 CG LYS A 101 25.406 4.020 20.138 1.00 0.00 C ATOM 1654 CD LYS A 101 26.085 2.939 20.995 1.00 0.00 C ATOM 1655 CE LYS A 101 27.574 3.216 21.229 1.00 0.00 C ATOM 1656 NZ LYS A 101 28.174 2.089 21.968 1.00 0.00 N ATOM 0 H LYS A 101 22.950 2.004 21.524 1.00 0.00 H new ATOM 0 HA LYS A 101 23.677 4.813 21.959 1.00 0.00 H new ATOM 0 HB2 LYS A 101 23.625 2.903 19.651 1.00 0.00 H new ATOM 0 HB3 LYS A 101 23.509 4.616 19.302 1.00 0.00 H new ATOM 0 HG2 LYS A 101 25.827 3.985 19.133 1.00 0.00 H new ATOM 0 HG3 LYS A 101 25.650 4.998 20.552 1.00 0.00 H new ATOM 0 HD2 LYS A 101 25.577 2.872 21.957 1.00 0.00 H new ATOM 0 HD3 LYS A 101 25.972 1.971 20.507 1.00 0.00 H new ATOM 0 HE2 LYS A 101 28.084 3.352 20.275 1.00 0.00 H new ATOM 0 HE3 LYS A 101 27.699 4.141 21.792 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 29.134 2.347 22.275 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 27.591 1.871 22.801 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 28.220 1.254 21.350 1.00 0.00 H new ATOM 1669 N GLU A 102 21.622 6.080 21.509 1.00 0.00 N ATOM 1670 CA GLU A 102 20.320 6.773 21.749 1.00 0.00 C ATOM 1671 C GLU A 102 19.404 6.970 20.496 1.00 0.00 C ATOM 1672 O GLU A 102 18.215 6.653 20.565 1.00 0.00 O ATOM 1673 CB GLU A 102 20.596 8.090 22.527 1.00 0.00 C ATOM 1674 CG GLU A 102 21.304 7.967 23.908 1.00 0.00 C ATOM 1675 CD GLU A 102 20.512 7.221 24.987 1.00 0.00 C ATOM 1676 OE1 GLU A 102 19.689 7.773 25.711 1.00 0.00 O ATOM 1677 OE2 GLU A 102 20.821 5.888 25.047 1.00 0.00 O ATOM 0 H GLU A 102 22.439 6.679 21.629 1.00 0.00 H new ATOM 0 HA GLU A 102 19.710 6.103 22.355 1.00 0.00 H new ATOM 0 HB2 GLU A 102 21.203 8.736 21.893 1.00 0.00 H new ATOM 0 HB3 GLU A 102 19.644 8.598 22.680 1.00 0.00 H new ATOM 0 HG2 GLU A 102 22.258 7.459 23.765 1.00 0.00 H new ATOM 0 HG3 GLU A 102 21.528 8.969 24.273 1.00 0.00 H new ATOM 1685 N GLY A 103 19.953 7.426 19.357 1.00 0.00 N ATOM 1686 CA GLY A 103 19.253 7.328 18.045 1.00 0.00 C ATOM 1687 C GLY A 103 19.727 6.190 17.116 1.00 0.00 C ATOM 1688 O GLY A 103 20.062 6.469 15.966 1.00 0.00 O ATOM 0 H GLY A 103 20.873 7.865 19.308 1.00 0.00 H new ATOM 0 HA2 GLY A 103 18.187 7.199 18.232 1.00 0.00 H new ATOM 0 HA3 GLY A 103 19.372 8.275 17.519 1.00 0.00 H new ATOM 1692 N ARG A 104 19.735 4.929 17.586 1.00 0.00 N ATOM 1693 CA ARG A 104 20.188 3.761 16.780 1.00 0.00 C ATOM 1694 C ARG A 104 19.041 3.184 15.885 1.00 0.00 C ATOM 1695 O ARG A 104 18.021 2.699 16.388 1.00 0.00 O ATOM 1696 CB ARG A 104 20.793 2.708 17.745 1.00 0.00 C ATOM 1697 CG ARG A 104 21.778 1.710 17.091 1.00 0.00 C ATOM 1698 CD ARG A 104 22.207 0.591 18.061 1.00 0.00 C ATOM 1699 NE ARG A 104 23.431 -0.090 17.557 1.00 0.00 N ATOM 1700 CZ ARG A 104 23.502 -1.336 17.097 1.00 0.00 C ATOM 1701 NH1 ARG A 104 22.467 -2.121 16.907 1.00 0.00 N ATOM 1702 NH2 ARG A 104 24.681 -1.812 16.811 1.00 0.00 N ATOM 0 H ARG A 104 19.431 4.683 18.528 1.00 0.00 H new ATOM 0 HA ARG A 104 20.958 4.075 16.076 1.00 0.00 H new ATOM 0 HB2 ARG A 104 21.310 3.230 18.550 1.00 0.00 H new ATOM 0 HB3 ARG A 104 19.979 2.145 18.201 1.00 0.00 H new ATOM 0 HG2 ARG A 104 21.312 1.266 16.211 1.00 0.00 H new ATOM 0 HG3 ARG A 104 22.661 2.248 16.747 1.00 0.00 H new ATOM 0 HD2 ARG A 104 22.397 1.010 19.049 1.00 0.00 H new ATOM 0 HD3 ARG A 104 21.400 -0.133 18.172 1.00 0.00 H new ATOM 0 HE ARG A 104 24.297 0.450 17.565 1.00 0.00 H new ATOM 0 HH11 ARG A 104 21.527 -1.785 17.116 1.00 0.00 H new ATOM 0 HH12 ARG A 104 22.603 -3.067 16.550 1.00 0.00 H new ATOM 0 HH21 ARG A 104 25.510 -1.233 16.942 1.00 0.00 H new ATOM 0 HH22 ARG A 104 24.774 -2.764 16.456 1.00 0.00 H new ATOM 1716 N GLY A 105 19.210 3.235 14.556 1.00 0.00 N ATOM 1717 CA GLY A 105 18.141 2.820 13.608 1.00 0.00 C ATOM 1718 C GLY A 105 18.494 2.973 12.115 1.00 0.00 C ATOM 1719 O GLY A 105 19.629 3.286 11.742 1.00 0.00 O ATOM 0 H GLY A 105 20.067 3.556 14.106 1.00 0.00 H new ATOM 0 HA2 GLY A 105 17.891 