USER MOD reduce.3.24.130724 H: found=0, std=0, add=980, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 980 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 113 SER OG : rot 109:sc= 0.764 USER MOD Set 1.2: A 115 THR OG1 : rot 180:sc= 0.92 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 5 MET CE :methyl -157:sc= -0.175 (180deg=-0.745) USER MOD Single : A 6 SER OG : rot 57:sc= 0.00318 USER MOD Single : A 9 THR OG1 : rot 177:sc= 0.625 USER MOD Single : A 15 THR OG1 : rot -74:sc= 1.04 USER MOD Single : A 30 ASN : amide:sc= -0.0914 K(o=-0.091,f=-0.97) USER MOD Single : A 31 HIS : no HD1:sc= 0 X(o=0,f=-0.0012) USER MOD Single : A 34 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 35 THR OG1 : rot 174:sc= 0.563 USER MOD Single : A 40 TYR OH : rot -118:sc= 0.322 USER MOD Single : A 43 HIS : no HD1:sc= -0.068 X(o=-0.068,f=-0.0061) USER MOD Single : A 45 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 47 THR OG1 : rot 170:sc= -0.757 USER MOD Single : A 48 GLN : amide:sc= 0.479 K(o=0.48,f=-0.37) USER MOD Single : A 55 HIS : no HE2:sc= -2.65! C(o=-2.6!,f=-5.8!) USER MOD Single : A 58 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 67 ASN :FLIP amide:sc= -0.479 F(o=-3.4!,f=-0.48) USER MOD Single : A 71 THR OG1 : rot -44:sc= -2.14! USER MOD Single : A 73 ASN : amide:sc= -0.683! C(o=-0.68!,f=-5!) USER MOD Single : A 74 THR OG1 : rot 180:sc= 0 USER MOD Single : A 81 MET CE :methyl -142:sc= -0.179 (180deg=-0.712) USER MOD Single : A 92 TYR OH : rot 180:sc= 0 USER MOD Single : A 99 LYS NZ :NH3+ 171:sc= 1.07 (180deg=0.95) USER MOD Single : A 105 ASN :FLIP amide:sc= 0 F(o=-0.93,f=0) USER MOD Single : A 116 GLN : amide:sc= 0.624 K(o=0.62,f=-5.8!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -24.925 0.943 7.451 1.00 9.84 N ATOM 2 CA GLY A 1 -25.833 -0.229 7.405 1.00 9.33 C ATOM 3 C GLY A 1 -25.087 -1.541 7.546 1.00 8.55 C ATOM 4 O GLY A 1 -24.828 -1.999 8.661 1.00 8.34 O ATOM 0 H1 GLY A 1 -25.480 1.817 7.351 1.00 9.84 H new ATOM 0 H2 GLY A 1 -24.421 0.956 8.360 1.00 9.84 H new ATOM 0 H3 GLY A 1 -24.236 0.879 6.674 1.00 9.84 H new ATOM 0 HA2 GLY A 1 -26.571 -0.146 8.203 1.00 9.33 H new ATOM 0 HA3 GLY A 1 -26.381 -0.225 6.463 1.00 9.33 H new ATOM 10 N ALA A 2 -24.737 -2.143 6.417 1.00 8.39 N ATOM 11 CA ALA A 2 -24.029 -3.414 6.415 1.00 7.95 C ATOM 12 C ALA A 2 -22.535 -3.197 6.630 1.00 7.24 C ATOM 13 O ALA A 2 -21.926 -2.340 5.987 1.00 7.25 O ATOM 14 CB ALA A 2 -24.278 -4.153 5.108 1.00 8.62 C ATOM 0 H ALA A 2 -24.933 -1.769 5.488 1.00 8.39 H new ATOM 0 HA ALA A 2 -24.407 -4.022 7.237 1.00 7.95 H new ATOM 0 HB1 ALA A 2 -23.743 -5.102 5.119 1.00 8.62 H new ATOM 0 HB2 ALA A 2 -25.346 -4.340 4.993 1.00 8.62 H new ATOM 0 HB3 ALA A 2 -23.924 -3.547 4.274 1.00 8.62 H new ATOM 20 N MET A 3 -21.954 -3.969 7.537 1.00 6.97 N ATOM 21 CA MET A 3 -20.540 -3.840 7.868 1.00 6.66 C ATOM 22 C MET A 3 -20.023 -5.136 8.482 1.00 5.89 C ATOM 23 O MET A 3 -20.738 -6.138 8.514 1.00 5.94 O ATOM 24 CB MET A 3 -20.317 -2.664 8.834 1.00 7.35 C ATOM 25 CG MET A 3 -21.090 -2.781 10.141 1.00 8.09 C ATOM 26 SD MET A 3 -20.776 -1.395 11.253 1.00 8.78 S ATOM 27 CE MET A 3 -21.856 -1.809 12.621 1.00 9.31 C ATOM 0 H MET A 3 -22.442 -4.696 8.060 1.00 6.97 H new ATOM 0 HA MET A 3 -19.986 -3.641 6.951 1.00 6.66 H new ATOM 0 HB2 MET A 3 -19.253 -2.588 9.059 1.00 7.35 H new ATOM 0 HB3 MET A 3 -20.604 -1.738 8.336 1.00 7.35 H new ATOM 0 HG2 MET A 3 -22.157 -2.835 9.925 1.00 8.09 H new ATOM 0 HG3 MET A 3 -20.818 -3.712 10.639 1.00 8.09 H new ATOM 0 HE1 MET A 3 -21.775 -1.044 13.393 1.00 9.31 H new ATOM 0 HE2 MET A 3 -22.886 -1.861 12.269 1.00 9.31 H new ATOM 0 HE3 MET A 3 -21.565 -2.775 13.035 1.00 9.31 H new ATOM 37 N GLY A 4 -18.787 -5.115 8.964 1.00 5.55 N ATOM 38 CA GLY A 4 -18.198 -6.301 9.553 1.00 5.17 C ATOM 39 C GLY A 4 -17.503 -7.152 8.514 1.00 4.35 C ATOM 40 O GLY A 4 -16.287 -7.065 8.343 1.00 4.64 O ATOM 0 H GLY A 4 -18.181 -4.295 8.957 1.00 5.55 H new ATOM 0 HA2 GLY A 4 -17.483 -6.009 10.322 1.00 5.17 H new ATOM 0 HA3 GLY A 4 -18.974 -6.888 10.045 1.00 5.17 H new ATOM 44 N MET A 5 -18.278 -7.965 7.813 1.00 3.80 N ATOM 45 CA MET A 5 -17.752 -8.781 6.729 1.00 3.46 C ATOM 46 C MET A 5 -18.272 -8.246 5.406 1.00 2.69 C ATOM 47 O MET A 5 -19.469 -8.310 5.137 1.00 3.15 O ATOM 48 CB MET A 5 -18.174 -10.245 6.891 1.00 4.10 C ATOM 49 CG MET A 5 -17.661 -10.906 8.161 1.00 4.56 C ATOM 50 SD MET A 5 -18.302 -12.581 8.370 1.00 5.55 S ATOM 51 CE MET A 5 -20.048 -12.247 8.602 1.00 6.19 C ATOM 0 H MET A 5 -19.278 -8.078 7.976 1.00 3.80 H new ATOM 0 HA MET A 5 -16.663 -8.734 6.752 1.00 3.46 H new ATOM 0 HB2 MET A 5 -19.263 -10.301 6.880 1.00 4.10 H new ATOM 0 HB3 MET A 5 -17.817 -10.811 6.031 1.00 4.10 H new ATOM 0 HG2 MET A 5 -16.572 -10.937 8.137 1.00 4.56 H new ATOM 0 HG3 MET A 5 -17.944 -10.301 9.022 1.00 4.56 H new ATOM 0 HE1 MET A 5 -20.510 -13.079 9.134 1.00 6.19 H new ATOM 0 HE2 MET A 5 -20.169 -11.333 9.183 1.00 6.19 H new ATOM 0 HE3 MET A 5 -20.527 -12.126 7.631 1.00 6.19 H new ATOM 61 N SER A 6 -17.389 -7.706 4.590 1.00 2.04 N ATOM 62 CA SER A 6 -17.796 -7.134 3.320 1.00 1.62 C ATOM 63 C SER A 6 -16.978 -7.706 2.160 1.00 1.22 C ATOM 64 O SER A 6 -16.087 -7.042 1.626 1.00 1.33 O ATOM 65 CB SER A 6 -17.674 -5.609 3.387 1.00 2.15 C ATOM 66 OG SER A 6 -16.444 -5.215 3.976 1.00 2.78 O ATOM 0 H SER A 6 -16.389 -7.651 4.781 1.00 2.04 H new ATOM 0 HA SER A 6 -18.837 -7.399 3.133 1.00 1.62 H new ATOM 0 HB2 SER A 6 -17.749 -5.192 2.383 1.00 2.15 H new ATOM 0 HB3 SER A 6 -18.503 -5.201 3.965 1.00 2.15 H new ATOM 0 HG SER A 6 -15.700 -5.602 3.470 1.00 2.78 H new ATOM 72 N PRO A 7 -17.278 -8.954 1.743 1.00 1.00 N ATOM 73 CA PRO A 7 -16.558 -9.618 0.651 1.00 0.92 C ATOM 74 C PRO A 7 -16.706 -8.872 -0.668 1.00 0.83 C ATOM 75 O PRO A 7 -15.772 -8.808 -1.466 1.00 0.81 O ATOM 76 CB PRO A 7 -17.212 -11.001 0.558 1.00 1.15 C ATOM 77 CG PRO A 7 -17.919 -11.188 1.857 1.00 1.35 C ATOM 78 CD PRO A 7 -18.335 -9.814 2.299 1.00 1.22 C ATOM 0 HA PRO A 7 -15.486 -9.661 0.844 1.00 0.92 H new ATOM 0 HB2 PRO A 7 -17.908 -11.052 -0.280 1.00 1.15 H new ATOM 0 HB3 PRO A 7 -16.466 -11.780 0.400 1.00 1.15 H new ATOM 0 HG2 PRO A 7 -18.785 -11.840 1.741 1.00 1.35 H new ATOM 0 HG3 PRO A 7 -17.265 -11.655 2.594 1.00 1.35 H new ATOM 0 HD2 PRO A 7 -19.318 -9.546 1.913 1.00 1.22 H new ATOM 0 HD3 PRO A 7 -18.388 -9.738 3.385 1.00 1.22 H new ATOM 86 N ASP A 8 -17.881 -8.290 -0.878 1.00 0.81 N ATOM 87 CA ASP A 8 -18.151 -7.524 -2.090 1.00 0.80 C ATOM 88 C ASP A 8 -17.316 -6.254 -2.107 1.00 0.67 C ATOM 89 O ASP A 8 -16.684 -5.924 -3.109 1.00 0.67 O ATOM 90 CB ASP A 8 -19.638 -7.171 -2.199 1.00 0.91 C ATOM 91 CG ASP A 8 -20.507 -8.378 -2.491 1.00 1.50 C ATOM 92 OD1 ASP A 8 -20.954 -9.045 -1.535 1.00 2.05 O ATOM 93 OD2 ASP A 8 -20.749 -8.665 -3.680 1.00 2.18 O ATOM 0 H ASP A 8 -18.663 -8.334 -0.224 1.00 0.81 H new ATOM 0 HA ASP A 8 -17.881 -8.143 -2.946 1.00 0.80 H new ATOM 0 HB2 ASP A 8 -19.966 -6.709 -1.268 1.00 0.91 H new ATOM 0 HB3 ASP A 8 -19.774 -6.431 -2.988 1.00 0.91 H new ATOM 98 N THR A 9 -17.311 -5.555 -0.982 1.00 0.62 N ATOM 99 CA THR A 9 -16.525 -4.343 -0.828 1.00 0.58 C ATOM 100 C THR A 9 -15.033 -4.633 -0.996 1.00 0.49 C ATOM 101 O THR A 9 -14.321 -3.912 -1.695 1.00 0.46 O ATOM 102 CB THR A 9 -16.762 -3.721 0.555 1.00 0.64 C ATOM 103 OG1 THR A 9 -18.169 -3.603 0.798 1.00 0.74 O ATOM 104 CG2 THR A 9 -16.105 -2.357 0.650 1.00 0.72 C ATOM 0 H THR A 9 -17.849 -5.811 -0.154 1.00 0.62 H new ATOM 0 HA THR A 9 -16.842 -3.644 -1.602 1.00 0.58 H new ATOM 0 HB THR A 9 -16.317 -4.371 1.309 1.00 0.64 H new ATOM 0 HG1 THR A 9 -18.317 -3.253 1.701 1.00 0.74 H new ATOM 0 HG21 THR A 9 -16.285 -1.934 1.638 1.00 0.72 H new ATOM 0 HG22 THR A 9 -15.032 -2.458 0.489 1.00 0.72 H new ATOM 0 HG23 THR A 9 -16.525 -1.697 -0.109 1.00 0.72 H new ATOM 112 N ALA A 10 -14.579 -5.707 -0.365 1.00 0.51 N ATOM 113 CA ALA A 10 -13.173 -6.080 -0.395 1.00 0.50 C ATOM 114 C ALA A 10 -12.725 -6.442 -1.810 1.00 0.48 C ATOM 115 O ALA A 10 -11.613 -6.106 -2.226 1.00 0.45 O ATOM 116 CB ALA A 10 -12.916 -7.234 0.558 1.00 0.60 C ATOM 0 H ALA A 10 -15.169 -6.338 0.177 1.00 0.51 H new ATOM 0 HA ALA A 10 -12.587 -5.219 -0.072 1.00 0.50 H new ATOM 0 HB1 ALA A 10 -11.860 -7.504 0.526 1.00 0.60 H new ATOM 0 HB2 ALA A 10 -13.184 -6.936 1.571 1.00 0.60 H new ATOM 0 HB3 ALA A 10 -13.519 -8.092 0.261 1.00 0.60 H new ATOM 122 N ARG A 11 -13.602 -7.115 -2.546 1.00 0.54 N ATOM 123 CA ARG A 11 -13.318 -7.494 -3.925 1.00 0.59 C ATOM 124 C ARG A 11 -13.304 -6.260 -4.824 1.00 0.52 C ATOM 125 O ARG A 11 -12.517 -6.167 -5.769 1.00 0.52 O ATOM 126 CB ARG A 11 -14.358 -8.502 -4.422 1.00 0.74 C ATOM 127 CG ARG A 11 -14.216 -8.861 -5.893 1.00 1.02 C ATOM 128 CD ARG A 11 -15.232 -9.911 -6.305 1.00 1.21 C ATOM 129 NE ARG A 11 -15.235 -10.137 -7.748 1.00 1.97 N ATOM 130 CZ ARG A 11 -16.009 -11.032 -8.359 1.00 2.53 C ATOM 131 NH1 ARG A 11 -16.792 -11.838 -7.649 1.00 2.44 N ATOM 132 NH2 ARG A 11 -15.987 -11.134 -9.684 1.00 3.56 N ATOM 0 H ARG A 11 -14.518 -7.410 -2.209 1.00 0.54 H new ATOM 0 HA ARG A 11 -12.334 -7.961 -3.962 1.00 0.59 H new ATOM 0 HB2 ARG A 11 -14.280 -9.412 -3.827 1.00 0.74 H new ATOM 0 HB3 ARG A 11 -15.355 -8.094 -4.252 1.00 0.74 H new ATOM 0 HG2 ARG A 11 -14.347 -7.967 -6.502 1.00 1.02 H new ATOM 0 HG3 ARG A 11 -13.209 -9.232 -6.083 1.00 1.02 H new ATOM 0 HD2 ARG A 11 -15.013 -10.848 -5.792 1.00 1.21 H new ATOM 0 HD3 ARG A 11 -16.226 -9.598 -5.986 1.00 1.21 H new ATOM 0 HE ARG A 11 -14.606 -9.575 -8.322 1.00 1.97 H new ATOM 0 HH11 ARG A 11 -16.802 -11.773 -6.631 1.00 2.44 H new ATOM 0 HH12 ARG A 11 -17.383 -12.522 -8.122 1.00 2.44 H new ATOM 0 HH21 ARG A 11 -15.378 -10.527 -10.232 1.00 3.56 H new ATOM 0 HH22 ARG A 11 -16.580 -11.819 -10.153 1.00 3.56 H new ATOM 146 N ARG A 12 -14.174 -5.309 -4.513 1.00 0.51 N ATOM 147 CA ARG A 12 -14.259 -4.065 -5.261 1.00 0.51 C ATOM 148 C ARG A 12 -12.992 -3.237 -5.065 1.00 0.42 C ATOM 149 O ARG A 12 -12.509 -2.590 -5.993 1.00 0.41 O ATOM 150 CB ARG A 12 -15.489 -3.280 -4.813 1.00 0.57 C ATOM 151 CG ARG A 12 -15.803 -2.065 -5.670 1.00 1.31 C ATOM 152 CD ARG A 12 -17.163 -1.486 -5.318 1.00 1.38 C ATOM 153 NE ARG A 12 -18.236 -2.455 -5.553 1.00 2.05 N ATOM 154 CZ ARG A 12 -19.086 -2.885 -4.618 1.00 2.50 C ATOM 155 NH1 ARG A 12 -19.004 -2.434 -3.373 1.00 2.39 N ATOM 156 NH2 ARG A 12 -20.023 -3.773 -4.931 1.00 3.49 N ATOM 0 H ARG A 12 -14.836 -5.378 -3.740 1.00 0.51 H new ATOM 0 HA ARG A 12 -14.353 -4.293 -6.323 1.00 0.51 H new ATOM 0 HB2 ARG A 12 -16.352 -3.946 -4.818 1.00 0.57 H new ATOM 0 HB3 ARG A 12 -15.343 -2.955 -3.783 1.00 0.57 H new ATOM 0 HG2 ARG A 12 -15.033 -1.307 -5.528 1.00 1.31 H new ATOM 0 HG3 ARG A 12 -15.784 -2.344 -6.723 1.00 1.31 H new ATOM 0 HD2 ARG A 12 -17.170 -1.181 -4.272 1.00 1.38 H new ATOM 0 HD3 ARG A 12 -17.343 -0.590 -5.913 1.00 1.38 H new ATOM 0 HE ARG A 12 -18.341 -2.827 -6.497 1.00 2.05 H new ATOM 0 HH11 ARG A 12 -18.287 -1.753 -3.124 1.00 2.39 H new ATOM 0 HH12 ARG A 12 -19.658 -2.768 -2.665 1.00 2.39 H new ATOM 0 HH21 ARG A 12 -20.093 -4.126 -5.885 1.00 3.49 H new ATOM 0 HH22 ARG A 12 -20.673 -4.102 -4.217 1.00 3.49 H new ATOM 170 N PHE A 13 -12.449 -3.274 -3.855 1.00 0.40 N ATOM 171 CA PHE A 13 -11.202 -2.580 -3.560 1.00 0.37 C ATOM 172 C PHE A 13 -10.069 -3.223 -4.349 1.00 0.33 C ATOM 173 O PHE A 13 -9.218 -2.535 -4.910 1.00 0.33 O ATOM 174 CB PHE A 13 -10.898 -2.629 -2.054 1.00 0.41 C ATOM 175 CG PHE A 13 -9.762 -1.737 -1.624 1.00 0.41 C ATOM 176 CD1 PHE A 13 -8.455 -2.203 -1.621 1.00 0.46 C ATOM 177 CD2 PHE A 13 -10.001 -0.433 -1.217 1.00 0.43 C ATOM 178 CE1 PHE A 13 -7.413 -1.387 -1.223 1.00 0.51 C ATOM 179 CE2 PHE A 13 -8.962 0.386 -0.816 1.00 0.48 C ATOM 180 CZ PHE A 13 -7.667 -0.092 -0.820 1.00 0.50 C ATOM 0 H PHE A 13 -12.851 -3.776 -3.063 1.00 0.40 H new ATOM 0 HA PHE A 13 -11.299 -1.534 -3.851 1.00 0.37 H new ATOM 0 HB2 PHE A 13 -11.796 -2.346 -1.504 1.00 0.41 H new ATOM 0 HB3 PHE A 13 -10.664 -3.656 -1.775 1.00 0.41 H new ATOM 0 HD1 PHE A 13 -8.249 -3.216 -1.934 1.00 0.46 H new ATOM 0 HD2 PHE A 13 -11.012 -0.052 -1.213 1.00 0.43 H new ATOM 0 HE1 PHE A 13 -6.400 -1.763 -1.227 1.00 0.51 H new ATOM 0 HE2 PHE A 13 -9.163 1.399 -0.500 1.00 0.48 H new ATOM 0 HZ PHE A 13 -6.854 0.547 -0.508 1.00 0.50 H new ATOM 190 N ASP A 14 -10.098 -4.549 -4.407 1.00 0.35 N ATOM 191 CA ASP A 14 -9.094 -5.333 -5.127 1.00 0.37 C ATOM 192 C ASP A 14 -9.044 -4.967 -6.606 1.00 0.34 C ATOM 193 O ASP A 14 -7.972 -4.873 -7.197 1.00 0.37 O ATOM 194 CB ASP A 14 -9.400 -6.827 -4.962 1.00 0.47 C ATOM 195 CG ASP A 14 -8.704 -7.701 -5.986 1.00 0.58 C ATOM 196 OD1 ASP A 14 -7.464 -7.828 -5.929 1.00 0.87 O ATOM 197 OD2 ASP A 14 -9.402 -8.286 -6.841 1.00 0.65 O ATOM 0 H ASP A 14 -10.818 -5.114 -3.957 1.00 0.35 H new ATOM 0 HA ASP A 14 -8.116 -5.106 -4.702 1.00 0.37 H new ATOM 0 HB2 ASP A 14 -9.101 -7.143 -3.963 1.00 0.47 H new ATOM 0 HB3 ASP A 14 -10.477 -6.980 -5.036 1.00 0.47 H new ATOM 202 N THR A 15 -10.204 -4.731 -7.187 1.00 0.33 N ATOM 203 CA THR A 15 -10.298 -4.508 -8.617 1.00 0.34 C ATOM 204 C THR A 15 -10.200 -3.026 -8.996 1.00 0.33 C ATOM 205 O THR A 15 -9.544 -2.676 -9.977 1.00 0.37 O ATOM 206 CB THR A 15 -11.608 -5.101 -9.158 1.00 0.39 C ATOM 207 OG1 THR A 15 -12.660 -4.903 -8.203 1.00 1.51 O ATOM 208 CG2 THR A 15 -11.451 -6.584 -9.444 1.00 1.34 C ATOM 0 H THR A 15 -11.094 -4.689 -6.691 1.00 0.33 H new ATOM 0 HA THR A 15 -9.445 -5.011 -9.072 1.00 0.34 H new ATOM 0 HB THR A 15 -11.858 -4.593 -10.089 1.00 0.39 H new ATOM 0 HG1 THR A 15 -12.543 -5.524 -7.454 1.00 1.51 H new ATOM 0 HG21 THR A 15 -12.391 -6.982 -9.826 1.00 1.34 H new ATOM 0 HG22 THR A 15 -10.666 -6.730 -10.186 1.00 1.34 H new ATOM 0 HG23 THR A 15 -11.183 -7.105 -8.525 1.00 1.34 H new ATOM 216 N GLU A 16 -10.839 -2.160 -8.220 1.00 0.33 N ATOM 217 CA GLU A 16 -10.934 -0.749 -8.579 1.00 0.39 C ATOM 218 C GLU A 16 -9.829 0.098 -7.940 1.00 0.37 C ATOM 219 O GLU A 16 -9.218 0.934 -8.606 1.00 0.46 O ATOM 220 CB GLU A 16 -12.305 -0.208 -8.163 1.00 0.48 C ATOM 221 CG GLU A 16 -12.598 1.192 -8.680 1.00 0.60 C ATOM 222 CD GLU A 16 -12.751 1.233 -10.184 1.00 1.15 C ATOM 223 OE1 GLU A 16 -13.753 0.689 -10.697 1.00 1.27 O ATOM 224 OE2 GLU A 16 -11.871 1.802 -10.864 1.00 1.81 O ATOM 0 H GLU A 16 -11.297 -2.407 -7.343 1.00 0.33 H new ATOM 0 HA GLU A 16 -10.808 -0.679 -9.659 1.00 0.39 H new ATOM 0 HB2 GLU A 16 -13.077 -0.887 -8.524 1.00 0.48 H new ATOM 0 HB3 GLU A 16 -12.368 -0.203 -7.075 1.00 0.48 H new ATOM 0 HG2 GLU A 16 -13.511 1.564 -8.215 1.00 0.60 H new ATOM 0 HG3 GLU A 16 -11.792 1.862 -8.381 1.00 0.60 H new ATOM 231 N PHE A 17 -9.558 -0.123 -6.661 1.00 0.31 N ATOM 232 CA PHE A 17 -8.688 0.781 -5.908 1.00 0.32 C ATOM 233 C PHE A 17 -7.249 0.279 -5.819 1.00 0.30 C ATOM 234 O PHE A 17 -6.310 1.041 -6.050 1.00 0.33 O ATOM 235 CB PHE A 17 -9.243 1.006 -4.499 1.00 0.37 C ATOM 236 CG PHE A 17 -10.526 1.797 -4.465 1.00 0.42 C ATOM 237 CD1 PHE A 17 -11.749 1.183 -4.698 1.00 0.43 C ATOM 238 CD2 PHE A 17 -10.507 3.158 -4.198 1.00 0.64 C ATOM 239 CE1 PHE A 17 -12.924 1.910 -4.664 1.00 0.48 C ATOM 240 CE2 PHE A 17 -11.680 3.889 -4.162 1.00 0.72 C ATOM 241 CZ PHE A 17 -12.889 3.265 -4.395 1.00 0.57 C ATOM 0 H PHE A 17 -9.922 -0.911 -6.124 1.00 0.31 H new ATOM 0 HA PHE A 17 -8.671 1.724 -6.455 1.00 0.32 H new ATOM 0 HB2 PHE A 17 -9.412 0.038 -4.027 1.00 0.37 H new ATOM 0 HB3 PHE A 17 -8.492 1.524 -3.902 1.00 0.37 H new ATOM 0 HD1 PHE A 17 -11.783 0.124 -4.908 1.00 0.43 H new ATOM 0 HD2 PHE A 17 -9.564 3.653 -4.016 1.00 0.64 H new ATOM 0 HE1 PHE A 17 -13.869 1.420 -4.847 1.00 0.48 H new ATOM 0 HE2 PHE A 17 -11.650 4.948 -3.952 1.00 0.72 H new ATOM 0 HZ PHE A 17 -13.806 3.835 -4.367 1.00 0.57 H new