USER MOD reduce.3.24.130724 H: found=0, std=0, add=594, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 596 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: B 115 GLN : amide:sc= 0.501 K(o=1.1,f=-15!) USER MOD Set 1.2: B 118 LYS NZ :NH3+ -113:sc= 0.605 (180deg=0) USER MOD Set 2.1: A 11 SER OG : rot -90:sc= 1.07 USER MOD Set 2.2: B 102 LYS NZ :NH3+ -160:sc= 0.0561! (180deg=0) USER MOD Single : A 2 LYS NZ :NH3+ -150:sc= 1.9! (180deg=0.247!) USER MOD Single : A 3 GLN : amide:sc= 0 K(o=0,f=-1.7) USER MOD Single : A 6 THR OG1 : rot -140:sc= -1.33 USER MOD Single : A 8 THR OG1 : rot 180:sc= 0.0796 USER MOD Single : A 13 SER OG : rot 16:sc= 1.11 USER MOD Single : A 14 TYR OH : rot 166:sc= -0.0308 USER MOD Single : A 15 GLN : amide:sc=-0.00333 K(o=-0.0033,f=-1.2) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 TYR OH : rot 108:sc= 0.754 USER MOD Single : A 23 ASN : amide:sc= 0.637 K(o=0.64,f=-3.9!) USER MOD Single : A 25 SER OG : rot 180:sc= -0.58! USER MOD Single : A 29 SER OG : rot 99:sc= -0.539 USER MOD Single : A 30 THR OG1 : rot 89:sc= 0.0198 USER MOD Single : A 31 THR OG1 : rot -100:sc= -1.2 USER MOD Single : A 32 MET CE :methyl -152:sc= -16.6! (180deg=-20.3!) USER MOD Single : A 33 GLN : amide:sc= 0 X(o=0,f=-0.25) USER MOD Single : A 34 ASN : amide:sc= -0.292 K(o=-0.29,f=-1.7!) USER MOD Single : B 103 GLN : amide:sc= -0.544 K(o=-0.54,f=-1.3!) USER MOD Single : B 106 THR OG1 : rot -124:sc= -2.44! USER MOD Single : B 108 THR OG1 : rot 36:sc= 0.777 USER MOD Single : B 111 SER OG : rot 180:sc= 0 USER MOD Single : B 113 SER OG : rot -56:sc= 0.127 USER MOD Single : B 114 TYR OH : rot 180:sc= -1.57! USER MOD Single : B 120 TYR OH : rot 165:sc= -0.624 USER MOD Single : B 123 ASN : amide:sc= -0.584 K(o=-0.58,f=-5.6!) USER MOD Single : B 125 SER OG : rot 180:sc= 0.015 USER MOD Single : B 129 SER OG : rot -120:sc= 0.61 USER MOD Single : B 130 THR OG1 : rot 180:sc= 0 USER MOD Single : B 131 THR OG1 : rot 94:sc= 0.712 USER MOD Single : B 132 MET CE :methyl 169:sc= -16! (180deg=-17.1!) USER MOD Single : B 133 GLN : amide:sc= -1.65 K(o=-1.7,f=-7.2!) USER MOD Single : B 134 ASN : amide:sc= -0.0422 X(o=-0.042,f=-0.44) USER MOD ----------------------------------------------------------------- ATOM 20 N LYS A 2 4.317 -10.658 13.167 1.00 0.00 N ATOM 21 CA LYS A 2 4.125 -10.057 11.846 1.00 0.00 C ATOM 22 C LYS A 2 2.895 -10.649 11.149 1.00 0.00 C ATOM 23 O LYS A 2 2.873 -11.826 10.784 1.00 0.00 O ATOM 24 CB LYS A 2 5.382 -10.200 10.974 1.00 0.00 C ATOM 25 CG LYS A 2 6.438 -9.122 11.230 1.00 0.00 C ATOM 26 CD LYS A 2 5.817 -7.730 11.330 1.00 0.00 C ATOM 27 CE LYS A 2 6.781 -6.627 10.905 1.00 0.00 C ATOM 28 NZ LYS A 2 6.153 -5.679 9.931 1.00 0.00 N ATOM 0 HA LYS A 2 3.949 -8.991 11.990 1.00 0.00 H new ATOM 0 HB2 LYS A 2 5.826 -11.180 11.151 1.00 0.00 H new ATOM 0 HB3 LYS A 2 5.090 -10.167 9.924 1.00 0.00 H new ATOM 0 HG2 LYS A 2 6.972 -9.349 12.153 1.00 0.00 H new ATOM 0 HG3 LYS A 2 7.173 -9.135 10.425 1.00 0.00 H new ATOM 0 HD2 LYS A 2 4.925 -7.688 10.705 1.00 0.00 H new ATOM 0 HD3 LYS A 2 5.496 -7.552 12.356 1.00 0.00 H new ATOM 0 HE2 LYS A 2 7.112 -6.076 11.785 1.00 0.00 H new ATOM 0 HE3 LYS A 2 7.668 -7.074 10.456 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 6.885 -5.293 9.301 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 5.440 -6.183 9.366 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 5.697 -4.901 10.449 1.00 0.00 H new ATOM 42 N GLN A 3 1.869 -9.821 10.967 1.00 0.00 N ATOM 43 CA GLN A 3 0.633 -10.250 10.323 1.00 0.00 C ATOM 44 C GLN A 3 0.648 -9.916 8.852 1.00 0.00 C ATOM 45 O GLN A 3 0.790 -8.762 8.467 1.00 0.00 O ATOM 46 CB GLN A 3 -0.590 -9.608 11.000 1.00 0.00 C ATOM 47 CG GLN A 3 -1.860 -9.719 10.169 1.00 0.00 C ATOM 48 CD GLN A 3 -2.490 -11.100 10.203 1.00 0.00 C ATOM 49 OE1 GLN A 3 -1.926 -12.042 10.752 1.00 0.00 O ATOM 50 NE2 GLN A 3 -3.665 -11.227 9.604 1.00 0.00 N ATOM 0 H GLN A 3 1.871 -8.844 11.259 1.00 0.00 H new ATOM 0 HA GLN A 3 0.561 -11.332 10.431 1.00 0.00 H new ATOM 0 HB2 GLN A 3 -0.753 -10.083 11.967 1.00 0.00 H new ATOM 0 HB3 GLN A 3 -0.380 -8.556 11.193 1.00 0.00 H new ATOM 0 HG2 GLN A 3 -2.585 -8.989 10.529 1.00 0.00 H new ATOM 0 HG3 GLN A 3 -1.632 -9.458 9.136 1.00 0.00 H new ATOM 0 HE21 GLN A 3 -4.101 -10.419 9.159 1.00 0.00 H new ATOM 0 HE22 GLN A 3 -4.134 -12.133 9.588 1.00 0.00 H new ATOM 59 N ARG A 4 0.504 -10.937 8.028 1.00 0.00 N ATOM 60 CA ARG A 4 0.530 -10.734 6.598 1.00 0.00 C ATOM 61 C ARG A 4 -0.783 -10.170 6.091 1.00 0.00 C ATOM 62 O ARG A 4 -1.764 -10.891 5.905 1.00 0.00 O ATOM 63 CB ARG A 4 0.843 -12.040 5.875 1.00 0.00 C ATOM 64 CG ARG A 4 1.785 -11.852 4.700 1.00 0.00 C ATOM 65 CD ARG A 4 2.453 -13.160 4.304 1.00 0.00 C ATOM 66 NE ARG A 4 3.862 -13.211 4.716 1.00 0.00 N ATOM 67 CZ ARG A 4 4.295 -13.657 5.895 1.00 0.00 C ATOM 68 NH1 ARG A 4 3.448 -14.109 6.804 1.00 0.00 N ATOM 69 NH2 ARG A 4 5.589 -13.663 6.157 1.00 0.00 N ATOM 0 H ARG A 4 0.369 -11.904 8.323 1.00 0.00 H new ATOM 0 HA ARG A 4 1.317 -10.010 6.388 1.00 0.00 H new ATOM 0 HB2 ARG A 4 1.286 -12.743 6.580 1.00 0.00 H new ATOM 0 HB3 ARG A 4 -0.087 -12.486 5.521 1.00 0.00 H new ATOM 0 HG2 ARG A 4 1.232 -11.453 3.850 1.00 0.00 H new ATOM 0 HG3 ARG A 4 2.547 -11.117 4.958 1.00 0.00 H new ATOM 0 HD2 ARG A 4 1.914 -13.993 4.756 1.00 0.00 H new ATOM 0 HD3 ARG A 4 2.387 -13.287 3.223 1.00 0.00 H new ATOM 0 HE ARG A 4 4.561 -12.881 4.051 1.00 0.00 H new ATOM 0 HH11 ARG A 4 2.447 -14.120 6.608 1.00 0.00 H new ATOM 0 HH12 ARG A 4 3.795 -14.447 7.701 1.00 0.00 H new ATOM 0 HH21 ARG A 4 6.252 -13.327 5.459 1.00 0.00 H new ATOM 0 HH22 ARG A 4 5.925 -14.003 7.058 1.00 0.00 H new ATOM 83 N ILE A 5 -0.757 -8.874 5.817 1.00 0.00 N ATOM 84 CA ILE A 5 -1.900 -8.179 5.262 1.00 0.00 C ATOM 85 C ILE A 5 -1.638 -8.027 3.784 1.00 0.00 C ATOM 86 O ILE A 5 -0.698 -7.342 3.377 1.00 0.00 O ATOM 87 CB ILE A 5 -2.147 -6.803 5.932 1.00 0.00 C ATOM 88 CG1 ILE A 5 -1.426 -5.663 5.203 1.00 0.00 C ATOM 89 CG2 ILE A 5 -1.703 -6.859 7.387 1.00 0.00 C ATOM 90 CD1 ILE A 5 -1.865 -4.285 5.646 1.00 0.00 C ATOM 0 H ILE A 5 0.057 -8.279 5.974 1.00 0.00 H new ATOM 0 HA ILE A 5 -2.808 -8.753 5.448 1.00 0.00 H new ATOM 0 HB ILE A 5 -3.215 -6.593 5.876 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -0.353 -5.762 5.364 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -1.598 -5.763 4.131 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -1.877 -5.891 7.858 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -2.273 -7.626 7.912 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -0.641 -7.100 7.434 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -1.312 -3.530 5.087 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -2.932 -4.166 5.459 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -1.667 -4.165 6.711 1.00 0.00 H new ATOM 102 N THR A 6 -2.405 -8.721 2.976 1.00 0.00 N ATOM 103 CA THR A 6 -2.170 -8.690 1.550 1.00 0.00 C ATOM 104 C THR A 6 -3.353 -8.079 0.790 1.00 0.00 C ATOM 105 O THR A 6 -4.460 -8.612 0.808 1.00 0.00 O ATOM 106 CB THR A 6 -1.794 -10.115 1.056 1.00 0.00 C ATOM 107 OG1 THR A 6 -2.770 -10.661 0.187 1.00 0.00 O ATOM 108 CG2 THR A 6 -1.583 -11.131 2.170 1.00 0.00 C ATOM 0 H THR A 6 -3.186 -9.306 3.274 1.00 0.00 H new ATOM 0 HA THR A 6 -1.327 -8.032 1.339 1.00 0.00 H new ATOM 0 HB THR A 6 -0.850 -9.953 0.536 1.00 0.00 H new ATOM 0 HG1 THR A 6 -2.890 -11.613 0.387 1.00 0.00 H new ATOM 0 HG21 THR A 6 -1.324 -12.097 1.737 1.00 0.00 H new ATOM 0 HG22 THR A 6 -0.774 -10.796 2.819 1.00 0.00 H new ATOM 0 HG23 THR A 6 -2.499 -11.228 2.752 1.00 0.00 H new ATOM 116 N VAL A 7 -3.078 -6.987 0.063 1.00 0.00 N ATOM 117 CA VAL A 7 -4.080 -6.331 -0.783 1.00 0.00 C ATOM 118 C VAL A 7 -3.823 -6.779 -2.210 1.00 0.00 C ATOM 119 O VAL A 7 -2.863 -6.336 -2.837 1.00 0.00 O ATOM 120 CB VAL A 7 -4.061 -4.760 -0.700 1.00 0.00 C ATOM 121 CG1 VAL A 7 -2.652 -4.217 -0.517 1.00 0.00 C ATOM 122 CG2 VAL A 7 -4.716 -4.108 -1.936 1.00 0.00 C ATOM 0 H VAL A 7 -2.162 -6.538 0.046 1.00 0.00 H new ATOM 0 HA VAL A 7 -5.068 -6.623 -0.428 1.00 0.00 H new ATOM 0 HB VAL A 7 -4.649 -4.497 0.180 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -2.685 -3.129 -0.465 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -2.227 -4.612 0.406 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -2.033 -4.521 -1.361 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -4.681 -3.023 -1.837 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -4.176 -4.408 -2.834 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -5.754 -4.432 -2.011 1.00 0.00 H new ATOM 132 N THR A 8 -4.644 -7.689 -2.711 1.00 0.00 N ATOM 133 CA THR A 8 -4.454 -8.199 -4.060 1.00 0.00 C ATOM 134 C THR A 8 -4.737 -7.104 -5.089 1.00 0.00 C ATOM 135 O THR A 8 -5.814 -7.037 -5.680 1.00 0.00 O ATOM 136 CB THR A 8 -5.323 -9.438 -4.287 1.00 0.00 C ATOM 137 OG1 THR A 8 -6.528 -9.355 -3.549 1.00 0.00 O ATOM 138 CG2 THR A 8 -4.634 -10.724 -3.885 1.00 0.00 C ATOM 0 H THR A 8 -5.439 -8.086 -2.211 1.00 0.00 H new ATOM 0 HA THR A 8 -3.414 -8.502 -4.185 1.00 0.00 H new ATOM 0 HB THR A 8 -5.520 -9.459 -5.359 1.00 0.00 H new ATOM 0 HG1 THR A 8 -7.067 -10.157 -3.712 1.00 0.00 H new ATOM 0 HG21 THR A 8 -5.300 -11.567 -4.069 1.00 0.00 H new ATOM 0 HG22 THR A 8 -3.723 -10.847 -4.470 1.00 0.00 H new ATOM 0 HG23 THR A 8 -4.382 -10.686 -2.825 1.00 0.00 H new ATOM 146 N VAL A 9 -3.739 -6.237 -5.273 1.00 0.00 N ATOM 147 CA VAL A 9 -3.821 -5.113 -6.203 1.00 0.00 C ATOM 148 C VAL A 9 -3.677 -5.571 -7.661 1.00 0.00 C ATOM 149 O VAL A 9 -4.178 -6.636 -8.016 1.00 0.00 O ATOM 150 CB VAL A 9 -2.752 -4.046 -5.879 1.00 0.00 C ATOM 151 CG1 VAL A 9 -2.869 -3.579 -4.439 1.00 0.00 C ATOM 152 CG2 VAL A 9 -1.365 -4.587 -6.148 1.00 0.00 C ATOM 0 H VAL A 9 -2.849 -6.297 -4.779 1.00 0.00 H new ATOM 0 HA VAL A 9 -4.810 -4.670 -6.081 1.00 0.00 H new ATOM 0 HB VAL A 9 -2.923 -3.188 -6.529 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -2.105 -2.828 -4.237 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -3.856 -3.146 -4.276 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -2.730 -4.427 -3.769 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -0.624 -3.822 -5.914 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -1.190 -5.464 -5.525 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -1.280 -4.865 -7.199 1.00 0.00 H new ATOM 162 N ASP A 10 -3.047 -4.733 -8.513 1.00 0.00 N ATOM 163 CA ASP A 10 -2.891 -5.005 -9.952 1.00 0.00 C ATOM 164 C ASP A 10 -4.095 -4.422 -10.699 1.00 0.00 C ATOM 165 O ASP A 10 -4.083 -4.260 -11.919 1.00 0.00 O ATOM 166 CB ASP A 10 -2.712 -6.503 -10.245 1.00 0.00 C ATOM 167 CG ASP A 10 -2.792 -6.835 -11.720 1.00 0.00 C ATOM 168 OD1 ASP A 10 -1.881 -6.433 -12.473 1.00 0.00 O ATOM 169 OD2 ASP A 10 -3.771 -7.500 -12.117 1.00 0.00 O ATOM 0 H ASP A 10 -2.633 -3.849 -8.218 1.00 0.00 H new ATOM 0 HA ASP A 10 -1.979 -4.523 -10.304 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -1.747 -6.830 -9.857 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -3.477 -7.065 -9.710 1.00 0.00 H new ATOM 174 N SER A 11 -5.114 -4.053 -9.923 1.00 0.00 N ATOM 175 CA SER A 11 -6.313 -3.431 -10.448 1.00 0.00 C ATOM 176 C SER A 11 -6.461 -2.039 -9.839 1.00 0.00 C ATOM 177 O SER A 11 -6.460 -1.047 -10.561 1.00 0.00 O ATOM 178 CB SER A 11 -7.548 -4.290 -10.150 1.00 0.00 C ATOM 179 OG SER A 11 -7.448 -5.572 -10.765 1.00 0.00 O ATOM 0 H SER A 11 -5.124 -4.181 -8.911 1.00 0.00 H new ATOM 0 HA SER A 11 -6.228 -3.343 -11.531 1.00 0.00 H new ATOM 0 HB2 SER A 11 -7.659 -4.409 -9.072 1.00 0.00 H new ATOM 0 HB3 SER A 11 -8.443 -3.781 -10.509 1.00 0.00 H new ATOM 0 HG SER A 11 -7.840 -5.536 -11.663 1.00 0.00 H new ATOM 185 N ASP A 12 -6.626 -1.982 -8.508 1.00 0.00 N ATOM 186 CA ASP A 12 -6.817 -0.720 -7.799 1.00 0.00 C ATOM 187 C ASP A 12 -5.802 0.383 -8.202 1.00 0.00 C ATOM 188 O ASP A 12 -6.070 1.150 -9.133 1.00 0.00 O ATOM 189 CB ASP A 12 -6.807 -0.984 -6.296 1.00 0.00 C ATOM 190 CG ASP A 12 -5.665 -1.877 -5.841 1.00 0.00 C ATOM 191 OD1 ASP A 12 -4.489 -1.474 -5.985 1.00 0.00 O ATOM 192 OD2 ASP A 12 -5.949 -2.974 -5.331 1.00 0.00 O ATOM 0 H ASP A 12 -6.630 -2.804 -7.904 1.00 0.00 H new ATOM 0 HA ASP A 12 -7.787 -0.319 -8.093 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -6.744 -0.032 -5.769 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -7.753 -1.445 -6.011 1.00 0.00 H new ATOM 197 N SER A 13 -4.661 0.504 -7.500 1.00 0.00 N ATOM 198 CA SER A 13 -3.663 1.546 -7.807 1.00 0.00 C ATOM 199 C SER A 13 -2.407 1.399 -6.922 1.00 0.00 C ATOM 200 O SER A 13 -1.861 2.387 -6.436 1.00 0.00 O ATOM 201 CB SER A 13 -4.277 2.934 -7.592 1.00 0.00 C ATOM 202 OG SER A 13 -5.047 3.338 -8.713 1.00 0.00 O ATOM 0 H SER A 13 -4.407 -0.103 -6.720 1.00 0.00 H new ATOM 0 HA SER A 13 -3.365 1.429 -8.849 1.00 0.00 H new ATOM 0 HB2 SER A 13 -4.906 2.921 -6.702 1.00 0.00 H new ATOM 0 HB3 SER A 13 -3.484 3.660 -7.412 1.00 0.00 H new ATOM 0 HG SER A 13 -5.243 2.558 -9.274 1.00 0.00 H new ATOM 208 N TYR A 14 -1.965 0.154 -6.719 1.00 0.00 N ATOM 209 CA TYR A 14 -0.786 -0.148 -5.886 1.00 0.00 C ATOM 210 C TYR A 14 0.538 0.098 -6.620 1.00 0.00 C ATOM 211 O TYR A 14 1.501 0.587 -6.028 1.00 0.00 O ATOM 212 CB TYR A 14 -0.841 -1.598 -5.437 1.00 0.00 C ATOM 213 CG TYR A 14 0.508 -2.277 -5.393 1.00 0.00 C ATOM 214 CD1 TYR A 14 1.311 -2.187 -4.270 1.00 0.00 C ATOM 215 CD2 TYR A 14 0.968 -3.010 -6.475 1.00 0.00 C ATOM 216 CE1 TYR A 14 2.538 -2.808 -4.224 1.00 0.00 C ATOM 217 CE2 TYR A 14 2.189 -3.638 -6.441 1.00 0.00 C ATOM 218 CZ TYR A 14 2.976 -3.535 -5.314 1.00 0.00 C ATOM 219 OH TYR A 14 4.204 -4.149 -5.287 1.00 0.00 O ATOM 0 H TYR A 14 -2.408 -0.671 -7.123 1.00 0.00 H new ATOM 0 HA TYR A 14 -0.818 0.526 -5.030 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -1.293 -1.644 -4.446 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -1.494 -2.152 -6.111 1.00 0.00 H new ATOM 0 HD1 TYR A 14 0.969 -1.621 -3.416 1.00 0.00 H new ATOM 0 HD2 TYR A 14 0.355 -3.089 -7.361 1.00 0.00 H new ATOM 0 HE1 TYR A 14 3.155 -2.728 -3.341 1.00 0.00 H new ATOM 0 HE2 TYR A 14 2.530 -4.209 -7.292 1.00 0.00 H new ATOM 0 HH TYR A 14 4.262 -4.797 -6.020 1.00 0.00 H new ATOM 229 N GLN A 15 0.589 -0.302 -7.890 1.00 0.00 N ATOM 230 CA GLN A 15 1.813 -0.196 -8.696 1.00 0.00 C ATOM 231 C GLN A 15 2.470 1.189 -8.613 1.00 0.00 C ATOM 232 O GLN A 15 3.676 1.279 -8.423 1.00 0.00 O ATOM 233 CB GLN A 15 1.528 -0.542 -10.165 1.00 0.00 C ATOM 234 CG GLN A 15 0.051 -0.542 -10.538 1.00 0.00 C ATOM 235 CD GLN A 15 -0.177 -0.508 -12.038 1.00 0.00 C ATOM 236 OE1 GLN A 15 0.767 -0.541 -12.826 1.00 0.00 O ATOM 237 NE2 GLN A 15 -1.435 -0.443 -12.443 1.00 0.00 N ATOM 0 H GLN A 15 -0.205 -0.705 -8.388 1.00 0.00 H new ATOM 0 HA GLN A 15 2.516 -0.915 -8.275 1.00 0.00 H new ATOM 0 HB2 GLN A 15 2.051 0.172 -10.801 1.00 0.00 H new ATOM 0 HB3 GLN A 15 1.944 -1.526 -10.381 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -0.424 -1.431 -10.123 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -0.434 0.321 -10.082 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -2.191 -0.417 -11.758 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -1.649 -0.419 -13.440 1.00 0.00 H new ATOM 246 N LEU A 16 1.687 2.255 -8.743 1.00 0.00 N ATOM 247 CA LEU A 16 2.217 3.630 -8.669 1.00 0.00 C ATOM 248 C LEU A 16 3.140 3.835 -7.457 1.00 0.00 C ATOM 249 O LEU A 16 4.109 4.580 -7.508 1.00 0.00 O ATOM 250 CB LEU A 16 1.051 4.609 -8.570 1.00 0.00 C ATOM 251 CG LEU A 16 0.881 5.557 -9.753 1.00 0.00 C ATOM 252 CD1 LEU A 16 -0.581 5.933 -9.918 1.00 0.00 C ATOM 253 CD2 LEU A 16 1.733 6.796 -9.557 1.00 0.00 C ATOM 0 H LEU A 16 0.681 2.203 -8.901 1.00 0.00 H new ATOM 0 HA LEU A 16 2.804 3.806 -9.570 1.00 0.00 H new ATOM 0 HB2 LEU A 16 0.130 4.038 -8.450 1.00 0.00 H new ATOM 0 HB3 LEU A 16 1.176 5.205 -7.666 1.00 0.00 H new ATOM 0 HG LEU A 16 1.211 5.052 -10.661 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -0.689 6.610 -10.765 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -1.170 5.033 -10.095 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -0.934 6.426 -9.012 1.00 0.00 H new ATOM 0 HD21 LEU A 16 1.603 7.465 -10.408 1.00 0.00 H new ATOM 0 HD22 LEU A 16 1.428 7.307 -8.644 1.00 0.00 H new ATOM 0 HD23 LEU A 16 2.781 6.508 -9.478 1.00 0.00 H new ATOM 265 N LEU A 17 2.814 3.151 -6.385 1.00 0.00 N ATOM 266 CA LEU A 17 3.603 3.235 -5.155 1.00 0.00 C ATOM 267 C LEU A 17 4.878 2.408 -5.275 1.00 0.00 C ATOM 268 O LEU A 17 5.993 2.926 -5.208 1.00 0.00 O ATOM 269 CB LEU A 17 2.771 2.738 -3.955 1.00 0.00 C ATOM 270 CG LEU A 17 2.514 3.720 -2.803 1.00 0.00 C ATOM 271 CD1 LEU A 17 3.092 3.188 -1.506 1.00 0.00 C ATOM 272 CD2 LEU A 17 3.076 5.091 -3.085 1.00 0.00 C ATOM 0 H LEU A 17 2.009 2.527 -6.329 1.00 0.00 H new ATOM 0 HA LEU A 17 3.877 4.278 -4.995 1.00 0.00 H new ATOM 0 HB2 LEU A 17 1.804 2.406 -4.333 1.00 0.00 H new ATOM 0 HB3 LEU A 17 3.270 1.861 -3.542 1.00 0.00 H new ATOM 0 HG LEU A 17 1.432 3.816 -2.707 1.00 0.00 H new ATOM 0 HD11 LEU A 17 2.899 3.899 -0.703 1.00 0.00 H new ATOM 0 HD12 LEU A 17 2.626 2.233 -1.265 1.00 0.00 H new ATOM 0 HD13 LEU A 17 4.167 3.049 -1.617 1.00 0.00 H new ATOM 0 HD21 LEU A 17 2.869 5.750 -2.241 1.00 0.00 H new ATOM 0 HD22 LEU A 17 4.153 5.019 -3.233 1.00 0.00 H new ATOM 0 HD23 LEU A 17 2.612 5.496 -3.984 1.00 0.00 H new ATOM 284 N LYS A 18 4.695 