1.777 13.801 1.00 0.00 H new ATOM 0 HA3 GLY A 105 17.246 3.406 13.815 1.00 0.00 H new ATOM 1723 N TRP A 106 17.499 2.739 11.247 1.00 0.00 N ATOM 1724 CA TRP A 106 17.648 2.952 9.778 1.00 0.00 C ATOM 1725 C TRP A 106 16.295 3.215 9.034 1.00 0.00 C ATOM 1726 O TRP A 106 15.189 3.099 9.574 1.00 0.00 O ATOM 1727 CB TRP A 106 18.582 1.888 9.101 1.00 0.00 C ATOM 1728 CG TRP A 106 18.292 0.392 9.256 1.00 0.00 C ATOM 1729 CD1 TRP A 106 18.981 -0.466 10.138 1.00 0.00 C ATOM 1730 CD2 TRP A 106 17.414 -0.421 8.559 1.00 0.00 C ATOM 1731 NE1 TRP A 106 18.548 -1.798 10.021 1.00 0.00 N ATOM 1732 CE2 TRP A 106 17.575 -1.748 9.037 1.00 0.00 C ATOM 1733 CE3 TRP A 106 16.443 -0.129 7.568 1.00 0.00 C ATOM 1734 CZ2 TRP A 106 16.763 -2.790 8.529 1.00 0.00 C ATOM 1735 CZ3 TRP A 106 15.649 -1.171 7.090 1.00 0.00 C ATOM 1736 CH2 TRP A 106 15.810 -2.482 7.557 1.00 0.00 C ATOM 0 H TRP A 106 16.577 2.402 11.525 1.00 0.00 H new ATOM 0 HA TRP A 106 18.181 3.896 9.665 1.00 0.00 H new ATOM 0 HB2 TRP A 106 18.596 2.105 8.033 1.00 0.00 H new ATOM 0 HB3 TRP A 106 19.591 2.061 9.474 1.00 0.00 H new ATOM 0 HD1 TRP A 106 19.750 -0.138 10.822 1.00 0.00 H new ATOM 0 HE1 TRP A 106 18.875 -2.613 10.541 1.00 0.00 H new ATOM 0 HE3 TRP A 106 16.321 0.876 7.192 1.00 0.00 H new ATOM 0 HZ2 TRP A 106 16.878 -3.803 8.886 1.00 0.00 H new ATOM 0 HZ3 TRP A 106 14.895 -0.963 6.345 1.00 0.00 H new ATOM 0 HH2 TRP A 106 15.186 -3.268 7.158 1.00 0.00 H new ATOM 1747 N THR A 107 16.385 3.659 7.771 1.00 0.00 N ATOM 1748 CA THR A 107 15.216 3.847 6.866 1.00 0.00 C ATOM 1749 C THR A 107 15.671 3.486 5.417 1.00 0.00 C ATOM 1750 O THR A 107 16.532 4.158 4.838 1.00 0.00 O ATOM 1751 CB THR A 107 14.649 5.286 7.027 1.00 0.00 C ATOM 1752 OG1 THR A 107 14.206 5.447 8.371 1.00 0.00 O ATOM 1753 CG2 THR A 107 13.441 5.597 6.135 1.00 0.00 C ATOM 0 H THR A 107 17.274 3.903 7.335 1.00 0.00 H new ATOM 0 HA THR A 107 14.388 3.185 7.119 1.00 0.00 H new ATOM 0 HB THR A 107 15.458 5.958 6.742 1.00 0.00 H new ATOM 0 HG1 THR A 107 14.363 4.618 8.869 1.00 0.00 H new ATOM 0 HG21 THR A 107 13.111 6.621 6.313 1.00 0.00 H new ATOM 0 HG22 THR A 107 13.723 5.483 5.088 1.00 0.00 H new ATOM 0 HG23 THR A 107 12.629 4.909 6.369 1.00 0.00 H new ATOM 1761 N GLN A 108 15.105 2.408 4.849 1.00 0.00 N ATOM 1762 CA GLN A 108 15.523 1.857 3.527 1.00 0.00 C ATOM 1763 C GLN A 108 14.385 1.990 2.468 1.00 0.00 C ATOM 1764 O GLN A 108 13.262 1.554 2.723 1.00 0.00 O ATOM 1765 CB GLN A 108 15.940 0.383 3.771 1.00 0.00 C ATOM 1766 CG GLN A 108 16.703 -0.276 2.601 1.00 0.00 C ATOM 1767 CD GLN A 108 17.171 -1.709 2.888 1.00 0.00 C ATOM 1768 OE1 GLN A 108 16.400 -2.589 3.252 1.00 0.00 O ATOM 1769 NE2 GLN A 108 18.439 -2.006 2.733 1.00 0.00 N ATOM 0 H GLN A 108 14.344 1.887 5.285 1.00 0.00 H new ATOM 0 HA GLN A 108 16.361 2.418 3.114 1.00 0.00 H new ATOM 0 HB2 GLN A 108 16.564 0.340 4.664 1.00 0.00 H new ATOM 0 HB3 GLN A 108 15.045 -0.203 3.979 1.00 0.00 H new ATOM 0 HG2 GLN A 108 16.060 -0.284 1.721 1.00 0.00 H new ATOM 0 HG3 GLN A 108 17.571 0.336 2.356 1.00 0.00 H new ATOM 0 HE21 GLN A 108 19.098 -1.288 2.431 1.00 0.00 H new ATOM 0 HE22 GLN A 108 18.766 -2.955 2.915 1.00 0.00 H new ATOM 1778 N TRP A 109 14.643 2.573 1.283 1.00 0.00 N ATOM 1779 CA TRP A 109 13.573 2.847 0.272 1.00 0.00 C ATOM 1780 C TRP A 109 14.072 2.770 -1.206 1.00 0.00 C ATOM 1781 O TRP A 109 15.247 3.015 -1.482 1.00 0.00 O ATOM 1782 CB TRP A 109 12.869 4.195 0.625 1.00 0.00 C ATOM 1783 CG TRP A 109 13.566 5.508 0.245 1.00 0.00 C ATOM 1784 CD1 TRP A 109 13.432 6.176 -0.989 1.00 0.00 C ATOM 1785 CD2 TRP A 109 14.463 6.259 0.981 1.00 0.00 C ATOM 1786 NE1 TRP A 109 14.237 7.329 -1.046 1.00 0.00 N ATOM 1787 CE2 TRP A 109 14.861 7.362 0.186 1.00 0.00 C ATOM 1788 CE3 TRP A 109 15.026 6.062 2.269 1.00 0.00 C ATOM 1789 CZ2 TRP A 109 15.839 8.263 0.660 1.00 0.00 C ATOM 1790 CZ3 TRP A 109 15.981 6.972 2.722 1.00 0.00 C ATOM 1791 CH2 TRP A 109 16.382 8.056 