USER MOD reduce.3.24.130724 H: found=0, std=0, add=945, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 945 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 56 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 68 CYS SG : rot -120:sc= -0.653 USER MOD Set 1.3: A 88 THR OG1 : rot 174:sc= -2.01! USER MOD Set 1.4: A 119 HIS : no HD1:sc= -0.662 K(o=-0.99,f=-11!) USER MOD Set 1.5: A 131 HIS : no HD1:sc= 1.04 K(o=-0.99,f=-17!) USER MOD Set 1.6: A 141 SER OG : rot 68:sc= 1.3 USER MOD Set 2.1: A 99 SER OG : rot -119:sc= 0.116 USER MOD Set 2.2: A 101 SER OG : rot 70:sc= 1.26 USER MOD Set 2.3: A 102 ASN : amide:sc= 0.634 K(o=2,f=-3.6!) USER MOD Set 3.1: A 47 GLN : amide:sc= 0.69 K(o=-2.5,f=-7) USER MOD Set 3.2: A 79 GLN : amide:sc= -3.24 K(o=-2.5,f=-7!) USER MOD Set 4.1: A 69 SER OG : rot -80:sc= -0.795 USER MOD Set 4.2: A 91 GLN : amide:sc= 0.819 K(o=0.024,f=-3.9!) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 45 MET CE :methyl 142:sc= -1.18 (180deg=-3.85!) USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 62 THR OG1 : rot 180:sc= -0.0986 USER MOD Single : A 63 LYS NZ :NH3+ 162:sc= 1 (180deg=-0.0245) USER MOD Single : A 64 LYS NZ :NH3+ -170:sc=-0.00885 (180deg=-0.117) USER MOD Single : A 73 GLN : amide:sc=-0.00118 X(o=-0.0012,f=-0.31) USER MOD Single : A 75 THR OG1 : rot 68:sc= 0.0116 USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 89 TYR OH : rot -89:sc= 0.399 USER MOD Single : A 92 GLN : amide:sc= -1.28 K(o=-1.3,f=-7.3!) USER MOD Single : A 94 MET CE :methyl -162:sc= -0.0817 (180deg=-0.526) USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD Single : A 105 THR OG1 : rot -81:sc= 0.919 USER MOD Single : A 123 TYR OH : rot 15:sc= 0.784 USER MOD Single : A 126 ASN : amide:sc= -0.467 K(o=-0.47,f=-3.4!) USER MOD Single : A 127 ASN : amide:sc= 0.866 K(o=0.87,f=-5.6!) USER MOD Single : A 128 GLN : amide:sc= -0.442 X(o=-0.44,f=0) USER MOD Single : A 133 SER OG : rot 180:sc= 0.00484 USER MOD Single : A 134 THR OG1 : rot 180:sc= 0 USER MOD Single : A 135 SER OG : rot 180:sc= 0 USER MOD Single : A 136 SER OG : rot 180:sc= 0 USER MOD Single : A 142 SER OG : rot 170:sc= -2.08! USER MOD Single : A 143 MET CE :methyl -141:sc= -0.207 (180deg=-1.62) USER MOD Single : A 144 ASN : amide:sc= -2.82! C(o=-2.8!,f=-13!) USER MOD Single : A 147 TYR OH : rot 180:sc= 0.169 USER MOD Single : A 149 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 150 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 152 TYR OH : rot 180:sc= -0.0587 USER MOD Single : A 153 ASN : amide:sc= 0 K(o=0,f=-0.52) USER MOD ----------------------------------------------------------------- ATOM 50 N ASP A 39 -9.094 -14.497 3.161 1.00 4.42 N ATOM 51 CA ASP A 39 -8.380 -13.943 2.013 1.00 21.14 C ATOM 52 C ASP A 39 -7.814 -12.550 2.332 1.00 73.21 C ATOM 53 O ASP A 39 -8.375 -11.798 3.135 1.00 31.33 O ATOM 54 CB ASP A 39 -9.299 -13.888 0.788 1.00 44.13 C ATOM 55 CG ASP A 39 -10.536 -13.049 1.033 1.00 42.51 C ATOM 56 OD1 ASP A 39 -11.479 -13.554 1.679 1.00 63.34 O ATOM 57 OD2 ASP A 39 -10.569 -11.883 0.591 1.00 74.33 O ATOM 0 HA ASP A 39 -7.540 -14.600 1.787 1.00 21.14 H new ATOM 0 HB2 ASP A 39 -8.748 -13.479 -0.059 1.00 44.13 H new ATOM 0 HB3 ASP A 39 -9.598 -14.900 0.515 1.00 44.13 H new ATOM 62 N VAL A 40 -6.700 -12.217 1.691 1.00 52.12 N ATOM 63 CA VAL A 40 -6.004 -10.951 1.927 1.00 30.44 C ATOM 64 C VAL A 40 -6.861 -9.734 1.526 1.00 4.30 C ATOM 65 O VAL A 40 -6.881 -8.718 2.226 1.00 52.35 O ATOM 66 CB VAL A 40 -4.661 -10.924 1.147 1.00 71.11 C ATOM 67 CG1 VAL A 40 -3.919 -9.604 1.347 1.00 71.20 C ATOM 68 CG2 VAL A 40 -3.779 -12.103 1.553 1.00 4.30 C ATOM 0 H VAL A 40 -6.252 -12.813 0.994 1.00 52.12 H new ATOM 0 HA VAL A 40 -5.811 -10.884 2.998 1.00 30.44 H new ATOM 0 HB VAL A 40 -4.895 -11.012 0.086 1.00 71.11 H new ATOM 0 HG11 VAL A 40 -2.985 -9.623 0.786 1.00 71.20 H new ATOM 0 HG12 VAL A 40 -4.539 -8.781 0.992 1.00 71.20 H new ATOM 0 HG13 VAL A 40 -3.703 -9.465 2.406 1.00 71.20 H new ATOM 0 HG21 VAL A 40 -2.843 -12.066 0.996 1.00 4.30 H new ATOM 0 HG22 VAL A 40 -3.568 -12.049 2.621 1.00 4.30 H new ATOM 0 HG23 VAL A 40 -4.296 -13.037 1.333 1.00 4.30 H new ATOM 78 N LYS A 41 -7.594 -9.858 0.422 1.00 44.45 N ATOM 79 CA LYS A 41 -8.345 -8.732 -0.153 1.00 14.21 C ATOM 80 C LYS A 41 -9.445 -8.207 0.793 1.00 44.13 C ATOM 81 O LYS A 41 -9.477 -7.015 1.117 1.00 22.21 O ATOM 82 CB LYS A 41 -8.958 -9.152 -1.498 1.00 24.21 C ATOM 83 CG LYS A 41 -9.551 -7.995 -2.299 1.00 1.55 C ATOM 84 CD LYS A 41 -10.094 -8.462 -3.649 1.00 43.12 C ATOM 85 CE LYS A 41 -10.664 -7.305 -4.467 1.00 21.12 C ATOM 86 NZ LYS A 41 -11.293 -7.773 -5.730 1.00 60.41 N ATOM 0 H LYS A 41 -7.687 -10.730 -0.099 1.00 44.45 H new ATOM 0 HA LYS A 41 -7.641 -7.914 -0.304 1.00 14.21 H new ATOM 0 HB2 LYS A 41 -8.191 -9.640 -2.099 1.00 24.21 H new ATOM 0 HB3 LYS A 41 -9.738 -9.891 -1.315 1.00 24.21 H new ATOM 0 HG2 LYS A 41 -10.352 -7.529 -1.726 1.00 1.55 H new ATOM 0 HG3 LYS A 41 -8.788 -7.233 -2.458 1.00 1.55 H new ATOM 0 HD2 LYS A 41 -9.297 -8.946 -4.213 1.00 43.12 H new ATOM 0 HD3 LYS A 41 -10.871 -9.210 -3.488 1.00 43.12 H new ATOM 0 HE2 LYS A 41 -11.403 -6.769 -3.871 1.00 21.12 H new ATOM 0 HE3 LYS A 41 -9.868 -6.598 -4.699 1.00 21.12 H new ATOM 0 HZ1 LYS A 41 -11.667 -6.957 -6.255 1.00 60.41 H new ATOM 0 HZ2 LYS A 41 -10.583 -8.262 -6.311 1.00 60.41 H new ATOM 0 HZ3 LYS A 41 -12.070 -8.428 -5.509 1.00 60.41 H new ATOM 100 N SER A 42 -10.341 -9.091 1.230 1.00 61.32 N ATOM 101 CA SER A 42 -11.473 -8.697 2.090 1.00 53.32 C ATOM 102 C SER A 42 -11.001 -8.013 3.384 1.00 51.34 C ATOM 103 O SER A 42 -11.568 -7.000 3.803 1.00 61.11 O ATOM 104 CB SER A 42 -12.335 -9.919 2.441 1.00 14.12 C ATOM 105 OG SER A 42 -13.438 -9.560 3.267 1.00 34.53 O ATOM 0 H SER A 42 -10.311 -10.086 1.007 1.00 61.32 H new ATOM 0 HA SER A 42 -12.068 -7.980 1.525 1.00 53.32 H new ATOM 0 HB2 SER A 42 -12.701 -10.383 1.525 1.00 14.12 H new ATOM 0 HB3 SER A 42 -11.723 -10.662 2.952 1.00 14.12 H new ATOM 0 HG SER A 42 -13.967 -10.359 3.471 1.00 34.53 H new ATOM 111 N ARG A 43 -9.958 -8.567 4.003 1.00 51.01 N ATOM 112 CA ARG A 43 -9.389 -8.006 5.240 1.00 14.21 C ATOM 113 C ARG A 43 -8.907 -6.558 5.032 1.00 14.33 C ATOM 114 O ARG A 43 -9.179 -5.675 5.847 1.00 64.32 O ATOM 115 CB ARG A 43 -8.224 -8.888 5.720 1.00 21.34 C ATOM 116 CG ARG A 43 -8.634 -10.329 6.029 1.00 62.21 C ATOM 117 CD ARG A 43 -9.455 -10.437 7.313 1.00 54.52 C ATOM 118 NE ARG A 43 -8.613 -10.492 8.513 1.00 51.21 N ATOM 119 CZ ARG A 43 -9.029 -10.207 9.719 1.00 33.54 C ATOM 120 NH1 ARG A 43 -10.221 -9.740 9.918 1.00 62.42 N ATOM 121 NH2 ARG A 43 -8.236 -10.378 10.725 1.00 53.12 N ATOM 0 H ARG A 43 -9.485 -9.407 3.670 1.00 51.01 H new ATOM 0 HA ARG A 43 -10.172 -7.990 5.999 1.00 14.21 H new ATOM 0 HB2 ARG A 43 -7.447 -8.896 4.956 1.00 21.34 H new ATOM 0 HB3 ARG A 43 -7.787 -8.444 6.614 1.00 21.34 H new ATOM 0 HG2 ARG A 43 -9.214 -10.726 5.196 1.00 62.21 H new ATOM 0 HG3 ARG A 43 -7.741 -10.947 6.119 1.00 62.21 H new ATOM 0 HD2 ARG A 43 -10.128 -9.582 7.384 1.00 54.52 H new ATOM 0 HD3 ARG A 43 -10.078 -11.330 7.268 1.00 54.52 H new ATOM 0 HE ARG A 43 -7.639 -10.771 8.399 1.00 51.21 H new ATOM 0 HH11 ARG A 43 -10.849 -9.590 9.128 1.00 62.42 H new ATOM 0 HH12 ARG A 43 -10.532 -9.522 10.865 1.00 62.42 H new ATOM 0 HH21 ARG A 43 -7.292 -10.733 10.575 1.00 53.12 H new ATOM 0 HH22 ARG A 43 -8.554 -10.158 11.669 1.00 53.12 H new ATOM 135 N ILE A 44 -8.204 -6.320 3.930 1.00 64.43 N ATOM 136 CA ILE A 44 -7.692 -4.981 3.609 1.00 72.20 C ATOM 137 C ILE A 44 -8.829 -4.007 3.251 1.00 54.44 C ATOM 138 O ILE A 44 -8.853 -2.866 3.716 1.00 45.15 O ATOM 139 CB ILE A 44 -6.679 -5.049 2.441 1.00 22.25 C ATOM 140 CG1 ILE A 44 -5.497 -5.955 2.818 1.00 25.44 C ATOM 141 CG2 ILE A 44 -6.191 -3.649 2.056 1.00 14.12 C ATOM 142 CD1 ILE A 44 -4.547 -6.225 1.672 1.00 35.42 C ATOM 0 H ILE A 44 -7.972 -7.034 3.239 1.00 64.43 H new ATOM 0 HA ILE A 44 -7.190 -4.607 4.501 1.00 72.20 H new ATOM 0 HB ILE A 44 -7.181 -5.476 1.573 1.00 22.25 H new ATOM 0 HG12 ILE A 44 -4.944 -5.494 3.636 1.00 25.44 H new ATOM 0 HG13 ILE A 44 -5.883 -6.904 3.190 1.00 25.44 H new ATOM 0 HG21 ILE A 44 -5.480 -3.725 1.233 1.00 14.12 H new ATOM 0 HG22 ILE A 44 -7.040 -3.040 1.747 1.00 14.12 H new ATOM 0 HG23 ILE A 44 -5.705 -3.185 2.914 1.00 14.12 H new ATOM 0 HD11 ILE A 44 -3.739 -6.871 2.014 1.00 35.42 H new ATOM 0 HD12 ILE A 44 -5.085 -6.716 0.861 1.00 35.42 H new ATOM 0 HD13 ILE A 44 -4.132 -5.283 1.314 1.00 35.42 H new ATOM 154 N MET A 45 -9.775 -4.465 2.428 1.00 20.33 N ATOM 155 CA MET A 45 -10.936 -3.645 2.050 1.00 2.12 C ATOM 156 C MET A 45 -11.776 -3.278 3.281 1.00 74.15 C ATOM 157 O MET A 45 -12.389 -2.207 3.334 1.00 23.45 O ATOM 158 CB MET A 45 -11.798 -4.383 1.017 1.00 62.32 C ATOM 159 CG MET A 45 -11.097 -4.652 -0.315 1.00 14.21 C ATOM 160 SD MET A 45 -10.809 -3.156 -1.296 1.00 73.22 S ATOM 161 CE MET A 45 -9.254 -2.547 -0.637 1.00 73.31 C ATOM 0 H MET A 45 -9.763 -5.395 2.010 1.00 20.33 H new ATOM 0 HA MET A 45 -10.567 -2.721 1.604 1.00 2.12 H new ATOM 0 HB2 MET A 45 -12.119 -5.334 1.443 1.00 62.32 H new ATOM 0 HB3 MET A 45 -12.698 -3.798 0.828 1.00 62.32 H new ATOM 0 HG2 MET A 45 -10.141 -5.139 -0.122 1.00 14.21 H new ATOM 0 HG3 MET A 45 -11.698 -5.349 -0.898 1.00 14.21 H new ATOM 0 HE1 MET A 45 -8.649 -2.142 -1.448 1.00 73.31 H new ATOM 0 HE2 MET A 45 -9.451 -1.764 0.095 1.00 73.31 H new ATOM 0 HE3 MET A 45 -8.717 -3.365 -0.157 1.00 73.31 H new ATOM 171 N ASP A 46 -11.797 -4.178 4.263 1.00 33.50 N ATOM 172 CA ASP A 46 -12.446 -3.916 5.548 1.00 13.43 C ATOM 173 C ASP A 46 -11.806 -2.703 6.245 1.00 71.22 C ATOM 174 O ASP A 46 -12.494 -1.754 6.628 1.00 3.24 O ATOM 175 CB ASP A 46 -12.339 -5.161 6.438 1.00 23.40 C ATOM 176 CG ASP A 46 -12.894 -4.942 7.834 1.00 73.21 C ATOM 177 OD1 ASP A 46 -14.107 -5.153 8.038 1.00 4.32 O ATOM 178 OD2 ASP A 46 -12.118 -4.563 8.738 1.00 34.22 O ATOM 0 H ASP A 46 -11.369 -5.101 4.193 1.00 33.50 H new ATOM 0 HA ASP A 46 -13.497 -3.687 5.373 1.00 13.43 H new ATOM 0 HB2 ASP A 46 -12.873 -5.985 5.966 1.00 23.40 H new ATOM 0 HB3 ASP A 46 -11.293 -5.459 6.511 1.00 23.40 H new ATOM 183 N GLN A 47 -10.482 -2.745 6.393 1.00 61.32 N ATOM 184 CA GLN A 47 -9.736 -1.663 7.051 1.00 64.40 C ATOM 185 C GLN A 47 -9.810 -0.349 6.252 1.00 33.12 C ATOM 186 O GLN A 47 -9.879 0.738 6.830 1.00 72.00 O ATOM 187 CB GLN A 47 -8.269 -2.080 7.253 1.00 63.02 C ATOM 188 CG GLN A 47 -7.455 -1.098 8.087 1.00 10.25 C ATOM 189 CD GLN A 47 -8.053 -0.847 9.460 1.00 0.11 C ATOM 190 OE1 GLN A 47 -8.709 -1.706 10.044 1.00 21.40 O ATOM 191 NE2 GLN A 47 -7.837 0.337 9.986 1.00 62.01 N ATOM 0 H GLN A 47 -9.900 -3.516 6.067 1.00 61.32 H new ATOM 0 HA GLN A 47 -10.198 -1.484 8.022 1.00 64.40 H new ATOM 0 HB2 GLN A 47 -8.243 -3.058 7.734 1.00 63.02 H new ATOM 0 HB3 GLN A 47 -7.796 -2.192 6.277 1.00 63.02 H new ATOM 0 HG2 GLN A 47 -6.441 -1.482 8.203 1.00 10.25 H new ATOM 0 HG3 GLN A 47 -7.378 -0.152 7.552 1.00 10.25 H new ATOM 0 HE21 GLN A 47 -7.288 1.029 9.476 1.00 62.01 H new ATOM 0 HE22 GLN A 47 -8.218 0.564 10.904 1.00 62.01 H new ATOM 200 N TYR A 48 -9.801 -0.456 4.923 1.00 30.40 N ATOM 201 CA TYR A 48 -9.920 0.718 4.048 1.00 42.22 C ATOM 202 C TYR A 48 -11.184 1.531 4.374 1.00 24.42 C ATOM 203 O TYR A 48 -11.156 2.763 4.393 1.00 53.30 O ATOM 204 CB TYR A 48 -9.934 0.278 2.575 1.00 12.24 C ATOM 205 CG TYR A 48 -10.119 1.415 1.579 1.00 54.41 C ATOM 206 CD1 TYR A 48 -9.275 2.521 1.589 1.00 63.54 C ATOM 207 CD2 TYR A 48 -11.127 1.372 0.620 1.00 51.45 C ATOM 208 CE1 TYR A 48 -9.432 3.548 0.677 1.00 61.40 C ATOM 209 CE2 TYR A 48 -11.291 2.396 -0.292 1.00 52.33 C ATOM 210 CZ TYR A 48 -10.440 3.482 -0.261 1.00 2.30 C ATOM 211 OH TYR A 48 -10.591 4.502 -1.173 1.00 21.21 O ATOM 0 H TYR A 48 -9.713 -1.342 4.426 1.00 30.40 H new ATOM 0 HA TYR A 48 -9.056 1.359 4.221 1.00 42.22 H new ATOM 0 HB2 TYR A 48 -8.998 -0.234 2.353 1.00 12.24 H new ATOM 0 HB3 TYR A 48 -10.736 -0.447 2.433 1.00 12.24 H new ATOM 0 HD1 TYR A 48 -8.484 2.578 2.322 1.00 63.54 H new ATOM 0 HD2 TYR A 48 -11.793 0.522 0.589 1.00 51.45 H new ATOM 0 HE1 TYR A 48 -8.767 4.399 0.699 1.00 61.40 H new ATOM 0 HE2 TYR A 48 -12.082 2.347 -1.026 1.00 52.33 H new ATOM 0 HH TYR A 48 -11.346 4.302 -1.765 1.00 21.21 H new ATOM 221 N ALA A 49 -12.280 0.831 4.660 1.00 34.43 N ATOM 222 CA ALA A 49 -13.560 1.475 4.986 1.00 54.40 C ATOM 223 C ALA A 49 -13.460 2.392 6.221 1.00 50.42 C ATOM 224 O ALA A 49 -14.312 3.259 6.433 1.00 12.12 O ATOM 225 CB ALA A 49 -14.634 0.412 5.203 1.00 71.13 C ATOM 0 H ALA A 49 -12.311 -0.188 4.674 1.00 34.43 H new ATOM 0 HA ALA A 49 -13.832 2.107 4.141 1.00 54.40 H new ATOM 0 HB1 ALA A 49 -15.581 0.895 5.444 1.00 71.13 H new ATOM 0 HB2 ALA A 49 -14.750 -0.179 4.295 1.00 71.13 H new ATOM 0 HB3 ALA A 49 -14.340 -0.240 6.025 1.00 71.13 H new ATOM 231 N ASP A 50 -12.414 2.199 7.025 1.00 55.33 N ATOM 232 CA ASP A 50 -12.195 2.989 8.245 1.00 45.25 C ATOM 233 C ASP A 50 -11.302 4.219 7.978 1.00 1.41 C ATOM 234 O ASP A 50 -11.334 5.202 8.722 1.00 51.11 O ATOM 235 CB ASP A 50 -11.554 2.087 9.305 1.00 71.44 C ATOM 236 CG ASP A 50 -11.416 2.764 10.658 1.00 54.34 C ATOM 237 OD1 ASP A 50 -12.449 3.007 11.316 1.00 44.21 O ATOM 238 OD2 ASP A 50 -10.279 3.052 11.079 1.00 54.40 O ATOM 0 H ASP A 50 -11.696 1.495 6.853 1.00 55.33 H new ATOM 0 HA ASP A 50 -13.156 3.362 8.598 1.00 45.25 H new ATOM 0 HB2 ASP A 50 -12.154 1.184 9.417 1.00 71.44 H new ATOM 0 HB3 ASP A 50 -10.569 1.774 8.960 1.00 71.44 H new ATOM 243 N TRP A 51 -10.509 4.150 6.908 1.00 54.34 N ATOM 244 CA TRP A 51 -9.539 5.210 6.575 1.00 55.24 C ATOM 245 C TRP A 51 -9.885 5.958 5.269 1.00 4.41 C ATOM 246 O TRP A 51 -9.060 6.712 4.742 1.00 61.21 O ATOM 247 CB TRP A 51 -8.129 4.608 6.469 1.00 65.32 C ATOM 248 CG TRP