1.125 -5.486 1.00 0.00 N ATOM 285 CA LYS A 18 5.804 0.197 -5.635 1.00 0.00 C ATOM 286 C LYS A 18 6.673 0.602 -6.801 1.00 0.00 C ATOM 287 O LYS A 18 7.868 0.308 -6.840 1.00 0.00 O ATOM 288 CB LYS A 18 5.285 -1.225 -5.818 1.00 0.00 C ATOM 289 CG LYS A 18 4.343 -1.362 -6.998 1.00 0.00 C ATOM 290 CD LYS A 18 4.768 -2.508 -7.906 1.00 0.00 C ATOM 291 CE LYS A 18 4.612 -2.151 -9.373 1.00 0.00 C ATOM 292 NZ LYS A 18 5.395 -3.068 -10.252 1.00 0.00 N ATOM 0 H LYS A 18 3.775 0.690 -5.560 1.00 0.00 H new ATOM 0 HA LYS A 18 6.409 0.227 -4.729 1.00 0.00 H new ATOM 0 HB2 LYS A 18 6.130 -1.900 -5.954 1.00 0.00 H new ATOM 0 HB3 LYS A 18 4.770 -1.538 -4.910 1.00 0.00 H new ATOM 0 HG2 LYS A 18 3.328 -1.535 -6.640 1.00 0.00 H new ATOM 0 HG3 LYS A 18 4.327 -0.431 -7.565 1.00 0.00 H new ATOM 0 HD2 LYS A 18 5.807 -2.766 -7.703 1.00 0.00 H new ATOM 0 HD3 LYS A 18 4.170 -3.391 -7.681 1.00 0.00 H new ATOM 0 HE2 LYS A 18 3.558 -2.196 -9.648 1.00 0.00 H new ATOM 0 HE3 LYS A 18 4.940 -1.124 -9.534 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 5.263 -2.792 -11.246 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 6.404 -3.007 -10.007 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 5.064 -4.045 -10.117 1.00 0.00 H new ATOM 306 N ALA A 19 6.059 1.300 -7.738 1.00 0.00 N ATOM 307 CA ALA A 19 6.760 1.778 -8.902 1.00 0.00 C ATOM 308 C ALA A 19 7.914 2.687 -8.487 1.00 0.00 C ATOM 309 O ALA A 19 8.943 2.739 -9.160 1.00 0.00 O ATOM 310 CB ALA A 19 5.806 2.500 -9.842 1.00 0.00 C ATOM 0 H ALA A 19 5.070 1.547 -7.710 1.00 0.00 H new ATOM 0 HA ALA A 19 7.174 0.923 -9.437 1.00 0.00 H new ATOM 0 HB1 ALA A 19 6.354 2.854 -10.715 1.00 0.00 H new ATOM 0 HB2 ALA A 19 5.020 1.815 -10.160 1.00 0.00 H new ATOM 0 HB3 ALA A 19 5.359 3.349 -9.325 1.00 0.00 H new ATOM 316 N TYR A 20 7.742 3.401 -7.364 1.00 0.00 N ATOM 317 CA TYR A 20 8.774 4.293 -6.871 1.00 0.00 C ATOM 318 C TYR A 20 9.681 3.604 -5.843 1.00 0.00 C ATOM 319 O TYR A 20 10.859 3.945 -5.750 1.00 0.00 O ATOM 320 CB TYR A 20 8.156 5.629 -6.418 1.00 0.00 C ATOM 321 CG TYR A 20 7.556 5.751 -5.044 1.00 0.00 C ATOM 322 CD1 TYR A 20 8.253 5.460 -3.885 1.00 0.00 C ATOM 323 CD2 TYR A 20 6.259 6.229 -4.932 1.00 0.00 C ATOM 324 CE1 TYR A 20 7.660 5.641 -2.648 1.00 0.00 C ATOM 325 CE2 TYR A 20 5.666 6.418 -3.723 1.00 0.00 C ATOM 326 CZ TYR A 20 6.365 6.124 -2.571 1.00 0.00 C ATOM 327 OH TYR A 20 5.778 6.310 -1.344 1.00 0.00 O ATOM 0 H TYR A 20 6.899 3.371 -6.791 1.00 0.00 H new ATOM 0 HA TYR A 20 9.453 4.549 -7.684 1.00 0.00 H new ATOM 0 HB2 TYR A 20 8.932 6.390 -6.502 1.00 0.00 H new ATOM 0 HB3 TYR A 20 7.377 5.886 -7.136 1.00 0.00 H new ATOM 0 HD1 TYR A 20 9.266 5.089 -3.946 1.00 0.00 H new ATOM 0 HD2 TYR A 20 5.704 6.458 -5.830 1.00 0.00 H new ATOM 0 HE1 TYR A 20 8.205 5.406 -1.746 1.00 0.00 H new ATOM 0 HE2 TYR A 20 4.656 6.795 -3.665 1.00 0.00 H new ATOM 0 HH TYR A 20 5.707 7.269 -1.157 1.00 0.00 H new ATOM 337 N ASP A 21 9.128 2.602 -5.126 1.00 0.00 N ATOM 338 CA ASP A 21 9.867 1.778 -4.143 1.00 0.00 C ATOM 339 C ASP A 21 9.234 1.878 -2.775 1.00 0.00 C ATOM 340 O ASP A 21 9.846 2.330 -1.808 1.00 0.00 O ATOM 341 CB ASP A 21 11.361 2.125 -4.073 1.00 0.00 C ATOM 342 CG ASP A 21 12.157 1.125 -3.250 1.00 0.00 C ATOM 343 OD1 ASP A 21 11.972 -0.096 -3.447 1.00 0.00 O ATOM 344 OD2 ASP A 21 12.970 1.565 -2.412 1.00 0.00 O ATOM 0 H ASP A 21 8.146 2.339 -5.214 1.00 0.00 H new ATOM 0 HA ASP A 21 9.800 0.747 -4.492 1.00 0.00 H new ATOM 0 HB2 ASP A 21 11.769 2.164 -5.083 1.00 0.00 H new ATOM 0 HB3 ASP A 21 11.479 3.119 -3.643 1.00 0.00 H new ATOM 349 N VAL A 22 7.971 1.506 -2.712 1.00 0.00 N ATOM 350 CA VAL A 22 7.234 1.608 -1.484 1.00 0.00 C ATOM 351 C VAL A 22 6.138 0.544 -1.366 1.00 0.00 C ATOM 352 O VAL A 22 4.954 0.816 -1.560 1.00 0.00 O ATOM 353 CB VAL A 22 6.665 3.028 -1.418 1.00 0.00 C ATOM 354 CG1 VAL A 22 5.745 3.316 -2.596 1.00 0.00 C ATOM 355 CG2 VAL A 22 5.977 3.299 -0.091 1.00 0.00 C ATOM 0 H VAL A 22 7.441 1.132 -3.499 1.00 0.00 H new ATOM 0 HA VAL A 22 7.895 1.422 -0.637 1.00 0.00 H new ATOM 0 HB VAL A 22 7.508 3.716 -1.487 1.00 0.00 H new ATOM 0 HG11 VAL A 22 5.359 4.332 -2.517 1.00 0.00 H new ATOM 0 HG12 VAL A 22 6.302 3.211 -3.527 1.00 0.00 H new ATOM 0 HG13 VAL A 22 4.914 2.611 -2.589 1.00 0.00 H new ATOM 0 HG21 VAL A 22 5.587 4.317 -0.084 1.00 0.00 H new ATOM 0 HG22 VAL A 22 5.156 2.595 0.044 1.00 0.00 H new ATOM 0 HG23 VAL A 22 6.694 3.180 0.721 1.00 0.00 H new ATOM 365 N ASN A 23 6.536 -0.686 -1.046 1.00 0.00 N ATOM 366 CA ASN A 23 5.573 -1.784 -0.908 1.00 0.00 C ATOM 367 C ASN A 23 4.749 -1.664 0.377 1.00 0.00 C ATOM 368 O ASN A 23 4.644 -2.607 1.161 1.00 0.00 O ATOM 369 CB ASN A 23 6.262 -3.140 -0.961 1.00 0.00 C ATOM 370 CG ASN A 23 7.531 -3.125 -1.793 1.00 0.00 C ATOM 371 OD1 ASN A 23 8.477 -2.407 -1.482 1.00 0.00 O ATOM 372 ND2 ASN A 23 7.559 -3.906 -2.860 1.00 0.00 N ATOM 0 H ASN A 23 7.507 -0.949 -0.878 1.00 0.00 H new ATOM 0 HA ASN A 23 4.892 -1.707 -1.755 1.00 0.00 H new ATOM 0 HB2 ASN A 23 6.502 -3.460 0.053 1.00 0.00 H new ATOM 0 HB3 ASN A 23 5.572 -3.877 -1.373 1.00 0.00 H new ATOM 0 HD21 ASN A 23 8.386 -3.925 -3.456 1.00 0.00 H new ATOM 0 HD22 ASN A 23 6.753 -4.489 -3.087 1.00 0.00 H new ATOM 379 N ILE A 24 4.169 -0.485 0.545 1.00 0.00 N ATOM 380 CA ILE A 24 3.307 -0.085 1.645 1.00 0.00 C ATOM 381 C ILE A 24 3.680 -0.527 3.063 1.00 0.00 C ATOM 382 O ILE A 24 2.961 -0.167 3.996 1.00 0.00 O ATOM 383 CB ILE A 24 1.855 -0.432 1.373 1.00 0.00 C ATOM 384 CG1 ILE A 24 1.732 -1.371 0.208 1.00 0.00 C ATOM 385 CG2 ILE A 24 1.041 0.814 1.132 1.00 0.00 C ATOM 386 CD1 ILE A 24 2.061 -2.753 0.633 1.00 0.00 C ATOM 0 H ILE A 24 4.298 0.268 -0.130 1.00 0.00 H new ATOM 0 HA ILE A 24 3.471 0.993 1.659 1.00 0.00 H new ATOM 0 HB ILE A 24 1.463 -0.934 2.258 1.00 0.00 H new ATOM 0 HG12 ILE A 24 0.719 -1.336 -0.192 1.00 0.00 H new ATOM 0 HG13 ILE A 24 2.402 -1.059 -0.593 1.00 0.00 H new ATOM 0 HG21 ILE A 24 0.004 0.539 0.939 1.00 0.00 H new ATOM 0 HG22 ILE A 24 1.089 1.456 2.012 1.00 0.00 H new ATOM 0 HG23 ILE A 24 1.441 1.349 0.270 1.00 0.00 H new ATOM 0 HD11 ILE A 24 1.969 -3.427 -0.219 1.00 0.00 H new ATOM 0 HD12 ILE A 24 3.083 -2.784 1.012 1.00 0.00 H new ATOM 0 HD13 ILE A 24 1.373 -3.065 1.419 1.00 0.00 H new ATOM 398 N SER A 25 4.744 -1.299 3.248 1.00 0.00 N ATOM 399 CA SER A 25 5.113 -1.761 4.582 1.00 0.00 C ATOM 400 C SER A 25 4.868 -0.653 5.619 1.00 0.00 C ATOM 401 O SER A 25 4.013 -0.795 6.506 1.00 0.00 O ATOM 402 CB SER A 25 6.580 -2.193 4.572 1.00 0.00 C ATOM 403 OG SER A 25 7.458 -1.120 4.880 1.00 0.00 O ATOM 0 H SER A 25 5.361 -1.616 2.500 1.00 0.00 H new ATOM 0 HA SER A 25 4.495 -2.614 4.860 1.00 0.00 H new ATOM 0 HB2 SER A 25 6.725 -2.997 5.293 1.00 0.00 H new ATOM 0 HB3 SER A 25 6.832 -2.596 3.591 1.00 0.00 H new ATOM 0 HG SER A 25 8.384 -1.440 4.864 1.00 0.00 H new ATOM 409 N GLY A 26 5.585 0.462 5.476 1.00 0.00 N ATOM 410 CA GLY A 26 5.400 1.590 6.374 1.00 0.00 C ATOM 411 C GLY A 26 4.268 2.500 5.920 1.00 0.00 C ATOM 412 O GLY A 26 3.543 3.048 6.746 1.00 0.00 O ATOM 0 H GLY A 26 6.291 0.603 4.753 1.00 0.00 H new ATOM 0 HA2 GLY A 26 5.190 1.223 7.379 1.00 0.00 H new ATOM 0 HA3 GLY A 26 6.325 2.163 6.431 1.00 0.00 H new ATOM 416 N LEU A 27 4.100 2.633 4.599 1.00 0.00 N ATOM 417 CA LEU A 27 3.040 3.453 4.021 1.00 0.00 C ATOM 418 C LEU A 27 1.682 3.052 4.588 1.00 0.00 C ATOM 419 O LEU A 27 1.008 3.852 5.235 1.00 0.00 O ATOM 420 CB LEU A 27 3.039 3.275 2.498 1.00 0.00 C ATOM 421 CG LEU A 27 2.425 4.406 1.676 1.00 0.00 C ATOM 422 CD1 LEU A 27 1.073 3.973 1.135 1.00 0.00 C ATOM 423 CD2 LEU A 27 2.302 5.674 2.501 1.00 0.00 C ATOM 0 H LEU A 27 4.694 2.176 3.907 1.00 0.00 H new ATOM 0 HA LEU A 27 3.223 4.498 4.271 1.00 0.00 H new ATOM 0 HB2 LEU A 27 4.070 3.137 2.171 1.00 0.00 H new ATOM 0 HB3 LEU A 27 2.504 2.355 2.263 1.00 0.00 H new ATOM 0 HG LEU A 27 3.084 4.626 0.836 1.00 0.00 H new ATOM 0 HD11 LEU A 27 0.639 4.783 0.549 1.00 0.00 H new ATOM 0 HD12 LEU A 27 1.199 3.095 0.502 1.00 0.00 H new ATOM 0 HD13 LEU A 27 0.410 3.730 1.965 1.00 0.00 H new ATOM 0 HD21 LEU A 27 1.862 6.463 1.892 1.00 0.00 H new ATOM 0 HD22 LEU A 27 1.665 5.485 3.365 1.00 0.00 H new ATOM 0 HD23 LEU A 27 3.290 5.985 2.839 1.00 0.00 H new ATOM 435 N VAL A 28 1.307 1.793 4.346 1.00 0.00 N ATOM 436 CA VAL A 28 0.045 1.249 4.838 1.00 0.00 C ATOM 437 C VAL A 28 -0.102 1.511 6.332 1.00 0.00 C ATOM 438 O VAL A 28 -0.950 2.287 6.752 1.00 0.00 O ATOM 439 CB VAL A 28 -0.050 -0.275 4.559 1.00 0.00 C ATOM 440 CG1 VAL A 28 -0.897 -1.001 5.596 1.00 0.00 C ATOM 441 CG2 VAL A 28 -0.612 -0.523 3.177 1.00 0.00 C ATOM 0 H VAL A 28 1.866 1.130 3.809 1.00 0.00 H new ATOM 0 HA VAL A 28 -0.765 1.750 4.307 1.00 