1.929 1.00 0.00 C ATOM 0 H TRP A 109 15.575 2.867 0.991 1.00 0.00 H new ATOM 0 HA TRP A 109 12.834 2.048 0.329 1.00 0.00 H new ATOM 0 HB2 TRP A 109 11.888 4.191 0.149 1.00 0.00 H new ATOM 0 HB3 TRP A 109 12.701 4.209 1.702 1.00 0.00 H new ATOM 0 HD1 TRP A 109 12.791 5.844 -1.792 1.00 0.00 H new ATOM 0 HE1 TRP A 109 14.337 7.988 -1.818 1.00 0.00 H new ATOM 0 HE3 TRP A 109 14.722 5.227 2.884 1.00 0.00 H new ATOM 0 HZ2 TRP A 109 16.161 9.096 0.053 1.00 0.00 H new ATOM 0 HZ3 TRP A 109 16.419 6.839 3.700 1.00 0.00 H new ATOM 0 HH2 TRP A 109 17.124 8.743 2.307 1.00 0.00 H new ATOM 1802 N ILE A 110 13.181 2.486 -2.175 1.00 0.00 N ATOM 1803 CA ILE A 110 13.548 2.455 -3.628 1.00 0.00 C ATOM 1804 C ILE A 110 13.145 3.800 -4.335 1.00 0.00 C ATOM 1805 O ILE A 110 12.012 4.283 -4.219 1.00 0.00 O ATOM 1806 CB ILE A 110 12.999 1.157 -4.330 1.00 0.00 C ATOM 1807 CG1 ILE A 110 13.705 -0.122 -3.788 1.00 0.00 C ATOM 1808 CG2 ILE A 110 13.153 1.176 -5.878 1.00 0.00 C ATOM 1809 CD1 ILE A 110 13.034 -1.447 -4.169 1.00 0.00 C ATOM 0 H ILE A 110 12.200 2.273 -1.992 1.00 0.00 H new ATOM 0 HA ILE A 110 14.632 2.389 -3.722 1.00 0.00 H new ATOM 0 HB ILE A 110 11.935 1.138 -4.092 1.00 0.00 H new ATOM 0 HG12 ILE A 110 14.732 -0.134 -4.154 1.00 0.00 H new ATOM 0 HG13 ILE A 110 13.755 -0.057 -2.701 1.00 0.00 H new ATOM 0 HG21 ILE A 110 12.754 0.251 -6.295 1.00 0.00 H new ATOM 0 HG22 ILE A 110 12.605 2.025 -6.288 1.00 0.00 H new ATOM 0 HG23 ILE A 110 14.208 1.266 -6.138 1.00 0.00 H new ATOM 0 HD11 ILE A 110 13.600 -2.277 -3.745 1.00 0.00 H new ATOM 0 HD12 ILE A 110 12.016 -1.465 -3.779 1.00 0.00 H new ATOM 0 HD13 ILE A 110 13.008 -1.543 -5.254 1.00 0.00 H new ATOM 1821 N GLU A 111 14.089 4.331 -5.133 1.00 0.00 N ATOM 1822 CA GLU A 111 13.823 5.358 -6.180 1.00 0.00 C ATOM 1823 C GLU A 111 14.254 4.772 -7.568 1.00 0.00 C ATOM 1824 O GLU A 111 15.418 4.870 -7.974 1.00 0.00 O ATOM 1825 CB GLU A 111 14.593 6.668 -5.848 1.00 0.00 C ATOM 1826 CG GLU A 111 13.988 7.507 -4.699 1.00 0.00 C ATOM 1827 CD GLU A 111 14.847 8.705 -4.304 1.00 0.00 C ATOM 1828 OE1 GLU A 111 15.599 8.718 -3.335 1.00 0.00 O ATOM 1829 OE2 GLU A 111 14.679 9.764 -5.142 1.00 0.00 O ATOM 0 H GLU A 111 15.071 4.062 -5.076 1.00 0.00 H new ATOM 0 HA GLU A 111 12.762 5.605 -6.214 1.00 0.00 H new ATOM 0 HB2 GLU A 111 15.620 6.412 -5.589 1.00 0.00 H new ATOM 0 HB3 GLU A 111 14.634 7.285 -6.746 1.00 0.00 H new ATOM 0 HG2 GLU A 111 13.001 7.860 -4.998 1.00 0.00 H new ATOM 0 HG3 GLU A 111 13.847 6.868 -3.828 1.00 0.00 H new ATOM 1837 N GLY A 112 13.314 4.129 -8.289 1.00 0.00 N ATOM 1838 CA GLY A 112 13.603 3.484 -9.603 1.00 0.00 C ATOM 1839 C GLY A 112 14.497 2.223 -9.528 1.00 0.00 C ATOM 1840 O GLY A 112 14.092 1.209 -8.956 1.00 0.00 O ATOM 0 H GLY A 112 12.343 4.038 -7.990 1.00 0.00 H new ATOM 0 HA2 GLY A 112 12.658 3.214 -10.074 1.00 0.00 H new ATOM 0 HA3 GLY A 112 14.085 4.215 -10.252 1.00 0.00 H new ATOM 1844 N ASP A 113 15.721 2.299 -10.075 1.00 0.00 N ATOM 1845 CA ASP A 113 16.779 1.266 -9.837 1.00 0.00 C ATOM 1846 C ASP A 113 17.656 1.413 -8.540 1.00 0.00 C ATOM 1847 O ASP A 113 18.435 0.497 -8.253 1.00 0.00 O ATOM 1848 CB ASP A 113 17.642 1.122 -11.124 1.00 0.00 C ATOM 1849 CG ASP A 113 18.416 2.351 -11.621 1.00 0.00 C ATOM 1850 OD1 ASP A 113 18.222 2.883 -12.708 1.00 0.00 O ATOM 1851 OD2 ASP A 113 19.334 2.795 -10.722 1.00 0.00 O ATOM 0 H ASP A 113 16.016 3.060 -10.687 1.00 0.00 H new ATOM 0 HA ASP A 113 16.238 0.345 -9.622 1.00 0.00 H new ATOM 0 HB2 ASP A 113 18.362 0.322 -10.954 1.00 0.00 H new ATOM 0 HB3 ASP A 113 16.985 0.794 -11.930 1.00 0.00 H new ATOM 1857 N GLU A 114 17.573 2.524 -7.778 1.00 0.00 N ATOM 1858 CA GLU A 114 18.424 2.758 -6.583 1.00 0.00 C ATOM 1859 C GLU A 114 17.654 2.430 -5.266 1.00 0.00 C ATOM 1860 O GLU A 114 16.584 2.977 -4.992 1.00 0.00 O ATOM 1861 CB GLU A 114 18.932 4.225 -6.554 1.00 0.00 C ATOM 1862 CG GLU A 114 19.939 4.618 -7.664 1.00 0.00 C