A 51 -7.543 4.206 7.793 1.00 72.14 C ATOM 249 CD1 TRP A 51 -7.969 3.203 8.617 1.00 53.32 C ATOM 250 CD2 TRP A 51 -6.412 4.801 8.439 1.00 60.33 C ATOM 251 NE1 TRP A 51 -7.177 3.149 9.739 1.00 13.40 N ATOM 252 CE2 TRP A 51 -6.216 4.117 9.651 1.00 4.34 C ATOM 253 CE3 TRP A 51 -5.548 5.850 8.110 1.00 11.21 C ATOM 254 CZ2 TRP A 51 -5.189 4.442 10.531 1.00 5.44 C ATOM 255 CZ3 TRP A 51 -4.533 6.173 8.988 1.00 50.43 C ATOM 256 CH2 TRP A 51 -4.361 5.471 10.185 1.00 22.24 C ATOM 0 H TRP A 51 -10.515 3.370 6.251 1.00 54.34 H new ATOM 0 HA TRP A 51 -9.581 5.943 7.381 1.00 55.24 H new ATOM 0 HB2 TRP A 51 -8.164 3.735 5.817 1.00 65.32 H new ATOM 0 HB3 TRP A 51 -7.468 5.334 5.995 1.00 65.32 H new ATOM 0 HD1 TRP A 51 -8.805 2.549 8.416 1.00 53.32 H new ATOM 0 HE1 TRP A 51 -7.288 2.493 10.512 1.00 13.40 H new ATOM 0 HE3 TRP A 51 -5.672 6.397 7.187 1.00 11.21 H new ATOM 0 HZ2 TRP A 51 -5.051 3.900 11.455 1.00 5.44 H new ATOM 0 HZ3 TRP A 51 -3.860 6.982 8.746 1.00 50.43 H new ATOM 0 HH2 TRP A 51 -3.556 5.749 10.850 1.00 22.24 H new ATOM 267 N LYS A 52 -11.099 5.772 4.752 1.00 23.20 N ATOM 268 CA LYS A 52 -11.516 6.450 3.511 1.00 2.32 C ATOM 269 C LYS A 52 -11.554 7.981 3.674 1.00 3.04 C ATOM 270 O LYS A 52 -12.453 8.534 4.312 1.00 14.01 O ATOM 271 CB LYS A 52 -12.890 5.943 3.036 1.00 50.11 C ATOM 272 CG LYS A 52 -12.873 4.501 2.532 1.00 21.03 C ATOM 273 CD LYS A 52 -14.232 4.056 1.992 1.00 0.21 C ATOM 274 CE LYS A 52 -15.319 4.118 3.056 1.00 31.53 C ATOM 275 NZ LYS A 52 -16.612 3.570 2.566 1.00 12.03 N ATOM 0 H LYS A 52 -11.809 5.166 5.163 1.00 23.20 H new ATOM 0 HA LYS A 52 -10.767 6.208 2.757 1.00 2.32 H new ATOM 0 HB2 LYS A 52 -13.601 6.022 3.859 1.00 50.11 H new ATOM 0 HB3 LYS A 52 -13.251 6.593 2.239 1.00 50.11 H new ATOM 0 HG2 LYS A 52 -12.123 4.402 1.747 1.00 21.03 H new ATOM 0 HG3 LYS A 52 -12.573 3.839 3.344 1.00 21.03 H new ATOM 0 HD2 LYS A 52 -14.512 4.690 1.151 1.00 0.21 H new ATOM 0 HD3 LYS A 52 -14.155 3.037 1.612 1.00 0.21 H new ATOM 0 HE2 LYS A 52 -14.998 3.559 3.935 1.00 31.53 H new ATOM 0 HE3 LYS A 52 -15.460 5.152 3.370 1.00 31.53 H new ATOM 0 HZ1 LYS A 52 -17.324 3.631 3.322 1.00 12.03 H new ATOM 0 HZ2 LYS A 52 -16.932 4.119 1.743 1.00 12.03 H new ATOM 0 HZ3 LYS A 52 -16.485 2.575 2.290 1.00 12.03 H new ATOM 289 N GLY A 53 -10.564 8.664 3.099 1.00 4.34 N ATOM 290 CA GLY A 53 -10.554 10.128 3.110 1.00 43.20 C ATOM 291 C GLY A 53 -9.509 10.744 4.037 1.00 71.41 C ATOM 292 O GLY A 53 -9.626 11.911 4.415 1.00 11.55 O ATOM 0 H GLY A 53 -9.769 8.235 2.626 1.00 4.34 H new ATOM 0 HA2 GLY A 53 -10.378 10.486 2.096 1.00 43.20 H new ATOM 0 HA3 GLY A 53 -11.541 10.484 3.407 1.00 43.20 H new ATOM 296 N VAL A 54 -8.492 9.976 4.416 1.00 24.33 N ATOM 297 CA VAL A 54 -7.375 10.514 5.206 1.00 12.13 C ATOM 298 C VAL A 54 -6.313 11.147 4.288 1.00 20.41 C ATOM 299 O VAL A 54 -5.887 10.536 3.305 1.00 20.44 O ATOM 300 CB VAL A 54 -6.716 9.418 6.082 1.00 4.21 C ATOM 301 CG1 VAL A 54 -5.562 9.995 6.903 1.00 24.45 C ATOM 302 CG2 VAL A 54 -7.753 8.754 6.990 1.00 51.12 C ATOM 0 H VAL A 54 -8.413 8.984 4.193 1.00 24.33 H new ATOM 0 HA VAL A 54 -7.786 11.280 5.864 1.00 12.13 H new ATOM 0 HB VAL A 54 -6.307 8.655 5.419 1.00 4.21 H new ATOM 0 HG11 VAL A 54 -5.116 9.206 7.509 1.00 24.45 H new ATOM 0 HG12 VAL A 54 -4.808 10.407 6.232 1.00 24.45 H new ATOM 0 HG13 VAL A 54 -5.938 10.784 7.554 1.00 24.45 H new ATOM 0 HG21 VAL A 54 -7.269 7.988 7.596 1.00 51.12 H new ATOM 0 HG22 VAL A 54 -8.199 9.505 7.642 1.00 51.12 H new ATOM 0 HG23 VAL A 54 -8.531 8.296 6.379 1.00 51.12 H new ATOM 312 N ARG A 55 -5.896 12.377 4.600 1.00 15.04 N ATOM 313 CA ARG A 55 -4.919 13.092 3.764 1.00 64.43 C ATOM 314 C ARG A 55 -3.474 12.628 4.023 1.00 13.25 C ATOM 315 O ARG A 55 -3.176 12.007 5.048 1.00 42.24 O ATOM 316 CB ARG A 55 -5.032 14.609 3.968 1.00 72.40 C ATOM 317 CG ARG A 55 -4.744 15.083 5.392 1.00 12.41 C ATOM 318 CD ARG A 55 -4.728 16.606 5.474 1.00 73.25 C ATOM 319 NE ARG A 55 -4.544 17.095 6.840 1.00 14.01 N ATOM 320 CZ ARG A 55 -3.705 18.042 7.170 1.00 44.04 C ATOM 321 NH1 ARG A 55 -2.867 18.518 6.302 1.00 72.15 N ATOM 322 NH2 ARG A 55 -3.677 18.493 8.379 1.00 2.51 N ATOM 0 H ARG A 55 -6.214 12.898 5.417 1.00 15.04 H new ATOM 0 HA ARG A 55 -5.158 12.852 2.728 1.00 64.43 H new ATOM 0 HB2 ARG A 55 -4.341 15.106 3.287 1.00 72.40 H new ATOM 0 HB3 ARG A 55 -6.037 14.926 3.690 1.00 72.40 H new ATOM 0 HG2 ARG A 55 -5.501 14.688 6.070 1.00 12.41 H new ATOM 0 HG3 ARG A 55 -3.783 14.688 5.722 1.00 12.41 H new ATOM 0 HD2 ARG A 55 -3.927 16.991 4.843 1.00 73.25 H new ATOM 0 HD3 ARG A 55 -5.664 16.997 5.075 1.00 73.25 H new ATOM 0 HE ARG A 55 -5.104 16.672 7.580 1.00 14.01 H new ATOM 0 HH11 ARG A 55 -2.857 18.154 5.349 1.00 72.15 H new ATOM 0 HH12 ARG A 55 -2.218 19.257 6.572 1.00 72.15 H new ATOM 0 HH21 ARG A 55 -4.311 18.111 9.081 1.00 2.51 H new ATOM 0 HH22 ARG A 55 -3.021 19.232 8.633 1.00 2.51 H new ATOM 336 N TYR A 56 -2.578 12.955 3.095 1.00 61.11 N ATOM 337 CA TYR A 56 -1.191 12.478 3.140 1.00 12.53 C ATOM 338 C TYR A 56 -0.317 13.315 4.094 1.00 35.45 C ATOM 339 O TYR A 56 -0.232 14.541 3.973 1.00 14.10 O ATOM 340 CB TYR A 56 -0.594 12.500 1.727 1.00 74.50 C ATOM 341 CG TYR A 56 0.771 11.842 1.613 1.00 41.11 C ATOM 342 CD1 TYR A 56 0.885 10.468 1.423 1.00 23.20 C ATOM 343 CD2 TYR A 56 1.942 12.589 1.687 1.00 71.22 C ATOM 344 CE1 TYR A 56 2.120 9.861 1.313 1.00 34.25 C ATOM 345 CE2 TYR A 56 3.180 11.986 1.577 1.00 13.30 C ATOM 346 CZ TYR A 56 3.263 10.623 1.390 1.00 54.10 C ATOM 347 OH TYR A 56 4.499 10.023 1.281 1.00 51.15 O ATOM 0 H TYR A 56 -2.787 13.553 2.295 1.00 61.11 H new ATOM 0 HA TYR A 56 -1.204 11.458 3.524 1.00 12.53 H new ATOM 0 HB2 TYR A 56 -1.283 12.000 1.047 1.00 74.50 H new ATOM 0 HB3 TYR A 56 -0.514 13.535 1.395 1.00 74.50 H new ATOM 0 HD1 TYR A 56 -0.009 9.866 1.360 1.00 23.20 H new ATOM 0 HD2 TYR A 56 1.882 13.657 1.833 1.00 71.22 H new ATOM 0 HE1 TYR A 56 2.189 8.793 1.167 1.00 34.25 H new ATOM 0 HE2 TYR A 56 4.080 12.580 1.637 1.00 13.30 H new ATOM 0 HH TYR A 56 5.201 10.703 1.356 1.00 51.15 H new ATOM 357 N ARG A 57 0.330 12.633 5.034 1.00 1.35 N ATOM 358 CA ARG A 57 1.266 13.260 5.980 1.00 54.31 C ATOM 359 C ARG A 57 2.521 12.388 6.144 1.00 71.34 C ATOM 360 O ARG A 57 2.457 11.307 6.725 1.00 74.40 O ATOM 361 CB ARG A 57 0.588 13.460 7.342 1.00 51.14 C ATOM 362 CG ARG A 57 1.506 14.030 8.423 1.00 14.21 C ATOM 363 CD ARG A 57 0.825 14.057 9.790 1.00 74.23 C ATOM 364 NE ARG A 57 1.725 14.540 10.840 1.00 42.45 N ATOM 365 CZ ARG A 57 1.683 14.154 12.087 1.00 51.41 C ATOM 366 NH1 ARG A 57 0.826 13.268 12.485 1.00 45.11 N ATOM 367 NH2 ARG A 57 2.517 14.650 12.939 1.00 75.24 N ATOM 0 H ARG A 57 0.224 11.627 5.167 1.00 1.35 H new ATOM 0 HA ARG A 57 1.561 14.232 5.584 1.00 54.31 H new ATOM 0 HB2 ARG A 57 -0.264 14.128 7.216 1.00 51.14 H new ATOM 0 HB3 ARG A 57 0.195 12.502 7.683 1.00 51.14 H new ATOM 0 HG2 ARG A 57 2.414 13.430 8.481 1.00 14.21 H new ATOM 0 HG3 ARG A 57 1.808 15.040 8.147 1.00 14.21 H new ATOM 0 HD2 ARG A 57 -0.056 14.698 9.744 1.00 74.23 H new ATOM 0 HD3 ARG A 57 0.478 13.055 10.042 1.00 74.23 H new ATOM 0 HE ARG A 57 2.434 15.225 10.579 1.00 42.45 H new ATOM 0 HH11 ARG A 57 0.169 12.859 11.820 1.00 45.11 H new ATOM 0 HH12 ARG A 57 0.808 12.979 13.463 1.00 45.11 H new ATOM 0 HH21 ARG A 57 3.205 15.340 12.637 1.00 75.24 H new ATOM 0 HH22 ARG A 57 2.488 14.352 13.914 1.00 75.24 H new ATOM 381 N LEU A 58 3.663 12.868 5.656 1.00 41.54 N ATOM 382 CA LEU A 58 4.892 12.058 5.638 1.00 34.35 C ATOM 383 C LEU A 58 5.751 12.287 6.890 1.00 25.31 C ATOM 384 O LEU A 58 6.311 13.365 7.094 1.00 44.31 O ATOM 385 CB LEU A 58 5.723 12.304 4.358 1.00 3.23 C ATOM 386 CG LEU A 58 6.184 13.754 4.084 1.00 72.22 C ATOM 387 CD1 LEU A 58 7.478 13.758 3.270 1.00 41.24 C ATOM 388 CD2 LEU A 58 5.107 14.548 3.343 1.00 12.05 C ATOM 0 H LEU A 58 3.769 13.806 5.269 1.00 41.54 H new ATOM 0 HA LEU A 58 4.574 11.015 5.639 1.00 34.35 H new ATOM 0 HB2 LEU A 58 6.609 11.671 4.403 1.00 3.23 H new ATOM 0 HB3 LEU A 58 5.135 11.969 3.504 1.00 3.23 H new ATOM 0 HG LEU A 58 6.363 14.231 5.047 1.00 72.22 H new ATOM 0 HD11 LEU A 58 7.789 14.786 3.086 1.00 41.24 H new ATOM 0 HD12 LEU A 58 8.258 13.237 3.825 1.00 41.24 H new ATOM 0 HD13 LEU A 58 7.311 13.254 2.318 1.00 41.24 H new ATOM 0 HD21 LEU A 58 5.461 15.563 3.165 1.00 12.05 H new ATOM 0 HD22 LEU A 58 4.892 14.066 2.389 1.00 12.05 H new ATOM 0 HD23 LEU A 58 4.200 14.581 3.946 1.00 12.05 H new ATOM 400 N GLY A 59 5.861 11.247 7.718 1.00 13.43 N ATOM 401 CA GLY A 59 6.653 11.328 8.943 1.00 1.45 C ATOM 402 C GLY A 59 5.808 11.269 10.212 1.00 21.43 C ATOM 403 O GLY A 59 6.343 11.190 11.320 1.00 52.32 O ATOM 0 H GLY A 59 5.414 10.344 7.563 1.00 13.43 H new ATOM 0 HA2 GLY A 59 7.374 10.510 8.956 1.00 1.45 H new ATOM 0 HA3 GLY A 59 7.224 12.256 8.938 1.00 1.45 H new ATOM 407 N GLY A 60 4.490 11.305 10.049 1.00 45.21 N ATOM 408 CA GLY A 60 3.580 11.256 11.189 1.00 0.33 C ATOM 409 C GLY A 60 2.356 10.388 10.916 1.00 44.21 C ATOM 410 O GLY A 60 1.496 10.750 10.116 1.00 4.20 O ATOM 0 H GLY A 60 4.028 11.368 9.142 1.00 45.21 H new ATOM 0 HA2 GLY A 60 4.111 10.868 12.058 1.00 0.33 H new ATOM 0 HA3 GLY A 60 3.257 12.267 11.437 1.00 0.33 H new ATOM 414 N SER A 61 2.270 9.244 11.589 1.00 13.32 N ATOM 415 CA SER A 61 1.197 8.270 11.336 1.00 22.51 C ATOM 416 C SER A 61 -0.019 8.484 12.247 1.00 2.00 C ATOM 417 O SER A 61 0.011 8.139 13.428 1.00 63.21 O ATOM 418 CB SER A 61 1.717 6.838 11.515 1.00 61.11 C ATOM 419 OG SER A 61 2.791 6.554 10.631 1.00 45.34 O ATOM 0 H SER A 61 2.928 8.963 12.316 1.00 13.32 H new ATOM 0 HA SER A 61 0.875 8.424 10.306 1.00 22.51 H new ATOM 0 HB2 SER A 61 2.046 6.697 12.544 1.00 61.11 H new ATOM 0 HB3 SER A 61 0.905 6.132 11.340 1.00 61.11 H new ATOM 0 HG SER A 61 3.098 5.634 10.774 1.00 45.34 H new ATOM 425 N THR A 62 -1.090 9.053 11.691 1.00 73.20 N ATOM 426 CA THR A 62 -2.360 9.216 12.417 1.00 64.22 C ATOM 427 C THR A 62 -3.554 9.223 11.453 1.00 11.02 C ATOM 428 O THR A 62 -3.404 9.523 10.268 1.00 34.22 O ATOM 429 CB THR A 62 -2.391 10.517 13.260 1.00 21.45 C ATOM 430 OG1 THR A 62 -3.705 10.729 13.799 1.00 11.40 O ATOM 431 CG2 THR A 62 -1.980 11.726 12.426 1.00 3.34 C ATOM 0 H THR A 62 -1.107 9.412 10.736 1.00 73.20 H new ATOM 0 HA THR A 62 -2.435 8.362 13.090 1.00 64.22 H new ATOM 0 HB THR A 62 -1.677 10.401 14.076 1.00 21.45 H new ATOM 0 HG1 THR A 62 -3.712 11.552 14.331 1.00 11.40 H new ATOM 0 HG21 THR A 62 -2.012 12.623 13.045 1.00 3.34 H new ATOM 0 HG22 THR A 62 -0.968 11.581 12.049 1.00 3.34 H new ATOM 0 HG23 THR A 62 -2.667 11.840 11.587 1.00 3.34 H new ATOM 439 N LYS A 63 -4.742 8.896 11.962 1.00 72.12 N ATOM 440 CA LYS A 63 -5.956 8.884 11.135 1.00 33.10 C ATOM 441 C LYS A 63 -6.325 10.293 10.647 1.00 52.41 C ATOM 442 O LYS A 63 -7.123 10.457 9.725 1.00 42.21 O ATOM 443 CB LYS A 63 -7.138 8.280 11.906 1.00 73.32 C ATOM 444 CG LYS A 63 -6.926 6.824 12.321 1.00 62.13 C ATOM 445 CD LYS A 63 -8.224 6.169 12.787 1.00 1.30 C ATOM 446 CE LYS A 63 -9.264 6.122 11.669 1.00 41.11 C ATOM 447 NZ LYS A 63 -10.535 5.494 12.112 1.00 23.31 N ATOM 0 H LYS A 63 -4.893 8.637 12.937 1.00 72.12 H new ATOM 0 HA LYS A 63 -5.742 8.264 10.264 1.00 33.10 H new ATOM 0 HB2 LYS A 63 -7.322 8.879 12.798 1.00 73.32 H new ATOM 0 HB3 LYS A 63 -8.034 8.345 11.288 1.00 73.32 H new ATOM 0 HG2 LYS A 63 -6.518 6.263 11.480 1.00 62.13 H new ATOM 0 HG3 LYS A 63 -6.189 6.779 13.122 1.00 62.13 H new ATOM 0 HD2 LYS A 63 -8.017 5.157 13.135 1.00 1.30 H new ATOM 0 HD3 LYS A 63 -8.627 6.722 13.636 1.00 1.30 H new ATOM 0 HE2 LYS A 63 -9.464 7.134 11.318 1.00 41.11 H new ATOM 0 HE3 LYS A 63 -8.861 5.565 10.823 1.00 41.11 H new ATOM 0 HZ1 LYS A 63 -11.297 5.748 11.451 1.00 23.31 H new ATOM 0 HZ2 LYS A 63 -10.423 4.460 12.131 1.00 23.31 H new ATOM 0 HZ3 LYS A 63 -10.776 5.833 13.065 1.00 23.31 H new ATOM 461 N LYS A 64 -5.739 11.308 11.275 1.00 21.20 N ATOM 462 CA LYS A 64 -5.975 12.705 10.888 1.00 10.35 C ATOM 463 C LYS A 64 -4.923 13.181 9.867 1.00 24.11 C ATOM 464 O LYS A 64 -4.820 14.374 9.568 1.00 71.10 O ATOM 465 CB LYS A 64 -5.958 13.614 12.133 1.00 52.14 C ATOM 466 CG LYS A 64 -7.075 13.330 13.142 1.00 52.21 C ATOM 467 CD LYS A 64 -6.882 12.000 13.878 1.00 44.52 C ATOM 468 CE LYS A 64 -8.014 11.720 14.863 1.00 3.04 C ATOM 469 NZ LYS A 64 -8.095 12.751 15.932 1.00 10.55 N ATOM 0 H LYS A 64 -5.094 11.194 12.057 1.00 21.20 H new ATOM 0 HA LYS A 64 -6.957 12.766 10.418 1.00 10.35 H new ATOM 0 HB2 LYS A 64 -4.996 13.504 12.634 1.00 52.14 H new ATOM 0 HB3 LYS A 64 -6.033 14.652 11.810 1.00 52.14 H new ATOM 0 HG2 LYS A 64 -7.117 14.141 13.870 1.00 52.21 H new ATOM 0 HG3 LYS A 64 -8.033 13.318 12.623 1.00 52.21 H new ATOM 0 HD2 LYS A 64 -6.825 11.189 13.152 1.00 44.52 H new ATOM 0 HD3 LYS A 64 -5.932 12.016 14.413 1.00 44.52 H new ATOM 0 HE2 LYS A 64 -8.961 11.682 14.325 1.00 3.04 H new ATOM 0 HE3 LYS A 64 -7.865 10.740 15.316 1.00 3.04 H new ATOM 0 HZ1 LYS A 64 -8.759 12.436 16.668 1.00 10.55 H new ATOM 0 HZ2 LYS A 64 -7.154 12.891 16.352 1.00 10.55 H new ATOM 0 HZ3 LYS A 64 -8.429 13.648 15.525 1.00 10.55 H new ATOM 483 N GLY A 65 -4.149 12.234 9.339 1.00 51.34 N ATOM 484 CA GLY A 65 -3.093 12.544 8.380 1.00 1.04 C ATOM 485 C GLY A 65 -1.965 11.518 8.430 1.00 14.44 C ATOM 486 O GLY A 65 -1.284 11.391 9.449 1.00 50.22 O ATOM 0 H GLY A 65 -4.235 11.242 9.561 1.00 51.34 H new ATOM 0 HA2 GLY A 65 -3.512 12.575 7.374 1.00 1.04 H new ATOM 0 HA3 GLY A 65 -2.692 13.536 8.589 1.00 1.04 H new ATOM 490 N ILE A 66 -1.756 10.788 7.337 1.00 4.14 N ATOM 491 CA ILE A 66 -0.785 9.684 7.334 1.00 52.35 C ATOM 492 C ILE A 66 -0.162 9.471 5.941 1.00 5.24 C ATOM 493 O ILE A 66 -0.774 9.791 4.921 1.00 21.51 O ATOM 494 CB ILE A 66 -1.472 8.375 7.807 1.00 43.24 C ATOM 495 CG1 ILE A 66 -0.437 