0.00 H new ATOM 0 HB VAL A 28 0.963 -0.674 4.621 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -0.933 -2.064 5.357 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -0.457 -0.866 6.584 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -1.908 -0.593 5.590 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -0.673 -1.596 2.996 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -1.608 -0.086 3.106 1.00 0.00 H new ATOM 0 HG23 VAL A 28 0.039 -0.066 2.432 1.00 0.00 H new ATOM 451 N SER A 29 0.736 0.850 7.122 1.00 0.00 N ATOM 452 CA SER A 29 0.723 0.973 8.574 1.00 0.00 C ATOM 453 C SER A 29 0.736 2.429 9.055 1.00 0.00 C ATOM 454 O SER A 29 0.007 2.773 9.986 1.00 0.00 O ATOM 455 CB SER A 29 1.921 0.225 9.139 1.00 0.00 C ATOM 456 OG SER A 29 2.046 -1.053 8.526 1.00 0.00 O ATOM 0 H SER A 29 1.448 0.210 6.770 1.00 0.00 H new ATOM 0 HA SER A 29 -0.210 0.540 8.935 1.00 0.00 H new ATOM 0 HB2 SER A 29 2.829 0.804 8.974 1.00 0.00 H new ATOM 0 HB3 SER A 29 1.809 0.108 10.217 1.00 0.00 H new ATOM 0 HG SER A 29 2.719 -1.010 7.815 1.00 0.00 H new ATOM 462 N THR A 30 1.532 3.291 8.416 1.00 0.00 N ATOM 463 CA THR A 30 1.576 4.696 8.801 1.00 0.00 C ATOM 464 C THR A 30 0.268 5.339 8.406 1.00 0.00 C ATOM 465 O THR A 30 -0.403 5.971 9.226 1.00 0.00 O ATOM 466 CB THR A 30 2.756 5.416 8.141 1.00 0.00 C ATOM 467 OG1 THR A 30 3.954 5.151 8.846 1.00 0.00 O ATOM 468 CG2 THR A 30 2.592 6.920 8.076 1.00 0.00 C ATOM 0 H THR A 30 2.146 3.041 7.640 1.00 0.00 H new ATOM 0 HA THR A 30 1.718 4.773 9.879 1.00 0.00 H new ATOM 0 HB THR A 30 2.793 5.030 7.122 1.00 0.00 H new ATOM 0 HG1 THR A 30 4.372 4.341 8.487 1.00 0.00 H new ATOM 0 HG21 THR A 30 3.466 7.361 7.596 1.00 0.00 H new ATOM 0 HG22 THR A 30 1.700 7.164 7.500 1.00 0.00 H new ATOM 0 HG23 THR A 30 2.492 7.319 9.085 1.00 0.00 H new ATOM 476 N THR A 31 -0.106 5.151 7.142 1.00 0.00 N ATOM 477 CA THR A 31 -1.355 5.692 6.650 1.00 0.00 C ATOM 478 C THR A 31 -2.507 5.187 7.516 1.00 0.00 C ATOM 479 O THR A 31 -3.434 5.932 7.838 1.00 0.00 O ATOM 480 CB THR A 31 -1.573 5.337 5.175 1.00 0.00 C ATOM 481 OG1 THR A 31 -1.033 6.349 4.346 1.00 0.00 O ATOM 482 CG2 THR A 31 -3.028 5.178 4.789 1.00 0.00 C ATOM 0 H THR A 31 0.437 4.632 6.452 1.00 0.00 H new ATOM 0 HA THR A 31 -1.316 6.779 6.714 1.00 0.00 H new ATOM 0 HB THR A 31 -1.074 4.378 5.036 1.00 0.00 H new ATOM 0 HG1 THR A 31 -1.753 6.937 4.036 1.00 0.00 H new ATOM 0 HG21 THR A 31 -3.098 4.927 3.731 1.00 0.00 H new ATOM 0 HG22 THR A 31 -3.477 4.380 5.381 1.00 0.00 H new ATOM 0 HG23 THR A 31 -3.558 6.112 4.977 1.00 0.00 H new ATOM 490 N MET A 32 -2.416 3.918 7.919 1.00 0.00 N ATOM 491 CA MET A 32 -3.416 3.305 8.773 1.00 0.00 C ATOM 492 C MET A 32 -3.520 4.043 10.100 1.00 0.00 C ATOM 493 O MET A 32 -4.593 4.490 10.468 1.00 0.00 O ATOM 494 CB MET A 32 -3.075 1.836 9.023 1.00 0.00 C ATOM 495 CG MET A 32 -3.187 0.966 7.787 1.00 0.00 C ATOM 496 SD MET A 32 -3.919 -0.632 8.143 1.00 0.00 S ATOM 497 CE MET A 32 -4.012 -1.320 6.512 1.00 0.00 C ATOM 0 H MET A 32 -1.650 3.296 7.661 1.00 0.00 H new ATOM 0 HA MET A 32 -4.378 3.366 8.264 1.00 0.00 H new ATOM 0 HB2 MET A 32 -2.059 1.769 9.413 1.00 0.00 H new ATOM 0 HB3 MET A 32 -3.739 1.444 9.794 1.00 0.00 H new ATOM 0 HG2 MET A 32 -3.789 1.480 7.037 1.00 0.00 H new ATOM 0 HG3 MET A 32 -2.196 0.821 7.356 1.00 0.00 H new ATOM 0 HE1 MET A 32 -4.839 -2.028 6.462 1.00 0.00 H new ATOM 0 HE2 MET A 32 -4.175 -0.521 5.789 1.00 0.00 H new ATOM 0 HE3 MET A 32 -3.079 -1.835 6.281 1.00 0.00 H new ATOM 507 N GLN A 33 -2.404 4.171 10.823 1.00 0.00 N ATOM 508 CA GLN A 33 -2.413 4.861 12.118 1.00 0.00 C ATOM 509 C GLN A 33 -3.123 6.211 12.016 1.00 0.00 C ATOM 510 O GLN A 33 -3.892 6.582 12.904 1.00 0.00 O ATOM 511 CB GLN A 33 -0.980 5.050 12.638 1.00 0.00 C ATOM 512 CG GLN A 33 -0.755 6.369 13.378 1.00 0.00 C ATOM 513 CD GLN A 33 0.353 6.297 14.414 1.00 0.00 C ATOM 514 OE1 GLN A 33 1.291 5.517 14.286 1.00 0.00 O ATOM 515 NE2 GLN A 33 0.252 7.121 15.449 1.00 0.00 N ATOM 0 H GLN A 33 -1.493 3.811 10.539 1.00 0.00 H new ATOM 0 HA GLN A 33 -2.963 4.240 12.825 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -0.735 4.224 13.306 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -0.289 4.995 11.797 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -0.515 7.147 12.654 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -1.682 6.665 13.868 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -0.544 7.755 15.520 1.00 0.00 H new ATOM 0 HE22 GLN A 33 0.970 7.120 16.174 1.00 0.00 H new ATOM 524 N ASN A 34 -2.881 6.936 10.925 1.00 0.00 N ATOM 525 CA ASN A 34 -3.522 8.232 10.722 1.00 0.00 C ATOM 526 C ASN A 34 -5.031 8.063 10.604 1.00 0.00 C ATOM 527 O ASN A 34 -5.791 8.638 11.390 1.00 0.00 O ATOM 528 CB ASN A 34 -2.966 8.912 9.466 1.00 0.00 C ATOM 529 CG ASN A 34 -1.997 10.033 9.774 1.00 0.00 C ATOM 530 OD1 ASN A 34 -2.066 10.659 10.829 1.00 0.00 O ATOM 531 ND2 ASN A 34 -1.085 10.294 8.848 1.00 0.00 N ATOM 0 H ASN A 34 -2.251 6.651 10.175 1.00 0.00 H new ATOM 0 HA ASN A 34 -3.307 8.863 11.584 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -2.465 8.166 8.849 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -3.794 9.308 8.878 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -0.405 11.039 8.998 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -1.063 9.749 7.986 1.00 0.00 H new ATOM 538 N GLU A 35 -5.459 7.247 9.646 1.00 0.00 N ATOM 539 CA GLU A 35 -6.878 6.981 9.449 1.00 0.00 C ATOM 540 C GLU A 35 -7.439 6.108 10.581 1.00 0.00 C ATOM 541 O GLU A 35 -8.651 5.969 10.723 1.00 0.00 O ATOM 542 CB GLU A 35 -7.101 6.323 8.083 1.00 0.00 C ATOM 543 CG GLU A 35 -7.200 7.317 6.921 1.00 0.00 C ATOM 544 CD GLU A 35 -6.674 8.707 7.255 1.00 0.00 C ATOM 545 OE1 GLU A 35 -7.461 9.540 7.757 1.00 0.00 O ATOM 546 OE2 GLU A 35 -5.474 8.966 7.011 1.00 0.00 O ATOM 0 H GLU A 35 -4.844 6.759 8.995 1.00 0.00 H new ATOM 0 HA GLU A 35 -7.416 7.929 9.471 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -6.282 5.631 7.887 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -8.016 5.732 8.121 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -6.644 6.923 6.070 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -8.242 7.398 6.612 1.00 0.00 H new ATOM 553 N ALA A 36 -6.556 5.565 11.421 1.00 0.00 N ATOM 554 CA ALA A 36 -6.966 4.765 12.567 1.00 0.00 C ATOM 555 C ALA A 36 -7.221 5.690 13.750 1.00 0.00 C ATOM 556 O ALA A 36 -8.161 5.494 14.520 1.00 0.00 O ATOM 557 CB ALA A 36 -5.893 3.740 12.907 1.00 0.00 C ATOM 0 H ALA A 36 -5.546 5.668 11.324 1.00 0.00 H new ATOM 0 HA ALA A 36 -7.882 4.224 12.329 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -6.213 3.149 13.765 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -5.735 3.082 12.053 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -4.962 4.254 13.147 1.00 0.00 H new ATOM 563 N ARG A 37 -6.382 6.725 13.860 1.00 0.00 N ATOM 564 CA ARG A 37 -6.520 7.721 14.912 1.00 0.00 C ATOM 565 C ARG A 37 -7.683 8.629 14.612 1.00 0.00 C ATOM 566 O ARG A 37 -8.540 8.887 15.459 1.00 0.00 O ATOM 567 CB ARG A 37 -5.289 8.595 14.979 1.00 0.00 C ATOM 568 CG ARG A 37 -4.488 8.419 16.249 1.00 0.00 C ATOM 569 CD ARG A 37 -5.285 8.858 17.465 1.00 0.00 C ATOM 570 NE ARG A 37 -5.882 7.720 18.175 1.00 0.00 N ATOM 571 CZ ARG A 37 -6.711 7.835 19.208 1.00 0.00 C ATOM 572 NH1 ARG A 37 -7.045 9.024 19.670 1.00 0.00 N ATOM 573 NH2 ARG A 37 -7.208 6.755 19.779 1.00 0.00 N ATOM 0 H ARG A 37 -5.599 6.890 13.227 1.00 0.00 H new ATOM 0 HA ARG A 37 -6.667 7.189 15.852 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -4.650 8.374 14.124 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -5.590 9.639 14.891 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -4.199 7.374 16.358 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -3.567 8.999 16.185 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -4.634 9.408 18.145 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -6.073 9.544 17.153 1.00 0.00 H new ATOM 0 HE ARG A 37 -5.646 6.781 17.855 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -6.667 9.865 19.234 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -7.682 9.103 20.463 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -6.956 5.831 19.428 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -7.844 6.844 20.572 1.00 0.00 H new ATOM 587 N ARG A 38 -7.670 9.132 13.388 1.00 0.00 N ATOM 588 CA ARG A 38 -8.693 10.047 12.932 1.00 0.00 C ATOM 589 C ARG A 38 -10.035 9.332 12.688 1.00 0.00 C ATOM 590 O ARG A 38 -11.074 9.986 12.621 1.00 0.00 O ATOM 591 CB ARG A 38 -8.229 10.769 11.665 1.00 0.00 C ATOM 592 CG ARG A 38 -7.190 11.847 11.930 1.00 0.00 C ATOM 593 CD ARG A 38 -7.837 13.199 12.190 1.00 0.00 C ATOM 594 NE ARG A 38 -7.199 13.909 13.307 1.00 0.00 N ATOM 595 CZ ARG A 38 -7.714 14.028 14.528 1.00 0.00 C ATOM 596 NH1 ARG A 38 -8.862 13.453 14.842 1.00 0.00 N ATOM 597 NH2 ARG A 38 -7.065 14.715 15.446 1.00 0.00 N ATOM 0 H ARG A 38 -6.956 8.918 12.692 1.00 0.00 H new ATOM 0 HA ARG A 38 -8.856 10.782 13.721 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -7.814 10.038 10.971 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -9.093 11.220 11.176 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -6.582 11.563 12.789 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -6.518 11.923 11.075 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -7.775 13.810 11.289 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -8.896 13.058 12.407 1.00 0.00 H new ATOM 0 HE ARG A 38 -6.293 14.344 13.133 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -9.367 12.908 14.143 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -9.243 13.554 15.783 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -6.172 15.153 15.219 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -7.456 14.809 16.384 1.00 0.00 H new ATOM 1184 N LYS B 102 -4.343 -11.339 -9.782 1.00 0.00 N ATOM 1185 CA LYS B 102 -4.127 -9.956 -9.368 1.00 0.00 C ATOM 1186 C LYS B 102 -2.736 -9.819 -8.742 1.00 0.00 C ATOM 1187 O LYS B 102 -1.937 -10.760 -8.792 1.00 0.00 O ATOM 1188 CB LYS B 102 -5.217 -9.535 -8.375 1.00 0.00 C ATOM 1189 CG LYS B 102 -6.601 -9.426 -8.999 1.00 0.00 C ATOM 1190 CD LYS B 102 -7.239 -8.077 -8.705 1.00 0.00 C ATOM 1191 CE LYS B 102 -8.692 -8.034 -9.149 1.00 0.00 C ATOM 1192 NZ LYS B 102 -8.846 -7.430 -10.501 1.00 0.00 N ATOM 0 HA LYS B 102 -4.183 -9.300 -10.237 1.00 0.00 H new ATOM 0 HB2 LYS B 102 -5.251 -10.257 -7.559 1.00 0.00 H new ATOM 0 HB3 LYS B 102 -4.948 -8.573 -7.939 1.00 0.00 H new ATOM 0 HG2 LYS B 102 -6.528 -9.568 -10.077 1.00 0.00 H new ATOM 0 HG3 LYS B 102 -7.238 -10.223 -8.615 1.00 0.00 H new ATOM 0 HD2 LYS B 102 -7.179 -7.871 -7.636 1.00 0.00 H new ATOM 0 HD3 LYS B 102 -6.680 -7.291 -9.213 1.00 0.00 H new ATOM 0 HE2 LYS B 102 -9.099 -9.045 -9.156 1.00 0.00 H new ATOM 0 HE3 LYS B 102 -9.274 -7.461 -8.428 1.00 0.00 H new ATOM 0 HZ1 LYS B 102 -9.827 -7.109 -10.628 1.00 0.00 H new ATOM 0 HZ2 LYS B 102 -8.202 -6.619 -10.594 1.00 0.00 H new ATOM 0 HZ3 LYS B 102 -8.617 -8.139 -11.226 1.00 0.00 H new ATOM 1206 N GLN B 103 -2.437 -8.667 -8.147 1.00 0.00 N ATOM 1207 CA GLN B 103 -1.135 -8.470 -7.523 1.00 0.00 C ATOM 1208 C GLN B 103 -1.248 -8.516 -6.013 1.00 0.00 C ATOM 1209 O GLN B 103 -1.638 -7.546 -5.370 1.00 0.00 O ATOM 1210 CB GLN B 103 -0.497 -7.150 -7.982 1.00 0.00 C ATOM 1211 CG GLN B 103 0.749 -6.751 -7.200 1.00 0.00 C ATOM 1212 CD GLN B 103 1.999 -6.712 -8.057 1.00 0.00 C ATOM 1213 OE1 GLN B 103 2.258 -5.737 -8.761 1.00 0.00 O ATOM 1214 NE2 GLN B 103 2.788 -7.772 -7.995 1.00 0.00 N ATOM 0 H GLN B 103 -3.068 -7.868 -8.085 1.00 0.00 H new ATOM 0 HA GLN B 103 -0.485 -9.286 -7.840 1.00 0.00 H new ATOM 0 HB2 GLN B 103 -0.238 -7.233 -9.038 1.00 0.00 H new ATOM 0 HB3 GLN B 103 -1.236 -6.354 -7.896 1.00 0.00 H new ATOM 0 HG2 GLN B 103 0.591 -5.770 -6.752 1.00 0.00 H new ATOM 0 HG3 GLN B 103 0.898 -7.455 -6.381 1.00 0.00 H new ATOM 0 HE21 GLN B 103 2.537 -8.560 -7.398 1.00 0.00 H new ATOM 0 HE22 GLN B 103 3.647 -7.801 -8.544 1.00 0.00 H new ATOM 1223 N ARG B 104 -0.898 -9.649 -5.442 1.00 0.00 N ATOM 1224 CA ARG B 104 -0.966 -9.797 -4.009 1.00 0.00 C ATOM 1225 C ARG B 104 0.227 -9.138 -3.347 1.00 0.00 C ATOM 1226 O ARG B 104 1.307 -9.724 -3.242 1.00 0.00 O ATOM 1227 CB ARG B 104 -1.016 -11.263 -3.616 1.00 0.00 C ATOM 1228 CG ARG B 104 -1.632 -11.497 -2.252 1.00 0.00 C ATOM 1229 CD ARG B 104 -1.226 -12.850 -1.723 1.00 0.00 C ATOM 1230 NE ARG B 104 0.128 -12.813 -1.159 1.00 0.00 N ATOM 1231 CZ ARG B 104 0.487 -13.355 -0.001 1.00 0.00 C ATOM 1232 NH1 ARG B 104 -0.384 -14.008 0.737 1.00 0.00 N ATOM 1233 NH2 ARG B 104 1.729 -13.238 0.417 1.00 0.00 N ATOM 0 H ARG B 104 -0.567 -10.472 -5.945 1.00 0.00 H new ATOM 0 HA ARG B 104 -1.880 -9.309 -3.669 1.00 0.00 H new ATOM 0 HB2 ARG B 104 -1.587 -11.813 -4.364 1.00 0.00 H new ATOM 0 HB3 ARG B 104 -0.004 -11.669 -3.625 1.00 0.00 H new ATOM 0 HG2 ARG B 104 -1.311 -10.717 -1.561 1.00 0.00 H new ATOM 0 HG3 ARG B 104 -2.718 -11.436 -2.320 1.00 0.00 H new ATOM 0 HD2 ARG B 104 -1.933 -13.172 -0.958 1.00 0.00 H new ATOM 0 HD3 ARG B 104 -1.269 -13.586 -2.526 1.00 0.00 H new ATOM 0 HE ARG B 104 0.849 -12.334 -1.698 1.00 0.00 H new ATOM 0 HH11 ARG B 104 -1.349 -14.103 0.422 1.00 0.00 H new ATOM 0 HH12 ARG B 104 -0.094 -14.419 1.624 1.00 0.00 H new ATOM 0 HH21 ARG B 104 2.412 -12.733 -0.148 1.00 0.00 H new ATOM 0 HH22 ARG B 104 2.009 -13.653 1.306 1.00 0.00 H new ATOM 1247 N ILE B 105 -0.001 -7.938 -2.851 1.00 0.00 N ATOM 1248 CA ILE B 105 1.020 -7.208 -2.134 1.00 0.00 C ATOM 1249 C ILE B 105 0.671 -7.295 -0.673 1.00 0.00 C ATOM 1250 O ILE B 105 -0.484 -7.087 -0.286 1.00 0.00 O ATOM 1251 CB ILE B 105 1.119 -5.739 -2.571 1.00 0.00 C ATOM 1252 CG1 ILE B 105 -0.104 -4.962 -2.086 1.00 0.00 C ATOM 1253 CG2 ILE B 105 1.255 -5.666 -4.080 1.00 0.00 C ATOM 1254 CD1 ILE B 105 0.045 -3.463 -2.180 1.00 0.00 C ATOM 0 H ILE B 105 -0.891 -7.447 -2.933 1.00 0.00 H new ATOM 0 HA ILE B 105 1.995 -7.647 -2.346 1.00 0.00 H new ATOM 0 HB ILE B 105 2.002 -5.283 -2.123 1.00 0.00 H new ATOM 0 HG12 ILE B 105 -0.972 -5.268 -2.671 1.00 0.00 H new ATOM 0 HG13 ILE B 105 -0.306 -5.233 -1.050 1.00 0.00 H new ATOM 0 HG21 ILE B 105 1.325 -4.623 -4.389 1.00 0.00 H new ATOM 0 HG22 ILE B 105 2.154 -6.198 -4.390 1.00 0.00 H new ATOM 0 HG23 ILE B 105 0.383 -6.125 -4.547 1.00 0.00 H new ATOM 0 HD11 ILE B 105 -0.864 -2.984 -1.817 1.00 0.00 H new ATOM 0 HD12 ILE B 105 0.891 -3.143 -1.572 1.00 0.00 H new ATOM 0 HD13 ILE B 105 0.216 -3.179 -3.218 1.00 0.00 H new ATOM 1266 N THR B 106 1.624 -7.670 0.136 1.00 0.00 N ATOM 1267 CA THR B 106 1.336 -7.845 1.534 1.00 0.00 C ATOM 1268 C THR B 106 2.344 -7.152 2.435 1.00 0.00 C ATOM 1269 O THR B 106 3.540 -7.447 2.391 1.00 0.00 O ATOM 1270 CB THR B 106 1.215 -9.353 1.841 1.00 0.00 C ATOM 1271 OG1 THR B 106 2.046 -9.754 2.921 1.00 0.00 O ATOM 1272 CG2 THR B 106 1.536 -10.257 0.657 1.00 0.00 C ATOM 0 H THR B 106 2.588 -7.857 -0.140 1.00 0.00 H new ATOM 0 HA THR B 106 0.384 -7.361 1.752 1.00 0.00 H new ATOM 0 HB THR B 106 0.163 -9.475 2.100 1.00 0.00 H new ATOM 0 HG1 THR B 106 2.637 -10.479 2.628 1.00 0.00 H new ATOM 0 HG21 THR B 106 1.428 -11.300 0.955 1.00 0.00 H new ATOM 0 HG22 THR B 106 0.850 -10.041 -0.162 1.00 0.00 H new ATOM 0 HG23 THR B 106 2.560 -10.078 0.330 1.00 0.00 H new ATOM 1280 N VAL B 107 1.823 -6.313 3.327 1.00 0.00 N ATOM 1281 CA VAL B 107 2.632 -5.645 4.343 1.00 0.00 C ATOM 1282 C VAL B 107 2.428 -6.410 5.636 1.00 0.00 C ATOM 1283 O VAL B 107 1.416 -6.231 6.315 1.00 0.00 O ATOM 1284 CB VAL B 107 2.285 -4.126 4.551 1.00 0.00 C ATOM 1285 CG1 VAL B 107 0.869 -3.790 4.099 1.00 0.00 C ATOM 1286 CG2 VAL B 107 2.478 -3.683 6.015 1.00 0.00 C ATOM 0 H VAL B 107 0.831 -6.078 3.366 1.00 0.00 H new ATOM 0 HA VAL B 107 3.671 -5.650 4.012 1.00 0.00 H new ATOM 0 HB VAL B 107 2.986 -3.575 3.925 1.00 0.00 H new ATOM 0 HG11 VAL B 107 0.677 -2.730 4.263 1.00 0.00 H new ATOM 0 HG12 VAL B 107 0.762 -4.019 3.039 1.00 0.00 H new ATOM 0 HG13 VAL B 107 0.154 -4.381 4.672 1.00 0.00 H new ATOM 0 HG21 VAL B 107 2.227 -2.627 6.112 1.00 0.00 H new ATOM 0 HG22 VAL B 107 1.827 -4.271 6.662 1.00 0.00 H new ATOM 0 HG23 VAL B 107 3.517 -3.837 6.308 1.00 0.00 H new ATOM 1296 N THR B 108 3.352 -7.295 5.965 1.00 0.00 N ATOM 1297 CA THR B 108 3.215 -8.083 7.167 1.00 0.00 C ATOM 1298 C THR B 108 3.324 -7.173 8.392 1.00 0.00 C ATOM 1299 O THR B 108 4.420 -6.829 8.829 1.00 0.00 O ATOM 1300 CB THR B 108 4.254 -9.201 7.184 1.00 0.00 C ATOM 1301 OG1 THR B 108 5.574 -8.691 7.217 1.00 0.00 O ATOM 1302 CG2 THR B 108 4.153 -10.117 5.992 1.00 0.00 C ATOM 0 H THR B 108 4.194 -7.482 5.421 1.00 0.00 H new ATOM 0 HA THR B 108 2.233 -8.556 7.191 1.00 0.00 H new ATOM 0 HB THR B 108 4.039 -9.766 8.091 1.00 0.00 H new ATOM 0 HG1 THR B 108 5.598 -7.879 7.766 1.00 0.00 H new ATOM 0 HG21 THR B 108 4.918 -10.891 6.062 1.00 0.00 H new ATOM 0 HG22 THR B 108 3.167 -10.582 5.973 1.00 0.00 H new ATOM 0 HG23 THR B 108 4.301 -9.542 5.078 1.00 0.00 H new ATOM 1310 N VAL B 109 2.167 -6.749 8.911 1.00 0.00 N ATOM 1311 CA VAL B 109 2.117 -5.842 10.057 1.00 0.00 C ATOM 1312 C VAL B 109 2.189 -6.596 11.385 1.00 0.00 C ATOM 1313 O VAL B 109 3.126 -7.346 11.583 1.00 0.00 O ATOM 1314 CB VAL B 109 0.880 -4.929 10.017 1.00 0.00 C ATOM 1315 CG1 VAL B 109 1.089 -3.729 10.925 1.00 0.00 C ATOM 1316 CG2 VAL B 109 