ATOM 251 N ALA A 18 -7.076 -0.997 -5.495 1.00 0.29 N ATOM 252 CA ALA A 18 -5.748 -1.557 -5.245 1.00 0.30 C ATOM 253 C ALA A 18 -4.783 -1.369 -6.425 1.00 0.29 C ATOM 254 O ALA A 18 -3.652 -0.929 -6.214 1.00 0.30 O ATOM 255 CB ALA A 18 -5.847 -3.023 -4.847 1.00 0.32 C ATOM 0 H ALA A 18 -7.839 -1.667 -5.398 1.00 0.29 H new ATOM 0 HA ALA A 18 -5.325 -0.995 -4.413 1.00 0.30 H new ATOM 0 HB1 ALA A 18 -4.848 -3.419 -4.666 1.00 0.32 H new ATOM 0 HB2 ALA A 18 -6.443 -3.114 -3.939 1.00 0.32 H new ATOM 0 HB3 ALA A 18 -6.321 -3.587 -5.651 1.00 0.32 H new ATOM 261 N PRO A 19 -5.185 -1.684 -7.681 1.00 0.30 N ATOM 262 CA PRO A 19 -4.315 -1.477 -8.848 1.00 0.32 C ATOM 263 C PRO A 19 -3.922 -0.012 -9.013 1.00 0.31 C ATOM 264 O PRO A 19 -2.829 0.304 -9.484 1.00 0.32 O ATOM 265 CB PRO A 19 -5.173 -1.933 -10.033 1.00 0.37 C ATOM 266 CG PRO A 19 -6.181 -2.846 -9.433 1.00 0.35 C ATOM 267 CD PRO A 19 -6.479 -2.276 -8.079 1.00 0.31 C ATOM 0 HA PRO A 19 -3.377 -2.024 -8.756 1.00 0.32 H new ATOM 0 HB2 PRO A 19 -5.649 -1.086 -10.528 1.00 0.37 H new ATOM 0 HB3 PRO A 19 -4.572 -2.444 -10.785 1.00 0.37 H new ATOM 0 HG2 PRO A 19 -7.081 -2.894 -10.046 1.00 0.35 H new ATOM 0 HG3 PRO A 19 -5.794 -3.862 -9.355 1.00 0.35 H new ATOM 0 HD2 PRO A 19 -7.270 -1.528 -8.120 1.00 0.31 H new ATOM 0 HD3 PRO A 19 -6.804 -3.045 -7.379 1.00 0.31 H new ATOM 275 N ARG A 20 -4.812 0.876 -8.591 1.00 0.32 N ATOM 276 CA ARG A 20 -4.577 2.304 -8.707 1.00 0.35 C ATOM 277 C ARG A 20 -3.514 2.739 -7.702 1.00 0.30 C ATOM 278 O ARG A 20 -2.653 3.565 -8.007 1.00 0.31 O ATOM 279 CB ARG A 20 -5.884 3.077 -8.486 1.00 0.43 C ATOM 280 CG ARG A 20 -5.757 4.577 -8.689 1.00 1.07 C ATOM 281 CD ARG A 20 -7.098 5.276 -8.530 1.00 1.40 C ATOM 282 NE ARG A 20 -6.983 6.725 -8.685 1.00 1.95 N ATOM 283 CZ ARG A 20 -7.868 7.600 -8.206 1.00 2.73 C ATOM 284 NH1 ARG A 20 -8.952 7.173 -7.571 1.00 3.15 N ATOM 285 NH2 ARG A 20 -7.673 8.902 -8.376 1.00 3.58 N ATOM 0 H ARG A 20 -5.705 0.629 -8.164 1.00 0.32 H new ATOM 0 HA ARG A 20 -4.216 2.526 -9.711 1.00 0.35 H new ATOM 0 HB2 ARG A 20 -6.642 2.691 -9.168 1.00 0.43 H new ATOM 0 HB3 ARG A 20 -6.240 2.887 -7.473 1.00 0.43 H new ATOM 0 HG2 ARG A 20 -5.046 4.984 -7.970 1.00 1.07 H new ATOM 0 HG3 ARG A 20 -5.356 4.778 -9.682 1.00 1.07 H new ATOM 0 HD2 ARG A 20 -7.799 4.887 -9.268 1.00 1.40 H new ATOM 0 HD3 ARG A 20 -7.511 5.048 -7.547 1.00 1.40 H new ATOM 0 HE ARG A 20 -6.176 7.089 -9.191 1.00 1.95 H new ATOM 0 HH11 ARG A 20 -9.110 6.173 -7.448 1.00 3.15 H new ATOM 0 HH12 ARG A 20 -9.627 7.845 -7.206 1.00 3.15 H new ATOM 0 HH21 ARG A 20 -6.846 9.233 -8.873 1.00 3.58 H new ATOM 0 HH22 ARG A 20 -8.350 9.571 -8.010 1.00 3.58 H new ATOM 299 N ILE A 21 -3.565 2.152 -6.511 1.00 0.28 N ATOM 300 CA ILE A 21 -2.583 2.436 -5.473 1.00 0.28 C ATOM 301 C ILE A 21 -1.214 1.899 -5.877 1.00 0.24 C ATOM 302 O ILE A 21 -0.207 2.598 -5.784 1.00 0.25 O ATOM 303 CB ILE A 21 -2.992 1.809 -4.119 1.00 0.31 C ATOM 304 CG1 ILE A 21 -4.372 2.316 -3.694 1.00 0.35 C ATOM 305 CG2 ILE A 21 -1.955 2.129 -3.047 1.00 0.33 C ATOM 306 CD1 ILE A 21 -4.917 1.650 -2.444 1.00 0.38 C ATOM 0 H ILE A 21 -4.278 1.475 -6.241 1.00 0.28 H new ATOM 0 HA ILE A 21 -2.537 3.519 -5.357 1.00 0.28 H new ATOM 0 HB ILE A 21 -3.041 0.727 -4.239 1.00 0.31 H new ATOM 0 HG12 ILE A 21 -4.316 3.391 -3.525 1.00 0.35 H new ATOM 0 HG13 ILE A 21 -5.074 2.158 -4.513 1.00 0.35 H new ATOM 0 HG21 ILE A 21 -2.259 1.680 -2.101 1.00 0.33 H new ATOM 0 HG22 ILE A 21 -0.987 1.726 -3.345 1.00 0.33 H new ATOM 0 HG23 ILE A 21 -1.877 3.210 -2.927 1.00 0.33 H new ATOM 0 HD11 ILE A 21 -5.898 2.064 -2.209 1.00 0.38 H new ATOM 0 HD12 ILE A 21 -5.007 0.577 -2.613 1.00 0.38 H new ATOM 0 HD13 ILE A 21 -4.238 1.830 -1.610 1.00 0.38 H new ATOM 318 N ALA A 22 -1.197 0.657 -6.348 1.00 0.23 N ATOM 319 CA ALA A 22 0.042 -0.015 -6.725 1.00 0.23 C ATOM 320 C ALA A 22 0.783 0.741 -7.820 1.00 0.24 C ATOM 321 O ALA A 22 2.007 0.883 -7.766 1.00 0.28 O ATOM 322 CB ALA A 22 -0.249 -1.439 -7.173 1.00 0.25 C ATOM 0 H ALA A 22 -2.035 0.091 -6.479 1.00 0.23 H new ATOM 0 HA ALA A 22 0.687 -0.039 -5.846 1.00 0.23 H new ATOM 0 HB1 ALA A 22 0.683 -1.930 -7.452 1.00 0.25 H new ATOM 0 HB2 ALA A 22 -0.719 -1.988 -6.357 1.00 0.25 H new ATOM 0 HB3 ALA A 22 -0.920 -1.420 -8.032 1.00 0.25 H new ATOM 328 N ARG A 23 0.040 1.222 -8.808 1.00 0.27 N ATOM 329 CA ARG A 23 0.633 1.967 -9.911 1.00 0.34 C ATOM 330 C ARG A 23 1.148 3.322 -9.446 1.00 0.30 C ATOM 331 O ARG A 23 2.211 3.766 -9.878 1.00 0.31 O ATOM 332 CB ARG A 23 -0.374 2.163 -11.041 1.00 0.47 C ATOM 333 CG ARG A 23 -0.700 0.895 -11.809 1.00 1.16 C ATOM 334 CD ARG A 23 -1.637 1.189 -12.968 1.00 1.33 C ATOM 335 NE ARG A 23 -1.078 2.193 -13.873 1.00 1.85 N ATOM 336 CZ ARG A 23 -1.805 2.978 -14.666 1.00 2.38 C ATOM 337 NH1 ARG A 23 -3.128 2.866 -14.695 1.00 2.41 N ATOM 338 NH2 ARG A 23 -1.203 3.879 -15.432 1.00 3.36 N ATOM 0 H ARG A 23 -0.972 1.110 -8.868 1.00 0.27 H new ATOM 0 HA ARG A 23 1.474 1.381 -10.283 1.00 0.34 H new ATOM 0 HB2 ARG A 23 -1.296 2.570 -10.625 1.00 0.47 H new ATOM 0 HB3 ARG A 23 0.017 2.906 -11.737 1.00 0.47 H new ATOM 0 HG2 ARG A 23 0.219 0.446 -12.184 1.00 1.16 H new ATOM 0 HG3 ARG A 23 -1.160 0.168 -11.140 1.00 1.16 H new ATOM 0 HD2 ARG A 23 -1.833 0.270 -13.520 1.00 1.33 H new ATOM 0 HD3 ARG A 23 -2.594 1.539 -12.582 1.00 1.33 H new ATOM 0 HE ARG A 23 -0.064 2.299 -13.898 1.00 1.85 H new ATOM 0 HH11 ARG A 23 -3.594 2.175 -14.107 1.00 2.41 H new ATOM 0 HH12 ARG A 23 -3.678 3.471 -15.305 1.00 2.41 H new ATOM 0 HH21 ARG A 23 -0.187 3.968 -15.412 1.00 3.36 H new ATOM 0 HH22 ARG A 23 -1.756 4.482 -16.041 1.00 3.36 H new ATOM 352 N ALA A 24 0.394 3.969 -8.562 1.00 0.29 N ATOM 353 CA ALA A 24 0.772 5.280 -8.047 1.00 0.31 C ATOM 354 C ALA A 24 2.079 5.200 -7.273 1.00 0.29 C ATOM 355 O ALA A 24 2.968 6.034 -7.443 1.00 0.31 O ATOM 356 CB ALA A 24 -0.332 5.840 -7.164 1.00 0.35 C ATOM 0 H ALA A 24 -0.483 3.606 -8.188 1.00 0.29 H new ATOM 0 HA ALA A 24 0.917 5.951 -8.894 1.00 0.31 H new ATOM 0 HB1 ALA A 24 -0.035 6.819 -6.787 1.00 0.35 H new ATOM 0 HB2 ALA A 24 -1.249 5.938 -7.746 1.00 0.35 H new ATOM 0 HB3 ALA A 24 -0.505 5.165 -6.325 1.00 0.35 H new ATOM 362 N ILE A 25 2.191 4.184 -6.427 1.00 0.27 N ATOM 363 CA ILE A 25 3.395 3.974 -5.636 1.00 0.30 C ATOM 364 C ILE A 25 4.589 3.676 -6.540 1.00 0.30 C ATOM 365 O ILE A 25 5.658 4.268 -6.391 1.00 0.33 O ATOM 366 CB ILE A 25 3.212 2.816 -4.632 1.00 0.33 C ATOM 367 CG1 ILE A 25 2.057 3.115 -3.669 1.00 0.36 C ATOM 368 CG2 ILE A 25 4.500 2.573 -3.856 1.00 0.39 C ATOM 369 CD1 ILE A 25 1.785 1.998 -2.684 1.00 1.05 C ATOM 0 H ILE A 25 1.459 3.491 -6.271 1.00 0.27 H new ATOM 0 HA ILE A 25 3.583 4.893 -5.080 1.00 0.30 H new ATOM 0 HB ILE A 25 2.970 1.913 -5.192 1.00 0.33 H new ATOM 0 HG12 ILE A 25 2.282 4.028 -3.117 1.00 0.36 H new ATOM 0 HG13 ILE A 25 1.153 3.306 -4.247 1.00 0.36 H new ATOM 0 HG21 ILE A 25 4.352 1.753 -3.153 1.00 0.39 H new ATOM 0 HG22 ILE A 25 5.300 2.316 -4.550 1.00 0.39 H new ATOM 0 HG23 ILE A 25 4.771 3.476 -3.309 1.00 0.39 H new ATOM 0 HD11 ILE A 25 0.956 2.279 -2.035 1.00 1.05 H new ATOM 0 HD12 ILE A 25 1.529 1.088 -3.227 1.00 1.05 H new ATOM 0 HD13 ILE A 25 2.675 1.821 -2.080 1.00 1.05 H new ATOM 381 N ALA A 26 4.390 2.770 -7.491 1.00 0.31 N ATOM 382 CA ALA A 26 5.450 2.369 -8.406 1.00 0.36 C ATOM 383 C ALA A 26 5.943 3.553 -9.230 1.00 0.38 C ATOM 384 O ALA A 26 7.136 3.675 -9.512 1.00 0.40 O ATOM 385 CB ALA A 26 4.959 1.257 -9.318 1.00 0.42 C ATOM 0 H ALA A 26 3.500 2.298 -7.648 1.00 0.31 H new ATOM 0 HA ALA A 26 6.288 2.000 -7.815 1.00 0.36 H new ATOM 0 HB1 ALA A 26 5.759 0.964 -9.998 1.00 0.42 H new ATOM 0 HB2 ALA A 26 4.662 0.398 -8.717 1.00 0.42 H new ATOM 0 HB3 ALA A 26 4.104 1.610 -9.894 1.00 0.42 H new ATOM 391 N ASP A 27 5.016 4.425 -9.605 1.00 0.40 N ATOM 392 CA ASP A 27 5.340 5.609 -10.392 1.00 0.47 C ATOM 