7.287 8.124 1.00 22.34 C ATOM 496 CG2 ILE A 66 -2.469 7.881 6.758 1.00 53.22 C ATOM 497 CD1 ILE A 66 -1.023 6.099 8.860 1.00 43.03 C ATOM 0 H ILE A 66 -2.237 10.934 6.449 1.00 4.14 H new ATOM 0 HA ILE A 66 0.019 9.949 8.021 1.00 52.35 H new ATOM 0 HB ILE A 66 -2.016 8.596 8.725 1.00 43.24 H new ATOM 0 HG12 ILE A 66 0.015 6.943 7.194 1.00 22.34 H new ATOM 0 HG13 ILE A 66 0.363 7.720 8.725 1.00 22.34 H new ATOM 0 HG21 ILE A 66 -2.940 6.963 7.108 1.00 53.22 H new ATOM 0 HG22 ILE A 66 -3.233 8.641 6.595 1.00 53.22 H new ATOM 0 HG23 ILE A 66 -1.946 7.686 5.822 1.00 53.22 H new ATOM 0 HD11 ILE A 66 -0.238 5.367 9.053 1.00 43.03 H new ATOM 0 HD12 ILE A 66 -1.450 6.432 9.806 1.00 43.03 H new ATOM 0 HD13 ILE A 66 -1.803 5.642 8.251 1.00 43.03 H new ATOM 509 N ASP A 67 1.068 8.958 5.899 1.00 35.51 N ATOM 510 CA ASP A 67 1.731 8.650 4.626 1.00 42.23 C ATOM 511 C ASP A 67 1.466 7.206 4.171 1.00 41.31 C ATOM 512 O ASP A 67 0.803 6.427 4.863 1.00 61.44 O ATOM 513 CB ASP A 67 3.239 8.912 4.724 1.00 71.24 C ATOM 514 CG ASP A 67 3.900 8.172 5.876 1.00 24.11 C ATOM 515 OD1 ASP A 67 4.216 6.978 5.712 1.00 24.22 O ATOM 516 OD2 ASP A 67 4.117 8.786 6.941 1.00 64.15 O ATOM 0 H ASP A 67 1.626 8.747 6.727 1.00 35.51 H new ATOM 0 HA ASP A 67 1.305 9.313 3.873 1.00 42.23 H new ATOM 0 HB2 ASP A 67 3.715 8.615 3.789 1.00 71.24 H new ATOM 0 HB3 ASP A 67 3.409 9.982 4.843 1.00 71.24 H new ATOM 521 N CYS A 68 1.989 6.856 2.995 1.00 62.24 N ATOM 522 CA CYS A 68 1.776 5.524 2.413 1.00 33.53 C ATOM 523 C CYS A 68 2.340 4.416 3.309 1.00 72.24 C ATOM 524 O CYS A 68 1.684 3.395 3.523 1.00 44.22 O ATOM 525 CB CYS A 68 2.405 5.444 1.016 1.00 61.12 C ATOM 526 SG CYS A 68 4.168 5.848 0.964 1.00 15.40 S ATOM 0 H CYS A 68 2.564 7.475 2.424 1.00 62.24 H new ATOM 0 HA CYS A 68 0.700 5.371 2.331 1.00 33.53 H new ATOM 0 HB2 CYS A 68 2.264 4.436 0.625 1.00 61.12 H new ATOM 0 HB3 CYS A 68 1.870 6.122 0.351 1.00 61.12 H new ATOM 0 HG CYS A 68 4.357 6.867 0.179 1.00 15.40 H new ATOM 532 N SER A 69 3.546 4.624 3.837 1.00 14.35 N ATOM 533 CA SER A 69 4.185 3.643 4.728 1.00 62.31 C ATOM 534 C SER A 69 3.349 3.414 5.991 1.00 23.31 C ATOM 535 O SER A 69 3.121 2.275 6.408 1.00 72.33 O ATOM 536 CB SER A 69 5.589 4.104 5.129 1.00 44.01 C ATOM 537 OG SER A 69 6.229 3.150 5.963 1.00 32.13 O ATOM 0 H SER A 69 4.104 5.461 3.666 1.00 14.35 H new ATOM 0 HA SER A 69 4.257 2.705 4.177 1.00 62.31 H new ATOM 0 HB2 SER A 69 6.189 4.268 4.234 1.00 44.01 H new ATOM 0 HB3 SER A 69 5.525 5.060 5.649 1.00 44.01 H new ATOM 0 HG SER A 69 5.903 3.248 6.882 1.00 32.13 H new ATOM 543 N GLY A 70 2.896 4.507 6.598 1.00 61.42 N ATOM 544 CA GLY A 70 2.046 4.414 7.772 1.00 41.54 C ATOM 545 C GLY A 70 0.737 3.676 7.498 1.00 70.43 C ATOM 546 O GLY A 70 0.329 2.814 8.277 1.00 60.13 O ATOM 0 H GLY A 70 3.103 5.459 6.296 1.00 61.42 H new ATOM 0 HA2 GLY A 70 2.587 3.901 8.567 1.00 41.54 H new ATOM 0 HA3 GLY A 70 1.823 5.418 8.134 1.00 41.54 H new ATOM 550 N PHE A 71 0.077 4.014 6.389 1.00 52.53 N ATOM 551 CA PHE A 71 -1.210 3.399 6.029 1.00 63.44 C ATOM 552 C PHE A 71 -1.093 1.871 5.873 1.00 50.24 C ATOM 553 O PHE A 71 -1.846 1.112 6.493 1.00 54.15 O ATOM 554 CB PHE A 71 -1.756 4.018 4.734 1.00 53.23 C ATOM 555 CG PHE A 71 -3.037 3.381 4.251 1.00 30.01 C ATOM 556 CD1 PHE A 71 -4.228 3.572 4.942 1.00 62.13 C ATOM 557 CD2 PHE A 71 -3.051 2.580 3.116 1.00 42.32 C ATOM 558 CE1 PHE A 71 -5.401 2.982 4.509 1.00 2.12 C ATOM 559 CE2 PHE A 71 -4.222 1.989 2.680 1.00 13.13 C ATOM 560 CZ PHE A 71 -5.397 2.191 3.378 1.00 3.20 C ATOM 0 H PHE A 71 0.409 4.710 5.722 1.00 52.53 H new ATOM 0 HA PHE A 71 -1.904 3.598 6.845 1.00 63.44 H new ATOM 0 HB2 PHE A 71 -1.928 5.082 4.895 1.00 53.23 H new ATOM 0 HB3 PHE A 71 -1.000 3.931 3.953 1.00 53.23 H new ATOM 0 HD1 PHE A 71 -4.237 4.189 5.828 1.00 62.13 H new ATOM 0 HD2 PHE A 71 -2.135 2.417 2.567 1.00 42.32 H new ATOM 0 HE1 PHE A 71 -6.319 3.140 5.055 1.00 2.12 H new ATOM 0 HE2 PHE A 71 -4.218 1.370 1.795 1.00 13.13 H new ATOM 0 HZ PHE A 71 -6.313 1.730 3.039 1.00 3.20 H new ATOM 570 N VAL A 72 -0.154 1.424 5.039 1.00 34.14 N ATOM 571 CA VAL A 72 0.069 -0.014 4.833 1.00 24.24 C ATOM 572 C VAL A 72 0.445 -0.702 6.160 1.00 61.12 C ATOM 573 O VAL A 72 -0.035 -1.796 6.465 1.00 33.20 O ATOM 574 CB VAL A 72 1.161 -0.271 3.755 1.00 41.12 C ATOM 575 CG1 VAL A 72 2.472 0.415 4.116 1.00 12.24 C ATOM 576 CG2 VAL A 72 1.379 -1.766 3.534 1.00 64.31 C ATOM 0 H VAL A 72 0.463 2.029 4.497 1.00 34.14 H new ATOM 0 HA VAL A 72 -0.864 -0.445 4.471 1.00 24.24 H new ATOM 0 HB VAL A 72 0.802 0.161 2.821 1.00 41.12 H new ATOM 0 HG11 VAL A 72 3.213 0.215 3.342 1.00 12.24 H new ATOM 0 HG12 VAL A 72 2.311 1.490 4.194 1.00 12.24 H new ATOM 0 HG13 VAL A 72 2.832 0.032 5.071 1.00 12.24 H new ATOM 0 HG21 VAL A 72 2.148 -1.913 2.775 1.00 64.31 H new ATOM 0 HG22 VAL A 72 1.697 -2.229 4.468 1.00 64.31 H new ATOM 0 HG23 VAL A 72 0.448 -2.224 3.201 1.00 64.31 H new ATOM 586 N GLN A 73 1.275 -0.028 6.957 1.00 51.05 N ATOM 587 CA GLN A 73 1.626 -0.496 8.303 1.00 45.34 C ATOM 588 C GLN A 73 0.370 -0.724 9.164 1.00 73.32 C ATOM 589 O GLN A 73 0.215 -1.773 9.789 1.00 11.04 O ATOM 590 CB GLN A 73 2.546 0.533 8.978 1.00 1.41 C ATOM 591 CG GLN A 73 2.771 0.298 10.469 1.00 51.21 C ATOM 592 CD GLN A 73 3.565 1.417 11.124 1.00 43.41 C ATOM 593 OE1 GLN A 73 4.783 1.356 11.239 1.00 63.42 O ATOM 594 NE2 GLN A 73 2.881 2.459 11.550 1.00 11.41 N ATOM 0 H GLN A 73 1.721 0.851 6.693 1.00 51.05 H new ATOM 0 HA GLN A 73 2.144 -1.451 8.211 1.00 45.34 H new ATOM 0 HB2 GLN A 73 3.511 0.526 8.472 1.00 1.41 H new ATOM 0 HB3 GLN A 73 2.121 1.527 8.840 1.00 1.41 H new ATOM 0 HG2 GLN A 73 1.806 0.202 10.968 1.00 51.21 H new ATOM 0 HG3 GLN A 73 3.297 -0.646 10.609 1.00 51.21 H new ATOM 0 HE21 GLN A 73 1.867 2.483 11.441 1.00 11.41 H new ATOM 0 HE22 GLN A 73 3.365 3.242 11.989 1.00 11.41 H new ATOM 603 N ARG A 74 -0.532 0.264 9.177 1.00 32.41 N ATOM 604 CA ARG A 74 -1.754 0.195 9.992 1.00 22.33 C ATOM 605 C ARG A 74 -2.641 -0.996 9.597 1.00 0.44 C ATOM 606 O ARG A 74 -3.071 -1.768 10.449 1.00 52.44 O ATOM 607 CB ARG A 74 -2.562 1.501 9.876 1.00 12.33 C ATOM 608 CG ARG A 74 -1.836 2.735 10.406 1.00 53.03 C ATOM 609 CD ARG A 74 -1.515 2.631 11.895 1.00 53.32 C ATOM 610 NE ARG A 74 -2.716 2.474 12.715 1.00 31.44 N ATOM 611 CZ ARG A 74 -2.786 2.777 13.985 1.00 2.03 C ATOM 612 NH1 ARG A 74 -1.770 3.292 14.606 1.00 33.34 N ATOM 613 NH2 ARG A 74 -3.886 2.579 14.630 1.00 21.55 N ATOM 0 H ARG A 74 -0.440 1.122 8.633 1.00 32.41 H new ATOM 0 HA ARG A 74 -1.438 0.055 11.026 1.00 22.33 H new ATOM 0 HB2 ARG A 74 -2.818 1.665 8.829 1.00 12.33 H new ATOM 0 HB3 ARG A 74 -3.500 1.384 10.419 1.00 12.33 H new ATOM 0 HG2 ARG A 74 -0.911 2.876 9.847 1.00 53.03 H new ATOM 0 HG3 ARG A 74 -2.451 3.617 10.231 1.00 53.03 H new ATOM 0 HD2 ARG A 74 -0.851 1.783 12.062 1.00 53.32 H new ATOM 0 HD3 ARG A 74 -0.977 3.525 12.211 1.00 53.32 H new ATOM 0 HE ARG A 74 -3.554 2.104 12.267 1.00 31.44 H new ATOM 0 HH11 ARG A 74 -0.900 3.466 14.103 1.00 33.34 H new ATOM 0 HH12 ARG A 74 -1.841 3.523 15.597 1.00 33.34 H new ATOM 0 HH21 ARG A 74 -4.696 2.188 14.149 1.00 21.55 H new ATOM 0 HH22 ARG A 74 -3.946 2.814 15.621 1.00 21.55 H new ATOM 627 N THR A 75 -2.896 -1.147 8.304 1.00 12.34 N ATOM 628 CA THR A 75 -3.792 -2.206 7.809 1.00 62.42 C ATOM 629 C THR A 75 -3.318 -3.605 8.229 1.00 53.31 C ATOM 630 O THR A 75 -4.065 -4.373 8.837 1.00 55.11 O ATOM 631 CB THR A 75 -3.933 -2.170 6.266 1.00 24.23 C ATOM 632 OG1 THR A 75 -4.412 -0.885 5.842 1.00 70.03 O ATOM 633 CG2 THR A 75 -4.890 -3.256 5.770 1.00 43.42 C ATOM 0 H THR A 75 -2.500 -0.555 7.573 1.00 12.34 H new ATOM 0 HA THR A 75 -4.763 -2.008 8.263 1.00 62.42 H new ATOM 0 HB THR A 75 -2.947 -2.354 5.839 1.00 24.23 H new ATOM 0 HG1 THR A 75 -3.724 -0.208 6.010 1.00 70.03 H new ATOM 0 HG21 THR A 75 -4.967 -3.204 4.684 1.00 43.42 H new ATOM 0 HG22 THR A 75 -4.511 -4.236 6.061 1.00 43.42 H new ATOM 0 HG23 THR A 75 -5.875 -3.103 6.212 1.00 43.42 H new ATOM 641 N PHE A 76 -2.070 -3.933 7.916 1.00 61.54 N ATOM 642 CA PHE A 76 -1.535 -5.260 8.224 1.00 33.01 C ATOM 643 C PHE A 76 -1.467 -5.531 9.739 1.00 23.31 C ATOM 644 O PHE A 76 -1.675 -6.666 10.176 1.00 12.52 O ATOM 645 CB PHE A 76 -0.162 -5.451 7.568 1.00 43.32 C ATOM 646 CG PHE A 76 -0.246 -5.667 6.075 1.00 42.42 C ATOM 647 CD1 PHE A 76 -0.296 -4.593 5.200 1.00 42.53 C ATOM 648 CD2 PHE A 76 -0.285 -6.952 5.550 1.00 25.44 C ATOM 649 CE1 PHE A 76 -0.381 -4.795 3.837 1.00 51.35 C ATOM 650 CE2 PHE A 76 -0.368 -7.157 4.185 1.00 65.13 C ATOM 651 CZ PHE A 76 -0.417 -6.078 3.328 1.00 41.21 C ATOM 0 H PHE A 76 -1.412 -3.306 7.453 1.00 61.54 H new ATOM 0 HA PHE A 76 -2.227 -5.992 7.807 1.00 33.01 H new ATOM 0 HB2 PHE A 76 0.455 -4.575 7.769 1.00 43.32 H new ATOM 0 HB3 PHE A 76 0.338 -6.305 8.026 1.00 43.32 H new ATOM 0 HD1 PHE A 76 -0.268 -3.586 5.589 1.00 42.53 H new ATOM 0 HD2 PHE A 76 -0.250 -7.802 6.216 1.00 25.44 H new ATOM 0 HE1 PHE A 76 -0.419 -3.948 3.168 1.00 51.35 H new ATOM 0 HE2 PHE A 76 -0.394 -8.162 3.790 1.00 65.13 H new ATOM 0 HZ PHE A 76 -0.483 -6.236 2.262 1.00 41.21 H new ATOM 661 N ARG A 77 -1.199 -4.501 10.544 1.00 64.02 N ATOM 662 CA ARG A 77 -1.138 -4.675 12.004 1.00 51.14 C ATOM 663 C ARG A 77 -2.546 -4.804 12.622 1.00 60.43 C ATOM 664 O ARG A 77 -2.720 -5.461 13.647 1.00 75.42 O ATOM 665 CB ARG A 77 -0.331 -3.535 12.667 1.00 1.05 C ATOM 666 CG ARG A 77 -0.950 -2.140 12.552 1.00 63.44 C ATOM 667 CD ARG A 77 -1.905 -1.822 13.700 1.00 1.55 C ATOM 668 NE ARG A 77 -1.232 -1.847 14.998 1.00 41.34 N ATOM 669 CZ ARG A 77 -1.829 -1.641 16.141 1.00 74.11 C ATOM 670 NH1 ARG A 77 -3.105 -1.411 16.187 1.00 44.23 N ATOM 671 NH2 ARG A 77 -1.144 -1.666 17.240 1.00 21.11 N ATOM 0 H ARG A 77 -1.023 -3.550 10.220 1.00 64.02 H new ATOM 0 HA ARG A 77 -0.615 -5.611 12.201 1.00 51.14 H new ATOM 0 HB2 ARG A 77 -0.202 -3.771 13.723 1.00 1.05 H new ATOM 0 HB3 ARG A 77 0.664 -3.510 12.222 1.00 1.05 H new ATOM 0 HG2 ARG A 77 -0.155 -1.395 12.530 1.00 63.44 H new ATOM 0 HG3 ARG A 77 -1.487 -2.062 11.606 1.00 63.44 H new ATOM 0 HD2 ARG A 77 -2.348 -0.839 13.541 1.00 1.55 H new ATOM 0 HD3 ARG A 77 -2.722 -2.543 13.702 1.00 1.55 H new ATOM 0 HE ARG A 77 -0.230 -2.038 15.011 1.00 41.34 H new ATOM 0 HH11 ARG A 77 -3.651 -1.390 15.326 1.00 44.23 H new ATOM 0 HH12 ARG A 77 -3.562 -1.251 17.085 1.00 44.23 H new ATOM 0 HH21 ARG A 77 -0.140 -1.846 17.211 1.00 21.11 H new ATOM 0 HH22 ARG A 77 -1.608 -1.505 18.134 1.00 21.11 H new ATOM 685 N GLU A 78 -3.548 -4.185 11.997 1.00 1.41 N ATOM 686 CA GLU A 78 -4.938 -4.300 12.465 1.00 0.12 C ATOM 687 C GLU A 78 -5.508 -5.707 12.196 1.00 34.12 C ATOM 688 O GLU A 78 -5.832 -6.451 13.124 1.00 73.11 O ATOM 689 CB GLU A 78 -5.830 -3.250 11.782 1.00 4.35 C ATOM 690 CG GLU A 78 -5.533 -1.803 12.170 1.00 24.03 C ATOM 691 CD GLU A 78 -5.818 -1.498 13.633 1.00 12.23 C ATOM 692 OE1 GLU A 78 -6.877 -1.928 14.138 1.00 72.22 O ATOM 693 OE2 GLU A 78 -4.990 -0.813 14.275 1.00 21.11 O ATOM 0 H GLU A 78 -3.429 -3.601 11.169 1.00 1.41 H new ATOM 0 HA GLU A 78 -4.932 -4.126 13.541 1.00 0.12 H new ATOM 0 HB2 GLU A 78 -5.723 -3.351 10.702 1.00 4.35 H new ATOM 0 HB3 GLU A 78 -6.871 -3.468 12.020 1.00 4.35 H new ATOM 0 HG2 GLU A 78 -4.486 -1.586 11.959 1.00 24.03 H new ATOM 0 HG3 GLU A 78 -6.129 -1.138 11.545 1.00 24.03 H new ATOM 700 N GLN A 79 -5.622 -6.061 10.914 1.00 62.12 N ATOM 701 CA GLN A 79 -6.207 -7.347 10.501 1.00 14.41 C ATOM 702 C GLN A 79 -5.284 -8.543 10.792 1.00 73.13 C ATOM 703 O GLN A 79 -5.655 -9.463 11.520 1.00 40.12 O ATOM 704 CB GLN A 79 -6.545 -7.322 8.998 1.00 54.32 C ATOM 705 CG GLN A 79 -7.814 -6.550 8.648 1.00 12.33 C ATOM 706 CD GLN A 79 -7.769 -5.091 9.048 1.00 0.24 C ATOM 707 OE1 GLN A 79 -6.718 -4.468 9.061 1.00 65.12 O ATOM 708 NE2 GLN A 79 -8.914 -4.535 9.380 1.00 65.14 N ATOM 0 H GLN A 79 -5.316 -5.475 10.137 1.00 62.12 H new ATOM 0 HA GLN A 79 -7.114 -7.478 11.091 1.00 14.41 H new ATOM 0 HB2 GLN A 79 -5.707 -6.883 8.457 1.00 54.32 H new ATOM 0 HB3 GLN A 79 -6.650 -8.348 8.645 1.00 54.32 H new ATOM 0 HG2 GLN A 79 -7.985 -6.618 7.574 1.00 12.33 H new ATOM 0 HG3 GLN A 79 -8.664 -7.025 9.137 1.00 12.33 H new ATOM 0 HE21 GLN A 79 -9.773 -5.084 9.358 1.00 65.14 H new ATOM 0 HE22 GLN A 79 -8.943 -3.554 9.659 1.00 65.14 H new ATOM 717 N PHE A 80 -4.086 -8.527 10.211 1.00 10.42 N ATOM 718 CA PHE A 80 -3.175 -9.681 10.289 1.00 31.33 C ATOM 719 C PHE A 80 -2.261 -9.628 11.526 1.00 11.44 C ATOM 720 O PHE A 80 -1.619 -10.621 11.873 1.00 0.12 O ATOM 721 CB PHE A 80 -2.321 -9.761 9.017 1.00 74.42 C ATOM 722 CG PHE A 80 -3.136 -9.837 7.745 1.00 74.05 C ATOM 723 CD1 PHE A 80 -3.726 -11.032 7.352 1.00 34.03 C ATOM 724 CD2 PHE A 80 -3.318 -8.713 6.947 1.00 25.54 C ATOM 725 CE1 PHE A 80 -4.477 -11.104 6.193 1.00 72.03 C ATOM 726 CE2 PHE A 80 -4.069 -8.783 5.788 1.00 61.42 C ATOM 727 CZ PHE A 80 -4.649 -9.978 5.412 1.00 34.41 C ATOM 0 H PHE A 80 -3.719 -7.735 9.683 1.00 10.42 H new ATOM 0 HA PHE A 80 -3.794 -10.573 10.380 1.00 31.33 H new ATOM 0 HB2 PHE A 80 -1.671 -8.888 8.970 1.00 74.42 H new ATOM 0 HB3 PHE A 80 -1.675 -10.637 9.078 1.00 74.42 H new ATOM 0 HD1 PHE A 80 -3.596 -11.916 7.959 1.00 34.03 H new ATOM 0 HD2 PHE A 80 -2.868 -7.775 7.236 1.00 25.54 H new ATOM 0 HE1 PHE A 80 -4.929 -12.040 5.899 1.00 72.03 H new ATOM 0 HE2 PHE A 80 -4.202 -7.903 5.177 1.00 61.42 H new ATOM 0 HZ PHE A 80 -5.237 -10.032 4.508 1.00 34.41 H new ATOM 737 N GLY A 81 -2.209 -8.477 12.194 1.00 24.22 N ATOM 738 CA GLY A 81 -1.312 -8.315 13.338 1.00 11.41 C ATOM 739 C GLY A 81 0.161 -8.349 12.935 1.00 25.40 C ATOM 740 O GLY A 81 1.016 -8.796 13.701 1.00 15.13 O ATOM 0 H GLY A 81 -2.768 -7.654 11.968 1.00 24.22 H new ATOM 0 HA2 GLY A 81 -1.528 -7.369 13.834 1.00 11.41 H new ATOM 0 HA3 GLY A 81 -1.506 -9.106 