ATOM 1863 CD GLU A 114 20.442 6.060 -7.565 1.00 0.00 C ATOM 1864 OE1 GLU A 114 19.709 7.042 -7.493 1.00 0.00 O ATOM 1865 OE2 GLU A 114 21.801 6.139 -7.581 1.00 0.00 O ATOM 0 H GLU A 114 16.919 3.283 -7.969 1.00 0.00 H new ATOM 0 HA GLU A 114 19.281 2.089 -6.651 1.00 0.00 H new ATOM 0 HB2 GLU A 114 18.070 4.888 -6.622 1.00 0.00 H new ATOM 0 HB3 GLU A 114 19.399 4.408 -5.586 1.00 0.00 H new ATOM 0 HG2 GLU A 114 20.793 3.942 -7.621 1.00 0.00 H new ATOM 0 HG3 GLU A 114 19.467 4.474 -8.636 1.00 0.00 H new ATOM 1873 N LEU A 115 18.254 1.574 -4.431 1.00 0.00 N ATOM 1874 CA LEU A 115 17.873 1.390 -3.008 1.00 0.00 C ATOM 1875 C LEU A 115 18.684 2.394 -2.127 1.00 0.00 C ATOM 1876 O LEU A 115 19.915 2.333 -2.035 1.00 0.00 O ATOM 1877 CB LEU A 115 18.167 -0.095 -2.671 1.00 0.00 C ATOM 1878 CG LEU A 115 17.861 -0.614 -1.245 1.00 0.00 C ATOM 1879 CD1 LEU A 115 16.353 -0.833 -1.023 1.00 0.00 C ATOM 1880 CD2 LEU A 115 18.599 -1.947 -1.026 1.00 0.00 C ATOM 0 H LEU A 115 19.029 0.977 -4.719 1.00 0.00 H new ATOM 0 HA LEU A 115 16.821 1.598 -2.815 1.00 0.00 H new ATOM 0 HB2 LEU A 115 17.604 -0.710 -3.373 1.00 0.00 H new ATOM 0 HB3 LEU A 115 19.224 -0.274 -2.867 1.00 0.00 H new ATOM 0 HG LEU A 115 18.199 0.140 -0.534 1.00 0.00 H new ATOM 0 HD11 LEU A 115 16.184 -1.197 -0.010 1.00 0.00 H new ATOM 0 HD12 LEU A 115 15.824 0.110 -1.163 1.00 0.00 H new ATOM 0 HD13 LEU A 115 15.983 -1.567 -1.739 1.00 0.00 H new ATOM 0 HD21 LEU A 115 18.388 -2.319 -0.023 1.00 0.00 H new ATOM 0 HD22 LEU A 115 18.260 -2.676 -1.762 1.00 0.00 H new ATOM 0 HD23 LEU A 115 19.672 -1.791 -1.137 1.00 0.00 H new ATOM 1892 N HIS A 116 17.971 3.323 -1.489 1.00 0.00 N ATOM 1893 CA HIS A 116 18.563 4.378 -0.631 1.00 0.00 C ATOM 1894 C HIS A 116 18.379 3.975 0.861 1.00 0.00 C ATOM 1895 O HIS A 116 17.256 3.820 1.350 1.00 0.00 O ATOM 1896 CB HIS A 116 17.866 5.730 -0.928 1.00 0.00 C ATOM 1897 CG HIS A 116 18.284 6.447 -2.213 1.00 0.00 C ATOM 1898 ND1 HIS A 116 17.940 6.030 -3.492 1.00 0.00 N ATOM 1899 CD2 HIS A 116 19.003 7.653 -2.262 1.00 0.00 C ATOM 1900 CE1 HIS A 116 18.516 7.044 -4.213 1.00 0.00 C ATOM 1901 NE2 HIS A 116 19.188 8.049 -3.573 1.00 0.00 N ATOM 0 H HIS A 116 16.954 3.374 -1.547 1.00 0.00 H new ATOM 0 HA HIS A 116 19.628 4.486 -0.838 1.00 0.00 H new ATOM 0 HB2 HIS A 116 16.790 5.557 -0.968 1.00 0.00 H new ATOM 0 HB3 HIS A 116 18.050 6.400 -0.088 1.00 0.00 H new ATOM 0 HD2 HIS A 116 19.360 8.194 -1.398 1.00 0.00 H new ATOM 0 HE1 HIS A 116 18.439 7.049 -5.290 1.00 0.00 H new ATOM 0 HE2 HIS A 116 19.682 8.856 -3.953 1.00 0.00 H new ATOM 1909 N LEU A 117 19.499 3.812 1.573 1.00 0.00 N ATOM 1910 CA LEU A 117 19.514 3.443 3.009 1.00 0.00 C ATOM 1911 C LEU A 117 20.076 4.628 3.848 1.00 0.00 C ATOM 1912 O LEU A 117 21.266 4.952 3.769 1.00 0.00 O ATOM 1913 CB LEU A 117 20.350 2.138 3.149 1.00 0.00 C ATOM 1914 CG LEU A 117 20.497 1.570 4.585 1.00 0.00 C ATOM 1915 CD1 LEU A 117 19.185 1.003 5.140 1.00 0.00 C ATOM 1916 CD2 LEU A 117 21.571 0.473 4.630 1.00 0.00 C ATOM 0 H LEU A 117 20.431 3.931 1.175 1.00 0.00 H new ATOM 0 HA LEU A 117 18.512 3.250 3.392 1.00 0.00 H new ATOM 0 HB2 LEU A 117 19.895 1.371 2.522 1.00 0.00 H new ATOM 0 HB3 LEU A 117 21.347 2.325 2.751 1.00 0.00 H new ATOM 0 HG LEU A 117 20.792 2.412 5.212 1.00 0.00 H new ATOM 0 HD11 LEU A 117 19.351 0.621 6.147 1.00 0.00 H new ATOM 0 HD12 LEU A 117 18.432 1.791 5.170 1.00 0.00 H new ATOM 0 HD13 LEU A 117 18.838 0.194 4.497 1.00 0.00 H new ATOM 0 HD21 LEU A 117 21.657 0.089 5.647 1.00 0.00 H new ATOM 0 HD22 LEU A 117 21.291 -0.338 3.958 1.00 0.00 H new ATOM 0 HD23 LEU A 117 22.529 0.889 4.317 1.00 0.00 H new ATOM 1928 N GLU A 118 19.235 5.222 4.708 1.00 0.00 N ATOM 1929 CA GLU A 118 19.717 6.105 5.806 1.00 0.00 C ATOM 1930 C GLU A 118 19.979 5.258 7.085 1.00 0.00 C ATOM 1931 O GLU A 118 19.079 4.546 7.530 1.00 0.00 O ATOM 1932 CB GLU A 118 18.667 7.212 6.104 1.00 0.00 C ATOM 1933 CG GLU A 118 18.699 