0.600 -4.469 8.598 1.00 0.00 C ATOM 0 H VAL B 109 1.252 -7.022 8.553 1.00 0.00 H new ATOM 0 HA VAL B 109 3.000 -5.207 9.985 1.00 0.00 H new ATOM 0 HB VAL B 109 0.019 -5.496 10.371 1.00 0.00 H new ATOM 0 HG11 VAL B 109 0.208 -3.088 10.890 1.00 0.00 H new ATOM 0 HG12 VAL B 109 1.249 -4.070 11.948 1.00 0.00 H new ATOM 0 HG13 VAL B 109 1.960 -3.166 10.590 1.00 0.00 H new ATOM 0 HG21 VAL B 109 -0.279 -3.824 8.591 1.00 0.00 H new ATOM 0 HG22 VAL B 109 1.459 -3.916 8.219 1.00 0.00 H new ATOM 0 HG23 VAL B 109 0.418 -5.336 7.963 1.00 0.00 H new ATOM 1326 N ASP B 110 1.257 -6.347 12.328 1.00 0.00 N ATOM 1327 CA ASP B 110 1.304 -6.972 13.663 1.00 0.00 C ATOM 1328 C ASP B 110 2.266 -6.169 14.557 1.00 0.00 C ATOM 1329 O ASP B 110 2.274 -6.311 15.779 1.00 0.00 O ATOM 1330 CB ASP B 110 1.702 -8.456 13.585 1.00 0.00 C ATOM 1331 CG ASP B 110 1.815 -9.132 14.941 1.00 0.00 C ATOM 1332 OD1 ASP B 110 0.861 -9.033 15.739 1.00 0.00 O ATOM 1333 OD2 ASP B 110 2.860 -9.774 15.192 1.00 0.00 O ATOM 0 H ASP B 110 0.465 -5.719 12.189 1.00 0.00 H new ATOM 0 HA ASP B 110 0.307 -6.950 14.102 1.00 0.00 H new ATOM 0 HB2 ASP B 110 0.965 -8.989 12.984 1.00 0.00 H new ATOM 0 HB3 ASP B 110 2.657 -8.540 13.067 1.00 0.00 H new ATOM 1338 N SER B 111 3.036 -5.283 13.916 1.00 0.00 N ATOM 1339 CA SER B 111 3.966 -4.398 14.596 1.00 0.00 C ATOM 1340 C SER B 111 3.658 -2.955 14.202 1.00 0.00 C ATOM 1341 O SER B 111 3.351 -2.131 15.057 1.00 0.00 O ATOM 1342 CB SER B 111 5.415 -4.755 14.239 1.00 0.00 C ATOM 1343 OG SER B 111 6.330 -3.808 14.772 1.00 0.00 O ATOM 0 H SER B 111 3.025 -5.165 12.903 1.00 0.00 H new ATOM 0 HA SER B 111 3.851 -4.514 15.674 1.00 0.00 H new ATOM 0 HB2 SER B 111 5.652 -5.747 14.623 1.00 0.00 H new ATOM 0 HB3 SER B 111 5.524 -4.798 13.155 1.00 0.00 H new ATOM 0 HG SER B 111 7.244 -4.064 14.529 1.00 0.00 H new ATOM 1349 N ASP B 112 3.780 -2.660 12.898 1.00 0.00 N ATOM 1350 CA ASP B 112 3.553 -1.321 12.353 1.00 0.00 C ATOM 1351 C ASP B 112 2.279 -0.637 12.921 1.00 0.00 C ATOM 1352 O ASP B 112 2.349 0.002 13.974 1.00 0.00 O ATOM 1353 CB ASP B 112 3.532 -1.412 10.821 1.00 0.00 C ATOM 1354 CG ASP B 112 4.629 -2.316 10.263 1.00 0.00 C ATOM 1355 OD1 ASP B 112 4.611 -3.540 10.556 1.00 0.00 O ATOM 1356 OD2 ASP B 112 5.507 -1.805 9.539 1.00 0.00 O ATOM 0 H ASP B 112 4.040 -3.350 12.193 1.00 0.00 H new ATOM 0 HA ASP B 112 4.373 -0.676 12.667 1.00 0.00 H new ATOM 0 HB2 ASP B 112 2.561 -1.786 10.498 1.00 0.00 H new ATOM 0 HB3 ASP B 112 3.644 -0.412 10.401 1.00 0.00 H new ATOM 1361 N SER B 113 1.124 -0.741 12.235 1.00 0.00 N ATOM 1362 CA SER B 113 -0.132 -0.108 12.709 1.00 0.00 C ATOM 1363 C SER B 113 -1.297 -0.374 11.725 1.00 0.00 C ATOM 1364 O SER B 113 -2.100 0.511 11.419 1.00 0.00 O ATOM 1365 CB SER B 113 0.068 1.404 12.895 1.00 0.00 C ATOM 1366 OG SER B 113 -1.149 2.043 13.248 1.00 0.00 O ATOM 0 H SER B 113 1.030 -1.252 11.357 1.00 0.00 H new ATOM 0 HA SER B 113 -0.390 -0.553 13.670 1.00 0.00 H new ATOM 0 HB2 SER B 113 0.814 1.582 13.670 1.00 0.00 H new ATOM 0 HB3 SER B 113 0.456 1.838 11.974 1.00 0.00 H new ATOM 0 HG SER B 113 -1.829 1.850 12.569 1.00 0.00 H new ATOM 1372 N TYR B 114 -1.353 -1.612 11.239 1.00 0.00 N ATOM 1373 CA TYR B 114 -2.367 -2.082 10.280 1.00 0.00 C ATOM 1374 C TYR B 114 -3.687 -2.515 10.926 1.00 0.00 C ATOM 1375 O TYR B 114 -4.767 -2.231 10.402 1.00 0.00 O ATOM 1376 CB TYR B 114 -1.779 -3.252 9.517 1.00 0.00 C ATOM 1377 CG TYR B 114 -2.743 -4.373 9.255 1.00 0.00 C ATOM 1378 CD1 TYR B 114 -3.500 -4.384 8.105 1.00 0.00 C ATOM 1379 CD2 TYR B 114 -2.873 -5.426 10.146 1.00 0.00 C ATOM 1380 CE1 TYR B 114 -4.369 -5.420 7.835 1.00 0.00 C ATOM 1381 CE2 TYR B 114 -3.730 -6.469 9.895 1.00 0.00 C ATOM 1382 CZ TYR B 114 -4.478 -6.469 8.733 1.00 0.00 C ATOM 1383 OH TYR B 114 -5.329 -7.519 8.473 1.00 0.00 O ATOM 0 H TYR B 114 -0.684 -2.336 11.502 1.00 0.00 H new ATOM 0 HA TYR B 114 -2.612 -1.242 9.630 1.00 0.00 H new ATOM 0 HB2 TYR B 114 -1.394 -2.891 8.563 1.00 0.00 H new ATOM 0 HB3 TYR B 114 -0.929 -3.644 10.076 1.00 0.00 H new ATOM 0 HD1 TYR B 114 -3.412 -3.568 7.403 1.00 0.00 H new ATOM 0 HD2 TYR B 114 -2.289 -5.426 11.055 1.00 0.00 H new ATOM 0 HE1 TYR B 114 -4.960 -5.414 6.931 1.00 0.00 H new ATOM 0 HE2 TYR B 114 -3.819 -7.283 10.600 1.00 0.00 H new ATOM 0 HH TYR B 114 -5.281 -8.168 9.206 1.00 0.00 H new ATOM 1393 N GLN B 115 -3.594 -3.287 12.008 1.00 0.00 N ATOM 1394 CA GLN B 115 -4.782 -3.854 12.647 1.00 0.00 C ATOM 1395 C GLN B 115 -5.899 -2.836 12.905 1.00 0.00 C ATOM 1396 O GLN B 115 -7.060 -3.173 12.730 1.00 0.00 O ATOM 1397 CB GLN B 115 -4.408 -4.572 13.945 1.00 0.00 C ATOM 1398 CG GLN B 115 -3.316 -5.623 13.786 1.00 0.00 C ATOM 1399 CD GLN B 115 -3.769 -6.999 14.234 1.00 0.00 C ATOM 1400 OE1 GLN B 115 -4.453 -7.712 13.497 1.00 0.00 O ATOM 1401 NE2 GLN B 115 -3.400 -7.383 15.446 1.00 0.00 N ATOM 0 H GLN B 115 -2.713 -3.534 12.459 1.00 0.00 H new ATOM 0 HA GLN B 115 -5.186 -4.571 11.932 1.00 0.00 H new ATOM 0 HB2 GLN B 115 -4.080 -3.832 14.675 1.00 0.00 H new ATOM 0 HB3 GLN B 115 -5.299 -5.049 14.353 1.00 0.00 H new ATOM 0 HG2 GLN B 115 -3.007 -5.667 12.742 1.00 0.00 H new ATOM 0 HG3 GLN B 115 -2.442 -5.325 14.365 1.00 0.00 H new ATOM 0 HE21 GLN B 115 -2.834 -6.765 16.027 1.00 0.00 H new ATOM 0 HE22 GLN B 115 -3.682 -8.297 15.799 1.00 0.00 H new ATOM 1410 N LEU B 116 -5.580 -1.611 13.313 1.00 0.00 N ATOM 1411 CA LEU B 116 -6.631 -0.612 13.568 1.00 0.00 C ATOM 1412 C LEU B 116 -7.496 -0.360 12.316 1.00 0.00 C ATOM 1413 O LEU B 116 -8.723 -0.433 12.377 1.00 0.00 O ATOM 1414 CB LEU B 116 -6.021 0.703 14.061 1.00 0.00 C ATOM 1415 CG LEU B 116 -6.486 1.147 15.450 1.00 0.00 C ATOM 1416 CD1 LEU B 116 -5.573 2.230 16.004 1.00 0.00 C ATOM 1417 CD2 LEU B 116 -7.924 1.640 15.397 1.00 0.00 C ATOM 0 H LEU B 116 -4.627 -1.284 13.473 1.00 0.00 H new ATOM 0 HA LEU B 116 -7.279 -1.016 14.346 1.00 0.00 H new ATOM 0 HB2 LEU B 116 -4.936 0.602 14.072 1.00 0.00 H new ATOM 0 HB3 LEU B 116 -6.261 1.489 13.345 1.00 0.00 H new ATOM 0 HG LEU B 116 -6.438 0.286 16.117 1.00 0.00 H new ATOM 0 HD11 LEU B 116 -5.922 2.530 16.992 1.00 0.00 H new ATOM 0 HD12 LEU B 116 -4.556 1.845 16.080 1.00 0.00 H new ATOM 0 HD13 LEU B 116 -5.585 3.092 15.337 1.00 0.00 H new ATOM 0 HD21 LEU B 116 -8.239 1.952 16.393 1.00 0.00 H new ATOM 0 HD22 LEU B 116 -7.994 2.486 14.713 1.00 0.00 H new ATOM 0 HD23 LEU B 116 -8.572 0.836 15.047 1.00 0.00 H new ATOM 1429 N LEU B 117 -6.839 -0.054 11.195 1.00 0.00 N ATOM 1430 CA LEU B 117 -7.559 0.220 9.934 1.00 0.00 C ATOM 1431 C LEU B 117 -8.597 -0.868 9.634 1.00 0.00 C ATOM 1432 O LEU B 117 -9.769 -0.584 9.367 1.00 0.00 O ATOM 1433 CB LEU B 117 -6.592 0.339 8.770 1.00 0.00 C ATOM 1434 CG LEU B 117 -6.485 1.732 8.143 1.00 0.00 C ATOM 1435 CD1 LEU B 117 -7.653 1.988 7.212 1.00 0.00 C ATOM 1436 CD2 LEU B 117 -6.418 2.803 9.216 1.00 0.00 C ATOM 0 H LEU B 117 -5.823 0.012 11.127 1.00 0.00 H new ATOM 0 HA LEU B 117 -8.079 1.169 10.061 1.00 0.00 H new ATOM 0 HB2 LEU B 117 -5.602 0.035 9.110 1.00 0.00 H new ATOM 0 HB3 LEU B 117 -6.893 -0.367 7.996 1.00 0.00 H new ATOM 0 HG LEU B 117 -5.564 1.772 7.562 1.00 0.00 H new ATOM 0 HD11 LEU B 117 -7.560 2.983 6.776 1.00 0.00 H new ATOM 0 HD12 LEU B 117 -7.655 1.242 6.417 1.00 0.00 H new ATOM 0 HD13 LEU B 117 -8.586 1.924 7.772 1.00 0.00 H new ATOM 0 HD21 LEU B 117 -6.342 3.784 8.747 1.00 0.00 H new ATOM 0 HD22 LEU B 117 -7.319 2.762 9.828 1.00 0.00 H new ATOM 0 HD23 LEU B 117 -5.544 2.633 9.845 1.00 0.00 H new ATOM 1448 N LYS B 118 -8.161 -2.114 9.703 1.00 0.00 N ATOM 1449 CA LYS B 118 -9.037 -3.259 9.462 1.00 0.00 C ATOM 1450 C LYS B 118 -9.942 -3.500 10.664 1.00 0.00 C ATOM 1451 O LYS B 118 -11.067 -3.985 10.534 1.00 0.00 O ATOM 1452 CB LYS B 118 -8.198 -4.499 9.178 1.00 0.00 C ATOM 1453 CG LYS B 118 -7.225 -4.789 10.297 1.00 0.00 C ATOM 1454 CD LYS B 118 -7.155 -6.276 10.612 1.00 0.00 C ATOM 1455 CE LYS B 118 -6.894 -6.527 12.087 1.00 0.00 C ATOM 1456 NZ LYS B 118 -6.557 -7.955 12.361 1.00 0.00 N ATOM 0 H LYS B 118 -7.198 -2.365 9.926 1.00 0.00 H new ATOM 0 HA LYS B 118 -9.664 -3.046 8.596 1.00 0.00 H new ATOM 0 HB2 LYS B 118 -8.855 -5.357 9.037 1.00 0.00 H new ATOM 0 HB3 LYS B 118 -7.649 -4.361 8.246 1.00 0.00 H new ATOM 0 HG2 LYS B 118 -6.234 -4.429 10.020 1.00 0.00 H new ATOM 0 HG3 LYS B 118 -7.525 -4.242 11.191 1.00 0.00 H new ATOM 0 HD2 LYS B 118 -8.091 -6.754 10.322 1.00 0.00 H new ATOM 0 HD3 LYS B 118 -6.365 -6.737 10.019 1.00 0.00 H new ATOM 0 HE2 LYS B 118 -6.076 -5.891 12.424 1.00 0.00 H new ATOM 0 HE3 LYS B 118 -7.775 -6.245 12.664 1.00 0.00 H new ATOM 0 HZ1 LYS B 118 -7.318 -8.390 12.921 1.00 0.00 H new ATOM 0 HZ2 LYS B 118 -6.454 -8.466 11.461 1.00 0.00 H new ATOM 