14.062 1.00 11.41 H new ATOM 744 N LEU A 82 0.446 -7.880 11.723 1.00 33.24 N ATOM 745 CA LEU A 82 1.806 -7.883 11.172 1.00 44.11 C ATOM 746 C LEU A 82 2.544 -6.575 11.503 1.00 72.31 C ATOM 747 O LEU A 82 2.008 -5.482 11.316 1.00 70.22 O ATOM 748 CB LEU A 82 1.735 -8.080 9.653 1.00 24.02 C ATOM 749 CG LEU A 82 3.087 -8.152 8.916 1.00 74.43 C ATOM 750 CD1 LEU A 82 3.888 -9.377 9.352 1.00 35.30 C ATOM 751 CD2 LEU A 82 2.870 -8.164 7.403 1.00 65.21 C ATOM 0 H LEU A 82 -0.254 -7.487 11.094 1.00 33.24 H new ATOM 0 HA LEU A 82 2.364 -8.703 11.625 1.00 44.11 H new ATOM 0 HB2 LEU A 82 1.185 -8.999 9.451 1.00 24.02 H new ATOM 0 HB3 LEU A 82 1.155 -7.261 9.227 1.00 24.02 H new ATOM 0 HG LEU A 82 3.662 -7.264 9.179 1.00 74.43 H new ATOM 0 HD11 LEU A 82 4.837 -9.401 8.816 1.00 35.30 H new ATOM 0 HD12 LEU A 82 4.079 -9.324 10.424 1.00 35.30 H new ATOM 0 HD13 LEU A 82 3.321 -10.281 9.128 1.00 35.30 H new ATOM 0 HD21 LEU A 82 3.834 -8.215 6.898 1.00 65.21 H new ATOM 0 HD22 LEU A 82 2.270 -9.032 7.128 1.00 65.21 H new ATOM 0 HD23 LEU A 82 2.351 -7.254 7.103 1.00 65.21 H new ATOM 763 N GLU A 83 3.778 -6.690 11.986 1.00 2.23 N ATOM 764 CA GLU A 83 4.571 -5.517 12.377 1.00 21.20 C ATOM 765 C GLU A 83 5.408 -4.965 11.205 1.00 74.11 C ATOM 766 O GLU A 83 6.105 -5.709 10.512 1.00 32.45 O ATOM 767 CB GLU A 83 5.482 -5.870 13.563 1.00 73.12 C ATOM 768 CG GLU A 83 6.437 -7.031 13.294 1.00 72.12 C ATOM 769 CD GLU A 83 7.261 -7.406 14.516 1.00 2.03 C ATOM 770 OE1 GLU A 83 6.791 -8.235 15.324 1.00 70.44 O ATOM 771 OE2 GLU A 83 8.377 -6.871 14.677 1.00 51.20 O ATOM 0 H GLU A 83 4.255 -7.582 12.118 1.00 2.23 H new ATOM 0 HA GLU A 83 3.874 -4.733 12.674 1.00 21.20 H new ATOM 0 HB2 GLU A 83 6.065 -4.990 13.834 1.00 73.12 H new ATOM 0 HB3 GLU A 83 4.860 -6.117 14.423 1.00 73.12 H new ATOM 0 HG2 GLU A 83 5.865 -7.899 12.966 1.00 72.12 H new ATOM 0 HG3 GLU A 83 7.107 -6.764 12.477 1.00 72.12 H new ATOM 778 N LEU A 84 5.329 -3.651 10.992 1.00 61.25 N ATOM 779 CA LEU A 84 6.078 -2.974 9.921 1.00 21.44 C ATOM 780 C LEU A 84 6.714 -1.665 10.431 1.00 73.21 C ATOM 781 O LEU A 84 6.200 -1.044 11.363 1.00 34.45 O ATOM 782 CB LEU A 84 5.145 -2.674 8.733 1.00 21.24 C ATOM 783 CG LEU A 84 4.598 -3.905 7.987 1.00 23.30 C ATOM 784 CD1 LEU A 84 3.605 -3.487 6.902 1.00 34.41 C ATOM 785 CD2 LEU A 84 5.739 -4.721 7.381 1.00 1.01 C ATOM 0 H LEU A 84 4.749 -3.025 11.551 1.00 61.25 H new ATOM 0 HA LEU A 84 6.878 -3.639 9.594 1.00 21.44 H new ATOM 0 HB2 LEU A 84 4.301 -2.088 9.096 1.00 21.24 H new ATOM 0 HB3 LEU A 84 5.684 -2.050 8.020 1.00 21.24 H new ATOM 0 HG LEU A 84 4.073 -4.530 8.709 1.00 23.30 H new ATOM 0 HD11 LEU A 84 3.232 -4.373 6.389 1.00 34.41 H new ATOM 0 HD12 LEU A 84 2.771 -2.954 7.358 1.00 34.41 H new ATOM 0 HD13 LEU A 84 4.103 -2.835 6.184 1.00 34.41 H new ATOM 0 HD21 LEU A 84 5.330 -5.586 6.859 1.00 1.01 H new ATOM 0 HD22 LEU A 84 6.295 -4.102 6.677 1.00 1.01 H new ATOM 0 HD23 LEU A 84 6.406 -5.058 8.174 1.00 1.01 H new ATOM 797 N PRO A 85 7.857 -1.241 9.847 1.00 51.45 N ATOM 798 CA PRO A 85 8.490 0.050 10.184 1.00 21.35 C ATOM 799 C PRO A 85 7.707 1.265 9.638 1.00 24.32 C ATOM 800 O PRO A 85 6.972 1.156 8.657 1.00 21.42 O ATOM 801 CB PRO A 85 9.871 -0.053 9.521 1.00 42.03 C ATOM 802 CG PRO A 85 9.669 -0.996 8.382 1.00 44.01 C ATOM 803 CD PRO A 85 8.637 -1.993 8.843 1.00 54.44 C ATOM 0 HA PRO A 85 8.528 0.215 11.261 1.00 21.35 H new ATOM 0 HB2 PRO A 85 10.218 0.920 9.174 1.00 42.03 H new ATOM 0 HB3 PRO A 85 10.619 -0.428 10.219 1.00 42.03 H new ATOM 0 HG2 PRO A 85 9.329 -0.466 7.493 1.00 44.01 H new ATOM 0 HG3 PRO A 85 10.602 -1.494 8.118 1.00 44.01 H new ATOM 0 HD2 PRO A 85 8.010 -2.332 8.019 1.00 54.44 H new ATOM 0 HD3 PRO A 85 9.100 -2.879 9.276 1.00 54.44 H new ATOM 811 N ARG A 86 7.903 2.430 10.260 1.00 4.04 N ATOM 812 CA ARG A 86 7.128 3.641 9.933 1.00 52.04 C ATOM 813 C ARG A 86 7.638 4.350 8.659 1.00 33.23 C ATOM 814 O ARG A 86 7.167 5.441 8.316 1.00 43.12 O ATOM 815 CB ARG A 86 7.184 4.622 11.115 1.00 63.05 C ATOM 816 CG ARG A 86 6.883 3.978 12.465 1.00 3.30 C ATOM 817 CD ARG A 86 7.072 4.960 13.617 1.00 74.14 C ATOM 818 NE ARG A 86 7.082 4.290 14.916 1.00 14.20 N ATOM 819 CZ ARG A 86 7.357 4.883 16.048 1.00 75.02 C ATOM 820 NH1 ARG A 86 7.570 6.157 16.091 1.00 3.52 N ATOM 821 NH2 ARG A 86 7.404 4.194 17.139 1.00 42.31 N ATOM 0 H ARG A 86 8.594 2.566 10.998 1.00 4.04 H new ATOM 0 HA ARG A 86 6.103 3.324 9.742 1.00 52.04 H new ATOM 0 HB2 ARG A 86 8.175 5.075 11.152 1.00 63.05 H new ATOM 0 HB3 ARG A 86 6.471 5.428 10.940 1.00 63.05 H new ATOM 0 HG2 ARG A 86 5.859 3.606 12.469 1.00 3.30 H new ATOM 0 HG3 ARG A 86 7.536 3.117 12.611 1.00 3.30 H new ATOM 0 HD2 ARG A 86 8.009 5.501 13.482 1.00 74.14 H new ATOM 0 HD3 ARG A 86 6.271 5.699 13.597 1.00 74.14 H new ATOM 0 HE ARG A 86 6.860 3.295 14.941 1.00 14.20 H new ATOM 0 HH11 ARG A 86 7.524 6.711 15.236 1.00 3.52 H new ATOM 0 HH12 ARG A 86 7.784 6.609 16.980 1.00 3.52 H new ATOM 0 HH21 ARG A 86 7.227 3.190 17.116 1.00 42.31 H new ATOM 0 HH22 ARG A 86 7.618 4.654 18.024 1.00 42.31 H new ATOM 835 N SER A 87 8.594 3.736 7.962 1.00 73.41 N ATOM 836 CA SER A 87 9.190 4.340 6.757 1.00 4.51 C ATOM 837 C SER A 87 9.230 3.345 5.584 1.00 65.13 C ATOM 838 O SER A 87 9.722 2.220 5.728 1.00 43.32 O ATOM 839 CB SER A 87 10.615 4.837 7.059 1.00 34.43 C ATOM 840 OG SER A 87 10.638 5.719 8.172 1.00 1.43 O ATOM 0 H SER A 87 8.976 2.822 8.206 1.00 73.41 H new ATOM 0 HA SER A 87 8.561 5.182 6.468 1.00 4.51 H new ATOM 0 HB2 SER A 87 11.264 3.984 7.257 1.00 34.43 H new ATOM 0 HB3 SER A 87 11.016 5.346 6.183 1.00 34.43 H new ATOM 0 HG SER A 87 11.558 6.014 8.337 1.00 1.43 H new ATOM 846 N THR A 88 8.726 3.773 4.423 1.00 70.14 N ATOM 847 CA THR A 88 8.685 2.925 3.217 1.00 3.53 C ATOM 848 C THR A 88 10.074 2.383 2.869 1.00 74.12 C ATOM 849 O THR A 88 10.232 1.203 2.557 1.00 73.51 O ATOM 850 CB THR A 88 8.140 3.702 1.990 1.00 52.45 C ATOM 851 OG1 THR A 88 6.827 4.211 2.264 1.00 24.11 O ATOM 852 CG2 THR A 88 8.088 2.815 0.746 1.00 23.33 C ATOM 0 H THR A 88 8.337 4.706 4.288 1.00 70.14 H new ATOM 0 HA THR A 88 8.015 2.097 3.447 1.00 3.53 H new ATOM 0 HB THR A 88 8.822 4.530 1.798 1.00 52.45 H new ATOM 0 HG1 THR A 88 6.533 4.776 1.519 1.00 24.11 H new ATOM 0 HG21 THR A 88 7.702 3.390 -0.095 1.00 23.33 H new ATOM 0 HG22 THR A 88 9.091 2.458 0.511 1.00 23.33 H new ATOM 0 HG23 THR A 88 7.434 1.963 0.934 1.00 23.33 H new ATOM 860 N TYR A 89 11.077 3.254 2.954 1.00 63.12 N ATOM 861 CA TYR A 89 12.468 2.892 2.642 1.00 33.43 C ATOM 862 C TYR A 89 12.912 1.629 3.401 1.00 11.32 C ATOM 863 O TYR A 89 13.710 0.838 2.897 1.00 45.42 O ATOM 864 CB TYR A 89 13.398 4.068 2.981 1.00 20.13 C ATOM 865 CG TYR A 89 13.080 5.339 2.210 1.00 54.30 C ATOM 866 CD1 TYR A 89 12.014 6.154 2.583 1.00 2.41 C ATOM 867 CD2 TYR A 89 13.835 5.718 1.103 1.00 41.01 C ATOM 868 CE1 TYR A 89 11.708 7.301 1.877 1.00 4.05 C ATOM 869 CE2 TYR A 89 13.538 6.869 0.397 1.00 51.21 C ATOM 870 CZ TYR A 89 12.473 7.654 0.786 1.00 33.02 C ATOM 871 OH TYR A 89 12.164 8.790 0.074 1.00 72.21 O ATOM 0 H TYR A 89 10.956 4.226 3.239 1.00 63.12 H new ATOM 0 HA TYR A 89 12.528 2.673 1.576 1.00 33.43 H new ATOM 0 HB2 TYR A 89 13.333 4.275 4.049 1.00 20.13 H new ATOM 0 HB3 TYR A 89 14.428 3.777 2.775 1.00 20.13 H new ATOM 0 HD1 TYR A 89 11.415 5.884 3.440 1.00 2.41 H new ATOM 0 HD2 TYR A 89 14.666 5.103 0.791 1.00 41.01 H new ATOM 0 HE1 TYR A 89 10.874 7.918 2.178 1.00 4.05 H new ATOM 0 HE2 TYR A 89 14.138 7.152 -0.456 1.00 51.21 H new ATOM 0 HH TYR A 89 11.523 8.568 -0.633 1.00 72.21 H new ATOM 881 N GLU A 90 12.376 1.445 4.605 1.00 3.35 N ATOM 882 CA GLU A 90 12.686 0.275 5.432 1.00 55.40 C ATOM 883 C GLU A 90 11.758 -0.905 5.104 1.00 62.13 C ATOM 884 O GLU A 90 12.200 -2.054 5.042 1.00 4.41 O ATOM 885 CB GLU A 90 12.555 0.642 6.916 1.00 24.43 C ATOM 886 CG GLU A 90 13.472 1.777 7.360 1.00 41.41 C ATOM 887 CD GLU A 90 14.946 1.396 7.329 1.00 71.34 C ATOM 888 OE1 GLU A 90 15.423 0.785 8.310 1.00 21.15 O ATOM 889 OE2 GLU A 90 15.632 1.712 6.334 1.00 4.22 O ATOM 0 H GLU A 90 11.719 2.096 5.035 1.00 3.35 H new ATOM 0 HA GLU A 90 13.710 -0.031 5.217 1.00 55.40 H new ATOM 0 HB2 GLU A 90 11.522 0.923 7.120 1.00 24.43 H new ATOM 0 HB3 GLU A 90 12.770 -0.241 7.518 1.00 24.43 H new ATOM 0 HG2 GLU A 90 13.312 2.640 6.714 1.00 41.41 H new ATOM 0 HG3 GLU A 90 13.202 2.081 8.371 1.00 41.41 H new ATOM 896 N GLN A 91 10.467 -0.617 4.891 1.00 52.33 N ATOM 897 CA GLN A 91 9.489 -1.660 4.531 1.00 33.45 C ATOM 898 C GLN A 91 9.920 -2.421 3.268 1.00 14.33 C ATOM 899 O GLN A 91 9.618 -3.607 3.109 1.00 4.34 O ATOM 900 CB GLN A 91 8.087 -1.062 4.328 1.00 14.15 C ATOM 901 CG GLN A 91 7.401 -0.643 5.624 1.00 23.15 C ATOM 902 CD GLN A 91 5.950 -0.242 5.420 1.00 4.43 C ATOM 903 OE1 GLN A 91 5.288 -0.711 4.506 1.00 34.01 O ATOM 904 NE2 GLN A 91 5.435 0.606 6.290 1.00 14.34 N ATOM 0 H GLN A 91 10.075 0.322 4.960 1.00 52.33 H new ATOM 0 HA GLN A 91 9.451 -2.364 5.362 1.00 33.45 H new ATOM 0 HB2 GLN A 91 8.164 -0.195 3.672 1.00 14.15 H new ATOM 0 HB3 GLN A 91 7.461 -1.794 3.817 1.00 14.15 H new ATOM 0 HG2 GLN A 91 7.449 -1.466 6.337 1.00 23.15 H new ATOM 0 HG3 GLN A 91 7.945 0.192 6.064 1.00 23.15 H new ATOM 0 HE21 GLN A 91 6.014 0.980 7.042 1.00 14.34 H new ATOM 0 HE22 GLN A 91 4.458 0.888 6.211 1.00 14.34 H new ATOM 913 N GLN A 92 10.637 -1.729 2.384 1.00 22.42 N ATOM 914 CA GLN A 92 11.194 -2.341 1.171 1.00 21.23 C ATOM 915 C GLN A 92 12.023 -3.598 1.490 1.00 41.43 C ATOM 916 O GLN A 92 11.979 -4.586 0.763 1.00 2.34 O ATOM 917 CB GLN A 92 12.081 -1.322 0.440 1.00 22.54 C ATOM 918 CG GLN A 92 11.335 -0.076 -0.029 1.00 40.04 C ATOM 919 CD GLN A 92 12.254 0.995 -0.602 1.00 30.32 C ATOM 920 OE1 GLN A 92 11.873 1.735 -1.502 1.00 33.15 O ATOM 921 NE2 GLN A 92 13.456 1.111 -0.066 1.00 63.43 N ATOM 0 H GLN A 92 10.849 -0.736 2.484 1.00 22.42 H new ATOM 0 HA GLN A 92 10.358 -2.640 0.539 1.00 21.23 H new ATOM 0 HB2 GLN A 92 12.892 -1.020 1.103 1.00 22.54 H new ATOM 0 HB3 GLN A 92 12.538 -1.806 -0.423 1.00 22.54 H new ATOM 0 HG2 GLN A 92 10.605 -0.361 -0.786 1.00 40.04 H new ATOM 0 HG3 GLN A 92 10.778 0.343 0.809 1.00 40.04 H new ATOM 0 HE21 GLN A 92 13.744 0.480 0.682 1.00 63.43 H new ATOM 0 HE22 GLN A 92 14.096 1.832 -0.400 1.00 63.43 H new ATOM 930 N GLU A 93 12.771 -3.556 2.587 1.00 71.54 N ATOM 931 CA GLU A 93 13.693 -4.642 2.942 1.00 21.13 C ATOM 932 C GLU A 93 13.066 -5.631 3.943 1.00 62.10 C ATOM 933 O GLU A 93 13.778 -6.352 4.648 1.00 30.13 O ATOM 934 CB GLU A 93 14.986 -4.043 3.519 1.00 3.32 C ATOM 935 CG GLU A 93 15.634 -3.006 2.605 1.00 62.31 C ATOM 936 CD GLU A 93 17.025 -2.595 3.058 1.00 75.43 C ATOM 937 OE1 GLU A 93 17.939 -3.450 3.040 1.00 22.02 O ATOM 938 OE2 GLU A 93 17.218 -1.416 3.418 1.00 12.22 O ATOM 0 H GLU A 93 12.761 -2.782 3.251 1.00 71.54 H new ATOM 0 HA GLU A 93 13.917 -5.205 2.036 1.00 21.13 H new ATOM 0 HB2 GLU A 93 14.766 -3.581 4.481 1.00 3.32 H new ATOM 0 HB3 GLU A 93 15.698 -4.847 3.707 1.00 3.32 H new ATOM 0 HG2 GLU A 93 15.692 -3.408 1.594 1.00 62.31 H new ATOM 0 HG3 GLU A 93 14.998 -2.122 2.560 1.00 62.31 H new ATOM 945 N MET A 94 11.734 -5.683 3.985 1.00 13.22 N ATOM 946 CA MET A 94 11.025 -6.562 4.925 1.00 32.22 C ATOM 947 C MET A 94 10.564 -7.886 4.284 1.00 64.15 C ATOM 948 O MET A 94 10.576 -8.929 4.944 1.00 4.44 O ATOM 949 CB MET A 94 9.819 -5.829 5.527 1.00 44.12 C ATOM 950 CG MET A 94 10.199 -4.654 6.418 1.00 22.51 C ATOM 951 SD MET A 94 11.119 -5.159 7.886 1.00 13.02 S ATOM 952 CE MET A 94 9.893 -6.149 8.744 1.00 63.05 C ATOM 0 H MET A 94 11.124 -5.130 3.383 1.00 13.22 H new ATOM 0 HA MET A 94 11.737 -6.819 5.709 1.00 32.22 H new ATOM 0 HB2 MET A 94 9.183 -5.469 4.718 1.00 44.12 H new ATOM 0 HB3 MET A 94 9.227 -6.537 6.107 1.00 44.12 H new ATOM 0 HG2 MET A 94 10.799 -3.948 5.844 1.00 22.51 H new ATOM 0 HG3 MET A 94 9.294 -4.129 6.724 1.00 22.51 H new ATOM 0 HE1 MET A 94 10.183 -6.262 9.789 1.00 63.05 H new ATOM 0 HE2 MET A 94 8.923 -5.655 8.688 1.00 63.05 H new ATOM 0 HE3 MET A 94 9.827 -7.132 8.277 1.00 63.05 H new ATOM 962 N GLY A 95 10.166 -7.856 3.011 1.00 1.02 N ATOM 963 CA GLY A 95 9.571 -9.043 2.385 1.00 61.42 C ATOM 964 C GLY A 95 10.229 -9.473 1.074 1.00 63.05 C ATOM 965 O GLY A 95 11.223 -8.888 0.638 1.00 41.42 O ATOM 0 H GLY A 95 10.241 -7.041 2.402 1.00 1.02 H new ATOM 0 HA2 GLY A 95 9.622 -9.873 3.090 1.00 61.42 H new ATOM 0 HA3 GLY A 95 8.515 -8.848 2.198 1.00 61.42 H new ATOM 969 N LYS A 96 9.652 -10.501 0.439 1.00 73.53 N ATOM 970 CA LYS A 96 10.191 -11.069 -0.810 1.00 31.31 C ATOM 971 C LYS A 96 9.681 -10.318 -2.046 1.00 63.41 C ATOM 972 O LYS A 96 8.556 -9.824 -2.063 1.00 1.02 O ATOM 973 CB LYS A 96 9.809 -12.553 -0.927 1.00 62.12 C ATOM 974 CG LYS A 96 10.394 -13.432 0.171 1.00 1.02 C ATOM 975 CD LYS A 96 11.919 -13.508 0.103 1.00 71.11 C ATOM 976 CE LYS A 96 12.404 -14.121 -1.209 1.00 51.31 C ATOM 977 NZ LYS A 96 13.884 -14.265 -1.248 1.00 54.33 N ATOM 0 H LYS A 96 8.805 -10.962 0.771 1.00 73.53 H new ATOM 0 HA LYS A 96 11.275 -10.965 -0.770 1.00 31.31 H new ATOM 0 HB2 LYS A 96 8.723 -12.640 -0.908 1.00 62.12 H new ATOM 0 HB3 LYS A 96 10.142 -12.928 -1.895 1.00 62.12 H new ATOM 0 HG2 LYS A 96 10.095 -13.042 1.144 1.00 1.02 H new ATOM 0 HG3 LYS A 96 9.978 -14.436 0.089 1.00 1.02 H new ATOM 0 HD2 LYS A 96 12.337 -12.507 0.212 1.00 71.11 H new ATOM 0 HD3 LYS A 96 12.290 -14.101 0.939 1.00 71.11 H new ATOM 0 HE2 LYS A 96 11.942 -15.099 -1.344 1.00 51.31 H new ATOM 0 HE3 LYS A 96 12.079 -13.497 -2.042 1.00 51.31 H new ATOM 0 HZ1 LYS A 96 14.168 -14.685 -2.156 1.00 54.33 H new ATOM 0 HZ2 LYS A 96 14.327 -13.329 -1.145 1.00 54.33 H new ATOM 0 HZ3 LYS A 96 14.193 -14.882 -0.470 1.00 54.33 H new ATOM 991 N SER A 97 10.504 -10.273 -3.092 1.00 14.22 N ATOM 992 CA SER A 97 10.181 -9.514 -4.313 