393 C ASP A 27 6.095 6.625 -9.547 1.00 0.45 C ATOM 394 O ASP A 27 7.017 7.287 -10.023 1.00 0.48 O ATOM 395 CB ASP A 27 4.064 6.239 -10.951 1.00 0.56 C ATOM 396 CG ASP A 27 4.350 7.436 -11.834 1.00 0.72 C ATOM 397 OD1 ASP A 27 4.738 7.240 -13.003 1.00 0.86 O ATOM 398 OD2 ASP A 27 4.191 8.580 -11.357 1.00 0.80 O ATOM 0 H ASP A 27 4.026 4.334 -9.375 1.00 0.40 H new ATOM 0 HA ASP A 27 5.978 5.305 -11.222 1.00 0.47 H new ATOM 0 HB2 ASP A 27 3.514 5.492 -11.523 1.00 0.56 H new ATOM 0 HB3 ASP A 27 3.421 6.545 -10.126 1.00 0.56 H new ATOM 403 N LEU A 28 5.718 6.715 -8.279 1.00 0.42 N ATOM 404 CA LEU A 28 6.327 7.663 -7.358 1.00 0.46 C ATOM 405 C LEU A 28 7.748 7.227 -7.015 1.00 0.44 C ATOM 406 O LEU A 28 8.633 8.056 -6.806 1.00 0.49 O ATOM 407 CB LEU A 28 5.478 7.773 -6.084 1.00 0.49 C ATOM 408 CG LEU A 28 5.994 8.745 -5.018 1.00 0.90 C ATOM 409 CD1 LEU A 28 6.053 10.163 -5.563 1.00 1.69 C ATOM 410 CD2 LEU A 28 5.107 8.687 -3.782 1.00 1.44 C ATOM 0 H LEU A 28 4.987 6.138 -7.863 1.00 0.42 H new ATOM 0 HA LEU A 28 6.372 8.642 -7.835 1.00 0.46 H new ATOM 0 HB2 LEU A 28 4.470 8.076 -6.367 1.00 0.49 H new ATOM 0 HB3 LEU A 28 5.399 6.782 -5.637 1.00 0.49 H new ATOM 0 HG LEU A 28 7.005 8.446 -4.740 1.00 0.90 H new ATOM 0 HD11 LEU A 28 6.422 10.835 -4.789 1.00 1.69 H new ATOM 0 HD12 LEU A 28 6.724 10.195 -6.421 1.00 1.69 H new ATOM 0 HD13 LEU A 28 5.055 10.477 -5.870 1.00 1.69 H new ATOM 0 HD21 LEU A 28 5.483 9.382 -3.031 1.00 1.44 H new ATOM 0 HD22 LEU A 28 4.088 8.962 -4.053 1.00 1.44 H new ATOM 0 HD23 LEU A 28 5.114 7.675 -3.376 1.00 1.44 H new ATOM 422 N LEU A 29 7.959 5.920 -6.972 1.00 0.40 N ATOM 423 CA LEU A 29 9.273 5.367 -6.677 1.00 0.41 C ATOM 424 C LEU A 29 10.114 5.240 -7.941 1.00 0.44 C ATOM 425 O LEU A 29 11.254 4.790 -7.890 1.00 0.48 O ATOM 426 CB LEU A 29 9.138 3.987 -6.025 1.00 0.38 C ATOM 427 CG LEU A 29 8.315 3.938 -4.740 1.00 0.39 C ATOM 428 CD1 LEU A 29 8.202 2.508 -4.236 1.00 0.41 C ATOM 429 CD2 LEU A 29 8.928 4.827 -3.673 1.00 0.49 C ATOM 0 H LEU A 29 7.235 5.221 -7.138 1.00 0.40 H new ATOM 0 HA LEU A 29 9.770 6.051 -5.990 1.00 0.41 H new ATOM 0 HB2 LEU A 29 8.689 3.306 -6.748 1.00 0.38 H new ATOM 0 HB3 LEU A 29 10.137 3.608 -5.809 1.00 0.38 H new ATOM 0 HG LEU A 29 7.315 4.310 -4.962 1.00 0.39 H new ATOM 0 HD11 LEU A 29 7.612 2.491 -3.319 1.00 0.41 H new ATOM 0 HD12 LEU A 29 7.715 1.893 -4.993 1.00 0.41 H new ATOM 0 HD13 LEU A 29 9.198 2.114 -4.034 1.00 0.41 H new ATOM 0 HD21 LEU A 29 8.325 4.776 -2.767 1.00 0.49 H new ATOM 0 HD22 LEU A 29 9.941 4.488 -3.455 1.00 0.49 H new ATOM 0 HD23 LEU A 29 8.959 5.856 -4.031 1.00 0.49 H new ATOM 441 N ASN A 30 9.526 5.624 -9.076 1.00 0.45 N ATOM 442 CA ASN A 30 10.169 5.483 -10.387 1.00 0.51 C ATOM 443 C ASN A 30 10.595 4.028 -10.604 1.00 0.49 C ATOM 444 O ASN A 30 11.619 3.744 -11.225 1.00 0.55 O ATOM 445 CB ASN A 30 11.380 6.423 -10.508 1.00 0.60 C ATOM 446 CG ASN A 30 11.769 6.717 -11.953 1.00 0.79 C ATOM 447 OD1 ASN A 30 11.540 5.909 -12.856 1.00 1.36 O ATOM 448 ND2 ASN A 30 12.369 7.876 -12.182 1.00 1.44 N ATOM 0 H ASN A 30 8.595 6.040 -9.114 1.00 0.45 H new ATOM 0 HA ASN A 30 9.451 5.761 -11.158 1.00 0.51 H new ATOM 0 HB2 ASN A 30 11.156 7.361 -10.001 1.00 0.60 H new ATOM 0 HB3 ASN A 30 12.231 5.977 -9.993 1.00 0.60 H new ATOM 0 HD21 ASN A 30 12.657 8.123 -13.129 1.00 1.44 H new ATOM 0 HD22 ASN A 30 12.543 8.521 -11.411 1.00 1.44 H new ATOM 455 N HIS A 31 9.791 3.112 -10.066 1.00 0.46 N ATOM 456 CA HIS A 31 10.051 1.675 -10.149 1.00 0.50 C ATOM 457 C HIS A 31 11.404 1.287 -9.545 1.00 0.55 C ATOM 458 O HIS A 31 12.044 0.343 -10.008 1.00 0.67 O ATOM 459 CB HIS A 31 9.951 1.176 -11.598 1.00 0.60 C ATOM 460 CG HIS A 31 8.541 1.007 -12.079 1.00 0.67 C ATOM 461 ND1 HIS A 31 7.881 -0.201 -12.052 1.00 1.25 N ATOM 462 CD2 HIS A 31 7.660 1.898 -12.600 1.00 1.11 C ATOM 463 CE1 HIS A 31 6.663 -0.050 -12.530 1.00 1.16 C ATOM 464 NE2 HIS A 31 6.501 1.213 -12.870 1.00 0.94 N ATOM 0 H HIS A 31 8.938 3.346 -9.558 1.00 0.46 H new ATOM 0 HA HIS A 31 9.278 1.187 -9.555 1.00 0.50 H new ATOM 0 HB2 HIS A 31 10.467 1.879 -12.252 1.00 0.60 H new ATOM 0 HB3 HIS A 31 10.471 0.222 -11.682 1.00 0.60 H new ATOM 0 HD2 HIS A 31 7.837 2.950 -12.770 1.00 1.11 H new ATOM 0 HE1 HIS A 31 5.922 -0.830 -12.627 1.00 1.16 H new ATOM 0 HE2 HIS A 31 5.653 1.616 -13.269 1.00 0.94 H new ATOM 473 N ARG A 32 11.841 2.013 -8.514 1.00 0.53 N ATOM 474 CA ARG A 32 13.024 1.610 -7.755 1.00 0.61 C ATOM 475 C ARG A 32 12.712 0.352 -6.954 1.00 0.56 C ATOM 476 O ARG A 32 13.599 -0.432 -6.620 1.00 0.66 O ATOM 477 CB ARG A 32 13.490 2.730 -6.815 1.00 0.71 C ATOM 478 CG ARG A 32 14.174 3.902 -7.513 1.00 0.81 C ATOM 479 CD ARG A 32 15.537 3.524 -8.073 1.00 1.64 C ATOM 480 NE ARG A 32 15.444 2.587 -9.194 1.00 2.26 N ATOM 481 CZ ARG A 32 16.290 1.576 -9.398 1.00 3.24 C ATOM 482 NH1 ARG A 32 17.311 1.373 -8.569 1.00 3.73 N ATOM 483 NH2 ARG A 32 16.120 0.775 -10.439 1.00 4.08 N ATOM 0 H ARG A 32 11.399 2.873 -8.189 1.00 0.53 H new ATOM 0 HA ARG A 32 13.831 1.406 -8.459 1.00 0.61 H new ATOM 0 HB2 ARG A 32 12.628 3.106 -6.263 1.00 0.71 H new ATOM 0 HB3 ARG A 32 14.178 2.309 -6.082 1.00 0.71 H new ATOM 0 HG2 ARG A 32 13.538 4.262 -8.322 1.00 0.81 H new ATOM 0 HG3 ARG A 32 14.289 4.725 -6.808 1.00 0.81 H new ATOM 0 HD2 ARG A 32 16.054 4.426 -8.400 1.00 1.64 H new ATOM 0 HD3 ARG A 32 16.140 3.079 -7.282 1.00 1.64 H new ATOM 0 HE ARG A 32 14.684 2.715 -9.862 1.00 2.26 H new ATOM 0 HH11 ARG A 32 17.451 1.993 -7.771 1.00 3.73 H new ATOM 0 HH12 ARG A 32 17.954 0.598 -8.732 1.00 3.73 H new ATOM 0 HH21 ARG A 32 15.344 0.932 -11.082 1.00 4.08 H new ATOM 0 HH22 ARG A 32 16.765 0.001 -10.598 1.00 4.08 H new ATOM 497 N ALA A 33 11.436 0.183 -6.657 1.00 0.48 N ATOM 498 CA ALA A 33 10.930 -1.016 -6.013 1.00 0.45 C ATOM 499 C ALA A 33 9.713 -1.504 -6.785 1.00 0.43 C ATOM 500 O ALA A 33 9.121 -0.745 -7.555 1.00 0.49 O ATOM 501 CB ALA A 33 10.574 -0.729 -4.562 1.00 0.49 C ATOM 0 H ALA A 33 10.717 0.878 -6.857 1.00 0.48 H new ATOM 0 HA ALA A 33 11.696 -1.791 -6.016 1.00 0.45 H new ATOM 0 HB1 ALA A 33 10.196 -1.638 -4.093 1.00 0.49 H new ATOM 0 HB2 ALA A 33 11.462 -0.389 -4.030 1.00 0.49 H new ATOM 0 HB3 ALA A 33 9.808 0.045 -4.522 1.00 0.49 H new ATOM 507 N HIS A 34 9.350 -2.759 -6.601 1.00 0.39 N ATOM 508 CA HIS A 34 8.235 -3.336 -7.336 1.00 0.41 C ATOM 509 C HIS A 34 7.025 -3.486 -6.431 1.00 0.36 C ATOM 510 O HIS A 34 7.151 -3.878 -5.276 1.00 0.34 O ATOM 511 CB HIS A 34 8.635 -4.696 -7.930 1.00 0.48 C ATOM 512 CG HIS A 34 7.555 -5.348 -8.739 1.00 0.59 C ATOM 513 ND1 HIS A 34 7.308 -5.041 -10.061 1.00 0.79 N ATOM 514 CD2 HIS A 34 6.646 -6.295 -8.402 1.00 0.63 C ATOM 515 CE1 HIS A 34 6.298 -5.766 -10.498 1.00 0.89 C ATOM 516 NE2 HIS A 34 5.881 -6.535 -9.512 1.00 0.80 N ATOM 0 H HIS A 34 9.808 -3.399 -5.952 1.00 0.39 H new ATOM 0 HA HIS A 34 7.972 -2.665 -8.154 1.00 0.41 H new ATOM 0 HB2 HIS A 34 9.515 -4.562 -8.559 1.00 0.48 H new ATOM 0 HB3 HIS A 34 8.922 -5.365 -7.119 1.00 0.48 H new ATOM 0 HD2 HIS A 34 6.544 -6.771 -7.438 1.00 0.63 H new ATOM 0 HE1 HIS A 34 5.883 -5.735 -11.494 1.00 0.89 H new ATOM 0 HE2 HIS A 34 5.111 -7.202 -9.567 1.00 0.80 H new ATOM 525 N THR A 35 5.852 -3.180 -6.957 1.00 0.38 N ATOM 526 CA THR A 35 4.633 -3.270 -6.178 1.00 0.36 C ATOM 527 C THR A 35 3.748 -4.402 -6.686 1.00 0.39 C ATOM 528 O THR A 35 3.689 -4.669 -7.890 1.00 0.45 O ATOM 529 CB THR A 35 3.861 -1.939 -6.204 1.00 0.41 C ATOM 530 OG1 THR A 35 3.670 -1.498 -7.558 1.00 0.49 O ATOM 531 CG2 THR A 35 4.617 -0.876 -5.425 1.00 0.41 C ATOM 0 H THR A 35 5.719 -2.868 -7.919 1.00 0.38 H new ATOM 0 HA THR A 35 4.913 -3.484 -5.147 1.00 0.36 H new ATOM 0 HB THR A 35 2.888 -2.098 -5.740 1.00 0.41 H new ATOM 0 HG1 THR A 35 3.091 -0.708 -7.566 1.00 0.49 H new ATOM 0 HG21 THR A 35 4.059 0.060 -5.452 1.00 0.41 H new ATOM 0 HG22 THR A 35 4.735 -1.198 -4.391 