8.410 5.131 1.00 0.00 C ATOM 1934 CD GLU A 118 17.584 9.431 5.367 1.00 0.00 C ATOM 1935 OE1 GLU A 118 16.390 9.148 5.333 1.00 0.00 O ATOM 1936 OE2 GLU A 118 18.072 10.686 5.602 1.00 0.00 O ATOM 0 H GLU A 118 18.221 5.114 4.673 1.00 0.00 H new ATOM 0 HA GLU A 118 20.647 6.581 5.497 1.00 0.00 H new ATOM 0 HB2 GLU A 118 17.672 6.767 6.078 1.00 0.00 H new ATOM 0 HB3 GLU A 118 18.825 7.580 7.118 1.00 0.00 H new ATOM 0 HG2 GLU A 118 19.662 8.912 5.220 1.00 0.00 H new ATOM 0 HG3 GLU A 118 18.627 8.037 4.109 1.00 0.00 H new ATOM 1944 N MET A 119 21.177 5.349 7.683 1.00 0.00 N ATOM 1945 CA MET A 119 21.506 4.637 8.954 1.00 0.00 C ATOM 1946 C MET A 119 21.890 5.660 10.062 1.00 0.00 C ATOM 1947 O MET A 119 22.766 6.506 9.865 1.00 0.00 O ATOM 1948 CB MET A 119 22.652 3.614 8.766 1.00 0.00 C ATOM 1949 CG MET A 119 22.421 2.490 7.743 1.00 0.00 C ATOM 1950 SD MET A 119 23.768 1.295 7.808 1.00 0.00 S ATOM 1951 CE MET A 119 25.058 2.222 6.961 1.00 0.00 C ATOM 0 H MET A 119 21.946 5.909 7.314 1.00 0.00 H new ATOM 0 HA MET A 119 20.615 4.087 9.257 1.00 0.00 H new ATOM 0 HB2 MET A 119 23.549 4.160 8.473 1.00 0.00 H new ATOM 0 HB3 MET A 119 22.859 3.155 9.733 1.00 0.00 H new ATOM 0 HG2 MET A 119 21.474 1.991 7.949 1.00 0.00 H new ATOM 0 HG3 MET A 119 22.348 2.911 6.740 1.00 0.00 H new ATOM 0 HE1 MET A 119 25.889 1.557 6.725 1.00 0.00 H new ATOM 0 HE2 MET A 119 24.657 2.644 6.039 1.00 0.00 H new ATOM 0 HE3 MET A 119 25.410 3.028 7.605 1.00 0.00 H new ATOM 1961 N ARG A 120 21.243 5.567 11.232 1.00 0.00 N ATOM 1962 CA ARG A 120 21.418 6.540 12.346 1.00 0.00 C ATOM 1963 C ARG A 120 22.068 5.864 13.593 1.00 0.00 C ATOM 1964 O ARG A 120 21.718 4.734 13.955 1.00 0.00 O ATOM 1965 CB ARG A 120 20.027 7.120 12.721 1.00 0.00 C ATOM 1966 CG ARG A 120 19.319 7.964 11.630 1.00 0.00 C ATOM 1967 CD ARG A 120 17.912 8.462 12.024 1.00 0.00 C ATOM 1968 NE ARG A 120 16.918 7.357 12.153 1.00 0.00 N ATOM 1969 CZ ARG A 120 16.214 6.827 11.155 1.00 0.00 C ATOM 1970 NH1 ARG A 120 16.334 7.177 9.892 1.00 0.00 N ATOM 1971 NH2 ARG A 120 15.345 5.901 11.454 1.00 0.00 N ATOM 0 H ARG A 120 20.582 4.820 11.444 1.00 0.00 H new ATOM 0 HA ARG A 120 22.085 7.337 12.019 1.00 0.00 H new ATOM 0 HB2 ARG A 120 19.372 6.292 12.991 1.00 0.00 H new ATOM 0 HB3 ARG A 120 20.143 7.739 13.611 1.00 0.00 H new ATOM 0 HG2 ARG A 120 19.943 8.826 11.392 1.00 0.00 H new ATOM 0 HG3 ARG A 120 19.239 7.368 10.721 1.00 0.00 H new ATOM 0 HD2 ARG A 120 17.975 8.999 12.970 1.00 0.00 H new ATOM 0 HD3 ARG A 120 17.562 9.173 11.276 1.00 0.00 H new ATOM 0 HE ARG A 120 16.765 6.975 13.086 1.00 0.00 H new ATOM 0 HH11 ARG A 120 17.002 7.900 9.624 1.00 0.00 H new ATOM 0 HH12 ARG A 120 15.759 6.725 9.181 1.00 0.00 H new ATOM 0 HH21 ARG A 120 15.225 5.608 12.424 1.00 0.00 H new ATOM 0 HH22 ARG A 120 14.786 5.470 10.718 1.00 0.00 H new ATOM 1985 N ALA A 121 22.971 6.580 14.287 1.00 0.00 N ATOM 1986 CA ALA A 121 23.404 6.214 15.665 1.00 0.00 C ATOM 1987 C ALA A 121 23.806 7.477 16.474 1.00 0.00 C ATOM 1988 O ALA A 121 24.549 8.334 15.987 1.00 0.00 O ATOM 1989 CB ALA A 121 24.550 5.198 15.631 1.00 0.00 C ATOM 0 H ALA A 121 23.421 7.419 13.922 1.00 0.00 H new ATOM 0 HA ALA A 121 22.558 5.746 16.168 1.00 0.00 H new ATOM 0 HB1 ALA A 121 24.846 4.949 16.650 1.00 0.00 H new ATOM 0 HB2 ALA A 121 24.220 4.295 15.118 1.00 0.00 H new ATOM 0 HB3 ALA A 121 25.401 5.626 15.101 1.00 0.00 H new ATOM 1995 N GLU A 122 23.283 7.617 17.710 1.00 0.00 N ATOM 1996 CA GLU A 122 23.460 8.860 18.544 1.00 0.00 C ATOM 1997 C GLU A 122 23.017 10.220 17.871 1.00 0.00 C ATOM 1998 O GLU A 122 23.641 11.265 18.074 1.00 0.00 O ATOM 1999 CB GLU A 122 24.891 8.927 19.166 1.00 0.00 C ATOM 2000 CG GLU A 122 25.389 7.642 19.875 1.00 0.00 C ATOM 2001 CD GLU A 122 26.507 7.858 20.897 1.00 0.00 C ATOM 2002 OE1 GLU A 122 26.339 8.487 21.938 1.00 0.00 O ATOM 2003 OE2 GLU A 122 27.683 7.256 20.543 1.00 0.00 O ATOM 0 H GLU A 122 22.731 6.892 