0 HZ3 LYS B 118 -5.664 -8.005 12.892 1.00 0.00 H new ATOM 1470 N ALA B 119 -9.429 -3.130 11.830 1.00 0.00 N ATOM 1471 CA ALA B 119 -10.156 -3.263 13.086 1.00 0.00 C ATOM 1472 C ALA B 119 -11.388 -2.378 13.071 1.00 0.00 C ATOM 1473 O ALA B 119 -12.389 -2.689 13.718 1.00 0.00 O ATOM 1474 CB ALA B 119 -9.268 -2.911 14.273 1.00 0.00 C ATOM 0 H ALA B 119 -8.497 -2.729 11.932 1.00 0.00 H new ATOM 0 HA ALA B 119 -10.465 -4.303 13.192 1.00 0.00 H new ATOM 0 HB1 ALA B 119 -9.836 -3.019 15.197 1.00 0.00 H new ATOM 0 HB2 ALA B 119 -8.408 -3.581 14.295 1.00 0.00 H new ATOM 0 HB3 ALA B 119 -8.924 -1.881 14.177 1.00 0.00 H new ATOM 1480 N TYR B 120 -11.323 -1.280 12.314 1.00 0.00 N ATOM 1481 CA TYR B 120 -12.457 -0.391 12.220 1.00 0.00 C ATOM 1482 C TYR B 120 -13.382 -0.854 11.098 1.00 0.00 C ATOM 1483 O TYR B 120 -14.589 -0.908 11.311 1.00 0.00 O ATOM 1484 CB TYR B 120 -12.025 1.094 12.120 1.00 0.00 C ATOM 1485 CG TYR B 120 -11.575 1.630 10.769 1.00 0.00 C ATOM 1486 CD1 TYR B 120 -12.315 1.437 9.610 1.00 0.00 C ATOM 1487 CD2 TYR B 120 -10.405 2.381 10.674 1.00 0.00 C ATOM 1488 CE1 TYR B 120 -11.897 1.961 8.402 1.00 0.00 C ATOM 1489 CE2 TYR B 120 -9.989 2.911 9.471 1.00 0.00 C ATOM 1490 CZ TYR B 120 -10.735 2.696 8.339 1.00 0.00 C ATOM 1491 OH TYR B 120 -10.324 3.231 7.140 1.00 0.00 O ATOM 0 H TYR B 120 -10.507 -0.998 11.770 1.00 0.00 H new ATOM 0 HA TYR B 120 -13.033 -0.440 13.144 1.00 0.00 H new ATOM 0 HB2 TYR B 120 -12.862 1.706 12.457 1.00 0.00 H new ATOM 0 HB3 TYR B 120 -11.210 1.250 12.827 1.00 0.00 H new ATOM 0 HD1 TYR B 120 -13.232 0.868 9.654 1.00 0.00 H new ATOM 0 HD2 TYR B 120 -9.812 2.551 11.561 1.00 0.00 H new ATOM 0 HE1 TYR B 120 -12.481 1.794 7.509 1.00 0.00 H new ATOM 0 HE2 TYR B 120 -9.080 3.493 9.420 1.00 0.00 H new ATOM 0 HH TYR B 120 -9.635 3.908 7.303 1.00 0.00 H new ATOM 1501 N ASP B 121 -12.812 -1.252 9.934 1.00 0.00 N ATOM 1502 CA ASP B 121 -13.626 -1.784 8.808 1.00 0.00 C ATOM 1503 C ASP B 121 -12.950 -1.630 7.442 1.00 0.00 C ATOM 1504 O ASP B 121 -13.618 -1.731 6.410 1.00 0.00 O ATOM 1505 CB ASP B 121 -15.002 -1.099 8.736 1.00 0.00 C ATOM 1506 CG ASP B 121 -16.150 -2.064 8.965 1.00 0.00 C ATOM 1507 OD1 ASP B 121 -16.219 -3.085 8.250 1.00 0.00 O ATOM 1508 OD2 ASP B 121 -16.985 -1.791 9.850 1.00 0.00 O ATOM 0 H ASP B 121 -11.809 -1.217 9.750 1.00 0.00 H new ATOM 0 HA ASP B 121 -13.737 -2.847 9.022 1.00 0.00 H new ATOM 0 HB2 ASP B 121 -15.047 -0.304 9.481 1.00 0.00 H new ATOM 0 HB3 ASP B 121 -15.118 -0.628 7.760 1.00 0.00 H new ATOM 1513 N VAL B 122 -11.649 -1.358 7.411 1.00 0.00 N ATOM 1514 CA VAL B 122 -10.960 -1.153 6.153 1.00 0.00 C ATOM 1515 C VAL B 122 -9.484 -1.478 6.261 1.00 0.00 C ATOM 1516 O VAL B 122 -8.684 -0.605 6.588 1.00 0.00 O ATOM 1517 CB VAL B 122 -11.093 0.323 5.745 1.00 0.00 C ATOM 1518 CG1 VAL B 122 -10.243 0.639 4.522 1.00 0.00 C ATOM 1519 CG2 VAL B 122 -12.543 0.706 5.500 1.00 0.00 C ATOM 0 H VAL B 122 -11.059 -1.276 8.239 1.00 0.00 H new ATOM 0 HA VAL B 122 -11.412 -1.815 5.414 1.00 0.00 H new ATOM 0 HB VAL B 122 -10.724 0.920 6.579 1.00 0.00 H new ATOM 0 HG11 VAL B 122 -10.360 1.691 4.260 1.00 0.00 H new ATOM 0 HG12 VAL B 122 -9.196 0.434 4.744 1.00 0.00 H new ATOM 0 HG13 VAL B 122 -10.564 0.019 3.685 1.00 0.00 H new ATOM 0 HG21 VAL B 122 -12.599 1.756 5.214 1.00 0.00 H new ATOM 0 HG22 VAL B 122 -12.952 0.089 4.700 1.00 0.00 H new ATOM 0 HG23 VAL B 122 -13.120 0.547 6.411 1.00 0.00 H new ATOM 1529 N ASN B 123 -9.109 -2.722 5.980 1.00 0.00 N ATOM 1530 CA ASN B 123 -7.697 -3.083 6.032 1.00 0.00 C ATOM 1531 C ASN B 123 -6.956 -2.152 5.065 1.00 0.00 C ATOM 1532 O ASN B 123 -6.484 -1.085 5.457 1.00 0.00 O ATOM 1533 CB ASN B 123 -7.459 -4.574 5.688 1.00 0.00 C ATOM 1534 CG ASN B 123 -8.734 -5.394 5.601 1.00 0.00 C ATOM 1535 OD1 ASN B 123 -9.370 -5.677 6.610 1.00 0.00 O ATOM 1536 ND2 ASN B 123 -9.117 -5.777 4.392 1.00 0.00 N ATOM 0 H ASN B 123 -9.743 -3.478 5.721 1.00 0.00 H new ATOM 0 HA ASN B 123 -7.319 -2.960 7.047 1.00 0.00 H new ATOM 0 HB2 ASN B 123 -6.931 -4.638 4.736 1.00 0.00 H new ATOM 0 HB3 ASN B 123 -6.807 -5.012 6.444 1.00 0.00 H new ATOM 0 HD21 ASN B 123 -9.968 -6.327 4.277 1.00 0.00 H new ATOM 0 HD22 ASN B 123 -8.561 -5.522 3.576 1.00 0.00 H new ATOM 1543 N ILE B 124 -6.863 -2.540 3.805 1.00 0.00 N ATOM 1544 CA ILE B 124 -6.187 -1.681 2.842 1.00 0.00 C ATOM 1545 C ILE B 124 -6.609 -1.851 1.390 1.00 0.00 C ATOM 1546 O ILE B 124 -6.069 -1.155 0.534 1.00 0.00 O ATOM 1547 CB ILE B 124 -4.658 -1.784 2.919 1.00 0.00 C ATOM 1548 CG1 ILE B 124 -4.228 -2.947 3.790 1.00 0.00 C ATOM 1549 CG2 ILE B 124 -4.078 -0.487 3.449 1.00 0.00 C ATOM 1550 CD1 ILE B 124 -4.818 -4.251 3.333 1.00 0.00 C ATOM 0 H ILE B 124 -7.233 -3.414 3.431 1.00 0.00 H new ATOM 0 HA ILE B 124 -6.516 -0.690 3.155 1.00 0.00 H new ATOM 0 HB ILE B 124 -4.278 -1.962 1.913 1.00 0.00 H new ATOM 0 HG12 ILE B 124 -3.141 -3.021 3.783 1.00 0.00 H new ATOM 0 HG13 ILE B 124 -4.528 -2.757 4.820 1.00 0.00 H new ATOM 0 HG21 ILE B 124 -2.992 -0.568 3.501 1.00 0.00 H new ATOM 0 HG22 ILE B 124 -4.349 0.332 2.783 1.00 0.00 H new ATOM 0 HG23 ILE B 124 -4.475 -0.291 4.445 1.00 0.00 H new ATOM 0 HD11 ILE B 124 -4.480 -5.053 3.989 1.00 0.00 H new ATOM 0 HD12 ILE B 124 -5.906 -4.190 3.366 1.00 0.00 H new ATOM 0 HD13 ILE B 124 -4.497 -4.458 2.312 1.00 0.00 H new ATOM 1562 N SER B 125 -7.538 -2.759 1.096 1.00 0.00 N ATOM 1563 CA SER B 125 -7.951 -2.959 -0.298 1.00 0.00 C ATOM 1564 C SER B 125 -8.033 -1.597 -1.012 1.00 0.00 C ATOM 1565 O SER B 125 -7.270 -1.322 -1.951 1.00 0.00 O ATOM 1566 CB SER B 125 -9.294 -3.689 -0.375 1.00 0.00 C ATOM 1567 OG SER B 125 -10.260 -3.066 0.454 1.00 0.00 O ATOM 0 H SER B 125 -8.009 -3.353 1.779 1.00 0.00 H new ATOM 0 HA SER B 125 -7.208 -3.581 -0.797 1.00 0.00 H new ATOM 0 HB2 SER B 125 -9.647 -3.700 -1.406 1.00 0.00 H new ATOM 0 HB3 SER B 125 -9.165 -4.728 -0.071 1.00 0.00 H new ATOM 0 HG SER B 125 -11.110 -3.549 0.386 1.00 0.00 H new ATOM 1573 N GLY B 126 -8.939 -0.734 -0.539 1.00 0.00 N ATOM 1574 CA GLY B 126 -9.081 0.601 -1.106 1.00 0.00 C ATOM 1575 C GLY B 126 -8.115 1.599 -0.479 1.00 0.00 C ATOM 1576 O GLY B 126 -7.679 2.546 -1.139 1.00 0.00 O ATOM 0 H GLY B 126 -9.578 -0.939 0.229 1.00 0.00 H new ATOM 0 HA2 GLY B 126 -8.908 0.557 -2.181 1.00 0.00 H new ATOM 0 HA3 GLY B 126 -10.104 0.948 -0.961 1.00 0.00 H new ATOM 1580 N LEU B 127 -7.765 1.381 0.796 1.00 0.00 N ATOM 1581 CA LEU B 127 -6.831 2.259 1.498 1.00 0.00 C ATOM 1582 C LEU B 127 -5.500 2.304 0.769 1.00 0.00 C ATOM 1583 O LEU B 127 -5.070 3.366 0.317 1.00 0.00 O ATOM 1584 CB LEU B 127 -6.596 1.778 2.927 1.00 0.00 C ATOM 1585 CG LEU B 127 -6.095 2.845 3.895 1.00 0.00 C ATOM 1586 CD1 LEU B 127 -7.257 3.648 4.451 1.00 0.00 C ATOM 1587 CD2 LEU B 127 -5.298 2.195 5.016 1.00 0.00 C ATOM 0 H LEU B 127 -8.116 0.605 1.357 1.00 0.00 H new ATOM 0 HA LEU B 127 -7.271 3.256 1.525 1.00 0.00 H new ATOM 0 HB2 LEU B 127 -7.529 1.368 3.314 1.00 0.00 H new ATOM 0 HB3 LEU B 127 -5.874 0.962 2.905 1.00 0.00 H new ATOM 0 HG LEU B 127 -5.441 3.531 3.357 1.00 0.00 H new ATOM 0 HD11 LEU B 127 -6.880 4.404 5.140 1.00 0.00 H new ATOM 0 HD12 LEU B 127 -7.788 4.135 3.633 1.00 0.00 H new ATOM 0 HD13 LEU B 127 -7.939 2.983 4.981 1.00 0.00 H new ATOM 0 HD21 LEU B 127 -4.944 2.963 5.703 1.00 0.00 H new ATOM 0 HD22 LEU B 127 -5.934 1.492 5.554 1.00 0.00 H new ATOM 0 HD23 LEU B 127 -4.445 1.663 4.595 1.00 0.00 H new ATOM 1599 N VAL B 128 -4.851 1.140 0.653 1.00 0.00 N ATOM 1600 CA VAL B 128 -3.570 1.048 -0.033 1.00 0.00 C ATOM 1601 C VAL B 128 -3.668 1.690 -1.404 1.00 0.00 C ATOM 1602 O VAL B 128 -3.026 2.679 -1.661 1.00 0.00 O ATOM 1603 CB VAL B 128 -3.088 -0.419 -0.176 1.00 0.00 C ATOM 1604 CG1 VAL B 128 -2.175 -0.598 -1.383 1.00 0.00 C ATOM 1605 CG2 VAL B 128 -2.368 -0.849 1.080 1.00 0.00 C ATOM 0 H VAL B 128 -5.195 0.255 1.026 1.00 0.00 H new ATOM 0 HA VAL B 128 -2.837 1.580 0.574 1.00 0.00 H new ATOM 0 HB VAL B 128 -3.968 -1.044 -0.328 1.00 0.00 H new ATOM 0 HG11 VAL B 128 -1.859 -1.639 -1.449 1.00 0.00 H new ATOM 0 HG12 VAL B 128 -2.714 -0.324 -2.290 1.00 0.00 H new ATOM 0 HG13 VAL B 128 -1.299 0.041 -1.274 1.00 0.00 H new ATOM 0 HG21 VAL B 128 -2.032 -1.880 0.972 1.00 0.00 H new ATOM 0 HG22 VAL B 128 -1.506 -0.202 1.245 1.00 0.00 H new ATOM 0 HG23 VAL B 128 -3.045 -0.775 1.931 1.00 0.00 H new ATOM 1615 N SER B 129 -4.483 1.113 -2.266 1.00 0.00 N ATOM 1616 CA SER B 129 -4.673 1.594 -3.632 1.00 0.00 C ATOM 1617 C SER B 129 -4.928 3.099 -3.736 1.00 0.00 C ATOM 1618 O SER B 129 -4.321 3.762 -4.582 1.00 0.00 O ATOM 1619 CB SER B 129 -5.849 0.858 -4.239 1.00 0.00 C ATOM 1620 OG SER B 129 -6.943 0.799 -3.335 1.00 0.00 O ATOM 0 H SER B 129 -5.040 0.289 -2.041 