1.00 0.41 H new ATOM 0 HG23 THR A 35 5.599 -0.726 -5.873 1.00 0.41 H new ATOM 539 N ASP A 36 3.078 -5.076 -5.765 1.00 0.38 N ATOM 540 CA ASP A 36 2.242 -6.217 -6.102 1.00 0.44 C ATOM 541 C ASP A 36 0.931 -6.152 -5.331 1.00 0.39 C ATOM 542 O ASP A 36 0.911 -5.784 -4.154 1.00 0.47 O ATOM 543 CB ASP A 36 2.981 -7.524 -5.791 1.00 0.56 C ATOM 544 CG ASP A 36 2.161 -8.750 -6.128 1.00 0.92 C ATOM 545 OD1 ASP A 36 2.019 -9.064 -7.328 1.00 1.07 O ATOM 546 OD2 ASP A 36 1.653 -9.403 -5.196 1.00 1.56 O ATOM 0 H ASP A 36 3.098 -4.850 -4.771 1.00 0.38 H new ATOM 0 HA ASP A 36 2.020 -6.189 -7.169 1.00 0.44 H new ATOM 0 HB2 ASP A 36 3.915 -7.551 -6.352 1.00 0.56 H new ATOM 0 HB3 ASP A 36 3.243 -7.546 -4.733 1.00 0.56 H new ATOM 551 N VAL A 37 -0.160 -6.506 -5.994 1.00 0.37 N ATOM 552 CA VAL A 37 -1.480 -6.399 -5.397 1.00 0.37 C ATOM 553 C VAL A 37 -1.966 -7.747 -4.885 1.00 0.36 C ATOM 554 O VAL A 37 -2.265 -8.654 -5.663 1.00 0.48 O ATOM 555 CB VAL A 37 -2.510 -5.833 -6.396 1.00 0.44 C ATOM 556 CG1 VAL A 37 -3.893 -5.767 -5.767 1.00 0.50 C ATOM 557 CG2 VAL A 37 -2.085 -4.459 -6.888 1.00 0.54 C ATOM 0 H VAL A 37 -0.156 -6.870 -6.947 1.00 0.37 H new ATOM 0 HA VAL A 37 -1.389 -5.710 -4.557 1.00 0.37 H new ATOM 0 HB VAL A 37 -2.554 -6.506 -7.252 1.00 0.44 H new ATOM 0 HG11 VAL A 37 -4.603 -5.365 -6.490 1.00 0.50 H new ATOM 0 HG12 VAL A 37 -4.206 -6.768 -5.470 1.00 0.50 H new ATOM 0 HG13 VAL A 37 -3.863 -5.121 -4.890 1.00 0.50 H new ATOM 0 HG21 VAL A 37 -2.826 -4.079 -7.591 1.00 0.54 H new ATOM 0 HG22 VAL A 37 -2.006 -3.778 -6.041 1.00 0.54 H new ATOM 0 HG23 VAL A 37 -1.118 -4.534 -7.385 1.00 0.54 H new ATOM 567 N VAL A 38 -2.019 -7.877 -3.572 1.00 0.34 N ATOM 568 CA VAL A 38 -2.589 -9.055 -2.943 1.00 0.36 C ATOM 569 C VAL A 38 -4.108 -8.936 -2.922 1.00 0.42 C ATOM 570 O VAL A 38 -4.659 -8.065 -2.247 1.00 0.46 O ATOM 571 CB VAL A 38 -2.069 -9.237 -1.504 1.00 0.39 C ATOM 572 CG1 VAL A 38 -2.674 -10.473 -0.859 1.00 0.45 C ATOM 573 CG2 VAL A 38 -0.551 -9.314 -1.487 1.00 0.46 C ATOM 0 H VAL A 38 -1.672 -7.177 -2.917 1.00 0.34 H new ATOM 0 HA VAL A 38 -2.288 -9.926 -3.524 1.00 0.36 H new ATOM 0 HB VAL A 38 -2.376 -8.367 -0.923 1.00 0.39 H new ATOM 0 HG11 VAL A 38 -2.291 -10.578 0.156 1.00 0.45 H new ATOM 0 HG12 VAL A 38 -3.759 -10.373 -0.828 1.00 0.45 H new ATOM 0 HG13 VAL A 38 -2.407 -11.355 -1.441 1.00 0.45 H new ATOM 0 HG21 VAL A 38 -0.205 -9.442 -0.462 1.00 0.46 H new ATOM 0 HG22 VAL A 38 -0.223 -10.161 -2.090 1.00 0.46 H new ATOM 0 HG23 VAL A 38 -0.135 -8.394 -1.898 1.00 0.46 H new ATOM 583 N GLY A 39 -4.774 -9.793 -3.681 1.00 0.58 N ATOM 584 CA GLY A 39 -6.216 -9.725 -3.782 1.00 0.74 C ATOM 585 C GLY A 39 -6.912 -10.433 -2.641 1.00 0.69 C ATOM 586 O GLY A 39 -6.341 -11.335 -2.024 1.00 0.84 O ATOM 0 H GLY A 39 -4.340 -10.536 -4.230 1.00 0.58 H new ATOM 0 HA2 GLY A 39 -6.527 -8.680 -3.800 1.00 0.74 H new ATOM 0 HA3 GLY A 39 -6.532 -10.168 -4.727 1.00 0.74 H new ATOM 590 N TYR A 40 -8.144 -10.025 -2.367 1.00 0.73 N ATOM 591 CA TYR A 40 -8.934 -10.619 -1.296 1.00 0.82 C ATOM 592 C TYR A 40 -9.188 -12.097 -1.571 1.00 1.19 C ATOM 593 O TYR A 40 -9.729 -12.461 -2.620 1.00 1.44 O ATOM 594 CB TYR A 40 -10.267 -9.874 -1.142 1.00 0.91 C ATOM 595 CG TYR A 40 -11.136 -10.406 -0.019 1.00 1.21 C ATOM 596 CD1 TYR A 40 -10.824 -10.143 1.310 1.00 1.29 C ATOM 597 CD2 TYR A 40 -12.266 -11.171 -0.288 1.00 1.66 C ATOM 598 CE1 TYR A 40 -11.608 -10.628 2.337 1.00 1.73 C ATOM 599 CE2 TYR A 40 -13.057 -11.657 0.736 1.00 2.08 C ATOM 600 CZ TYR A 40 -12.722 -11.384 2.045 1.00 2.09 C ATOM 601 OH TYR A 40 -13.504 -11.873 3.066 1.00 2.57 O ATOM 0 H TYR A 40 -8.621 -9.280 -2.875 1.00 0.73 H new ATOM 0 HA TYR A 40 -8.372 -10.532 -0.366 1.00 0.82 H new ATOM 0 HB2 TYR A 40 -10.064 -8.818 -0.964 1.00 0.91 H new ATOM 0 HB3 TYR A 40 -10.820 -9.939 -2.079 1.00 0.91 H new ATOM 0 HD1 TYR A 40 -9.953 -9.549 1.543 1.00 1.29 H new ATOM 0 HD2 TYR A 40 -12.529 -11.389 -1.313 1.00 1.66 H new ATOM 0 HE1 TYR A 40 -11.350 -10.416 3.364 1.00 1.73 H new ATOM 0 HE2 TYR A 40 -13.933 -12.248 0.512 1.00 2.08 H new ATOM 0 HH TYR A 40 -13.498 -12.853 3.042 1.00 2.57 H new ATOM 611 N GLY A 41 -8.795 -12.944 -0.632 1.00 1.45 N ATOM 612 CA GLY A 41 -8.942 -14.372 -0.816 1.00 1.91 C ATOM 613 C GLY A 41 -9.711 -15.031 0.308 1.00 2.10 C ATOM 614 O GLY A 41 -9.271 -15.007 1.460 1.00 2.74 O ATOM 0 H GLY A 41 -8.376 -12.667 0.256 1.00 1.45 H new ATOM 0 HA2 GLY A 41 -9.453 -14.562 -1.760 1.00 1.91 H new ATOM 0 HA3 GLY A 41 -7.955 -14.828 -0.891 1.00 1.91 H new ATOM 618 N GLY A 42 -10.859 -15.613 -0.034 1.00 2.18 N ATOM 619 CA GLY A 42 -11.669 -16.335 0.932 1.00 2.55 C ATOM 620 C GLY A 42 -12.033 -15.501 2.146 1.00 2.43 C ATOM 621 O GLY A 42 -12.826 -14.564 2.051 1.00 2.95 O ATOM 0 H GLY A 42 -11.246 -15.596 -0.978 1.00 2.18 H new ATOM 0 HA2 GLY A 42 -12.583 -16.678 0.447 1.00 2.55 H new ATOM 0 HA3 GLY A 42 -11.129 -17.224 1.258 1.00 2.55 H new ATOM 625 N HIS A 43 -11.454 -15.842 3.288 1.00 2.38 N ATOM 626 CA HIS A 43 -11.689 -15.105 4.519 1.00 2.64 C ATOM 627 C HIS A 43 -10.420 -15.113 5.357 1.00 2.45 C ATOM 628 O HIS A 43 -9.947 -16.172 5.771 1.00 2.82 O ATOM 629 CB HIS A 43 -12.857 -15.721 5.308 1.00 3.41 C ATOM 630 CG HIS A 43 -13.332 -14.880 6.463 1.00 4.12 C ATOM 631 ND1 HIS A 43 -14.556 -14.249 6.471 1.00 4.78 N ATOM 632 CD2 HIS A 43 -12.752 -14.579 7.653 1.00 4.72 C ATOM 633 CE1 HIS A 43 -14.710 -13.598 7.608 1.00 5.56 C ATOM 634 NE2 HIS A 43 -13.632 -13.782 8.342 1.00 5.56 N ATOM 0 H HIS A 43 -10.814 -16.630 3.387 1.00 2.38 H new ATOM 0 HA HIS A 43 -11.956 -14.077 4.274 1.00 2.64 H new ATOM 0 HB2 HIS A 43 -13.692 -15.889 4.628 1.00 3.41 H new ATOM 0 HB3 HIS A 43 -12.552 -16.697 5.685 1.00 3.41 H new ATOM 0 HD2 HIS A 43 -11.780 -14.905 7.994 1.00 4.72 H new ATOM 0 HE1 HIS A 43 -15.573 -13.013 7.889 1.00 5.56 H new ATOM 0 HE2 HIS A 43 -13.476 -13.395 9.273 1.00 5.56 H new ATOM 643 N GLY A 44 -9.869 -13.936 5.598 1.00 2.45 N ATOM 644 CA GLY A 44 -8.633 -13.838 6.344 1.00 2.61 C ATOM 645 C GLY A 44 -7.498 -13.320 5.490 1.00 2.52 C ATOM 646 O GLY A 44 -6.392 -13.103 5.977 1.00 3.24 O ATOM 0 H GLY A 44 -10.256 -13.044 5.290 1.00 2.45 H new ATOM 0 HA2 GLY A 44 -8.776 -13.176 7.198 1.00 2.61 H new ATOM 0 HA3 GLY A 44 -8.370 -14.818 6.741 1.00 2.61 H new ATOM 650 N HIS A 45 -7.769 -13.136 4.205 1.00 2.13 N ATOM 651 CA HIS A 45 -6.788 -12.563 3.289 1.00 2.41 C ATOM 652 C HIS A 45 -7.275 -11.210 2.792 1.00 1.96 C ATOM 653 O HIS A 45 -7.936 -11.128 1.756 1.00 1.99 O ATOM 654 CB HIS A 45 -6.529 -13.491 2.095 1.00 3.13 C ATOM 655 CG HIS A 45 -5.835 -14.768 2.453 1.00 3.69 C ATOM 656 ND1 HIS A 45 -4.520 -15.020 2.131 1.00 4.34 N ATOM 657 CD2 HIS A 45 -6.278 -15.873 3.103 1.00 4.18 C ATOM 658 CE1 HIS A 45 -4.184 -16.219 2.564 1.00 4.97 C ATOM 659 NE2 HIS A 45 -5.231 -16.756 3.159 1.00 4.90 N ATOM 0 H HIS A 45 -8.661 -13.375 3.771 1.00 2.13 H new ATOM 0 HA HIS A 45 -5.851 -12.440 3.832 1.00 2.41 H new ATOM 0 HB2 HIS A 45 -7.481 -13.728 1.620 1.00 3.13 H new ATOM 0 HB3 HIS A 45 -5.929 -12.958 1.358 1.00 3.13 H new ATOM 0 HD2 HIS A 45 -7.270 -16.028 3.502 1.00 4.18 H new ATOM 0 HE1 HIS A 45 -3.215 -16.683 2.451 1.00 4.97 H new ATOM 0 HE2 HIS A 45 -5.258 -17.680 3.591 1.00 4.90 H new ATOM 668 N PRO A 46 -6.972 -10.137 3.537 1.00 1.70 N ATOM 669 CA PRO A 46 -7.413 -8.787 3.189 1.00 1.42 C ATOM 670 C PRO A 46 -6.613 -8.201 2.032 1.00 1.09 C ATOM 671 O PRO A 46 -5.403 -8.424 1.922 1.00 1.09 O ATOM 672 CB PRO A 46 -7.167 -7.995 4.476 1.00 1.54 C ATOM 673 CG PRO A 46 -6.041 -8.701 5.150 1.00 1.86 C ATOM 674 CD PRO A 46 -6.166 -10.155 4.774 1.00 1.87 C ATOM 0 HA PRO A 46 -8.450 -8.765 2.854 1.00 1.42 H new ATOM 0 HB2 PRO A 46 -6.910 -6.958 4.259 1.00 1.54 H new ATOM 0 HB3 PRO A 46 -8.056 -7.978 5.106 1.00 1.54 H new ATOM 0 HG2 PRO A 46 -5.081 -8.298 4.828 1.00 1.86 H new ATOM 0 HG3 PRO A 46 -6.094 -8.573 6.231 1.00 1.86 H new ATOM 0 HD2 PRO A 46 -5.189 -10.609 4.607 1.00 1.87 H new ATOM 0 HD3 PRO A 46 -6.655 -10.730 5.560 1.00 1.87 H new ATOM 682 N THR A 47 -7.303 -7.465 1.169 1.00 0.89 N ATOM 683 CA THR A 47 -6.677 -6.810 0.035 1.00 0.62 C ATOM 684 C THR A 47 -5.614 -5.822 0.513 1.00 0.51 C ATOM 685 O THR A 47 -5.863 -5.020 1.416 1.00 0.59 O ATOM 686 CB THR A 47 -7.732 -6.064 -0.803 1.00 0.62 C ATOM 687 OG1 THR A 47 -8.861 -6.920 -1.036 1.00 0.76 O ATOM 688 CG2 THR A 47 -7.150 -5.611 -2.136 1.00 0.55 C ATOM 0 H THR A 47 -8.308 -7.308 1.238 1.00 0.89 H new ATOM 0 HA THR A 47 -6.204 -7.574 -0.583 1.00 0.62 H new ATOM 0 HB THR A 47 -8.048 -5.181 -0.247 1.00 0.62 H new ATOM 0 HG1 THR A 47 -9.590 -6.399 -1.432 1.00 0.76 H new ATOM 0 HG21 THR A 47 -7.916 -5.087 -2.708 1.00 0.55 H new ATOM 0 HG22 THR A 47 -6.309 -4.941 -1.957 1.00 0.55 H new ATOM 0 HG23 THR A 47 -6.808 -6.480 -2.698 1.00 0.55 H new ATOM 696 N GLN A 48 -4.437 -5.880 -0.096 1.00 0.40 N ATOM 697 CA GLN A 48 -3.311 -5.076 0.352 1.00 0.36 C ATOM 698 C GLN A 48 -2.280 -4.936 -0.758 1.00 0.33 C ATOM 699 O GLN A 48 -2.222 -5.763 -1.667 1.00 0.40 O ATOM 700 CB GLN A 48 -2.670 -5.726 1.583 1.00 0.36 C ATOM 701 CG GLN A 48 -2.151 -7.133 1.329 1.00 0.39 C ATOM 702 CD GLN A 48 -1.734 -7.853 2.597 1.00 0.49 C ATOM 703 OE1 GLN A 48 -0.586 -7.751 3.034 1.00 1.06 O ATOM 704 NE2 GLN A 48 -2.656 -8.601 3.187 1.00 1.04 N ATOM 0 H GLN A 48 -4.239 -6.475 -0.900 1.00 0.40 H new ATOM 0 HA GLN A 48 -3.672 -4.082 0.615 1.00 0.36 H new ATOM 0 HB2 GLN A 48 -1.846 -5.100 1.926 1.00 0.36 H new ATOM 0 HB3 GLN A 48 -3.403 -5.758 2.389 1.00 0.36 H new ATOM 0 HG2 GLN A 48 -2.925 -7.714 0.827 1.00 0.39 H new ATOM 0 HG3 GLN A 48 -1.299 -7.082 0.651 1.00 0.39 H new ATOM 0 HE21 GLN A 48 -3.595 -8.658 2.793 1.00 1.04 H new ATOM 0 HE22 GLN A 48 -2.426 -9.119 4.035 1.00 1.04 H new ATOM 713 N VAL A 49 -1.472 -3.892 -0.685 1.00 0.29 N ATOM 714 CA VAL A 49 -0.418 -3.695 -1.660 1.00 0.29 C ATOM 715 C VAL A 49 0.949 -3.820 -0.994 1.00 0.28 C ATOM 716 O VAL A 49 1.270 -3.104 -0.043 1.00 0.30 O ATOM 717 CB VAL A 49 -0.549 -2.335 -2.391 1.00 0.32 C ATOM 718 CG1 VAL A 49 -0.521 -1.170 -1.414 1.00 0.32 C ATOM 719 CG2 VAL A 49 0.544 -2.181 -3.438 1.00 0.36 C ATOM 0 H VAL A 49 -1.526 -3.172 0.036 1.00 0.29 H new ATOM 0 HA VAL A 49 -0.518 -4.476 -2.414 1.00 0.29 H new ATOM 0 HB VAL A 49 -1.517 -2.323 -2.893 1.00 0.32 H new ATOM 0 HG11 VAL A 49 -0.615 -0.233 -1.963 1.00 0.32 H new ATOM 0 HG12 VAL A 49 -1.349 -1.264 -0.712 1.00 0.32 H new ATOM 0 HG13 VAL A 49 0.422 -1.177 -0.867 1.00 0.32 H new ATOM 0 HG21 VAL A 49 0.434 -1.220 -3.940 1.00 0.36 H new ATOM 0 HG22 VAL A 49 1.520 -2.229 -2.955 1.00 0.36 H new ATOM 0 HG23 VAL A 49 0.462 -2.984 -4.170 1.00 0.36 H new ATOM 729 N ARG A 50 1.727 -4.775 -1.466 1.00 0.31 N ATOM 730 CA ARG A 50 3.058 -5.000 -0.938 1.00 0.30 C ATOM 731 C ARG A 50 4.115 -4.402 -1.855 1.00 0.27 C ATOM 732 O ARG A 50 4.019 -4.492 -3.079 1.00 0.30 O ATOM 733 CB ARG A 50 3.311 -6.499 -0.721 1.00 0.34 C ATOM 734 CG ARG A 50 3.045 -7.360 -1.945 1.00 0.39 C ATOM 735 CD ARG A 50 3.270 -8.835 -1.646 1.00 0.52 C ATOM 736 NE ARG A 50 2.875 -9.691 -2.764 1.00 1.34 N ATOM 737 CZ ARG A 50 2.958 -11.021 -2.757 1.00 1.60 C ATOM 738 NH1 ARG A 50 3.430 -11.663 -1.694 1.00 1.15 N ATOM 739 NH2 ARG A 50 2.565 -11.703 -3.822 1.00 2.62 N ATOM 0 H ARG A 50 1.458 -5.410 -2.218 1.00 0.31 H new ATOM 0 HA ARG A 50 3.127 -4.499 0.028 1.00 0.30 H new ATOM 0 HB2 ARG A 50 4.346 -6.640 -0.410 1.00 0.34 H new ATOM 0 HB3 ARG A 50 2.682 -6.847 0.098 1.00 0.34 H new ATOM 0 HG2 ARG A 50 2.020 -7.208 -2.283 1.00 0.39 H new ATOM 0 HG3 ARG A 50 3.699 -7.049 -2.760 1.00 0.39 H new ATOM 0 HD2 ARG A 50 4.323 -9.001 -1.417 1.00 0.52 H new ATOM 0 HD3 ARG A 50 2.703 -9.115 -0.758 1.00 0.52 H new ATOM 0 HE ARG A 50 2.512 -9.241 -3.604 1.00 1.34 H new ATOM 0 HH11 ARG A 50 3.733 -11.138 -0.874 1.00 1.15 H new ATOM 0 HH12 ARG A 50 3.490 -12.681 -1.698 1.00 1.15 H new ATOM 0 HH21 ARG A 50 2.203 -11.210 -4.638 1.00 2.62 H new ATOM 0 HH22 ARG A 50 2.625 -12.721 -3.826 1.00 2.62 H new ATOM 753 N ILE A 51 5.107 -3.774 -1.249 1.00 0.24 N ATOM 754 CA ILE A 51 6.218 -3.203 -1.983 1.00 0.23 C ATOM 755 C ILE A 51 7.462 -4.035 -1.714 1.00 0.24 C ATOM 756 O ILE A 51 7.936 -4.106 -0.580 1.00 0.27 O ATOM 757 CB ILE A 51 6.488 -1.741 -1.568 1.00 0.28 C ATOM 758 CG1 ILE A 51 5.178 -0.949 -1.519 1.00 0.34 C ATOM 759 CG2 ILE A 51 7.466 -1.092 -2.540 1.00 0.31 C ATOM 760 CD1 ILE A 51 5.345 0.477 -1.037 1.00 0.42 C ATOM 0 H ILE A 51 5.164 -3.647 -0.239 1.00 0.24 H new ATOM 0 HA ILE A 51 5.966 -3.210 -3.043 1.00 0.23 H new ATOM 0 HB ILE A 51 6.930 -1.736 -0.572 1.00 0.28 H new ATOM 0 HG12 ILE A 51 4.734 -0.937 -2.514 1.00 0.34 H new ATOM 0 HG13 ILE A 51 4.476 -1.465 -0.863 1.00 0.34 H new ATOM 0 HG21 ILE A 51 7.649 -0.061 -2.238 1.00 0.31 H new ATOM 0 HG22 ILE A 51 8.406 -1.644 -2.534 1.00 0.31 H new ATOM 0 HG23 ILE A 51 7.044 -1.106 -3.545 1.00 0.31 H new ATOM 0 HD11 ILE A 51 4.375 0.974 -1.029 1.00 0.42 H new ATOM 0 HD12 ILE A 51 5.759 0.474 -0.029 1.00 0.42 H new ATOM 0 HD13 ILE A 51 6.021 1.010 -1.706 1.00 0.42 H new ATOM 772 N VAL A 52 7.963 -4.684 -2.749 1.00 0.24 N ATOM 773 CA VAL A 52 9.102 -5.569 -2.613 1.00 0.30 C ATOM 774 C VAL A 52 10.280 -5.054 -3.432 1.00 0.34 C ATOM 775 O VAL A 52 10.117 -4.603 -4.568 1.00 0.33 O ATOM 776 CB VAL A 52 8.756 -7.011 -3.061 1.00 0.36 C ATOM 777 CG1 VAL A 52 9.910 -7.967 -2.782 1.00 0.46 C ATOM 778 CG2 VAL A 52 7.483 -7.499 -2.382 1.00 0.38 C ATOM 0 H VAL A 52 7.595 -4.613 -3.698 1.00 0.24 H new ATOM 0 HA VAL A 52 9.373 -5.589 -1.558 1.00 0.30 H new ATOM 0 HB VAL A 52 8.586 -6.991 -4.138 1.00 0.36 H new ATOM 0 HG11 VAL A 52 9.637 -8.971 -3.107 1.00 0.46 H new ATOM 0 HG12 VAL A 52 10.795 -7.637 -3.326 1.00 0.46 H new ATOM 0 HG13 VAL A 52 10.124 -7.977 -1.713 1.00 0.46 H new ATOM 0 HG21 VAL A 52 7.260 -8.514 -2.712 1.00 0.38 H new ATOM 0 HG22 VAL A 52 7.621 -7.491 -1.301 1.00 0.38 H new ATOM 0 HG23 VAL A 52 6.655 -6.842 -2.646 1.00 0.38 H new ATOM 788 N ALA A 53 11.459 -5.118 -2.844 1.00 0.42 N ATOM 789 CA ALA A 53 12.681 -4.713 -3.513 1.00 0.53 C ATOM 790 C ALA A 53 13.694 -5.848 -3.441 1.00 0.73 C ATOM 791 O ALA A 53 14.327 -6.049 -2.404 1.00 0.93 O ATOM 792 CB ALA A 53 13.245 -3.449 -2.880 1.00 0.70 C ATOM 0 H ALA A 53 11.597 -5.452 -1.890 1.00 0.42 H new ATOM 0 HA ALA A 53 12.462 -4.494 -4.558 1.00 0.53 H new ATOM 0 HB1 ALA A 53 14.161 -3.161 -3.396 1.00 0.70 H new ATOM 0 HB2 ALA A 53 12.515 -2.644 -2.962 1.00 0.70 H new ATOM 0 HB3 ALA A 53 13.464 -3.635 -1.828 1.00 0.70 H new ATOM 798 N PRO A 54 13.834 -6.622 -4.532 1.00 0.85 N ATOM 799 CA PRO A 54 14.741 -7.776 -4.577 1.00 1.12 C ATOM 800 C PRO A 54 16.185 -7.371 -4.308 1.00 1.33 C ATOM 801 O PRO A 54 16.880 -6.872 -5.197 1.00 1.67 O ATOM 802 CB PRO A 54 14.591 -8.307 -6.008 1.00 1.38 C ATOM 803 CG PRO A 54 13.291 -7.758 -6.490 1.00 1.38 C ATOM 804 CD PRO A 54 13.129 -6.429 -5.810 1.00 0.90 C ATOM 0 HA PRO A 54 14.497 -8.516 -3.815 1.00 1.12 H new ATOM 0 HB2 PRO A 54 15.416 -7.978 -6.639 1.00 1.38 H new ATOM 0 HB3 PRO A 54 14.590 -9.397 -6.026 1.00 1.38 H new ATOM 0 HG2 PRO A 54 13.293 -7.645 -7.574 1.00 1.38 H new ATOM 0 HG3 PRO A 54 12.468 -8.427 -6.241 1.00 1.38 H new ATOM 0 HD2 PRO A 54 13.568 -5.620 -6.395 1.00 0.90 H new ATOM 0 HD3 PRO A 54 12.079 -6.179 -5.658 1.00 0.90 H new ATOM 812 N HIS A 55 16.629 -7.577 -3.078 1.00 1.70 N ATOM 813 CA HIS A 55 17.957 -7.161 -2.672 1.00 2.07 C ATOM 814 C HIS A 55 18.602 -8.207 -1.768 1.00 2.00 C ATOM 815 O HIS A 55 18.676 -8.039 -0.553 1.00 2.68 O ATOM 816 CB HIS A 55 17.893 -5.798 -1.965 1.00 3.16 C ATOM 817 CG HIS A 55 19.225 -5.259 -1.534 1.00 3.95 C ATOM 818 ND1 HIS A 55 20.126 -4.680 -2.401 1.00 4.65 N ATOM 819 CD2 HIS A 55 19.799 -5.200 -0.310 1.00 4.64 C ATOM 820 CE1 HIS A 55 