1.00 55.44 C ATOM 993 C SER A 97 9.426 -10.360 -5.351 1.00 44.45 C ATOM 994 O SER A 97 9.561 -11.584 -5.401 1.00 14.25 O ATOM 995 CB SER A 97 11.460 -8.951 -4.951 1.00 72.40 C ATOM 996 OG SER A 97 12.377 -9.985 -5.284 1.00 40.44 O ATOM 0 H SER A 97 11.404 -10.753 -3.125 1.00 14.22 H new ATOM 0 HA SER A 97 9.526 -8.698 -4.007 1.00 55.44 H new ATOM 0 HB2 SER A 97 11.203 -8.389 -5.849 1.00 72.40 H new ATOM 0 HB3 SER A 97 11.934 -8.252 -4.262 1.00 72.40 H new ATOM 0 HG SER A 97 13.179 -9.593 -5.689 1.00 40.44 H new ATOM 1002 N VAL A 98 8.636 -9.683 -6.183 1.00 45.24 N ATOM 1003 CA VAL A 98 7.862 -10.323 -7.256 1.00 13.32 C ATOM 1004 C VAL A 98 7.893 -9.489 -8.548 1.00 4.32 C ATOM 1005 O VAL A 98 8.189 -8.293 -8.526 1.00 22.31 O ATOM 1006 CB VAL A 98 6.385 -10.559 -6.834 1.00 31.31 C ATOM 1007 CG1 VAL A 98 6.225 -11.909 -6.144 1.00 35.04 C ATOM 1008 CG2 VAL A 98 5.888 -9.433 -5.925 1.00 74.11 C ATOM 0 H VAL A 98 8.511 -8.672 -6.135 1.00 45.24 H new ATOM 0 HA VAL A 98 8.333 -11.288 -7.445 1.00 13.32 H new ATOM 0 HB VAL A 98 5.777 -10.562 -7.739 1.00 31.31 H new ATOM 0 HG11 VAL A 98 5.183 -12.050 -5.858 1.00 35.04 H new ATOM 0 HG12 VAL A 98 6.525 -12.704 -6.826 1.00 35.04 H new ATOM 0 HG13 VAL A 98 6.852 -11.939 -5.253 1.00 35.04 H new ATOM 0 HG21 VAL A 98 4.852 -9.623 -5.644 1.00 74.11 H new ATOM 0 HG22 VAL A 98 6.505 -9.391 -5.028 1.00 74.11 H new ATOM 0 HG23 VAL A 98 5.952 -8.483 -6.455 1.00 74.11 H new ATOM 1018 N SER A 99 7.600 -10.136 -9.675 1.00 65.10 N ATOM 1019 CA SER A 99 7.565 -9.459 -10.981 1.00 2.22 C ATOM 1020 C SER A 99 6.182 -8.854 -11.265 1.00 4.52 C ATOM 1021 O SER A 99 5.179 -9.297 -10.706 1.00 33.10 O ATOM 1022 CB SER A 99 7.923 -10.446 -12.098 1.00 63.43 C ATOM 1023 OG SER A 99 7.827 -9.840 -13.380 1.00 24.43 O ATOM 0 H SER A 99 7.382 -11.132 -9.715 1.00 65.10 H new ATOM 0 HA SER A 99 8.296 -8.651 -10.951 1.00 2.22 H new ATOM 0 HB2 SER A 99 8.936 -10.818 -11.945 1.00 63.43 H new ATOM 0 HB3 SER A 99 7.257 -11.307 -12.051 1.00 63.43 H new ATOM 0 HG SER A 99 7.153 -10.310 -13.914 1.00 24.43 H new ATOM 1029 N ARG A 100 6.136 -7.857 -12.153 1.00 32.22 N ATOM 1030 CA ARG A 100 4.872 -7.225 -12.563 1.00 52.54 C ATOM 1031 C ARG A 100 3.842 -8.274 -13.023 1.00 72.11 C ATOM 1032 O ARG A 100 2.636 -8.103 -12.847 1.00 52.21 O ATOM 1033 CB ARG A 100 5.137 -6.219 -13.694 1.00 20.53 C ATOM 1034 CG ARG A 100 3.889 -5.517 -14.226 1.00 53.44 C ATOM 1035 CD ARG A 100 3.247 -4.602 -13.187 1.00 21.24 C ATOM 1036 NE ARG A 100 2.006 -4.002 -13.684 1.00 53.15 N ATOM 1037 CZ ARG A 100 1.893 -2.765 -14.092 1.00 52.44 C ATOM 1038 NH1 ARG A 100 2.905 -1.958 -14.043 1.00 5.12 N ATOM 1039 NH2 ARG A 100 0.758 -2.332 -14.543 1.00 61.24 N ATOM 0 H ARG A 100 6.962 -7.466 -12.606 1.00 32.22 H new ATOM 0 HA ARG A 100 4.458 -6.704 -11.700 1.00 52.54 H new ATOM 0 HB2 ARG A 100 5.837 -5.465 -13.335 1.00 20.53 H new ATOM 0 HB3 ARG A 100 5.624 -6.739 -14.518 1.00 20.53 H new ATOM 0 HG2 ARG A 100 4.153 -4.932 -15.107 1.00 53.44 H new ATOM 0 HG3 ARG A 100 3.163 -6.265 -14.545 1.00 53.44 H new ATOM 0 HD2 ARG A 100 3.038 -5.171 -12.281 1.00 21.24 H new ATOM 0 HD3 ARG A 100 3.948 -3.813 -12.914 1.00 21.24 H new ATOM 0 HE ARG A 100 1.173 -4.590 -13.714 1.00 53.15 H new ATOM 0 HH11 ARG A 100 3.802 -2.286 -13.683 1.00 5.12 H new ATOM 0 HH12 ARG A 100 2.805 -0.995 -14.364 1.00 5.12 H new ATOM 0 HH21 ARG A 100 -0.048 -2.956 -14.580 1.00 61.24 H new ATOM 0 HH22 ARG A 100 0.670 -1.367 -14.861 1.00 61.24 H new ATOM 1053 N SER A 101 4.338 -9.354 -13.618 1.00 15.44 N ATOM 1054 CA SER A 101 3.492 -10.466 -14.073 1.00 0.00 C ATOM 1055 C SER A 101 2.986 -11.340 -12.908 1.00 44.14 C ATOM 1056 O SER A 101 1.908 -11.930 -12.985 1.00 34.44 O ATOM 1057 CB SER A 101 4.282 -11.337 -15.060 1.00 34.34 C ATOM 1058 OG SER A 101 5.555 -11.691 -14.530 1.00 20.43 O ATOM 0 H SER A 101 5.332 -9.489 -13.801 1.00 15.44 H new ATOM 0 HA SER A 101 2.617 -10.033 -14.558 1.00 0.00 H new ATOM 0 HB2 SER A 101 3.715 -12.240 -15.286 1.00 34.34 H new ATOM 0 HB3 SER A 101 4.413 -10.800 -15.999 1.00 34.34 H new ATOM 0 HG SER A 101 5.437 -12.318 -13.787 1.00 20.43 H new ATOM 1064 N ASN A 102 3.761 -11.405 -11.829 1.00 74.44 N ATOM 1065 CA ASN A 102 3.476 -12.321 -10.708 1.00 63.51 C ATOM 1066 C ASN A 102 2.703 -11.642 -9.562 1.00 32.45 C ATOM 1067 O ASN A 102 2.380 -12.291 -8.563 1.00 50.23 O ATOM 1068 CB ASN A 102 4.794 -12.897 -10.166 1.00 35.33 C ATOM 1069 CG ASN A 102 5.549 -13.715 -11.202 1.00 14.23 C ATOM 1070 OD1 ASN A 102 5.447 -13.479 -12.399 1.00 41.33 O ATOM 1071 ND2 ASN A 102 6.318 -14.688 -10.750 1.00 10.13 N ATOM 0 H ASN A 102 4.597 -10.835 -11.699 1.00 74.44 H new ATOM 0 HA ASN A 102 2.841 -13.116 -11.098 1.00 63.51 H new ATOM 0 HB2 ASN A 102 5.428 -12.080 -9.822 1.00 35.33 H new ATOM 0 HB3 ASN A 102 4.583 -13.523 -9.299 1.00 35.33 H new ATOM 0 HD21 ASN A 102 6.846 -15.266 -11.404 1.00 10.13 H new ATOM 0 HD22 ASN A 102 6.384 -14.862 -9.747 1.00 10.13 H new ATOM 1078 N LEU A 103 2.412 -10.354 -9.708 1.00 3.54 N ATOM 1079 CA LEU A 103 1.722 -9.579 -8.664 1.00 62.55 C ATOM 1080 C LEU A 103 0.333 -10.148 -8.326 1.00 74.30 C ATOM 1081 O LEU A 103 -0.529 -10.283 -9.201 1.00 61.22 O ATOM 1082 CB LEU A 103 1.575 -8.114 -9.099 1.00 54.20 C ATOM 1083 CG LEU A 103 2.891 -7.390 -9.414 1.00 34.34 C ATOM 1084 CD1 LEU A 103 2.648 -5.907 -9.673 1.00 32.02 C ATOM 1085 CD2 LEU A 103 3.894 -7.589 -8.282 1.00 71.24 C ATOM 0 H LEU A 103 2.642 -9.815 -10.543 1.00 3.54 H new ATOM 0 HA LEU A 103 2.337 -9.646 -7.767 1.00 62.55 H new ATOM 0 HB2 LEU A 103 0.938 -8.076 -9.983 1.00 54.20 H new ATOM 0 HB3 LEU A 103 1.058 -7.568 -8.310 1.00 54.20 H new ATOM 0 HG LEU A 103 3.311 -7.823 -10.322 1.00 34.34 H new ATOM 0 HD11 LEU A 103 3.596 -5.416 -9.894 1.00 32.02 H new ATOM 0 HD12 LEU A 103 1.973 -5.792 -10.521 1.00 32.02 H new ATOM 0 HD13 LEU A 103 2.201 -5.452 -8.789 1.00 32.02 H new ATOM 0 HD21 LEU A 103 4.821 -7.069 -8.522 1.00 71.24 H new ATOM 0 HD22 LEU A 103 3.482 -7.188 -7.356 1.00 71.24 H new ATOM 0 HD23 LEU A 103 4.096 -8.653 -8.158 1.00 71.24 H new ATOM 1097 N ARG A 104 0.127 -10.467 -7.048 1.00 53.13 N ATOM 1098 CA ARG A 104 -1.169 -10.940 -6.544 1.00 54.34 C ATOM 1099 C ARG A 104 -1.614 -10.115 -5.324 1.00 72.11 C ATOM 1100 O ARG A 104 -0.927 -9.181 -4.902 1.00 52.23 O ATOM 1101 CB ARG A 104 -1.089 -12.424 -6.160 1.00 34.32 C ATOM 1102 CG ARG A 104 -0.619 -13.337 -7.289 1.00 1.40 C ATOM 1103 CD ARG A 104 -0.673 -14.807 -6.885 1.00 20.13 C ATOM 1104 NE ARG A 104 -2.048 -15.268 -6.683 1.00 2.11 N ATOM 1105 CZ ARG A 104 -2.420 -16.114 -5.759 1.00 61.41 C ATOM 1106 NH1 ARG A 104 -1.564 -16.589 -4.909 1.00 5.20 N ATOM 1107 NH2 ARG A 104 -3.659 -16.480 -5.692 1.00 25.31 N ATOM 0 H ARG A 104 0.850 -10.406 -6.332 1.00 53.13 H new ATOM 0 HA ARG A 104 -1.903 -10.817 -7.340 1.00 54.34 H new ATOM 0 HB2 ARG A 104 -0.411 -12.533 -5.314 1.00 34.32 H new ATOM 0 HB3 ARG A 104 -2.072 -12.755 -5.825 1.00 34.32 H new ATOM 0 HG2 ARG A 104 -1.242 -13.178 -8.169 1.00 1.40 H new ATOM 0 HG3 ARG A 104 0.401 -13.074 -7.569 1.00 1.40 H new ATOM 0 HD2 ARG A 104 -0.197 -15.413 -7.656 1.00 20.13 H new ATOM 0 HD3 ARG A 104 -0.103 -14.952 -5.967 1.00 20.13 H new ATOM 0 HE ARG A 104 -2.767 -14.903 -7.308 1.00 2.11 H new ATOM 0 HH11 ARG A 104 -0.586 -16.303 -4.956 1.00 5.20 H new ATOM 0 HH12 ARG A 104 -1.869 -17.249 -4.193 1.00 5.20 H new ATOM 0 HH21 ARG A 104 -4.337 -16.109 -6.357 1.00 25.31 H new ATOM 0 HH22 ARG A 104 -3.958 -17.140 -4.974 1.00 25.31 H new ATOM 1121 N THR A 105 -2.768 -10.464 -4.759 1.00 14.25 N ATOM 1122 CA THR A 105 -3.307 -9.747 -3.595 1.00 71.23 C ATOM 1123 C THR A 105 -2.401 -9.893 -2.362 1.00 42.32 C ATOM 1124 O THR A 105 -2.332 -10.962 -1.752 1.00 50.03 O ATOM 1125 CB THR A 105 -4.722 -10.251 -3.215 1.00 54.51 C ATOM 1126 OG1 THR A 105 -5.554 -10.344 -4.387 1.00 21.41 O ATOM 1127 CG2 THR A 105 -5.376 -9.318 -2.200 1.00 71.52 C ATOM 0 H THR A 105 -3.350 -11.236 -5.084 1.00 14.25 H new ATOM 0 HA THR A 105 -3.357 -8.699 -3.890 1.00 71.23 H new ATOM 0 HB THR A 105 -4.617 -11.240 -2.769 1.00 54.51 H new ATOM 0 HG1 THR A 105 -5.912 -9.458 -4.605 1.00 21.41 H new ATOM 0 HG21 THR A 105 -6.368 -9.692 -1.948 1.00 71.52 H new ATOM 0 HG22 THR A 105 -4.765 -9.275 -1.298 1.00 71.52 H new ATOM 0 HG23 THR A 105 -5.463 -8.319 -2.627 1.00 71.52 H new ATOM 1135 N GLY A 106 -1.714 -8.812 -1.995 1.00 1.43 N ATOM 1136 CA GLY A 106 -0.849 -8.836 -0.815 1.00 74.43 C ATOM 1137 C GLY A 106 0.548 -8.287 -1.076 1.00 54.11 C ATOM 1138 O GLY A 106 1.269 -7.937 -0.136 1.00 64.11 O ATOM 0 H GLY A 106 -1.738 -7.920 -2.489 1.00 1.43 H new ATOM 0 HA2 GLY A 106 -1.316 -8.256 -0.020 1.00 74.43 H new ATOM 0 HA3 GLY A 106 -0.767 -9.862 -0.455 1.00 74.43 H new ATOM 1142 N ASP A 107 0.942 -8.221 -2.346 1.00 44.43 N ATOM 1143 CA ASP A 107 2.257 -7.695 -2.721 1.00 23.23 C ATOM 1144 C ASP A 107 2.306 -6.160 -2.587 1.00 73.33 C ATOM 1145 O ASP A 107 1.431 -5.449 -3.089 1.00 72.14 O ATOM 1146 CB ASP A 107 2.613 -8.109 -4.158 1.00 32.21 C ATOM 1147 CG ASP A 107 2.642 -9.619 -4.362 1.00 41.04 C ATOM 1148 OD1 ASP A 107 2.844 -10.361 -3.381 1.00 53.35 O ATOM 1149 OD2 ASP A 107 2.472 -10.069 -5.510 1.00 33.11 O ATOM 0 H ASP A 107 0.371 -8.525 -3.135 1.00 44.43 H new ATOM 0 HA ASP A 107 2.991 -8.120 -2.036 1.00 23.23 H new ATOM 0 HB2 ASP A 107 1.889 -7.671 -4.845 1.00 32.21 H new ATOM 0 HB3 ASP A 107 3.588 -7.696 -4.417 1.00 32.21 H new ATOM 1154 N LEU A 108 3.331 -5.652 -1.902 1.00 34.14 N ATOM 1155 CA LEU A 108 3.508 -4.206 -1.742 1.00 63.25 C ATOM 1156 C LEU A 108 4.258 -3.617 -2.946 1.00 72.23 C ATOM 1157 O LEU A 108 5.424 -3.939 -3.179 1.00 13.54 O ATOM 1158 CB LEU A 108 4.271 -3.902 -0.445 1.00 51.33 C ATOM 1159 CG LEU A 108 3.670 -4.519 0.832 1.00 30.54 C ATOM 1160 CD1 LEU A 108 4.446 -4.074 2.070 1.00 5.14 C ATOM 1161 CD2 LEU A 108 2.189 -4.169 0.961 1.00 23.23 C ATOM 0 H LEU A 108 4.050 -6.217 -1.450 1.00 34.14 H new ATOM 0 HA LEU A 108 2.522 -3.744 -1.687 1.00 63.25 H new ATOM 0 HB2 LEU A 108 5.295 -4.258 -0.553 1.00 51.33 H new ATOM 0 HB3 LEU A 108 4.321 -2.821 -0.317 1.00 51.33 H new ATOM 0 HG LEU A 108 3.754 -5.603 0.754 1.00 30.54 H new ATOM 0 HD11 LEU A 108 4.002 -4.523 2.959 1.00 5.14 H new ATOM 0 HD12 LEU A 108 5.485 -4.393 1.983 1.00 5.14 H new ATOM 0 HD13 LEU A 108 4.406 -2.988 2.154 1.00 5.14 H new ATOM 0 HD21 LEU A 108 1.787 -4.616 1.870 1.00 23.23 H new ATOM 0 HD22 LEU A 108 2.074 -3.086 1.007 1.00 23.23 H new ATOM 0 HD23 LEU A 108 1.647 -4.555 0.097 1.00 23.23 H new ATOM 1173 N VAL A 109 3.590 -2.751 -3.697 1.00 4.31 N ATOM 1174 CA VAL A 109 4.155 -2.193 -4.930 1.00 4.14 C ATOM 1175 C VAL A 109 4.818 -0.823 -4.690 1.00 44.42 C ATOM 1176 O VAL A 109 4.219 0.081 -4.106 1.00 71.25 O ATOM 1177 CB VAL A 109 3.069 -2.072 -6.036 1.00 52.34 C ATOM 1178 CG1 VAL A 109 2.639 -3.456 -6.526 1.00 12.42 C ATOM 1179 CG2 VAL A 109 1.855 -1.287 -5.535 1.00 74.13 C ATOM 0 H VAL A 109 2.652 -2.415 -3.477 1.00 4.31 H new ATOM 0 HA VAL A 109 4.927 -2.885 -5.267 1.00 4.14 H new ATOM 0 HB VAL A 109 3.506 -1.526 -6.872 1.00 52.34 H new ATOM 0 HG11 VAL A 109 1.879 -3.348 -7.299 1.00 12.42 H new ATOM 0 HG12 VAL A 109 3.502 -3.981 -6.936 1.00 12.42 H new ATOM 0 HG13 VAL A 109 2.230 -4.026 -5.692 1.00 12.42 H new ATOM 0 HG21 VAL A 109 1.112 -1.219 -6.330 1.00 74.13 H new ATOM 0 HG22 VAL A 109 1.421 -1.798 -4.676 1.00 74.13 H new ATOM 0 HG23 VAL A 109 2.166 -0.284 -5.242 1.00 74.13 H new ATOM 1189 N LEU A 110 6.068 -0.691 -5.144 1.00 74.21 N ATOM 1190 CA LEU A 110 6.863 0.529 -4.934 1.00 24.42 C ATOM 1191 C LEU A 110 6.819 1.455 -6.161 1.00 13.30 C ATOM 1192 O LEU A 110 7.087 1.025 -7.288 1.00 12.22 O ATOM 1193 CB LEU A 110 8.322 0.150 -4.629 1.00 4.13 C ATOM 1194 CG LEU A 110 8.524 -0.760 -3.407 1.00 42.43 C ATOM 1195 CD1 LEU A 110 9.984 -1.187 -3.282 1.00 43.24 C ATOM 1196 CD2 LEU A 110 8.051 -0.060 -2.133 1.00 31.40 C ATOM 0 H LEU A 110 6.557 -1.419 -5.664 1.00 74.21 H new ATOM 0 HA LEU A 110 6.431 1.067 -4.090 1.00 24.42 H new ATOM 0 HB2 LEU A 110 8.741 -0.347 -5.504 1.00 4.13 H new ATOM 0 HB3 LEU A 110 8.894 1.066 -4.478 1.00 4.13 H new ATOM 0 HG LEU A 110 7.923 -1.658 -3.547 1.00 42.43 H new ATOM 0 HD11 LEU A 110 10.102 -1.830 -2.410 1.00 43.24 H new ATOM 0 HD12 LEU A 110 10.282 -1.732 -4.178 1.00 43.24 H new ATOM 0 HD13 LEU A 110 10.613 -0.304 -3.169 1.00 43.24 H new ATOM 0 HD21 LEU A 110 8.202 -0.719 -1.278 1.00 31.40 H new ATOM 0 HD22 LEU A 110 8.622 0.857 -1.989 1.00 31.40 H new ATOM 0 HD23 LEU A 110 6.992 0.182 -2.222 1.00 31.40 H new ATOM 1208 N PHE A 111 6.505 2.730 -5.933 1.00 54.11 N ATOM 1209 CA PHE A 111 6.411 3.718 -7.016 1.00 64.54 C ATOM 1210 C PHE A 111 7.444 4.844 -6.871 1.00 55.21 C ATOM 1211 O PHE A 111 7.715 5.333 -5.772 1.00 50.11 O ATOM 1212 CB PHE A 111 5.003 4.323 -7.062 1.00 72.53 C ATOM 1213 CG PHE A 111 3.927 3.310 -7.341 1.00 33.11 C ATOM 1214 CD1 PHE A 111 3.736 2.825 -8.627 1.00 53.33 C ATOM 1215 CD2 PHE A 111 3.115 2.835 -6.322 1.00 0.12 C ATOM 1216 CE1 PHE A 111 2.759 1.888 -8.890 1.00 55.34 C ATOM 1217 CE2 PHE A 111 2.138 1.899 -6.581 1.00 23.42 C ATOM 1218 CZ PHE A 111 1.959 1.424 -7.865 1.00 75.22 C ATOM 0 H PHE A 111 6.310 3.107 -5.006 1.00 54.11 H new ATOM 0 HA PHE A 111 6.621 3.190 -7.946 1.00 64.54 H new ATOM 0 HB2 PHE A 111 4.794 4.811 -6.110 1.00 72.53 H new ATOM 0 HB3 PHE A 111 4.972 5.096 -7.830 1.00 72.53 H new ATOM 0 HD1 PHE A 111 4.360 3.186 -9.431 1.00 53.33 H new ATOM 0 HD2 PHE A 111 3.250 3.203 -5.315 1.00 0.12 H new ATOM 0 HE1 PHE A 111 2.620 1.518 -9.895 1.00 55.34 H new ATOM 0 HE2 PHE A 111 1.512 1.537 -5.779 1.00 23.42 H new ATOM 0 HZ PHE A 111 1.193 0.690 -8.067 1.00 75.22 H new ATOM 1228 N ARG A 112 8.010 5.250 -8.004 1.00 30.22 N ATOM 1229 CA ARG A 112 8.962 6.365 -8.055 1.00 44.44 C ATOM 1230 C ARG A 112 8.224 7.716 -8.137 1.00 21.21 C ATOM 1231 O ARG A 112 7.745 8.108 -9.202 1.00 0.11 O ATOM 1232 CB ARG A 112 9.879 6.188 -9.273 1.00 62.21 C ATOM 1233 CG ARG A 112 10.698 4.897 -9.244 1.00 42.40 C ATOM 1234 CD ARG A 112 11.292 4.571 -10.611 1.00 45.52 C ATOM 1235 NE ARG A 112 12.095 5.669 -11.142 1.00 30.54 N ATOM 1236 CZ ARG A 112 11.942 6.180 -12.336 1.00 60.12 C ATOM 1237 NH1 ARG A 112 11.028 5.729 -13.139 1.00 42.42 N ATOM 1238 NH2 ARG A 112 12.707 7.144 -12.728 1.00 1.42 N ATOM 0 H ARG A 112 7.826 4.821 -8.911 1.00 30.22 H new ATOM 0 HA ARG A 112 9.558 6.364 -7.142 1.00 44.44 H new ATOM 0 HB2 ARG A 112 9.272 6.203 -10.178 1.00 62.21 H new ATOM 0 HB3 ARG A 112 10.559 7.038 -9.331 1.00 62.21 H new ATOM 0 HG2 ARG A 112 11.500 4.992 -8.513 1.00 42.40 H new ATOM 0 HG3 ARG A 112 10.065 4.072 -8.917 1.00 42.40 H new ATOM 0 HD2 ARG A 112 11.910 3.677 -10.532 1.00 45.52 H new ATOM 0 HD3 ARG A 112 10.487 4.342 -11.309 1.00 45.52 H new ATOM 0 HE ARG A 112 12.821 6.062 -10.544 1.00 30.54 H new ATOM 0 HH11 ARG A 112 10.418 4.967 -12.841 1.00 42.42 H new ATOM 0 HH12 ARG A 112 10.919 6.136 -14.068 1.00 42.42 H new ATOM 0 HH21 ARG A 112 13.430 7.506 -12.106 1.00 1.42 H new ATOM 0 HH22 ARG A 112 12.588 7.543 -13.659 1.00 1.42 H new ATOM 1252 N ALA A 113 8.113 8.407 -7.002 1.00 4.53 N ATOM 1253 CA ALA A 113 7.409 9.696 -6.942 1.00 64.02 C ATOM 1254 C ALA A 113 8.388 10.879 -6.834 1.00 61.14 C ATOM 1255 O ALA A 113 9.465 10.757 -6.245 1.00 12.53 O ATOM 1256 CB ALA A 113 6.432 9.707 -5.767 1.00 61.21 C ATOM 0 H ALA A 113 8.500 8.099 -6.110 1.00 4.53 H new ATOM 0 HA ALA A 113 6.854 9.814 -7.873 1.00 64.02 H new ATOM 0 HB1 ALA A 113 5.916 10.666 -5.732 1.00 61.21 H new ATOM 0 HB2 ALA A 113 5.702 8.907 -5.893 1.00 61.21 H new ATOM 0 HB3 ALA A 113 6.980 9.555 -4.837 1.00 61.21 H new ATOM 1301 N ARG A 118 10.156 7.416 -1.935 1.00 13.45 N ATOM 1302 CA ARG A 118 9.687 6.036 -2.119 1.00 2.42 C ATOM 1303 C ARG A 118 8.228 5.865 -1.667 1.00 51.22 C ATOM 1304 O ARG A 118 7.924 5.888 -0.472 1.00 3.33 O ATOM 1305 CB ARG A 118 10.594 5.061 -1.357 1.00 4.22 C ATOM 1306 CG ARG A 118 11.988 4.919 -1.965 1.00 23.43 C ATOM 1307 CD ARG A 118 11.926 4.343 -3.372 1.00 24.31 C ATOM 1308 NE ARG A 118 13.254 4.173 -3.959 1.00 0.32 N ATOM 1309 CZ ARG A 118 13.844 3.019 -4.118 1.00 35.24 C ATOM 1310 NH1 ARG A 118 13.304 1.933 -3.671 1.00 2.15 N ATOM 1311 NH2 ARG A 118 14.992 2.951 -4.703 1.00 60.14 N ATOM 0 HA ARG A 118 9.732 5.812 -3.185 1.00 2.42 H new ATOM 0 HB2 ARG A 118 10.690 5.398 -0.325 1.00 4.22 H new ATOM 0 HB3 ARG A 118 10.117 4.081 -1.329 1.00 4.22 H new ATOM 0 HG2 ARG A 118 12.476 5.893 -1.991 1.00 23.43 H new ATOM 0 HG3 ARG A 118 12.598 4.274 -1.333 1.00 23.43 H new ATOM 0 HD2 ARG A 118 11.416 3.380 -3.346 1.00 24.31 H new ATOM 0 HD3 ARG A 118 11.332 5.001 -4.006 1.00 24.31 H new ATOM 0 HE ARG A 118 13.752 5.010 -4.264 1.00 0.32 H new ATOM 0 HH11 ARG A 118 12.407 1.971 -3.188 1.00 2.15 H new ATOM 0 HH12 ARG A 118 13.775 1.038 -3.802 1.00 2.15 H new ATOM 0 HH21 ARG A 118 15.442 3.801 -5.043 1.00 60.14 H new ATOM 0 HH22 ARG A 118 15.449 2.048 -4.825 1.00 60.14 H new ATOM 1325 N HIS A 119 7.333 5.694 -2.635 1.00 71.32 N ATOM 1326 CA HIS A 119 5.910 5.482 -2.355 1.00 75.12 C ATOM 1327 C HIS A 119 5.563 3.985 -2.414 1.00 2.54 C ATOM 1328 O HIS A 119 6.169 3.233 -3.176 1.00 54.51 O ATOM 1329 CB HIS A 119 5.067 6.272 -3.366 1.00 10.01 C ATOM 1330 CG HIS A 119 3.593 6.224 -3.098 1.00 71.44 C ATOM 1331 ND1 HIS A 119 3.011 7.040 -2.160 1.00 71.40 N ATOM 1332 CD2 HIS A 119 2.637 5.454 -3.667 1.00 72.42 C ATOM 1333 CE1 HIS A 119 1.725 6.752 -2.180 1.00 34.31 C ATOM 1334 NE2 HIS A 119 1.450 5.797 -3.076 1.00 23.14 N ATOM 0 H HIS A 119 7.567 5.698 -3.628 1.00 71.32 H new ATOM 0 HA HIS A 119 5.688 5.838 -1.349 1.00 75.12 H new ATOM 0 HB2 HIS A 119 5.393 7.312 -3.362 1.00 10.01 H new ATOM 0 HB3 HIS A 119 5.257 5.882 -4.366 1.00 10.01 H new ATOM 0 HD2 HIS A 119 2.782 4.712 -4.438 1.00 72.42 H new ATOM 0 HE1 HIS A 119 0.986 7.227 -1.552 1.00 34.31 H new ATOM 0 HE2 HIS A 119 0.533 5.401 -3.280 1.00 23.14 H new ATOM 1342 N VAL A 120 4.595 3.556 -1.604 1.00 23.21 N ATOM 1343 CA VAL A 120 4.194 2.144 -1.566 1.00 30.22 C ATOM 1344 C VAL A 120 2.663 1.980 -1.558 1.00 34.33 C ATOM 1345 O VAL A 120 1.942 2.763 -0.934 1.00 21.54 O ATOM 1346 CB VAL A 120 4.797 1.418 -0.331 1.00 75.12 C ATOM 1347 CG1 VAL A 120 4.313 2.050 0.972 1.00 1.42 C ATOM 1348 CG2 VAL A 120 4.482 -0.078 -0.364 1.00 34.11 C ATOM 0 H VAL A 120 4.075 4.160 -0.968 1.00 23.21 H new ATOM 0 HA VAL A 120 4.586 1.688 -2.475 1.00 30.22 H new ATOM 0 HB VAL A 120 5.880 1.534 -0.375 1.00 75.12 H new ATOM 0 HG11 VAL A 120 4.752 1.521 1.818 1.00 1.42 H new ATOM 0 HG12 VAL A 120 4.615 3.097 1.003 1.00 1.42 H new ATOM 0 HG13 VAL A 120 3.226 1.984 1.027 1.00 1.42 H new ATOM 0 HG21 VAL A 120 4.916 -0.561 0.512 1.00 34.11 H new ATOM 0 HG22 VAL A 120 3.402 -0.223 -0.360 1.00 34.11 H new ATOM 0 HG23 VAL A 120 4.904 -0.519 -1.267 1.00 34.11 H new ATOM 1358 N GLY A 121 2.176 0.963 -2.268 1.00 43.02 N ATOM 1359 CA GLY A 121 0.747 0.664 -2.284 1.00 44.24 C ATOM 1360 C GLY A 121 0.458 -0.819 -2.088 1.00 10.03 C ATOM 1361 O GLY A 121 1.303 -1.667 -2.380 1.00 3.32 O ATOM 0 H GLY A 121 2.747 0.337 -2.836 1.00 43.02 H new ATOM 0 HA2 GLY A 121 0.251 1.234 -1.498 1.00 44.24 H new ATOM 0 HA3 GLY A 121 0.321 0.991 -3.233 1.00 44.24 H new ATOM 1365 N ILE A 122 -0.733 -1.139 -1.597 1.00 73.23 N ATOM 1366 CA ILE A 122 -1.111 -2.534 -1.341 1.00 22.15 C ATOM 1367 C ILE A 122 -1.890 -3.121 -2.529 1.00 73.40 C ATOM 1368 O ILE A 122 -3.058 -2.783 -2.739 1.00 41.32 O ATOM 1369 CB ILE A 122 -1.982 -2.652 -0.066 1.00 23.11 C ATOM 1370 CG1 ILE A 122 -1.376 -1.830 1.085 1.00 12.05 C ATOM 1371 CG2 ILE A 122 -2.127 -4.119 0.339 1.00 54.53 C ATOM 1372 CD1 ILE A 122 -2.236 -1.798 2.334 1.00 41.54 C ATOM 0 H ILE A 122 -1.456 -0.457 -1.367 1.00 73.23 H new ATOM 0 HA ILE A 122 -0.187 -3.095 -1.200 1.00 22.15 H new ATOM 0 HB ILE A 122 -2.972 -2.251 -0.284 1.00 23.11 H new ATOM 0 HG12 ILE A 122 -0.399 -2.242 1.338 1.00 12.05 H new ATOM 0 HG13 ILE A 122 -1.212 -0.808 0.742 1.00 12.05 H new ATOM 0 HG21 ILE A 122 -2.741 -4.190 1.237 1.00 54.53 H new ATOM 0 HG22 ILE A 122 -2.601 -4.675 -0.470 1.00 54.53 H new ATOM 0 HG23 ILE A 122 -1.142 -4.540 0.540 1.00 54.53 H new ATOM 0 HD11 ILE A 122 -1.743 -1.200 3.100 1.00 41.54 H new ATOM 0 HD12 ILE A 122 -3.205 -1.358 2.098 1.00 41.54 H new ATOM 0 HD13 ILE A 122 -2.380 -2.814 2.703 1.00 41.54 H new ATOM 1384 N TYR A 123 -1.241 -3.994 -3.303 1.00 23.13 N ATOM 1385 CA TYR A 123 -1.870 -4.604 -4.483 1.00 64.01 C ATOM 1386 C TYR A 123 -3.061 -5.491 -4.082 1.00 15.21 C ATOM 1387 O TYR A 123 -2.888 -6.523 -3.429 1.00 65.23 O ATOM 1388 CB TYR A 123 -0.832 -5.428 -5.265 1.00 12.14 C ATOM 1389 CG TYR A 123 -1.304 -5.890 -6.638 1.00 60.24 C ATOM 1390 CD1 TYR A 123 -2.093 -7.025 -6.782 1.00 2.14 C ATOM 1391 CD2 TYR A 123 -0.952 -5.189 -7.787 1.00 14.01 C ATOM 1392 CE1 TYR A 123 -2.516 -7.448 -8.027 1.00 44.45 C ATOM 1393 CE2 TYR A 123 -1.375 -5.606 -9.036 1.00 3.31 C ATOM 1394 CZ TYR A 123 -2.156 -6.736 -9.149 1.00 32.02 C ATOM 1395 OH TYR A 123 -2.579 -7.157 -10.389 1.00 24.34 O ATOM 0 H TYR A 123 -0.281 -4.296 -3.136 1.00 23.13 H new ATOM 0 HA TYR A 123 -2.247 -3.804 -5.120 1.00 64.01 H new ATOM 0 HB2 TYR A 123 0.072 -4.831 -5.386 1.00 12.14 H new ATOM 0 HB3 TYR A 123 -0.560 -6.302 -4.674 1.00 12.14 H new ATOM 0 HD1 TYR A 123 -2.380 -7.586 -5.905 1.00 2.14 H new ATOM 0 HD2 TYR A 123 -0.338 -4.304 -7.702 1.00 14.01 H new ATOM 0 HE1 TYR A 123 -3.127 -8.334 -8.120 1.00 44.45 H new ATOM 0 HE2 TYR A 123 -1.095 -5.049 -9.918 1.00 3.31 H new ATOM 0 HH TYR A 123 -3.301 -7.811 -10.284 1.00 24.34 H new ATOM 1405 N ILE A 124 -4.271 -5.083 -4.470 1.00 72.53 N ATOM 1406 CA ILE A 124 -5.484 -5.834 -4.123 1.00 64.12 C ATOM 1407 C ILE A 124 -5.956 -6.744 -5.271 1.00 45.32 C ATOM 1408 O ILE A 124 -6.597 -7.770 -5.029 1.00 74.01 O ATOM 1409 CB ILE A 124 -6.642 -4.894 -3.690 1.00 52.31 C ATOM 1410 CG1 ILE A 124 -7.051 -3.958 -4.843 1.00 55.14 C ATOM 1411 CG2 ILE A 124 -6.237 -4.087 -2.453 1.00 24.41 C ATOM 1412 CD1 ILE A 124 -8.190 -3.017 -4.503 1.00 53.21 C ATOM 0 H ILE A 124 -4.439 -4.242 -5.022 1.00 72.53 H new ATOM 0 HA ILE A 124 -5.212 -6.466 -3.277 1.00 64.12 H new ATOM 0 HB ILE A 124 -7.506 -5.508 -3.435 1.00 52.31 H new ATOM 0 HG12 ILE A 124 -6.184 -3.369 -5.143 1.00 55.14 H new ATOM 0 HG13 ILE A 124 -7.338 -4.563 -5.703 1.00 55.14 H new ATOM 0 HG21 ILE A 124 -7.058 -3.432 -2.161 1.00 24.41 H new ATOM 0 HG22 ILE A 124 -6.006 -4.768 -1.634 1.00 24.41 H new ATOM 0 HG23 ILE A 124 -5.358 -3.485 -2.683 1.00 24.41 H new ATOM 0 HD11 ILE A 124 -8.417 -2.393 -5.367 1.00 53.21 H new ATOM 0 HD12 ILE A 124 -9.073 -3.597 -4.233 1.00 53.21 H new ATOM 0 HD13 ILE A 124 -7.901 -2.384 -3.664 1.00 53.21 H new ATOM 1424 N GLY A 125 -5.645 -6.373 -6.517 1.00 64.21 N ATOM 1425 CA GLY A 125 -5.998 -7.226 -7.656 1.00 33.12 C ATOM 1426 C GLY A 125 -6.187 -6.469 -8.973 1.00 0.35 C ATOM 1427 O GLY A 125 -6.670 -5.338 -8.984 1.00 51.31 O ATOM 0 H GLY A 125 -5.161 -5.509 -6.760 1.00 64.21 H new ATOM 0 HA2 GLY A 125 -5.218 -7.975 -7.790 1.00 33.12 H new ATOM 0 HA3 GLY A 125 -6.918 -7.762 -7.423 1.00 33.12 H new ATOM 1431 N ASN A 126 -5.796 -7.107 -10.081 1.00 23.13 N ATOM 1432 CA ASN A 126 -6.002 -6.565 -11.439 1.00 21.22 C ATOM 1433 C ASN A 126 -5.469 -5.125 -11.584 1.00 54.41 C ATOM 1434 O ASN A 126 -6.195 -4.222 -12.013 1.00 44.45 O ATOM 1435 CB ASN A 126 -7.491 -6.619 -11.812 1.00 10.31 C ATOM 1436 CG ASN A 126 -8.065 -8.026 -11.773 1.00 11.21 C ATOM 1437 OD1 ASN A 126 -7.669 -8.858 -10.960 1.00 52.43 O ATOM 1438 ND2 ASN A 126 -8.993 -8.312 -12.659 1.00 55.34 N ATOM 0 H ASN A 126 -5.328 -8.013 -10.068 1.00 23.13 H new ATOM 0 HA ASN A 126 -5.432 -7.191 -12.125 1.00 21.22 H new ATOM 0 HB2 ASN A 126 -8.054 -5.984 -11.128 1.00 10.31 H new ATOM 0 HB3 ASN A 126 -7.624 -6.206 -12.812 1.00 10.31 H new ATOM 0 HD21 ASN A 126 -9.404 -9.245 -12.684 1.00 55.34 H new ATOM 0 HD22 ASN A 126 -9.302 -7.601 -13.322 1.00 55.34 H new ATOM 1445 N ASN A 127 -4.199 -4.926 -11.224 1.00 45.51 N ATOM 1446 CA ASN A 127 -3.542 -3.604 -11.294 1.00 52.54 C ATOM 1447 C ASN A 127 -4.127 -2.583 -10.300 1.00 24.10 C ATOM 1448 O ASN A 127 -3.607 -1.476 -10.181 1.00 2.23 O ATOM 1449 CB ASN A 127 -3.582 -3.034 -12.723 1.00 70.41 C ATOM 1450 CG ASN A 127 -2.684 -3.807 -13.672 1.00 73.14 C ATOM 1451 OD1 ASN A 127 -1.515 -3.479 -13.841 1.00 11.45 O ATOM 1452 ND2 ASN A 127 -3.214 -4.839 -14.292 1.00 71.53 N ATOM 0 H ASN A 127 -3.593 -5.669 -10.876 1.00 45.51 H new ATOM 0 HA ASN A 127 -2.504 -3.773 -11.006 1.00 52.54 H new ATOM 0 HB2 ASN A 127 -4.607 -3.058 -13.094 1.00 70.41 H new ATOM 0 HB3 ASN A 127 -3.274 -1.988 -12.704 1.00 70.41 H new ATOM 0 HD21 ASN A 127 -2.649 -5.393 -14.936 1.00 71.53 H new ATOM 0 HD22 ASN A 127 -4.190 -5.085 -14.129 1.00 71.53 H new ATOM 1459 N GLN A 128 -5.190 -2.948 -9.583 1.00 74.45 N ATOM 1460 CA GLN A 128 -5.770 -2.062 -8.567 1.00 73.52 C ATOM 1461 C GLN A 128 -5.083 -2.254 -7.213 1.00 41.34 C ATOM 1462 O GLN A 128 -4.703 -3.369 -6.839 1.00 54.35 O ATOM 1463 CB GLN A 128 -7.285 -2.288 -8.430 1.00 23.13 C ATOM 1464 CG GLN A 128 -8.071 -1.898 -9.675 1.00 53.23 C ATOM 1465 CD GLN A 128 -9.575 -1.874 -9.461 1.00 21.24 C ATOM 1466 OE1 GLN A 128 -10.285 -1.087 -10.080 1.00 22.44 O ATOM 1467 NE2 GLN A 128 -10.076 -2.731 -8.593 1.00 71.44 N ATOM 0 H GLN A 128 -5.666 -3.844 -9.684 1.00 74.45 H new ATOM 0 HA GLN A 128 -5.605 -1.036 -8.897 1.00 73.52 H new ATOM 0 HB2 GLN A 128 -7.469 -3.339 -8.208 1.00 23.13 H new ATOM 0 HB3 GLN A 128 -7.655 -1.713 -7.581 1.00 23.13 H new ATOM 0 HG2 GLN A 128 -7.744 -0.913 -10.007 1.00 53.23 H new ATOM 0 HG3 GLN A 128 -7.837 -2.599 -10.477 1.00 53.23 H new ATOM 0 HE21 GLN A 128 -9.459 -3.372 -8.095 1.00 71.44 H new ATOM 0 HE22 GLN A 128 -11.081 -2.753 -8.420 1.00 71.44 H new ATOM 1476 N PHE A 129 -4.928 -1.155 -6.483 1.00 12.20 N ATOM 1477 CA PHE A 129 -4.251 -1.174 -5.182 1.00 44.32 C ATOM 1478 C PHE A 129 -4.691 0.006 -4.300 1.00 22.32 C ATOM 1479 O PHE A 129 -5.017 1.085 -4.798 1.00 41.44 O ATOM 1480 CB PHE A 129 -2.725 -1.152 -5.377 1.00 23.31 C ATOM 1481 CG PHE A 129 -2.241 -0.050 -6.280 1.00 34.41 C ATOM 1482 CD1 PHE A 129 -2.263 -0.213 -7.656 1.00 74.00 C ATOM 1483 CD2 PHE A 129 -1.770 1.147 -5.761 1.00 14.21 C ATOM 1484 CE1 PHE A 129 -1.828 0.788 -8.493 1.00 74.13 C ATOM 1485 CE2 PHE A 129 -1.333 2.155 -6.599 1.00 73.22 C ATOM 1486 CZ PHE A 129 -1.362 1.975 -7.968 1.00 62.34 C ATOM 0 H PHE A 129 -5.262 -0.234 -6.768 1.00 12.20 H new ATOM 0 HA PHE A 129 -4.534 -2.095 -4.672 1.00 44.32 H new ATOM 0 HB2 PHE A 129 -2.246 -1.047 -4.404 1.00 23.31 H new ATOM 0 HB3 PHE A 129 -2.407 -2.110 -5.787 1.00 23.31 H new ATOM 0 HD1 PHE A 129 -2.627 -1.139 -8.077 1.00 74.00 H new ATOM 0 HD2 PHE A 129 -1.745 1.293 -4.691 1.00 14.21 H new ATOM 0 HE1 PHE A 129 -1.851 0.644 -9.563 1.00 74.13 H new ATOM 0 HE2 PHE A 129 -0.969 3.083 -6.184 1.00 73.22 H new ATOM 0 HZ PHE A 129 -1.021 2.761 -8.625 1.00 62.34 H new ATOM 1496 N VAL A 130 -4.691 -0.212 -2.989 1.00 71.32 N ATOM 1497 CA VAL A 130 -5.061 0.831 -2.024 1.00 1.14 C ATOM 1498 C VAL A 130 -3.809 1.435 -1.364 1.00 12.22 C ATOM 1499 O VAL A 130 -2.875 0.714 -1.004 1.00 72.31 O ATOM 1500 CB VAL A 130 -6.023 0.278 -0.939 1.00 43.21 C ATOM 1501 CG1 VAL A 130 -5.378 -0.867 -0.159 1.00 24.21 C ATOM 1502 CG2 VAL A 130 -6.482 1.394 -0.003 1.00 13.23 C ATOM 0 H VAL A 130 -4.438 -1.104 -2.564 1.00 71.32 H new ATOM 0 HA VAL A 130 -5.580 1.617 -2.573 1.00 1.14 H new ATOM 0 HB VAL A 130 -6.903 -0.123 -1.442 1.00 43.21 H new ATOM 0 HG11 VAL A 130 -6.076 -1.233 0.594 1.00 24.21 H new ATOM 0 HG12 VAL A 130 -5.125 -1.676 -0.844 1.00 24.21 H new ATOM 0 