18.168 1.00 0.00 H new ATOM 0 HA GLU A 122 22.738 8.751 19.353 1.00 0.00 H new ATOM 0 HB2 GLU A 122 25.597 9.177 18.375 1.00 0.00 H new ATOM 0 HB3 GLU A 122 24.914 9.746 19.885 1.00 0.00 H new ATOM 0 HG2 GLU A 122 24.544 7.172 20.378 1.00 0.00 H new ATOM 0 HG3 GLU A 122 25.740 6.941 19.118 1.00 0.00 H new ATOM 2011 N GLY A 123 21.956 10.196 17.040 1.00 0.00 N ATOM 2012 CA GLY A 123 21.643 11.319 16.107 1.00 0.00 C ATOM 2013 C GLY A 123 22.468 11.503 14.799 1.00 0.00 C ATOM 2014 O GLY A 123 22.162 12.429 14.047 1.00 0.00 O ATOM 0 H GLY A 123 21.298 9.418 16.989 1.00 0.00 H new ATOM 0 HA2 GLY A 123 20.597 11.217 15.818 1.00 0.00 H new ATOM 0 HA3 GLY A 123 21.728 12.245 16.676 1.00 0.00 H new ATOM 2018 N VAL A 124 23.484 10.670 14.511 1.00 0.00 N ATOM 2019 CA VAL A 124 24.409 10.863 13.353 1.00 0.00 C ATOM 2020 C VAL A 124 23.955 9.954 12.166 1.00 0.00 C ATOM 2021 O VAL A 124 23.954 8.724 12.278 1.00 0.00 O ATOM 2022 CB VAL A 124 25.887 10.569 13.774 1.00 0.00 C ATOM 2023 CG1 VAL A 124 26.885 10.683 12.601 1.00 0.00 C ATOM 2024 CG2 VAL A 124 26.414 11.477 14.912 1.00 0.00 C ATOM 0 H VAL A 124 23.696 9.842 15.067 1.00 0.00 H new ATOM 0 HA VAL A 124 24.368 11.902 13.025 1.00 0.00 H new ATOM 0 HB VAL A 124 25.836 9.540 14.130 1.00 0.00 H new ATOM 0 HG11 VAL A 124 27.892 10.468 12.958 1.00 0.00 H new ATOM 0 HG12 VAL A 124 26.615 9.969 11.823 1.00 0.00 H new ATOM 0 HG13 VAL A 124 26.853 11.693 12.193 1.00 0.00 H new ATOM 0 HG21 VAL A 124 27.445 11.209 15.144 1.00 0.00 H new ATOM 0 HG22 VAL A 124 26.373 12.519 14.595 1.00 0.00 H new ATOM 0 HG23 VAL A 124 25.796 11.343 15.800 1.00 0.00 H new ATOM 2034 N THR A 125 23.633 10.577 11.022 1.00 0.00 N ATOM 2035 CA THR A 125 23.027 9.877 9.852 1.00 0.00 C ATOM 2036 C THR A 125 24.088 9.621 8.728 1.00 0.00 C ATOM 2037 O THR A 125 24.649 10.561 8.152 1.00 0.00 O ATOM 2038 CB THR A 125 21.799 10.686 9.324 1.00 0.00 C ATOM 2039 OG1 THR A 125 20.877 10.962 10.374 1.00 0.00 O ATOM 2040 CG2 THR A 125 20.972 9.955 8.251 1.00 0.00 C ATOM 0 H THR A 125 23.780 11.575 10.871 1.00 0.00 H new ATOM 0 HA THR A 125 22.673 8.898 10.174 1.00 0.00 H new ATOM 0 HB THR A 125 22.247 11.584 8.899 1.00 0.00 H new ATOM 0 HG1 THR A 125 20.119 11.471 10.018 1.00 0.00 H new ATOM 0 HG21 THR A 125 20.140 10.587 7.940 1.00 0.00 H new ATOM 0 HG22 THR A 125 21.604 9.738 7.390 1.00 0.00 H new ATOM 0 HG23 THR A 125 20.586 9.022 8.662 1.00 0.00 H new ATOM 2048 N CYS A 126 24.298 8.345 8.371 1.00 0.00 N ATOM 2049 CA CYS A 126 24.953 7.949 7.095 1.00 0.00 C ATOM 2050 C CYS A 126 23.915 7.707 5.954 1.00 0.00 C ATOM 2051 O CYS A 126 22.881 7.075 6.183 1.00 0.00 O ATOM 2052 CB CYS A 126 25.745 6.658 7.384 1.00 0.00 C ATOM 2053 SG CYS A 126 26.447 5.944 5.855 1.00 0.00 S ATOM 0 H CYS A 126 24.022 7.553 8.951 1.00 0.00 H new ATOM 0 HA CYS A 126 25.606 8.750 6.748 1.00 0.00 H new ATOM 0 HB2 CYS A 126 26.549 6.873 8.088 1.00 0.00 H new ATOM 0 HB3 CYS A 126 25.091 5.928 7.860 1.00 0.00 H new ATOM 0 HG CYS A 126 26.787 6.902 5.045 1.00 0.00 H new ATOM 2059 N LYS A 127 24.222 8.132 4.714 1.00 0.00 N ATOM 2060 CA LYS A 127 23.478 7.675 3.502 1.00 0.00 C ATOM 2061 C LYS A 127 24.320 6.630 2.703 1.00 0.00 C ATOM 2062 O LYS A 127 25.370 6.948 2.135 1.00 0.00 O ATOM 2063 CB LYS A 127 23.054 8.864 2.597 1.00 0.00 C ATOM 2064 CG LYS A 127 21.873 9.702 3.140 1.00 0.00 C ATOM 2065 CD LYS A 127 21.131 10.540 2.077 1.00 0.00 C ATOM 2066 CE LYS A 127 20.190 9.700 1.190 1.00 0.00 C ATOM 2067 NZ LYS A 127 19.468 10.561 0.235 1.00 0.00 N ATOM 0 H LYS A 127 24.976 8.789 4.515 1.00 0.00 H new ATOM 0 HA LYS A 127 22.561 7.192 3.841 1.00 0.00 H new ATOM 0 HB2 LYS A 127 23.913 9.520 2.457 1.00 0.00 H new ATOM 0 HB3 LYS A 127 22.785 8.477 1.614 1.00 0.00 H new ATOM 0 HG2 LYS A 127 21.159 9.031 3.617 1.00 0.00 H new ATOM 0 HG3 LYS A 127 22.247 10.372 3.914 1.00 0.00 H new ATOM 0 HD2 LYS A 127 20.552 11.317 2.576 1.00 0.00 H new ATOM 0 HD3 