21.191 -4.287 -1.729 1.00 5.54 C ATOM 821 NE2 HIS A 55 21.018 -4.591 -0.460 1.00 5.53 N ATOM 0 H HIS A 55 16.086 -8.031 -2.344 1.00 1.70 H new ATOM 0 HA HIS A 55 18.575 -7.062 -3.564 1.00 2.07 H new ATOM 0 HB2 HIS A 55 17.423 -5.077 -2.634 1.00 3.16 H new ATOM 0 HB3 HIS A 55 17.250 -5.887 -1.089 1.00 3.16 H new ATOM 0 HD1 HIS A 55 19.991 -4.572 -3.406 1.00 4.65 H new ATOM 0 HD2 HIS A 55 19.375 -5.565 0.614 1.00 4.64 H new ATOM 0 HE1 HIS A 55 22.058 -3.799 -2.149 1.00 5.54 H new ATOM 830 N ALA A 56 19.061 -9.292 -2.371 1.00 2.11 N ATOM 831 CA ALA A 56 19.874 -10.268 -1.658 1.00 2.93 C ATOM 832 C ALA A 56 21.341 -9.899 -1.832 1.00 3.03 C ATOM 833 O ALA A 56 22.245 -10.715 -1.661 1.00 3.40 O ATOM 834 CB ALA A 56 19.601 -11.675 -2.168 1.00 3.83 C ATOM 0 H ALA A 56 18.886 -9.520 -3.350 1.00 2.11 H new ATOM 0 HA ALA A 56 19.619 -10.254 -0.598 1.00 2.93 H new ATOM 0 HB1 ALA A 56 20.219 -12.387 -1.621 1.00 3.83 H new ATOM 0 HB2 ALA A 56 18.549 -11.918 -2.019 1.00 3.83 H new ATOM 0 HB3 ALA A 56 19.839 -11.729 -3.230 1.00 3.83 H new ATOM 840 N GLU A 57 21.547 -8.638 -2.178 1.00 3.26 N ATOM 841 CA GLU A 57 22.861 -8.105 -2.479 1.00 3.76 C ATOM 842 C GLU A 57 23.564 -7.659 -1.202 1.00 3.61 C ATOM 843 O GLU A 57 22.943 -7.082 -0.307 1.00 3.99 O ATOM 844 CB GLU A 57 22.713 -6.916 -3.430 1.00 4.58 C ATOM 845 CG GLU A 57 21.799 -7.192 -4.614 1.00 5.31 C ATOM 846 CD GLU A 57 21.384 -5.925 -5.330 1.00 5.69 C ATOM 847 OE1 GLU A 57 22.115 -5.486 -6.237 1.00 6.04 O ATOM 848 OE2 GLU A 57 20.333 -5.350 -4.973 1.00 5.97 O ATOM 0 H GLU A 57 20.797 -7.951 -2.258 1.00 3.26 H new ATOM 0 HA GLU A 57 23.462 -8.884 -2.949 1.00 3.76 H new ATOM 0 HB2 GLU A 57 22.325 -6.063 -2.874 1.00 4.58 H new ATOM 0 HB3 GLU A 57 23.698 -6.633 -3.801 1.00 4.58 H new ATOM 0 HG2 GLU A 57 22.308 -7.853 -5.316 1.00 5.31 H new ATOM 0 HG3 GLU A 57 20.910 -7.719 -4.268 1.00 5.31 H new ATOM 855 N HIS A 58 24.860 -7.912 -1.128 1.00 3.56 N ATOM 856 CA HIS A 58 25.649 -7.526 0.039 1.00 3.76 C ATOM 857 C HIS A 58 26.457 -6.262 -0.242 1.00 3.57 C ATOM 858 O HIS A 58 27.445 -5.984 0.433 1.00 4.09 O ATOM 859 CB HIS A 58 26.585 -8.663 0.474 1.00 4.54 C ATOM 860 CG HIS A 58 25.898 -9.773 1.215 1.00 5.13 C ATOM 861 ND1 HIS A 58 26.206 -10.110 2.517 1.00 5.69 N ATOM 862 CD2 HIS A 58 24.920 -10.632 0.832 1.00 5.69 C ATOM 863 CE1 HIS A 58 25.449 -11.120 2.902 1.00 6.45 C ATOM 864 NE2 HIS A 58 24.660 -11.456 1.899 1.00 6.46 N ATOM 0 H HIS A 58 25.392 -8.383 -1.860 1.00 3.56 H new ATOM 0 HA HIS A 58 24.953 -7.321 0.852 1.00 3.76 H new ATOM 0 HB2 HIS A 58 27.071 -9.077 -0.409 1.00 4.54 H new ATOM 0 HB3 HIS A 58 27.371 -8.250 1.107 1.00 4.54 H new ATOM 0 HD2 HIS A 58 24.436 -10.662 -0.133 1.00 5.69 H new ATOM 0 HE1 HIS A 58 25.471 -11.592 3.873 1.00 6.45 H new ATOM 0 HE2 HIS A 58 23.969 -12.206 1.914 1.00 6.46 H new ATOM 873 N VAL A 59 26.027 -5.491 -1.233 1.00 3.30 N ATOM 874 CA VAL A 59 26.732 -4.274 -1.610 1.00 3.48 C ATOM 875 C VAL A 59 25.791 -3.071 -1.581 1.00 2.89 C ATOM 876 O VAL A 59 25.229 -2.688 -2.609 1.00 3.24 O ATOM 877 CB VAL A 59 27.358 -4.392 -3.019 1.00 4.38 C ATOM 878 CG1 VAL A 59 28.240 -3.188 -3.319 1.00 5.11 C ATOM 879 CG2 VAL A 59 28.149 -5.684 -3.155 1.00 5.10 C ATOM 0 H VAL A 59 25.195 -5.687 -1.789 1.00 3.30 H new ATOM 0 HA VAL A 59 27.531 -4.131 -0.882 1.00 3.48 H new ATOM 0 HB VAL A 59 26.548 -4.413 -3.748 1.00 4.38 H new ATOM 0 HG11 VAL A 59 28.670 -3.291 -4.315 1.00 5.11 H new ATOM 0 HG12 VAL A 59 27.641 -2.278 -3.275 1.00 5.11 H new ATOM 0 HG13 VAL A 59 29.041 -3.131 -2.582 1.00 5.11 H new ATOM 0 HG21 VAL A 59 28.579 -5.744 -4.155 1.00 5.10 H new ATOM 0 HG22 VAL A 59 28.948 -5.701 -2.414 1.00 5.10 H new ATOM 0 HG23 VAL A 59 27.487 -6.535 -2.994 1.00 5.10 H new ATOM 889 N ARG A 60 25.601 -2.503 -0.391 1.00 2.60 N ATOM 890 CA ARG A 60 24.798 -1.293 -0.228 1.00 2.50 C ATOM 891 C ARG A 60 24.819 -0.831 1.225 1.00 2.31 C ATOM 892 O ARG A 60 25.219 0.292 1.530 1.00 2.94 O ATOM 893 CB ARG A 60 23.345 -1.529 -0.662 1.00 3.03 C ATOM 894 CG ARG A 60 22.531 -0.250 -0.779 1.00 3.53 C ATOM 895 CD ARG A 60 23.069 0.655 -1.880 1.00 4.11 C ATOM 896 NE ARG A 60 23.047 0.002 -3.186 1.00 4.48 N ATOM 897 CZ ARG A 60 23.621 0.499 -4.281 1.00 5.30 C ATOM 898 NH1 ARG A 60 24.271 1.657 -4.237 1.00 5.79 N ATOM 899 NH2 ARG A 60 23.545 -0.164 -5.426 1.00 5.97 N ATOM 0 H ARG A 60 25.995 -2.864 0.478 1.00 2.60 H new ATOM 0 HA ARG A 60 25.234 -0.522 -0.863 1.00 2.50 H new ATOM 0 HB2 ARG A 60 23.340 -2.042 -1.624 1.00 3.03 H new ATOM 0 HB3 ARG A 60 22.863 -2.193 0.056 1.00 3.03 H new ATOM 0 HG2 ARG A 60 21.490 -0.498 -0.986 1.00 3.53 H new ATOM 0 HG3 ARG A 60 22.549 0.282 0.172 1.00 3.53 H new ATOM 0 HD2 ARG A 60 22.475 1.568 -1.921 1.00 4.11 H new ATOM 0 HD3 ARG A 60 24.090 0.950 -1.640 1.00 4.11 H new ATOM 0 HE ARG A 60 22.561 -0.891 -3.265 1.00 4.48 H new ATOM 0 HH11 ARG A 60 24.334 2.174 -3.360 1.00 5.79 H new ATOM 0 HH12 ARG A 60 24.707 2.029 -5.080 1.00 5.79 H new ATOM 0 HH21 ARG A 60 23.048 -1.053 -5.468 1.00 5.97 H new ATOM 0 HH22 ARG A 60 23.984 0.215 -6.265 1.00 5.97 H new ATOM 913 N GLY A 61 24.383 -1.707 2.115 1.00 1.94 N ATOM 914 CA GLY A 61 24.318 -1.379 3.527 1.00 1.93 C ATOM 915 C GLY A 61 23.661 -2.485 4.319 1.00 1.61 C ATOM 916 O GLY A 61 24.334 -3.259 5.000 1.00 1.76 O ATOM 0 H GLY A 61 24.069 -2.650 1.884 1.00 1.94 H new ATOM 0 HA2 GLY A 61 25.324 -1.204 3.908 1.00 1.93 H new ATOM 0 HA3 GLY A 61 23.761 -0.452 3.662 1.00 1.93 H new ATOM 920 N TYR A 62 22.345 -2.569 4.226 1.00 1.30 N ATOM 921 CA TYR A 62 21.616 -3.669 4.835 1.00 1.07 C ATOM 922 C TYR A 62 21.225 -4.672 3.760 1.00 0.90 C ATOM 923 O TYR A 62 20.664 -4.302 2.730 1.00 0.91 O ATOM 924 CB TYR A 62 20.365 -3.171 5.573 1.00 1.04 C ATOM 925 CG TYR A 62 20.666 -2.332 6.801 1.00 1.31 C ATOM 926 CD1 TYR A 62 20.839 -0.955 6.696 1.00 1.51 C ATOM 927 CD2 TYR A 62 20.780 -2.912 8.060 1.00 1.54 C ATOM 928 CE1 TYR A 62 21.117 -0.184 7.809 1.00 1.79 C ATOM 929 CE2 TYR A 62 21.058 -2.143 9.177 1.00 1.83 C ATOM 930 CZ TYR A 62 21.215 -0.802 9.062 1.00 1.91 C ATOM 931 OH TYR A 62 21.503 -0.011 10.155 1.00 2.22 O ATOM 0 H TYR A 62 21.761 -1.891 3.736 1.00 1.30 H new ATOM 0 HA TYR A 62 22.264 -4.149 5.568 1.00 1.07 H new ATOM 0 HB2 TYR A 62 19.759 -2.583 4.884 1.00 1.04 H new ATOM 0 HB3 TYR A 62 19.765 -4.031 5.871 1.00 1.04 H new ATOM 0 HD1 TYR A 62 20.755 -0.481 5.729 1.00 1.51 H new ATOM 0 HD2 TYR A 62 20.650 -3.979 8.168 1.00 1.54 H new ATOM 0 HE1 TYR A 62 21.257 0.883 7.714 1.00 1.79 H new ATOM 0 HE2 TYR A 62 21.150 -2.614 10.145 1.00 1.83 H new ATOM 0 HH TYR A 62 21.541 -0.568 10.961 1.00 2.22 H new ATOM 941 N ALA A 63 21.523 -5.942 3.997 1.00 0.92 N ATOM 942 CA ALA A 63 21.220 -6.993 3.035 1.00 0.91 C ATOM 943 C ALA A 63 19.810 -7.530 3.250 1.00 0.78 C ATOM 944 O ALA A 63 19.554 -8.725 3.107 1.00 0.94 O ATOM 945 CB ALA A 63 22.244 -8.112 3.135 1.00 1.16 C ATOM 0 H ALA A 63 21.976 -6.270 4.850 1.00 0.92 H new ATOM 0 HA ALA A 63 21.270 -6.569 2.032 1.00 0.91 H new ATOM 0 HB1 ALA A 63 22.005 -8.890 2.410 1.00 1.16 H new ATOM 0 HB2 ALA A 63 23.238 -7.715 2.927 1.00 1.16 H new ATOM 0 HB3 ALA A 63 22.225 -8.534 4.140 1.00 1.16 H new ATOM 951 N HIS A 64 18.901 -6.633 3.592 1.00 0.60 N ATOM 952 CA HIS A 64 17.515 -6.994 3.833 1.00 0.51 C ATOM 953 C HIS A 64 16.635 -6.399 2.749 1.00 0.47 C ATOM 954 O HIS A 64 16.503 -5.176 2.656 1.00 0.48 O ATOM 955 CB HIS A 64 17.048 -6.504 5.208 1.00 0.54 C ATOM 956 CG HIS A 64 17.739 -7.173 6.355 1.00 0.73 C ATOM 957 ND1 HIS A 64 17.215 -8.260 7.016 1.00 0.99 N ATOM 958 CD2 HIS A 64 18.919 -6.904 6.959 1.00 1.01 C ATOM 959 CE1 HIS A 64 18.041 -8.631 7.974 1.00 1.13 C ATOM 960 NE2 HIS A 64 19.086 -7.824 7.962 1.00 1.10 N ATOM 0 H HIS A 64 19.101 -5.640 3.710 1.00 0.60 H new ATOM 0 HA HIS A 64 17.436 -8.081 3.814 1.00 0.51 H new ATOM 0 HB2 HIS A 64 17.212 -5.428 5.275 1.00 