HG13 VAL A 130 -4.472 -0.509 0.330 1.00 24.21 H new ATOM 0 HG21 VAL A 130 -7.155 0.984 0.750 1.00 13.23 H new ATOM 0 HG22 VAL A 130 -5.615 1.836 0.488 1.00 13.23 H new ATOM 0 HG23 VAL A 130 -7.003 2.160 -0.578 1.00 13.23 H new ATOM 1512 N HIS A 131 -3.788 2.758 -1.214 1.00 65.34 N ATOM 1513 CA HIS A 131 -2.599 3.456 -0.707 1.00 40.45 C ATOM 1514 C HIS A 131 -2.913 4.902 -0.309 1.00 55.23 C ATOM 1515 O HIS A 131 -3.928 5.466 -0.713 1.00 33.00 O ATOM 1516 CB HIS A 131 -1.507 3.457 -1.785 1.00 43.11 C ATOM 1517 CG HIS A 131 -1.906 4.179 -3.040 1.00 63.12 C ATOM 1518 ND1 HIS A 131 -1.239 5.299 -3.469 1.00 62.22 N ATOM 1519 CD2 HIS A 131 -2.899 3.898 -3.919 1.00 53.31 C ATOM 1520 CE1 HIS A 131 -1.830 5.668 -4.588 1.00 64.52 C ATOM 1521 NE2 HIS A 131 -2.841 4.851 -4.902 1.00 13.44 N ATOM 0 H HIS A 131 -4.574 3.369 -1.434 1.00 65.34 H new ATOM 0 HA HIS A 131 -2.257 2.926 0.182 1.00 40.45 H new ATOM 0 HB2 HIS A 131 -0.607 3.920 -1.379 1.00 43.11 H new ATOM 0 HB3 HIS A 131 -1.251 2.427 -2.033 1.00 43.11 H new ATOM 0 HD2 HIS A 131 -3.601 3.080 -3.857 1.00 53.31 H new ATOM 0 HE1 HIS A 131 -1.535 6.523 -5.178 1.00 64.52 H new ATOM 0 HE2 HIS A 131 -3.451 4.923 -5.716 1.00 13.44 H new ATOM 1529 N ALA A 132 -2.026 5.499 0.486 1.00 35.25 N ATOM 1530 CA ALA A 132 -2.128 6.921 0.814 1.00 75.41 C ATOM 1531 C ALA A 132 -1.380 7.764 -0.230 1.00 51.01 C ATOM 1532 O ALA A 132 -0.193 8.058 -0.079 1.00 65.34 O ATOM 1533 CB ALA A 132 -1.593 7.191 2.217 1.00 14.24 C ATOM 0 H ALA A 132 -1.232 5.023 0.913 1.00 35.25 H new ATOM 0 HA ALA A 132 -3.180 7.207 0.796 1.00 75.41 H new ATOM 0 HB1 ALA A 132 -1.678 8.254 2.441 1.00 14.24 H new ATOM 0 HB2 ALA A 132 -2.172 6.620 2.943 1.00 14.24 H new ATOM 0 HB3 ALA A 132 -0.546 6.892 2.271 1.00 14.24 H new ATOM 1539 N SER A 133 -2.082 8.108 -1.307 1.00 21.35 N ATOM 1540 CA SER A 133 -1.506 8.893 -2.409 1.00 55.22 C ATOM 1541 C SER A 133 -0.963 10.250 -1.942 1.00 22.43 C ATOM 1542 O SER A 133 -1.627 10.977 -1.202 1.00 34.34 O ATOM 1543 CB SER A 133 -2.560 9.125 -3.501 1.00 74.20 C ATOM 1544 OG SER A 133 -2.088 10.025 -4.499 1.00 14.10 O ATOM 0 H SER A 133 -3.060 7.855 -1.445 1.00 21.35 H new ATOM 0 HA SER A 133 -0.671 8.315 -2.804 1.00 55.22 H new ATOM 0 HB2 SER A 133 -2.823 8.173 -3.963 1.00 74.20 H new ATOM 0 HB3 SER A 133 -3.470 9.523 -3.051 1.00 74.20 H new ATOM 0 HG SER A 133 -2.781 10.151 -5.180 1.00 14.10 H new ATOM 1550 N THR A 134 0.236 10.594 -2.406 1.00 51.24 N ATOM 1551 CA THR A 134 0.868 11.881 -2.079 1.00 31.32 C ATOM 1552 C THR A 134 -0.015 13.070 -2.485 1.00 14.42 C ATOM 1553 O THR A 134 -0.054 14.097 -1.803 1.00 20.13 O ATOM 1554 CB THR A 134 2.239 12.029 -2.783 1.00 33.21 C ATOM 1555 OG1 THR A 134 2.064 11.962 -4.207 1.00 14.22 O ATOM 1556 CG2 THR A 134 3.215 10.942 -2.331 1.00 60.12 C ATOM 0 H THR A 134 0.797 9.998 -3.015 1.00 51.24 H new ATOM 0 HA THR A 134 1.005 11.887 -0.998 1.00 31.32 H new ATOM 0 HB THR A 134 2.658 12.997 -2.509 1.00 33.21 H new ATOM 0 HG1 THR A 134 2.934 12.058 -4.648 1.00 14.22 H new ATOM 0 HG21 THR A 134 4.168 11.073 -2.843 1.00 60.12 H new ATOM 0 HG22 THR A 134 3.368 11.016 -1.254 1.00 60.12 H new ATOM 0 HG23 THR A 134 2.805 9.961 -2.573 1.00 60.12 H new ATOM 1564 N SER A 135 -0.723 12.923 -3.602 1.00 44.20 N ATOM 1565 CA SER A 135 -1.570 13.998 -4.145 1.00 55.41 C ATOM 1566 C SER A 135 -2.981 14.011 -3.530 1.00 23.50 C ATOM 1567 O SER A 135 -3.460 15.052 -3.069 1.00 41.31 O ATOM 1568 CB SER A 135 -1.684 13.860 -5.670 1.00 62.43 C ATOM 1569 OG SER A 135 -2.585 14.813 -6.212 1.00 40.43 O ATOM 0 H SER A 135 -0.731 12.067 -4.156 1.00 44.20 H new ATOM 0 HA SER A 135 -1.088 14.940 -3.884 1.00 55.41 H new ATOM 0 HB2 SER A 135 -0.701 13.989 -6.123 1.00 62.43 H new ATOM 0 HB3 SER A 135 -2.021 12.854 -5.921 1.00 62.43 H new ATOM 0 HG SER A 135 -2.634 14.700 -7.184 1.00 40.43 H new ATOM 1575 N SER A 136 -3.649 12.856 -3.525 1.00 61.12 N ATOM 1576 CA SER A 136 -5.063 12.779 -3.099 1.00 15.40 C ATOM 1577 C SER A 136 -5.233 12.302 -1.649 1.00 14.41 C ATOM 1578 O SER A 136 -6.142 12.745 -0.949 1.00 23.44 O ATOM 1579 CB SER A 136 -5.851 11.839 -4.028 1.00 42.44 C ATOM 1580 OG SER A 136 -5.873 12.323 -5.365 1.00 0.53 O ATOM 0 H SER A 136 -3.245 11.963 -3.807 1.00 61.12 H new ATOM 0 HA SER A 136 -5.453 13.795 -3.160 1.00 15.40 H new ATOM 0 HB2 SER A 136 -5.403 10.846 -4.007 1.00 42.44 H new ATOM 0 HB3 SER A 136 -6.872 11.735 -3.661 1.00 42.44 H new ATOM 0 HG SER A 136 -6.380 11.702 -5.929 1.00 0.53 H new ATOM 1586 N GLY A 137 -4.365 11.403 -1.199 1.00 71.44 N ATOM 1587 CA GLY A 137 -4.537 10.779 0.112 1.00 4.03 C ATOM 1588 C GLY A 137 -4.928 9.307 0.008 1.00 63.43 C ATOM 1589 O GLY A 137 -4.690 8.672 -1.022 1.00 33.41 O ATOM 0 H GLY A 137 -3.542 11.091 -1.715 1.00 71.44 H new ATOM 0 HA2 GLY A 137 -3.610 10.867 0.678 1.00 4.03 H new ATOM 0 HA3 GLY A 137 -5.303 11.317 0.670 1.00 4.03 H new ATOM 1593 N VAL A 138 -5.524 8.760 1.065 1.00 13.14 N ATOM 1594 CA VAL A 138 -5.932 7.348 1.083 1.00 23.12 C ATOM 1595 C VAL A 138 -7.002 7.047 0.012 1.00 62.25 C ATOM 1596 O VAL A 138 -8.183 7.374 0.174 1.00 11.22 O ATOM 1597 CB VAL A 138 -6.454 6.930 2.481 1.00 34.22 C ATOM 1598 CG1 VAL A 138 -6.911 5.471 2.485 1.00 42.31 C ATOM 1599 CG2 VAL A 138 -5.382 7.160 3.546 1.00 72.00 C ATOM 0 H VAL A 138 -5.737 9.269 1.923 1.00 13.14 H new ATOM 0 HA VAL A 138 -5.043 6.762 0.851 1.00 23.12 H new ATOM 0 HB VAL A 138 -7.316 7.553 2.718 1.00 34.22 H new ATOM 0 HG11 VAL A 138 -7.272 5.206 3.479 1.00 42.31 H new ATOM 0 HG12 VAL A 138 -7.714 5.339 1.760 1.00 42.31 H new ATOM 0 HG13 VAL A 138 -6.073 4.827 2.219 1.00 42.31 H new ATOM 0 HG21 VAL A 138 -5.767 6.861 4.521 1.00 72.00 H new ATOM 0 HG22 VAL A 138 -4.499 6.567 3.307 1.00 72.00 H new ATOM 0 HG23 VAL A 138 -5.114 8.216 3.571 1.00 72.00 H new ATOM 1609 N ILE A 139 -6.565 6.430 -1.090 1.00 0.15 N ATOM 1610 CA ILE A 139 -7.445 6.103 -2.222 1.00 45.50 C ATOM 1611 C ILE A 139 -7.095 4.734 -2.837 1.00 32.31 C ATOM 1612 O ILE A 139 -6.187 4.038 -2.371 1.00 1.44 O ATOM 1613 CB ILE A 139 -7.337 7.172 -3.347 1.00 44.14 C ATOM 1614 CG1 ILE A 139 -5.911 7.195 -3.931 1.00 70.23 C ATOM 1615 CG2 ILE A 139 -7.729 8.557 -2.831 1.00 43.30 C ATOM 1616 CD1 ILE A 139 -5.752 8.112 -5.127 1.00 40.34 C ATOM 0 H ILE A 139 -5.596 6.143 -1.225 1.00 0.15 H new ATOM 0 HA ILE A 139 -8.459 6.079 -1.823 1.00 45.50 H new ATOM 0 HB ILE A 139 -8.034 6.900 -4.140 1.00 44.14 H new ATOM 0 HG12 ILE A 139 -5.215 7.506 -3.152 1.00 70.23 H new ATOM 0 HG13 ILE A 139 -5.632 6.182 -4.222 1.00 70.23 H new ATOM 0 HG21 ILE A 139 -7.644 9.284 -3.639 1.00 43.30 H new ATOM 0 HG22 ILE A 139 -8.758 8.533 -2.471 1.00 43.30 H new ATOM 0 HG23 ILE A 139 -7.065 8.842 -2.015 1.00 43.30 H new ATOM 0 HD11 ILE A 139 -4.722 8.073 -5.481 1.00 40.34 H new ATOM 0 HD12 ILE A 139 -6.422 7.790 -5.924 1.00 40.34 H new ATOM 0 HD13 ILE A 139 -5.998 9.134 -4.837 1.00 40.34 H new ATOM 1628 N ILE A 140 -7.824 4.358 -3.889 1.00 51.22 N ATOM 1629 CA ILE A 140 -7.502 3.163 -4.683 1.00 52.33 C ATOM 1630 C ILE A 140 -7.261 3.532 -6.157 1.00 12.23 C ATOM 1631 O ILE A 140 -8.199 3.891 -6.876 1.00 5.43 O ATOM 1632 CB ILE A 140 -8.632 2.100 -4.612 1.00 31.32 C ATOM 1633 CG1 ILE A 140 -8.861 1.637 -3.163 1.00 34.14 C ATOM 1634 CG2 ILE A 140 -8.309 0.904 -5.510 1.00 62.43 C ATOM 1635 CD1 ILE A 140 -9.952 0.592 -3.014 1.00 33.33 C ATOM 0 H ILE A 140 -8.647 4.865 -4.215 1.00 51.22 H new ATOM 0 HA ILE A 140 -6.593 2.740 -4.255 1.00 52.33 H new ATOM 0 HB ILE A 140 -9.551 2.563 -4.972 1.00 31.32 H new ATOM 0 HG12 ILE A 140 -7.928 1.232 -2.770 1.00 34.14 H new ATOM 0 HG13 ILE A 140 -9.115 2.503 -2.552 1.00 34.14 H new ATOM 0 HG21 ILE A 140 -9.114 0.172 -5.445 1.00 62.43 H new ATOM 0 HG22 ILE A 140 -8.208 1.241 -6.542 1.00 62.43 H new ATOM 0 HG23 ILE A 140 -7.375 0.446 -5.184 1.00 62.43 H new ATOM 0 HD11 ILE A 140 -10.052 0.318 -1.964 1.00 33.33 H new ATOM 0 HD12 ILE A 140 -10.897 0.998 -3.375 1.00 33.33 H new ATOM 0 HD13 ILE A 140 -9.691 -0.292 -3.596 1.00 33.33 H new ATOM 1647 N SER A 141 -6.007 3.451 -6.600 1.00 55.14 N ATOM 1648 CA SER A 141 -5.661 3.724 -8.007 1.00 44.43 C ATOM 1649 C SER A 141 -5.301 2.424 -8.743 1.00 41.10 C ATOM 1650 O SER A 141 -5.493 1.326 -8.210 1.00 24.33 O ATOM 1651 CB SER A 141 -4.505 4.735 -8.109 1.00 14.24 C ATOM 1652 OG SER A 141 -3.316 4.227 -7.529 1.00 64.23 O ATOM 0 H SER A 141 -5.212 3.200 -6.013 1.00 55.14 H new ATOM 0 HA SER A 141 -6.538 4.161 -8.485 1.00 44.43 H new ATOM 0 HB2 SER A 141 -4.325 4.978 -9.156 1.00 14.24 H new ATOM 0 HB3 SER A 141 -4.787 5.662 -7.610 1.00 14.24 H new ATOM 0 HG SER A 141 -2.983 3.479 -8.067 1.00 64.23 H new ATOM 1658 N SER A 142 -4.799 2.536 -9.974 1.00 44.43 N ATOM 1659 CA SER A 142 -4.530 1.348 -10.798 1.00 32.41 C ATOM 1660 C SER A 142 -3.305 1.538 -11.720 1.00 63.21 C ATOM 1661 O SER A 142 -3.148 2.581 -12.355 1.00 13.14 O ATOM 1662 CB SER A 142 -5.774 1.018 -11.635 1.00 2.11 C ATOM 1663 OG SER A 142 -6.920 0.807 -10.816 1.00 15.42 O ATOM 0 H SER A 142 -4.572 3.424 -10.421 1.00 44.43 H new ATOM 0 HA SER A 142 -4.299 0.521 -10.126 1.00 32.41 H new ATOM 0 HB2 SER A 142 -5.970 1.833 -12.332 1.00 2.11 H new ATOM 0 HB3 SER A 142 -5.585 0.126 -12.232 1.00 2.11 H new ATOM 0 HG SER A 142 -7.720 0.760 -11.379 1.00 15.42 H new ATOM 1669 N MET A 143 -2.446 0.507 -11.802 1.00 2.14 N ATOM 1670 CA MET A 143 -1.201 0.573 -12.597 1.00 42.04 C ATOM 1671 C MET A 143 -1.432 0.392 -14.107 1.00 2.21 C ATOM 1672 O MET A 143 -0.475 0.325 -14.881 1.00 3.40 O ATOM 1673 CB MET A 143 -0.188 -0.473 -12.111 1.00 3.11 C ATOM 1674 CG MET A 143 0.432 -0.155 -10.758 1.00 54.01 C ATOM 1675 SD MET A 143 1.780 -1.274 -10.334 1.00 31.33 S ATOM 1676 CE MET A 143 0.916 -2.840 -10.268 1.00 33.35 C ATOM 0 H MET A 143 -2.589 -0.385 -11.328 1.00 2.14 H new ATOM 0 HA MET A 143 -0.805 1.577 -12.445 1.00 42.04 H new ATOM 0 HB2 MET A 143 -0.682 -1.443 -12.053 1.00 3.11 H new ATOM 0 HB3 MET A 143 0.607 -0.564 -12.851 1.00 3.11 H new ATOM 0 HG2 MET A 143 0.804 0.870 -10.764 1.00 54.01 H new ATOM 0 HG3 MET A 143 -0.337 -0.210 -9.988 1.00 54.01 H new ATOM 0 HE1 MET A 143 1.303 -3.435 -9.440 1.00 33.35 H new ATOM 0 HE2 MET A 143 -0.149 -2.662 -10.120 1.00 33.35 H new ATOM 0 HE3 MET A 143 1.067 -3.379 -11.203 1.00 33.35 H new ATOM 1686 N ASN A 144 -2.689 0.283 -14.524 1.00 34.11 N ATOM 1687 CA ASN A 144 -3.025 0.322 -15.952 1.00 73.10 C ATOM 1688 C ASN A 144 -3.131 1.776 -16.442 1.00 65.14 C ATOM 1689 O ASN A 144 -3.170 2.036 -17.645 1.00 22.34 O ATOM 1690 CB ASN A 144 -4.314 -0.469 -16.276 1.00 75.03 C ATOM 1691 CG ASN A 144 -5.387 -0.369 -15.206 1.00 2.13 C ATOM 1692 OD1 ASN A 144 -5.098 -0.353 -14.023 1.00 13.24 O ATOM 1693 ND2 ASN A 144 -6.636 -0.305 -15.611 1.00 74.35 N ATOM 0 H ASN A 144 -3.490 0.168 -13.903 1.00 34.11 H new ATOM 0 HA ASN A 144 -2.213 -0.169 -16.488 1.00 73.10 H new ATOM 0 HB2 ASN A 144 -4.722 -0.107 -17.220 1.00 75.03 H new ATOM 0 HB3 ASN A 144 -4.057 -1.518 -16.421 1.00 75.03 H new ATOM 0 HD21 ASN A 144 -7.391 -0.240 -14.928 1.00 74.35 H new ATOM 0 HD22 ASN A 144 -6.850 -0.320 -16.608 1.00 74.35 H new ATOM 1700 N GLU A 145 -3.176 2.720 -15.501 1.00 61.54 N ATOM 1701 CA GLU A 145 -3.050 4.146 -15.828 1.00 52.13 C ATOM 1702 C GLU A 145 -1.609 4.476 -16.238 1.00 64.21 C ATOM 1703 O GLU A 145 -0.662 4.027 -15.592 1.00 31.35 O ATOM 1704 CB GLU A 145 -3.466 5.016 -14.633 1.00 22.31 C ATOM 1705 CG GLU A 145 -4.973 5.094 -14.419 1.00 13.41 C ATOM 1706 CD GLU A 145 -5.692 5.788 -15.567 1.00 3.44 C ATOM 1707 OE1 GLU A 145 -5.567 7.027 -15.692 1.00 41.51 O ATOM 1708 OE2 GLU A 145 -6.377 5.103 -16.355 1.00 4.54 O ATOM 0 H GLU A 145 -3.298 2.526 -14.507 1.00 61.54 H new ATOM 0 HA GLU A 145 -3.714 4.362 -16.665 1.00 52.13 H new ATOM 0 HB2 GLU A 145 -3.001 4.621 -13.730 1.00 22.31 H new ATOM 0 HB3 GLU A 145 -3.077 6.024 -14.777 1.00 22.31 H new ATOM 0 HG2 GLU A 145 -5.372 4.087 -14.301 1.00 13.41 H new ATOM 0 HG3 GLU A 145 -5.177 5.628 -13.491 1.00 13.41 H new ATOM 1715 N PRO A 146 -1.418 5.281 -17.301 1.00 44.54 N ATOM 1716 CA PRO A 146 -0.080 5.578 -17.846 1.00 32.25 C ATOM 1717 C PRO A 146 0.913 6.097 -16.789 1.00 3.13 C ATOM 1718 O PRO A 146 2.073 5.675 -16.756 1.00 62.20 O ATOM 1719 CB PRO A 146 -0.351 6.647 -18.922 1.00 13.35 C ATOM 1720 CG PRO A 146 -1.740 7.136 -18.657 1.00 23.11 C ATOM 1721 CD PRO A 146 -2.476 5.971 -18.060 1.00 65.12 C ATOM 0 HA PRO A 146 0.396 4.677 -18.234 1.00 32.25 H new ATOM 0 HB2 PRO A 146 0.371 7.461 -18.857 1.00 13.35 H new ATOM 0 HB3 PRO A 146 -0.267 6.226 -19.924 1.00 13.35 H new ATOM 0 HG2 PRO A 146 -1.732 7.985 -17.974 1.00 23.11 H new ATOM 0 HG3 PRO A 146 -2.219 7.471 -19.577 1.00 23.11 H new ATOM 0 HD2 PRO A 146 -3.293 6.294 -17.415 1.00 65.12 H new ATOM 0 HD3 PRO A 146 -2.910 5.329 -18.827 1.00 65.12 H new ATOM 1729 N TYR A 147 0.449 6.999 -15.921 1.00 43.44 N ATOM 1730 CA TYR A 147 1.296 7.569 -14.864 1.00 71.13 C ATOM 1731 C TYR A 147 1.844 6.479 -13.924 1.00 44.14 C ATOM 1732 O TYR A 147 3.041 6.444 -13.631 1.00 34.12 O ATOM 1733 CB TYR A 147 0.505 8.612 -14.052 1.00 61.40 C ATOM 1734 CG TYR A 147 1.337 9.317 -12.988 1.00 73.42 C ATOM 1735 CD1 TYR A 147 2.188 10.367 -13.324 1.00 73.31 C ATOM 1736 CD2 TYR A 147 1.278 8.925 -11.651 1.00 62.54 C ATOM 1737 CE1 TYR A 147 2.952 11.005 -12.363 1.00 1.11 C ATOM 1738 CE2 TYR A 147 2.043 9.556 -10.686 1.00 20.03 C ATOM 1739 CZ TYR A 147 2.876 10.596 -11.048 1.00 64.31 C ATOM 1740 OH TYR A 147 3.649 11.220 -10.088 1.00 31.42 O ATOM 0 H TYR A 147 -0.508 7.352 -15.927 1.00 43.44 H new ATOM 0 HA TYR A 147 2.145 8.053 -15.347 1.00 71.13 H new ATOM 0 HB2 TYR A 147 0.096 9.357 -14.734 1.00 61.40 H new ATOM 0 HB3 TYR A 147 -0.342 8.121 -13.572 1.00 61.40 H new ATOM 0 HD1 TYR A 147 2.253 10.689 -14.353 1.00 73.31 H new ATOM 0 HD2 TYR A 147 0.624 8.115 -11.364 1.00 62.54 H new ATOM 0 HE1 TYR A 147 3.605 11.819 -12.641 1.00 1.11 H new ATOM 0 HE2 TYR A 147 1.989 9.237 -9.656 1.00 20.03 H new ATOM 0 HH TYR A 147 3.476 10.813 -9.213 1.00 31.42 H new ATOM 1750 N TRP A 148 0.970 5.583 -13.465 1.00 52.32 N ATOM 1751 CA TRP A 148 1.365 4.537 -12.508 1.00 35.33 C ATOM 1752 C TRP A 148 2.090 3.379 -13.204 1.00 10.31 C ATOM 1753 O TRP A 148 3.002 2.772 -12.637 1.00 53.43 O ATOM 1754 CB TRP A 148 0.140 4.009 -11.754 1.00 43.35 C ATOM 1755 CG TRP A 148 -0.554 5.066 -10.939 1.00 1.42 C ATOM 1756 CD1 TRP A 148 -1.709 5.721 -11.254 1.00 75.14 C ATOM 1757 CD2 TRP A 148 -0.125 5.593 -9.677 1.00 42.43 C ATOM 1758 NE1 TRP A 148 -2.023 6.622 -10.266 1.00 31.32 N ATOM 1759 CE2 TRP A 148 -1.064 6.564 -9.288 1.00 71.44 C ATOM 1760 CE3 TRP A 148 0.966 5.339 -8.842 1.00 72.22 C ATOM 1761 CZ2 TRP A 148 -0.948 7.278 -8.095 1.00 64.31 C ATOM 1762 CZ3 TRP A 148 1.082 6.049 -7.662 1.00 25.54 C ATOM 1763 CH2 TRP A 148 0.130 7.009 -7.296 1.00 64.43 C ATOM 0 H TRP A 148 -0.013 5.556 -13.736 1.00 52.32 H new ATOM 0 HA TRP A 148 2.056 4.989 -11.797 1.00 35.33 H new ATOM 0 HB2 TRP A 148 -0.566 3.589 -12.470 1.00 43.35 H new ATOM 0 HB3 TRP A 148 0.448 3.196 -11.096 1.00 43.35 H new ATOM 0 HD1 TRP A 148 -2.291 5.555 -12.149 1.00 75.14 H new ATOM 0 HE1 TRP A 148 -2.838 7.235 -10.261 1.00 31.32 H new ATOM 0 HE3 TRP A 148 1.706 4.601 -9.114 1.00 72.22 H new ATOM 0 HZ2 TRP A 148 -1.683 8.017 -7.812 1.00 64.31 H new ATOM 0 HZ3 TRP A 148 1.922 5.860 -7.010 1.00 25.54 H new ATOM 0 HH2 TRP A 148 0.249 7.546 -6.367 1.00 64.43 H new ATOM 1774 N LYS A 149 1.690 3.092 -14.438 1.00 22.01 N ATOM 1775 CA LYS A 149 2.300 2.019 -15.230 1.00 43.25 C ATOM 1776 C LYS A 149 3.818 2.225 -15.379 1.00 13.30 C ATOM 1777 O LYS A 149 4.591 1.269 -15.335 1.00 61.14 O ATOM 1778 CB LYS A 149 1.636 1.946 -16.616 1.00 74.33 C ATOM 1779 CG LYS A 149 2.060 0.739 -17.451 1.00 13.13 C ATOM 1780 CD LYS A 149 1.388 0.731 -18.827 1.00 62.33 C ATOM 1781 CE LYS A 149 -0.131 0.619 -18.729 1.00 43.35 C ATOM 1782 NZ LYS A 149 -0.775 0.631 -20.068 1.00 21.23 N ATOM 0 H LYS A 149 0.940 3.589 -14.918 1.00 22.01 H new ATOM 0 HA LYS A 149 2.140 1.078 -14.704 1.00 43.25 H new ATOM 0 HB2 LYS A 149 0.554 1.922 -16.487 1.00 74.33 H new ATOM 0 HB3 LYS A 149 1.872 2.856 -17.168 1.00 74.33 H new ATOM 0 HG2 LYS A 149 3.143 0.747 -17.576 1.00 13.13 H new ATOM 0 HG3 LYS A 149 1.807 -0.178 -16.918 1.00 13.13 H new ATOM 0 HD2 LYS A 149 1.649 1.644 -19.362 1.00 62.33 H new ATOM 0 HD3 LYS A 149 1.775 -0.103 -19.413 1.00 62.33 H new ATOM 0 HE2 LYS A 149 -0.394 -0.301 -18.208 1.00 43.35 H new ATOM 0 HE3 LYS A 149 -0.518 1.445 -18.133 1.00 43.35 H new ATOM 0 HZ1 LYS A 149 -1.806 0.553 -19.958 1.00 21.23 H new ATOM 0 HZ2 LYS A 149 -0.545 1.520 -20.556 1.00 21.23 H new ATOM 0 HZ3 LYS A 149 -0.425 -0.172 -20.629 1.00 21.23 H new ATOM 1796 N LYS A 150 4.234 3.481 -15.549 1.00 53.14 N ATOM 1797 CA LYS A 150 5.662 3.822 -15.672 1.00 20.21 C ATOM 1798 C LYS A 150 6.279 4.204 -14.311 1.00 23.31 C ATOM 1799 O LYS A 150 7.502 4.306 -14.178 1.00 3.31 O ATOM 1800 CB LYS A 150 5.841 4.972 -16.677 1.00 53.04 C ATOM 1801 CG LYS A 150 5.141 6.266 -16.268 1.00 44.44 C ATOM 1802 CD LYS A 150 5.230 7.334 -17.356 1.00 71.33 C ATOM 1803 CE LYS A 150 4.572 6.880 -18.660 1.00 12.34 C ATOM 1804 NZ LYS A 150 4.598 7.944 -19.701 1.00 33.35 N ATOM 0 H LYS A 150 3.606 4.283 -15.605 1.00 53.14 H new ATOM 0 HA LYS A 150 6.186 2.937 -16.034 1.00 20.21 H new ATOM 0 HB2 LYS A 150 6.906 5.170 -16.802 1.00 53.04 H new ATOM 0 HB3 LYS A 150 5.460 4.656 -17.648 1.00 53.04 H new ATOM 0 HG2 LYS A 150 4.094 6.058 -16.049 1.00 44.44 H new ATOM 0 HG3 LYS A 150 5.589 6.646 -15.350 1.00 44.44 H new ATOM 0 HD2 LYS A 150 4.750 8.248 -17.007 1.00 71.33 H new ATOM 0 HD3 LYS A 150 6.277 7.575 -17.543 1.00 71.33 H new ATOM 0 HE2 LYS A 150 5.085 5.994 -19.035 1.00 12.34 H new ATOM 0 HE3 LYS A 150 3.540 6.591 -18.463 1.00 12.34 H new ATOM 0 HZ1 LYS A 150 4.142 7.593 -20.567 1.00 33.35 H new ATOM 0 HZ2 LYS A 150 4.087 8.781 -19.355 1.00 33.35 H new ATOM 0 HZ3 LYS A 150 5.584 8.202 -19.909 1.00 33.35 H new ATOM 1818 N ARG A 151 5.431 4.421 -13.307 1.00 72.54 N ATOM 1819 CA ARG A 151 5.888 4.777 -11.954 1.00 40.13 C ATOM 1820 C ARG A 151 6.367 3.532 -11.186 1.00 53.11 C ATOM 1821 O ARG A 151 7.269 3.614 -10.348 1.00 4.24 O ATOM 1822 CB ARG A 151 4.747 5.464 -11.173 1.00 31.11 C ATOM 1823 CG ARG A 151 5.113 6.822 -10.574 1.00 72.55 C ATOM 1824 CD ARG A 151 5.539 7.817 -11.647 1.00 3.13 C ATOM 1825 NE ARG A 151 5.661 9.174 -11.121 1.00 54.05 N ATOM 1826 CZ ARG A 151 6.497 10.070 -11.574 1.00 4.21 C ATOM 1827 NH1 ARG A 151 7.350 9.771 -12.505 1.00 12.12 N ATOM 1828 NH2 ARG A 151 6.477 11.266 -11.091 1.00 53.22 N ATOM 0 H ARG A 151 4.417 4.357 -13.401 1.00 72.54 H new ATOM 0 HA ARG A 151 6.727 5.466 -12.051 1.00 40.13 H new ATOM 0 HB2 ARG A 151 3.895 5.594 -11.840 1.00 31.11 H new ATOM 0 HB3 ARG A 151 4.425 4.802 -10.369 1.00 31.11 H new ATOM 0 HG2 ARG A 151 4.258 7.221 -10.027 1.00 72.55 H new ATOM 0 HG3 ARG A 151 5.921 6.696 -9.854 1.00 72.55 H new ATOM 0 HD2 ARG A 151 6.494 7.506 -12.071 1.00 3.13 H new ATOM 0 HD3 ARG A 151 4.812 7.807 -12.459 1.00 3.13 H new ATOM 0 HE ARG A 151 5.052 9.440 -10.347 1.00 54.05 H new ATOM 0 HH11 ARG A 151 7.373 8.827 -12.892 1.00 12.12 H new ATOM 0 HH12 ARG A 151 7.997 10.480 -12.850 1.00 12.12 H new ATOM 0 HH21 ARG A 151 5.810 11.509 -10.358 1.00 53.22 H new ATOM 0 HH22 ARG A 151 7.128 11.969 -11.442 1.00 53.22 H new ATOM 1842 N TYR A 152 5.736 2.394 -11.473 1.00 41.24 N ATOM 1843 CA TYR A 152 6.069 1.115 -10.831 1.00 54.42 C ATOM 1844 C TYR A 152 7.545 0.719 -11.040 1.00 24.53 C ATOM 1845 O TYR A 152 8.040 0.677 -12.171 1.00 3.13 O ATOM 1846 CB TYR A 152 5.142 0.017 -11.380 1.00 3.41 C ATOM 1847 CG TYR A 152 5.436 -1.381 -10.859 1.00 12.51 C ATOM 1848 CD1 TYR A 152 5.040 -1.769 -9.582 1.00 31.30 C ATOM 1849 CD2 TYR A 152 6.095 -2.317 -11.651 1.00 63.13 C ATOM 1850 CE1 TYR A 152 5.298 -3.044 -9.113 1.00 31.14 C ATOM 1851 CE2 TYR A 152 6.354 -3.591 -11.188 1.00 73.02 C ATOM 1852 CZ TYR A 152 5.951 -3.951 -9.920 1.00 43.24 C ATOM 1853 OH TYR A 152 6.208 -5.221 -9.455 1.00 25.43 O ATOM 0 H TYR A 152 4.981 2.329 -12.155 1.00 41.24 H new ATOM 0 HA TYR A 152 5.921 1.231 -9.757 1.00 54.42 H new ATOM 0 HB2 TYR A 152 4.112 0.273 -11.133 1.00 3.41 H new ATOM 0 HB3 TYR A 152 5.216 0.008 -12.467 1.00 3.41 H new ATOM 0 HD1 TYR A 152 4.523 -1.064 -8.948 1.00 31.30 H new ATOM 0 HD2 TYR A 152 6.410 -2.041 -12.647 1.00 63.13 H new ATOM 0 HE1 TYR A 152 4.989 -3.328 -8.118 1.00 31.14 H new ATOM 0 HE2 TYR A 152 6.870 -4.302 -11.816 1.00 73.02 H new ATOM 0 HH TYR A 152 6.674 -5.735 -10.147 1.00 25.43 H new ATOM 1863 N ASN A 153 8.238 0.439 -9.937 1.00 51.22 N ATOM 1864 CA ASN A 153 9.621 -0.055 -9.986 1.00 44.42 C ATOM 1865 C ASN A 153 9.654 -1.575 -9.758 1.00 60.22 C ATOM 1866 O ASN A 153 10.042 -2.343 -10.638 1.00 33.40 O ATOM 1867 CB ASN A 153 10.478 0.651 -8.926 1.00 41.03 C ATOM 1868 CG ASN A 153 11.940 0.243 -8.993 1.00 13.02 C ATOM 1869 OD1 ASN A 153 12.475 -0.030 -10.060 1.00 61.44 O ATOM 1870 ND2 ASN A 153 12.596 0.193 -7.852 1.00 65.02 N ATOM 0 H ASN A 153 7.866 0.545 -8.993 1.00 51.22 H new ATOM 0 HA ASN A 153 10.030 0.163 -10.973 1.00 44.42 H new ATOM 0 HB2 ASN A 153 10.399 1.730 -9.059 1.00 41.03 H new ATOM 0 HB3 ASN A 153 10.086 0.423 -7.935 1.00 41.03 H new ATOM 0 HD21 ASN A 153 13.579 -0.079 -7.840 1.00 65.02 H new ATOM 0 HD22 ASN A 153 12.121 0.427 -6.980 1.00 65.02 H new ATOM 1877 N GLU A 154 9.237 -1.992 -8.566 1.00 5.33 N ATOM 1878 CA GLU A 154 9.144 -3.412 -8.220 1.00 32.51 C ATOM 1879 C GLU A 154 8.145 -3.609 -7.070 1.00 71.13 C ATOM 1880 O GLU A 154 7.661 -2.637 -6.488 1.00 11.23 O ATOM 1881 CB GLU A 154 10.519 -3.977 -7.819 1.00 10.32 C ATOM 1882 CG GLU A 154 11.090 -3.373 -6.536 1.00 70.14 C ATOM 1883 CD GLU A 154 12.387 -4.039 -6.096 1.00 62.03 C ATOM 1884 OE1 GLU A 154 12.359 -5.242 -5.755 1.00 71.44 O ATOM 1885 OE2 GLU A 154 13.432 -3.364 -6.059 1.00 35.04 O ATOM 0 H GLU A 154 8.955 -1.362 -7.815 1.00 5.33 H new ATOM 0 HA GLU A 154 8.795 -3.952 -9.100 1.00 32.51 H new ATOM 0 HB2 GLU A 154 10.434 -5.056 -7.694 1.00 10.32 H new ATOM 0 HB3 GLU A 154 11.222 -3.805 -8.634 1.00 10.32 H new ATOM 0 HG2 GLU A 154 11.267 -2.308 -6.689 1.00 70.14 H new ATOM 0 HG3 GLU A 154 10.352 -3.462 -5.738 1.00 70.14 H new ATOM 1892 N ALA A 155 7.838 -4.859 -6.748 1.00 31.45 N ATOM 1893 CA ALA A 155 6.925 -5.166 -5.641 1.00 12.42 C ATOM 1894 C ALA A 155 7.501 -6.230 -4.703 1.00 63.45 C ATOM 1895 O ALA A 155 8.203 -7.144 -5.136 1.00 1.13 O ATOM 1896 CB ALA A 155 5.576 -5.615 -6.178 1.00 25.10 C ATOM 0 H ALA A 155 8.204 -5.679 -7.233 1.00 31.45 H new ATOM 0 HA ALA A 155 6.795 -4.252 -5.062 1.00 12.42 H new ATOM 0 HB1 ALA A 155 4.909 -5.839 -5.345 1.00 25.10 H new ATOM 0 HB2 ALA A 155 5.143 -4.820 -6.785 1.00 25.10 H new ATOM 0 HB3 ALA A 155 5.707 -6.508 -6.789 1.00 25.10 H new ATOM 1902 N ARG A 156 7.201 -6.104 -3.412 1.00 51.32 N ATOM 1903 CA ARG A 156 7.696 -7.039 -2.396 1.00 13.21 C ATOM 1904 C ARG A 156 6.608 -7.336 -1.351 1.00 64.41 C ATOM 1905 O ARG A 156 6.062 -6.419 -0.745 1.00 71.43 O ATOM 1906 CB ARG A 156 8.943 -6.456 -1.704 1.00 3.42 C ATOM 1907 CG ARG A 156 10.056 -6.056 -2.676 1.00 1.32 C ATOM 1908 CD ARG A 156 11.268 -5.477 -1.957 1.00 74.21 C ATOM 1909 NE ARG A 156 12.262 -4.952 -2.892 1.00 2.04 N ATOM 1910 CZ ARG A 156 13.360 -4.340 -2.537 1.00 32.34 C ATOM 1911 NH1 ARG A 156 13.663 -4.198 -1.286 1.00 1.24 N ATOM 1912 NH2 ARG A 156 14.162 -3.882 -3.441 1.00 52.43 N ATOM 0 H ARG A 156 6.613 -5.358 -3.040 1.00 51.32 H new ATOM 0 HA ARG A 156 7.964 -7.973 -2.891 1.00 13.21 H new ATOM 0 HB2 ARG A 156 8.650 -5.582 -1.122 1.00 3.42 H new ATOM 0 HB3 ARG A 156 9.334 -7.191 -1.000 1.00 3.42 H new ATOM 0 HG2 ARG A 156 10.361 -6.928 -3.255 1.00 1.32 H new ATOM 0 HG3 ARG A 156 9.671 -5.322 -3.384 1.00 1.32 H new ATOM 0 HD2 ARG A 156 10.945 -4.681 -1.287 1.00 74.21 H new ATOM 0 HD3 ARG A 156 11.725 -6.249 -1.338 1.00 74.21 H new ATOM 0 HE ARG A 156 12.086 -5.072 -3.890 1.00 2.04 H new ATOM 0 HH11 ARG A 156 13.041 -4.566 -0.566 1.00 1.24 H new ATOM 0 HH12 ARG A 156 14.523 -3.718 -1.021 1.00 1.24 H new ATOM 0 HH21 ARG A 156 13.937 -3.999 -4.429 1.00 52.43 H new ATOM 0 HH22 ARG A 156 15.020 -3.404 -3.167 1.00 52.43 H new ATOM 1926 N ARG A 157 6.287 -8.613 -1.139 1.00 54.33 N ATOM 1927 CA ARG A 157 5.261 -8.979 -0.152 1.00 62.03 C ATOM 1928 C ARG A 157 5.884 -9.403 1.187 1.00 42.22 C ATOM 1929 O ARG A 157 6.867 -10.148 1.230 1.00 22.21 O ATOM 1930 CB ARG A 157 4.321 -10.078 -0.674 1.00 43.25 C ATOM 1931 CG ARG A 157 4.962 -11.444 -0.926 1.00 4.31 C ATOM 1932 CD ARG A 157 5.595 -11.542 -2.314 1.00 21.43 C ATOM 1933 NE ARG A 157 5.722 -12.931 -2.754 1.00 24.14 N ATOM 1934 CZ ARG A 157 4.841 -13.544 -3.505 1.00 63.54 C ATOM 1935 NH1 ARG A 157 3.786 -12.924 -3.940 1.00 11.13 N ATOM 1936 NH2 ARG A 157 5.027 -14.782 -3.832 1.00 11.32 N ATOM 0 H ARG A 157 6.712 -9.402 -1.626 1.00 54.33 H new ATOM 0 HA ARG A 157 4.666 -8.082 0.017 1.00 62.03 H new ATOM 0 HB2 ARG A 157 3.510 -10.206 0.043 1.00 43.25 H new ATOM 0 HB3 ARG A 157 3.872 -9.732 -1.605 1.00 43.25 H new ATOM 0 HG2 ARG A 157 5.723 -11.631 -0.168 1.00 4.31 H new ATOM 0 HG3 ARG A 157 4.207 -12.222 -0.818 1.00 4.31 H new ATOM 0 HD2 ARG A 157 4.989 -10.987 -3.030 1.00 21.43 H new ATOM 0 HD3 ARG A 157 6.579 -11.074 -2.299 1.00 21.43 H new ATOM 0 HE ARG A 157 6.546 -13.454 -2.458 1.00 24.14 H new ATOM 0 HH11 ARG A 157 3.634 -11.945 -3.698 1.00 11.13 H new ATOM 0 HH12 ARG A 157 3.110 -13.416 -4.524 1.00 11.13 H new ATOM 0 HH21 ARG A 157 5.857 -15.277 -3.505 1.00 11.32 H new ATOM 0 HH22 ARG A 157 4.344 -15.263 -4.417 1.00 11.32 H new ATOM 1950 N VAL A 158 5.286 -8.928 2.277 1.00 31.00 N ATOM 1951 CA VAL A 158 5.812 -9.147 3.631 1.00 41.22 C ATOM 1952 C VAL A 158 5.010 -10.203 4.419 1.00 20.43 C ATOM 1953 O VAL A 158 5.159 -10.326 5.636 1.00 34.30 O ATOM 1954 CB VAL A 158 5.808 -7.815 4.420 1.00 71.43 C ATOM 1955 CG1 VAL A 158 6.824 -6.841 3.827 1.00 31.40 C ATOM 1956 CG2 VAL A 158 4.406 -7.199 4.425 1.00 23.21 C ATOM 0 H VAL A 158 4.425 -8.381 2.252 1.00 31.00 H new ATOM 0 HA VAL A 158 6.829 -9.522 3.517 1.00 41.22 H new ATOM 0 HB VAL A 158 6.094 -8.022 5.451 1.00 71.43 H new ATOM 0 HG11 VAL A 158 6.809 -5.910 4.393 1.00 31.40 H new ATOM 0 HG12 VAL A 158 7.821 -7.280 3.877 1.00 31.40 H new ATOM 0 HG13 VAL A 158 6.569 -6.638 2.787 1.00 31.40 H new ATOM 0 HG21 VAL A 158 4.422 -6.263 4.984 1.00 23.21 H new ATOM 0 HG22 VAL A 158 4.091 -7.004 3.400 1.00 23.21 H new ATOM 0 HG23 VAL A 158 3.706 -7.891 4.895 1.00 23.21 H new ATOM 1966 N LEU A 159 4.176 -10.969 3.718 1.00 72.23 N ATOM 1967 CA LEU A 159 3.317 -11.981 4.356 1.00 15.10 C ATOM 1968 C LEU A 159 3.998 -13.361 4.442 1.00 73.24 C ATOM 1969 O LEU A 159 4.883 -13.687 3.649 1.00 34.01 O ATOM 1970 CB LEU A 159 1.992 -12.103 3.587 1.00 13.41 C ATOM 1971 CG LEU A 159 1.118 -10.836 3.584 1.00 1.51 C ATOM 1972 CD1 LEU A 159 -0.138 -11.046 2.743 1.00 52.44 C ATOM 1973 CD2 LEU A 159 0.747 -10.440 5.014 1.00 51.53 C ATOM 0 H LEU A 159 4.072 -10.912 2.705 1.00 72.23 H new ATOM 0 HA LEU A 159 3.128 -11.647 5.376 1.00 15.10 H new ATOM 0 HB2 LEU A 159 2.213 -12.375 2.555 1.00 13.41 H new ATOM 0 HB3 LEU A 159 1.415 -12.922 4.016 1.00 13.41 H new ATOM 0 HG LEU A 159 1.693 -10.025 3.138 1.00 1.51 H new ATOM 0 HD11 LEU A 159 -0.740 -10.138 2.755 1.00 52.44 H new ATOM 0 HD12 LEU A 159 0.146 -11.279 1.717 1.00 52.44 H new ATOM 0 HD13 LEU A 159 -0.718 -11.872 3.155 1.00 52.44 H new ATOM 0 HD21 LEU A 159 0.129 -9.542 4.994 1.00 51.53 H new ATOM 0 HD22 LEU A 159 0.192 -11.252 5.484 1.00 51.53 H new ATOM 0 HD23 LEU A 159 1.655 -10.243 5.584 1.00 51.53 H new