LYS A 127 21.863 11.043 1.445 1.00 0.00 H new ATOM 0 HE2 LYS A 127 20.766 8.950 0.648 1.00 0.00 H new ATOM 0 HE3 LYS A 127 19.476 9.163 1.815 1.00 0.00 H new ATOM 0 HZ1 LYS A 127 18.840 9.977 -0.353 1.00 0.00 H new ATOM 0 HZ2 LYS A 127 18.902 11.260 0.757 1.00 0.00 H new ATOM 0 HZ3 LYS A 127 20.152 11.054 -0.374 1.00 0.00 H new ATOM 2080 N GLN A 128 23.824 5.386 2.633 1.00 0.00 N ATOM 2081 CA GLN A 128 24.353 4.346 1.711 1.00 0.00 C ATOM 2082 C GLN A 128 23.384 4.150 0.503 1.00 0.00 C ATOM 2083 O GLN A 128 22.198 3.858 0.684 1.00 0.00 O ATOM 2084 CB GLN A 128 24.584 3.032 2.505 1.00 0.00 C ATOM 2085 CG GLN A 128 26.002 2.927 3.137 1.00 0.00 C ATOM 2086 CD GLN A 128 26.462 1.622 3.806 1.00 0.00 C ATOM 2087 OE1 GLN A 128 27.615 1.502 4.200 1.00 0.00 O ATOM 2088 NE2 GLN A 128 25.650 0.602 3.966 1.00 0.00 N ATOM 0 H GLN A 128 23.046 5.064 3.209 1.00 0.00 H new ATOM 0 HA GLN A 128 25.311 4.661 1.297 1.00 0.00 H new ATOM 0 HB2 GLN A 128 23.837 2.959 3.295 1.00 0.00 H new ATOM 0 HB3 GLN A 128 24.428 2.183 1.839 1.00 0.00 H new ATOM 0 HG2 GLN A 128 26.722 3.158 2.352 1.00 0.00 H new ATOM 0 HG3 GLN A 128 26.081 3.717 3.884 1.00 0.00 H new ATOM 0 HE21 GLN A 128 24.682 0.666 3.650 1.00 0.00 H new ATOM 0 HE22 GLN A 128 25.987 -0.254 4.406 1.00 0.00 H new ATOM 2097 N VAL A 129 23.894 4.296 -0.732 1.00 0.00 N ATOM 2098 CA VAL A 129 23.073 4.134 -1.974 1.00 0.00 C ATOM 2099 C VAL A 129 23.522 2.823 -2.699 1.00 0.00 C ATOM 2100 O VAL A 129 24.716 2.576 -2.900 1.00 0.00 O ATOM 2101 CB VAL A 129 23.142 5.406 -2.889 1.00 0.00 C ATOM 2102 CG1 VAL A 129 22.303 5.268 -4.181 1.00 0.00 C ATOM 2103 CG2 VAL A 129 22.639 6.692 -2.190 1.00 0.00 C ATOM 0 H VAL A 129 24.871 4.526 -0.911 1.00 0.00 H new ATOM 0 HA VAL A 129 22.019 4.037 -1.713 1.00 0.00 H new ATOM 0 HB VAL A 129 24.204 5.487 -3.122 1.00 0.00 H new ATOM 0 HG11 VAL A 129 22.392 6.180 -4.771 1.00 0.00 H new ATOM 0 HG12 VAL A 129 22.668 4.422 -4.763 1.00 0.00 H new ATOM 0 HG13 VAL A 129 21.257 5.105 -3.920 1.00 0.00 H new ATOM 0 HG21 VAL A 129 22.714 7.534 -2.879 1.00 0.00 H new ATOM 0 HG22 VAL A 129 21.599 6.560 -1.890 1.00 0.00 H new ATOM 0 HG23 VAL A 129 23.249 6.889 -1.308 1.00 0.00 H new ATOM 2113 N PHE A 130 22.542 2.004 -3.105 1.00 0.00 N ATOM 2114 CA PHE A 130 22.772 0.689 -3.758 1.00 0.00 C ATOM 2115 C PHE A 130 21.985 0.592 -5.103 1.00 0.00 C ATOM 2116 O PHE A 130 20.795 0.903 -5.151 1.00 0.00 O ATOM 2117 CB PHE A 130 22.295 -0.427 -2.790 1.00 0.00 C ATOM 2118 CG PHE A 130 23.279 -0.876 -1.704 1.00 0.00 C ATOM 2119 CD1 PHE A 130 23.437 -0.142 -0.525 1.00 0.00 C ATOM 2120 CD2 PHE A 130 23.976 -2.077 -1.864 1.00 0.00 C ATOM 2121 CE1 PHE A 130 24.279 -0.610 0.481 1.00 0.00 C ATOM 2122 CE2 PHE A 130 24.818 -2.541 -0.860 1.00 0.00 C ATOM 2123 CZ PHE A 130 24.964 -1.811 0.315 1.00 0.00 C ATOM 0 H PHE A 130 21.554 2.230 -2.992 1.00 0.00 H new ATOM 0 HA PHE A 130 23.833 0.575 -3.979 1.00 0.00 H new ATOM 0 HB2 PHE A 130 21.384 -0.083 -2.300 1.00 0.00 H new ATOM 0 HB3 PHE A 130 22.027 -1.300 -3.386 1.00 0.00 H new ATOM 0 HD1 PHE A 130 22.906 0.789 -0.394 1.00 0.00 H new ATOM 0 HD2 PHE A 130 23.860 -2.648 -2.773 1.00 0.00 H new ATOM 0 HE1 PHE A 130 24.401 -0.041 1.391 1.00 0.00 H new ATOM 0 HE2 PHE A 130 25.358 -3.467 -0.992 1.00 0.00 H new ATOM 0 HZ PHE A 130 25.610 -2.176 1.100 1.00 0.00 H new ATOM 2133 N LYS A 131 22.611 0.101 -6.182 1.00 0.00 N ATOM 2134 CA LYS A 131 21.947 -0.041 -7.513 1.00 0.00 C ATOM 2135 C LYS A 131 21.550 -1.518 -7.828 1.00 0.00 C ATOM 2136 O LYS A 131 22.345 -2.441 -7.618 1.00 0.00 O ATOM 2137 CB LYS A 131 22.896 0.540 -8.593 1.00 0.00 C ATOM 2138 CG LYS A 131 22.174 0.926 -9.904 1.00 0.00 C ATOM 2139 CD LYS A 131 23.114 1.513 -10.972 1.00 0.00 C ATOM 2140 CE LYS A 131 22.332 2.023 -12.193 1.00 0.00 C ATOM 2141 NZ LYS A 131 23.271 2.479 -13.236 1.00 0.00 N ATOM 0 H LYS A 131 23.582 -0.210 -6.172 1.00 0.00 H new ATOM 0 HA LYS A 131 21.010 0.515 -7.504 