1.00 0.00 H new ATOM 0 HA SER B 129 -3.742 1.401 -4.166 1.00 0.00 H new ATOM 0 HB2 SER B 129 -6.159 1.358 -5.157 1.00 0.00 H new ATOM 0 HB3 SER B 129 -5.546 -0.153 -4.513 1.00 0.00 H new ATOM 0 HG SER B 129 -7.161 -0.138 -3.146 1.00 0.00 H new ATOM 1626 N THR B 130 -5.792 3.654 -2.889 1.00 0.00 N ATOM 1627 CA THR B 130 -6.051 5.088 -2.941 1.00 0.00 C ATOM 1628 C THR B 130 -4.849 5.820 -2.383 1.00 0.00 C ATOM 1629 O THR B 130 -4.349 6.770 -2.986 1.00 0.00 O ATOM 1630 CB THR B 130 -7.335 5.467 -2.186 1.00 0.00 C ATOM 1631 OG1 THR B 130 -7.996 6.534 -2.846 1.00 0.00 O ATOM 1632 CG2 THR B 130 -7.117 5.897 -0.749 1.00 0.00 C ATOM 0 H THR B 130 -6.313 3.146 -2.175 1.00 0.00 H new ATOM 0 HA THR B 130 -6.209 5.382 -3.979 1.00 0.00 H new ATOM 0 HB THR B 130 -7.929 4.553 -2.176 1.00 0.00 H new ATOM 0 HG1 THR B 130 -8.813 6.765 -2.357 1.00 0.00 H new ATOM 0 HG21 THR B 130 -8.076 6.146 -0.294 1.00 0.00 H new ATOM 0 HG22 THR B 130 -6.651 5.084 -0.192 1.00 0.00 H new ATOM 0 HG23 THR B 130 -6.467 6.771 -0.726 1.00 0.00 H new ATOM 1640 N THR B 131 -4.368 5.342 -1.240 1.00 0.00 N ATOM 1641 CA THR B 131 -3.200 5.928 -0.609 1.00 0.00 C ATOM 1642 C THR B 131 -1.996 5.824 -1.544 1.00 0.00 C ATOM 1643 O THR B 131 -1.177 6.742 -1.625 1.00 0.00 O ATOM 1644 CB THR B 131 -2.886 5.246 0.728 1.00 0.00 C ATOM 1645 OG1 THR B 131 -4.034 5.197 1.556 1.00 0.00 O ATOM 1646 CG2 THR B 131 -1.798 5.941 1.509 1.00 0.00 C ATOM 0 H THR B 131 -4.771 4.552 -0.736 1.00 0.00 H new ATOM 0 HA THR B 131 -3.415 6.978 -0.409 1.00 0.00 H new ATOM 0 HB THR B 131 -2.547 4.244 0.463 1.00 0.00 H new ATOM 0 HG1 THR B 131 -4.491 4.339 1.431 1.00 0.00 H new ATOM 0 HG21 THR B 131 -1.624 5.408 2.444 1.00 0.00 H new ATOM 0 HG22 THR B 131 -0.880 5.953 0.922 1.00 0.00 H new ATOM 0 HG23 THR B 131 -2.103 6.965 1.726 1.00 0.00 H new ATOM 1654 N MET B 132 -1.908 4.696 -2.257 1.00 0.00 N ATOM 1655 CA MET B 132 -0.830 4.440 -3.196 1.00 0.00 C ATOM 1656 C MET B 132 -0.799 5.488 -4.282 1.00 0.00 C ATOM 1657 O MET B 132 0.196 6.156 -4.465 1.00 0.00 O ATOM 1658 CB MET B 132 -1.010 3.079 -3.888 1.00 0.00 C ATOM 1659 CG MET B 132 -0.864 1.853 -3.007 1.00 0.00 C ATOM 1660 SD MET B 132 0.218 2.090 -1.608 1.00 0.00 S ATOM 1661 CE MET B 132 1.211 0.628 -1.824 1.00 0.00 C ATOM 0 H MET B 132 -2.588 3.938 -2.193 1.00 0.00 H new ATOM 0 HA MET B 132 0.095 4.456 -2.619 1.00 0.00 H new ATOM 0 HB2 MET B 132 -1.999 3.056 -4.345 1.00 0.00 H new ATOM 0 HB3 MET B 132 -0.283 3.008 -4.697 1.00 0.00 H new ATOM 0 HG2 MET B 132 -1.849 1.558 -2.646 1.00 0.00 H new ATOM 0 HG3 MET B 132 -0.486 1.028 -3.610 1.00 0.00 H new ATOM 0 HE1 MET B 132 2.079 0.677 -1.167 1.00 0.00 H new ATOM 0 HE2 MET B 132 0.619 -0.254 -1.578 1.00 0.00 H new ATOM 0 HE3 MET B 132 1.543 0.564 -2.860 1.00 0.00 H new ATOM 1671 N GLN B 133 -1.903 5.614 -5.008 1.00 0.00 N ATOM 1672 CA GLN B 133 -1.989 6.573 -6.101 1.00 0.00 C ATOM 1673 C GLN B 133 -1.744 8.001 -5.625 1.00 0.00 C ATOM 1674 O GLN B 133 -1.133 8.790 -6.343 1.00 0.00 O ATOM 1675 CB GLN B 133 -3.340 6.441 -6.803 1.00 0.00 C ATOM 1676 CG GLN B 133 -4.013 7.763 -7.155 1.00 0.00 C ATOM 1677 CD GLN B 133 -4.723 7.712 -8.490 1.00 0.00 C ATOM 1678 OE1 GLN B 133 -4.279 8.318 -9.460 1.00 0.00 O ATOM 1679 NE2 GLN B 133 -5.824 6.981 -8.550 1.00 0.00 N ATOM 0 H GLN B 133 -2.750 5.065 -4.860 1.00 0.00 H new ATOM 0 HA GLN B 133 -1.200 6.345 -6.818 1.00 0.00 H new ATOM 0 HB2 GLN B 133 -3.203 5.865 -7.718 1.00 0.00 H new ATOM 0 HB3 GLN B 133 -4.011 5.868 -6.163 1.00 0.00 H new ATOM 0 HG2 GLN B 133 -4.729 8.022 -6.375 1.00 0.00 H new ATOM 0 HG3 GLN B 133 -3.264 8.555 -7.175 1.00 0.00 H new ATOM 0 HE21 GLN B 133 -6.158 6.493 -7.719 1.00 0.00 H new ATOM 0 HE22 GLN B 133 -6.339 6.905 -9.427 1.00 0.00 H new ATOM 1688 N ASN B 134 -2.203 8.334 -4.422 1.00 0.00 N ATOM 1689 CA ASN B 134 -1.994 9.679 -3.894 1.00 0.00 C ATOM 1690 C ASN B 134 -0.545 9.865 -3.465 1.00 0.00 C ATOM 1691 O ASN B 134 0.110 10.828 -3.872 1.00 0.00 O ATOM 1692 CB ASN B 134 -2.937 9.965 -2.718 1.00 0.00 C ATOM 1693 CG ASN B 134 -4.401 9.887 -3.094 1.00 0.00 C ATOM 1694 OD1 ASN B 134 -4.795 10.266 -4.195 1.00 0.00 O ATOM 1695 ND2 ASN B 134 -5.221 9.398 -2.176 1.00 0.00 N ATOM 0 H ASN B 134 -2.713 7.704 -3.803 1.00 0.00 H new ATOM 0 HA ASN B 134 -2.219 10.389 -4.690 1.00 0.00 H new ATOM 0 HB2 ASN B 134 -2.736 9.253 -1.918 1.00 0.00 H new ATOM 0 HB3 ASN B 134 -2.723 10.958 -2.322 1.00 0.00 H new ATOM 0 HD21 ASN B 134 -6.220 9.325 -2.371 1.00 0.00 H new ATOM 0 HD22 ASN B 134 -4.854 9.094 -1.274 1.00 0.00 H new ATOM 1702 N GLU B 135 -0.036 8.914 -2.683 1.00 0.00 N ATOM 1703 CA GLU B 135 1.354 8.956 -2.247 1.00 0.00 C ATOM 1704 C GLU B 135 2.267 8.685 -3.447 1.00 0.00 C ATOM 1705 O GLU B 135 3.439 9.017 -3.427 1.00 0.00 O ATOM 1706 CB GLU B 135 1.592 7.931 -1.125 1.00 0.00 C ATOM 1707 CG GLU B 135 3.062 7.607 -0.859 1.00 0.00 C ATOM 1708 CD GLU B 135 3.916 8.820 -0.530 1.00 0.00 C ATOM 1709 OE1 GLU B 135 3.388 9.793 0.047 1.00 0.00 O ATOM 1710 OE2 GLU B 135 5.127 8.785 -0.851 1.00 0.00 O ATOM 0 H GLU B 135 -0.564 8.111 -2.341 1.00 0.00 H new ATOM 0 HA GLU B 135 1.584 9.944 -1.847 1.00 0.00 H new ATOM 0 HB2 GLU B 135 1.145 8.308 -0.205 1.00 0.00 H new ATOM 0 HB3 GLU B 135 1.070 7.008 -1.378 1.00 0.00 H new ATOM 0 HG2 GLU B 135 3.123 6.899 -0.033 1.00 0.00 H new ATOM 0 HG3 GLU B 135 3.478 7.111 -1.736 1.00 0.00 H new ATOM 1717 N ALA B 136 1.708 8.072 -4.491 1.00 0.00 N ATOM 1718 CA ALA B 136 2.451 7.753 -5.704 1.00 0.00 C ATOM 1719 C ALA B 136 2.436 8.886 -6.728 1.00 0.00 C ATOM 1720 O ALA B 136 3.491 9.301 -7.201 1.00 0.00 O ATOM 1721 CB ALA B 136 1.902 6.493 -6.334 1.00 0.00 C ATOM 0 H ALA B 136 0.730 7.785 -4.517 1.00 0.00 H new ATOM 0 HA ALA B 136 3.488 7.603 -5.404 1.00 0.00 H new ATOM 0 HB1 ALA B 136 2.464 6.264 -7.239 1.00 0.00 H new ATOM 0 HB2 ALA B 136 1.993 5.665 -5.631 1.00 0.00 H new ATOM 0 HB3 ALA B 136 0.852 6.640 -6.587 1.00 0.00 H new ATOM 1727 N ARG B 137 1.239 9.386 -7.087 1.00 0.00 N ATOM 1728 CA ARG B 137 1.150 10.460 -8.080 1.00 0.00 C ATOM 1729 C ARG B 137 1.954 11.646 -7.634 1.00 0.00 C ATOM 1730 O ARG B 137 2.854 12.114 -8.334 1.00 0.00 O ATOM 1731 CB ARG B 137 -0.277 10.930 -8.273 1.00 0.00 C ATOM 1732 CG ARG B 137 -0.900 10.481 -9.585 1.00 0.00 C ATOM 1733 CD ARG B 137 -2.391 10.766 -9.619 1.00 0.00 C ATOM 1734 NE ARG B 137 -2.922 10.765 -10.990 1.00 0.00 N ATOM 1735 CZ ARG B 137 -4.219 10.773 -11.297 1.00 0.00 C ATOM 1736 NH1 ARG B 137 -5.134 10.739 -10.353 1.00 0.00 N ATOM 1737 NH2 ARG B 137 -4.606 10.815 -12.553 1.00 0.00 N ATOM 0 H ARG B 137 0.344 9.070 -6.713 1.00 0.00 H new ATOM 0 HA ARG B 137 1.532 10.054 -9.017 1.00 0.00 H new ATOM 0 HB2 ARG B 137 -0.886 10.561 -7.448 1.00 0.00 H new ATOM 0 HB3 ARG B 137 -0.301 12.019 -8.224 1.00 0.00 H new ATOM 0 HG2 ARG B 137 -0.412 10.992 -10.415 1.00 0.00 H new ATOM 0 HG3 ARG B 137 -0.729 9.413 -9.724 1.00 0.00 H new ATOM 0 HD2 ARG B 137 -2.917 10.017 -9.026 1.00 0.00 H new ATOM 0 HD3 ARG B 137 -2.586 11.733 -9.156 1.00 0.00 H new ATOM 0 HE ARG B 137 -2.252 10.758 -11.759 1.00 0.00 H new ATOM 0 HH11 ARG B 137 -4.854 10.706 -9.373 1.00 0.00 H new ATOM 0 HH12 ARG B 137 -6.123 10.746 -10.601 1.00 0.00 H new ATOM 0 HH21 ARG B 137 -3.912 10.842 -13.300 1.00 0.00 H new ATOM 0 HH22 ARG B 137 -5.600 10.821 -12.780 1.00 0.00 H new ATOM 1751 N ARG B 138 1.614 12.122 -6.451 1.00 0.00 N ATOM 1752 CA ARG B 138 2.302 13.254 -5.890 1.00 0.00 C ATOM 1753 C ARG B 138 3.705 12.832 -5.439 1.00 0.00 C ATOM 1754 O ARG B 138 4.660 13.601 -5.545 1.00 0.00 O ATOM 1755 CB ARG B 138 1.524 13.857 -4.715 1.00 0.00 C ATOM 1756 CG ARG B 138 1.682 15.368 -4.591 1.00 0.00 C ATOM 1757 CD ARG B 138 3.072 15.761 -4.100 1.00 0.00 C ATOM 1758 NE ARG B 138 3.659 16.826 -4.919 1.00 0.00 N ATOM 1759 CZ ARG B 138 4.608 17.662 -4.508 1.00 0.00 C ATOM 1760 NH1 ARG B 138 5.169 17.532 -3.322 1.00 0.00 N ATOM 1761 NH2 ARG B 138 5.019 18.611 -5.317 1.00 0.00 N ATOM 0 H ARG B 138 0.869 11.741 -5.868 1.00 0.00 H new ATOM 0 HA ARG B 138 2.383 14.021 -6.660 1.00 0.00 H new ATOM 0 HB2 ARG B 138 0.467 13.619 -4.830 1.00 0.00 H new ATOM 0 HB3 ARG B 138 1.858 13.388 -3.790 1.00 0.00 H new ATOM 0 HG2 ARG B 138 1.495 15.832 -5.559 1.00 0.00 H new ATOM 0 HG3 ARG B 138 0.932 15.755 -3.902 1.00 0.00 H new ATOM 0 HD2 ARG B 138 3.011 16.092 -3.063 1.00 0.00 H new ATOM 0 HD3 ARG B 138 3.724 14.888 -4.118 1.00 0.00 H new ATOM 0 HE ARG B 138 3.315 16.933 -5.873 1.00 0.00 H new ATOM 0 HH11 ARG B 138 4.877 16.779 -2.699 1.00 0.00 H new ATOM 0 HH12 ARG B 138 5.895 18.185 -3.027 1.00 0.00 H new ATOM 0 HH21 ARG B 138 4.611 18.700 -6.248 1.00 0.00 H new ATOM 0 HH22 ARG B 138 5.746 19.259 -5.015 1.00 0.00 H new