1.00 0.00 H new ATOM 0 HB2 LYS A 131 23.396 1.421 -8.190 1.00 0.00 H new ATOM 0 HB3 LYS A 131 23.671 -0.193 -8.817 1.00 0.00 H new ATOM 0 HG2 LYS A 131 21.680 0.044 -10.311 1.00 0.00 H new ATOM 0 HG3 LYS A 131 21.393 1.653 -9.679 1.00 0.00 H new ATOM 0 HD2 LYS A 131 23.691 2.331 -10.540 1.00 0.00 H new ATOM 0 HD3 LYS A 131 23.828 0.752 -11.288 1.00 0.00 H new ATOM 0 HE2 LYS A 131 21.696 1.230 -12.586 1.00 0.00 H new ATOM 0 HE3 LYS A 131 21.675 2.842 -11.899 1.00 0.00 H new ATOM 0 HZ1 LYS A 131 22.736 2.823 -14.059 1.00 0.00 H new ATOM 0 HZ2 LYS A 131 23.860 3.249 -12.860 1.00 0.00 H new ATOM 0 HZ3 LYS A 131 23.880 1.687 -13.525 1.00 0.00 H new ATOM 2154 N LYS A 132 20.341 -1.737 -8.381 1.00 0.00 N ATOM 2155 CA LYS A 132 19.874 -3.100 -8.772 1.00 0.00 C ATOM 2156 C LYS A 132 20.616 -3.666 -10.026 1.00 0.00 C ATOM 2157 O LYS A 132 20.634 -3.034 -11.088 1.00 0.00 O ATOM 2158 CB LYS A 132 18.339 -3.079 -9.014 1.00 0.00 C ATOM 2159 CG LYS A 132 17.666 -4.460 -8.823 1.00 0.00 C ATOM 2160 CD LYS A 132 16.134 -4.397 -8.963 1.00 0.00 C ATOM 2161 CE LYS A 132 15.468 -5.740 -8.625 1.00 0.00 C ATOM 2162 NZ LYS A 132 14.002 -5.626 -8.741 1.00 0.00 N ATOM 0 H LYS A 132 19.666 -0.996 -8.570 1.00 0.00 H new ATOM 0 HA LYS A 132 20.112 -3.770 -7.946 1.00 0.00 H new ATOM 0 HB2 LYS A 132 17.881 -2.363 -8.332 1.00 0.00 H new ATOM 0 HB3 LYS A 132 18.143 -2.725 -10.026 1.00 0.00 H new ATOM 0 HG2 LYS A 132 18.066 -5.159 -9.557 1.00 0.00 H new ATOM 0 HG3 LYS A 132 17.921 -4.851 -7.838 1.00 0.00 H new ATOM 0 HD2 LYS A 132 15.742 -3.622 -8.304 1.00 0.00 H new ATOM 0 HD3 LYS A 132 15.875 -4.110 -9.982 1.00 0.00 H new ATOM 0 HE2 LYS A 132 15.834 -6.515 -9.298 1.00 0.00 H new ATOM 0 HE3 LYS A 132 15.737 -6.043 -7.613 1.00 0.00 H new ATOM 0 HZ1 LYS A 132 13.553 -6.078 -7.919 1.00 0.00 H new ATOM 0 HZ2 LYS A 132 13.733 -4.622 -8.774 1.00 0.00 H new ATOM 0 HZ3 LYS A 132 13.685 -6.098 -9.612 1.00 0.00 H new ATOM 2175 N VAL A 133 21.196 -4.868 -9.893 1.00 0.00 N ATOM 2176 CA VAL A 133 21.906 -5.566 -11.017 1.00 0.00 C ATOM 2177 C VAL A 133 21.241 -6.915 -11.452 1.00 0.00 C ATOM 2178 O VAL A 133 21.195 -7.186 -12.655 1.00 0.00 O ATOM 2179 CB VAL A 133 23.452 -5.683 -10.783 1.00 0.00 C ATOM 2180 CG1 VAL A 133 24.150 -4.306 -10.746 1.00 0.00 C ATOM 2181 CG2 VAL A 133 23.886 -6.480 -9.536 1.00 0.00 C ATOM 0 H VAL A 133 21.196 -5.394 -9.019 1.00 0.00 H new ATOM 0 HA VAL A 133 21.783 -4.910 -11.879 1.00 0.00 H new ATOM 0 HB VAL A 133 23.774 -6.255 -11.653 1.00 0.00 H new ATOM 0 HG11 VAL A 133 25.219 -4.444 -10.581 1.00 0.00 H new ATOM 0 HG12 VAL A 133 23.992 -3.793 -11.694 1.00 0.00 H new ATOM 0 HG13 VAL A 133 23.732 -3.708 -9.936 1.00 0.00 H new ATOM 0 HG21 VAL A 133 24.974 -6.496 -9.475 1.00 0.00 H new ATOM 0 HG22 VAL A 133 23.479 -6.007 -8.642 1.00 0.00 H new ATOM 0 HG23 VAL A 133 23.512 -7.501 -9.609 1.00 0.00 H new ATOM 2191 N HIS A 134 20.745 -7.764 -10.526 1.00 0.00 N ATOM 2192 CA HIS A 134 20.013 -9.006 -10.890 1.00 0.00 C ATOM 2193 C HIS A 134 18.835 -9.191 -9.901 1.00 0.00 C ATOM 2194 O HIS A 134 17.856 -8.415 -9.987 1.00 0.00 O ATOM 2195 CB HIS A 134 21.029 -10.182 -10.977 1.00 0.00 C ATOM 2196 CG HIS A 134 20.479 -11.449 -11.627 1.00 0.00 C ATOM 2197 ND1 HIS A 134 20.374 -11.626 -12.991 1.00 0.00 N ATOM 2198 CD2 HIS A 134 20.019 -12.596 -10.959 1.00 0.00 C ATOM 2199 CE1 HIS A 134 19.849 -12.891 -13.029 1.00 0.00 C ATOM 2200 NE2 HIS A 134 19.593 -13.563 -11.861 1.00 0.00 N ATOM 2201 OXT HIS A 134 18.872 -10.102 -9.043 1.00 0.00 O ATOM 0 H HIS A 134 20.836 -7.616 -9.521 1.00 0.00 H new ATOM 0 HA HIS A 134 19.554 -8.959 -11.877 1.00 0.00 H new ATOM 0 HB2 HIS A 134 21.902 -9.850 -11.539 1.00 0.00 H new ATOM 0 HB3 HIS A 134 21.371 -10.425 -9.971 1.00 0.00 H new ATOM 0 HD2 HIS A 134 19.999 -12.711 -9.885 1.00 0.00 H new ATOM 0 HE1 HIS A 134 19.637 -13.359 -13.979 1.00 0.00 H new ATOM 0 HE2 HIS A 134 19.206 -14.493 -11.702 1.00 0.00 H new