0.54 H new ATOM 0 HB3 HIS A 64 15.974 -6.669 5.297 1.00 0.54 H new ATOM 0 HD2 HIS A 64 19.604 -6.110 6.699 1.00 1.01 H new ATOM 0 HE1 HIS A 64 17.889 -9.456 8.654 1.00 1.13 H new ATOM 0 HE2 HIS A 64 19.885 -7.876 8.594 1.00 1.10 H new ATOM 969 N PRO A 65 16.051 -7.249 1.895 1.00 0.58 N ATOM 970 CA PRO A 65 15.156 -6.804 0.829 1.00 0.64 C ATOM 971 C PRO A 65 13.920 -6.120 1.389 1.00 0.53 C ATOM 972 O PRO A 65 13.263 -6.649 2.289 1.00 0.54 O ATOM 973 CB PRO A 65 14.765 -8.095 0.101 1.00 0.84 C ATOM 974 CG PRO A 65 15.771 -9.109 0.526 1.00 1.08 C ATOM 975 CD PRO A 65 16.217 -8.708 1.902 1.00 0.77 C ATOM 0 HA PRO A 65 15.634 -6.074 0.176 1.00 0.64 H new ATOM 0 HB2 PRO A 65 13.755 -8.407 0.369 1.00 0.84 H new ATOM 0 HB3 PRO A 65 14.779 -7.956 -0.980 1.00 0.84 H new ATOM 0 HG2 PRO A 65 15.336 -10.109 0.534 1.00 1.08 H new ATOM 0 HG3 PRO A 65 16.614 -9.134 -0.164 1.00 1.08 H new ATOM 0 HD2 PRO A 65 15.610 -9.179 2.675 1.00 0.77 H new ATOM 0 HD3 PRO A 65 17.252 -8.995 2.090 1.00 0.77 H new ATOM 983 N LEU A 66 13.621 -4.943 0.857 1.00 0.50 N ATOM 984 CA LEU A 66 12.484 -4.161 1.309 1.00 0.44 C ATOM 985 C LEU A 66 11.194 -4.943 1.082 1.00 0.35 C ATOM 986 O LEU A 66 10.910 -5.383 -0.032 1.00 0.37 O ATOM 987 CB LEU A 66 12.462 -2.818 0.565 1.00 0.52 C ATOM 988 CG LEU A 66 11.587 -1.716 1.172 1.00 0.71 C ATOM 989 CD1 LEU A 66 12.020 -0.361 0.637 1.00 1.20 C ATOM 990 CD2 LEU A 66 10.114 -1.946 0.862 1.00 1.05 C ATOM 0 H LEU A 66 14.157 -4.508 0.106 1.00 0.50 H new ATOM 0 HA LEU A 66 12.571 -3.961 2.377 1.00 0.44 H new ATOM 0 HB2 LEU A 66 13.485 -2.446 0.502 1.00 0.52 H new ATOM 0 HB3 LEU A 66 12.125 -2.999 -0.456 1.00 0.52 H new ATOM 0 HG LEU A 66 11.714 -1.740 2.254 1.00 0.71 H new ATOM 0 HD11 LEU A 66 11.395 0.419 1.072 1.00 1.20 H new ATOM 0 HD12 LEU A 66 13.062 -0.181 0.903 1.00 1.20 H new ATOM 0 HD13 LEU A 66 11.915 -0.348 -0.448 1.00 1.20 H new ATOM 0 HD21 LEU A 66 9.520 -1.148 1.306 1.00 1.05 H new ATOM 0 HD22 LEU A 66 9.966 -1.951 -0.218 1.00 1.05 H new ATOM 0 HD23 LEU A 66 9.801 -2.905 1.275 1.00 1.05 H new ATOM 1002 N ASN A 67 10.434 -5.130 2.149 1.00 0.32 N ATOM 1003 CA ASN A 67 9.200 -5.897 2.093 1.00 0.31 C ATOM 1004 C ASN A 67 8.156 -5.233 2.977 1.00 0.30 C ATOM 1005 O ASN A 67 8.061 -5.519 4.175 1.00 0.40 O ATOM 1006 CB ASN A 67 9.458 -7.346 2.540 1.00 0.42 C ATOM 1007 CG ASN A 67 8.294 -8.299 2.279 1.00 0.51 C ATOM 1008 OD1 ASN A 67 7.067 -7.856 2.511 1.00 0.63 O flip ATOM 1009 ND2 ASN A 67 8.507 -9.453 1.907 1.00 0.54 N flip ATOM 0 H ASN A 67 10.653 -4.757 3.073 1.00 0.32 H new ATOM 0 HA ASN A 67 8.829 -5.922 1.068 1.00 0.31 H new ATOM 0 HB2 ASN A 67 10.342 -7.721 2.025 1.00 0.42 H new ATOM 0 HB3 ASN A 67 9.684 -7.350 3.606 1.00 0.42 H new ATOM 0 HD21 ASN A 67 9.463 -9.766 1.736 1.00 0.54 H new ATOM 0 HD22 ASN A 67 7.728 -10.097 1.769 1.00 0.54 H new ATOM 1016 N LEU A 68 7.374 -4.355 2.376 1.00 0.26 N ATOM 1017 CA LEU A 68 6.366 -3.600 3.101 1.00 0.24 C ATOM 1018 C LEU A 68 4.969 -4.035 2.684 1.00 0.23 C ATOM 1019 O LEU A 68 4.674 -4.142 1.499 1.00 0.25 O ATOM 1020 CB LEU A 68 6.543 -2.098 2.839 1.00 0.26 C ATOM 1021 CG LEU A 68 5.444 -1.195 3.406 1.00 0.27 C ATOM 1022 CD1 LEU A 68 5.446 -1.222 4.923 1.00 0.31 C ATOM 1023 CD2 LEU A 68 5.614 0.228 2.902 1.00 0.32 C ATOM 0 H LEU A 68 7.418 -4.145 1.379 1.00 0.26 H new ATOM 0 HA LEU A 68 6.489 -3.795 4.166 1.00 0.24 H new ATOM 0 HB2 LEU A 68 7.499 -1.784 3.258 1.00 0.26 H new ATOM 0 HB3 LEU A 68 6.600 -1.939 1.762 1.00 0.26 H new ATOM 0 HG LEU A 68 4.483 -1.576 3.061 1.00 0.27 H new ATOM 0 HD11 LEU A 68 4.656 -0.572 5.300 1.00 0.31 H new ATOM 0 HD12 LEU A 68 5.273 -2.241 5.269 1.00 0.31 H new ATOM 0 HD13 LEU A 68 6.410 -0.872 5.292 1.00 0.31 H new ATOM 0 HD21 LEU A 68 4.825 0.857 3.314 1.00 0.32 H new ATOM 0 HD22 LEU A 68 6.585 0.612 3.216 1.00 0.32 H new ATOM 0 HD23 LEU A 68 5.554 0.238 1.814 1.00 0.32 H new ATOM 1035 N ALA A 69 4.125 -4.302 3.663 1.00 0.24 N ATOM 1036 CA ALA A 69 2.735 -4.629 3.392 1.00 0.25 C ATOM 1037 C ALA A 69 1.818 -3.542 3.928 1.00 0.24 C ATOM 1038 O ALA A 69 1.723 -3.334 5.137 1.00 0.28 O ATOM 1039 CB ALA A 69 2.371 -5.970 4.004 1.00 0.30 C ATOM 0 H ALA A 69 4.376 -4.299 4.652 1.00 0.24 H new ATOM 0 HA ALA A 69 2.605 -4.694 2.312 1.00 0.25 H new ATOM 0 HB1 ALA A 69 1.326 -6.196 3.790 1.00 0.30 H new ATOM 0 HB2 ALA A 69 3.005 -6.748 3.579 1.00 0.30 H new ATOM 0 HB3 ALA A 69 2.520 -5.930 5.083 1.00 0.30 H new ATOM 1045 N LEU A 70 1.156 -2.847 3.019 1.00 0.22 N ATOM 1046 CA LEU A 70 0.249 -1.773 3.384 1.00 0.22 C ATOM 1047 C LEU A 70 -1.181 -2.287 3.430 1.00 0.23 C ATOM 1048 O LEU A 70 -1.753 -2.640 2.398 1.00 0.28 O ATOM 1049 CB LEU A 70 0.354 -0.627 2.372 1.00 0.23 C ATOM 1050 CG LEU A 70 1.706 0.092 2.320 1.00 0.23 C ATOM 1051 CD1 LEU A 70 1.788 0.971 1.087 1.00 0.27 C ATOM 1052 CD2 LEU A 70 1.917 0.929 3.572 1.00 0.25 C ATOM 0 H LEU A 70 1.231 -3.009 2.015 1.00 0.22 H new ATOM 0 HA LEU A 70 0.526 -1.404 4.371 1.00 0.22 H new ATOM 0 HB2 LEU A 70 0.135 -1.022 1.380 1.00 0.23 H new ATOM 0 HB3 LEU A 70 -0.419 0.107 2.601 1.00 0.23 H new ATOM 0 HG LEU A 70 2.492 -0.661 2.270 1.00 0.23 H new ATOM 0 HD11 LEU A 70 2.754 1.476 1.063 1.00 0.27 H new ATOM 0 HD12 LEU A 70 1.678 0.356 0.194 1.00 0.27 H new ATOM 0 HD13 LEU A 70 0.991 1.714 1.116 1.00 0.27 H new ATOM 0 HD21 LEU A 70 2.883 1.431 3.515 1.00 0.25 H new ATOM 0 HD22 LEU A 70 1.125 1.674 3.650 1.00 0.25 H new ATOM 0 HD23 LEU A 70 1.895 0.283 4.450 1.00 0.25 H new ATOM 1064 N THR A 71 -1.749 -2.342 4.623 1.00 0.21 N ATOM 1065 CA THR A 71 -3.127 -2.773 4.780 1.00 0.23 C ATOM 1066 C THR A 71 -3.962 -1.632 5.348 1.00 0.22 C ATOM 1067 O THR A 71 -3.456 -0.811 6.115 1.00 0.21 O ATOM 1068 CB THR A 71 -3.231 -4.008 5.709 1.00 0.29 C ATOM 1069 OG1 THR A 71 -2.692 -3.706 7.001 1.00 0.75 O ATOM 1070 CG2 THR A 71 -2.483 -5.199 5.131 1.00 0.52 C ATOM 0 H THR A 71 -1.279 -2.095 5.494 1.00 0.21 H new ATOM 0 HA THR A 71 -3.506 -3.055 3.798 1.00 0.23 H new ATOM 0 HB THR A 71 -4.287 -4.262 5.797 1.00 0.29 H new ATOM 0 HG1 THR A 71 -1.846 -3.223 6.898 1.00 0.75 H new ATOM 0 HG21 THR A 71 -2.575 -6.049 5.807 1.00 0.52 H new ATOM 0 HG22 THR A 71 -2.907 -5.459 4.161 1.00 0.52 H new ATOM 0 HG23 THR A 71 -1.430 -4.944 5.011 1.00 0.52 H new ATOM 1078 N TRP A 72 -5.235 -1.588 4.986 1.00 0.25 N ATOM 1079 CA TRP A 72 -6.116 -0.522 5.436 1.00 0.27 C ATOM 1080 C TRP A 72 -7.331 -1.092 6.145 1.00 0.28 C ATOM 1081 O TRP A 72 -7.771 -2.207 5.856 1.00 0.32 O ATOM 1082 CB TRP A 72 -6.551 0.362 4.259 1.00 0.31 C ATOM 1083 CG TRP A 72 -5.456 1.251 3.748 1.00 0.29 C ATOM 1084 CD1 TRP A 72 -5.124 2.490 4.220 1.00 0.32 C ATOM 1085 CD2 TRP A 72 -4.551 0.978 2.670 1.00 0.28 C ATOM 1086 NE1 TRP A 72 -4.064 2.998 3.509 1.00 0.32 N ATOM 1087 CE2 TRP A 72 -3.697 2.091 2.551 1.00 0.29 C ATOM 1088 CE3 TRP A 72 -4.379 -0.099 1.796 1.00 0.29 C ATOM 1089 CZ2 TRP A 72 -2.688 2.157 1.595 1.00 0.30 C ATOM 1090 CZ3 TRP A 72 -3.376 -0.032 0.848 1.00 0.31 C ATOM 1091 CH2 TRP A 72 -2.542 1.090 0.755 1.00 0.31 C ATOM 0 H TRP A 72 -5.681 -2.278 4.382 1.00 0.25 H new ATOM 0 HA TRP A 72 -5.562 0.096 6.142 1.00 0.27 H new ATOM 0 HB2 TRP A 72 -6.902 -0.274 3.446 1.00 0.31 H new ATOM 0 HB3 TRP A 72 -7.395 0.978 4.569 1.00 0.31 H new ATOM 0 HD1 TRP A 72 -5.622 2.996 5.034 1.00 0.32 H new ATOM 0 HE1 TRP A 72 -3.622 3.903 3.669 1.00 0.32 H new ATOM 0 HE3 TRP A 72 -5.018 -0.967 1.860 1.00 0.29 H new ATOM 0 HZ2 TRP A 72 -2.044 3.021 1.520 1.00 0.30 H new ATOM 0 HZ3 TRP A 72 -3.233 -0.858 0.167 1.00 0.31 H new ATOM 0 HH2 TRP A 72 -1.767 1.112 0.003 1.00 0.31 H new ATOM 1102 N ASN A 73 -7.850 -0.319 7.088 1.00 0.31 N ATOM 1103 CA ASN A 73 -9.011 -0.712 7.872 1.00 0.35 C ATOM 1104 C ASN A 73 -10.209 -0.988 6.975 1.00 0.31 C ATOM 1105 O ASN A 73 -10.569 -0.172 6.130 1.00 0.30 O ATOM 1106 CB ASN A 73 -9.343 0.382 8.890 1.00 0.45 C ATOM 1107 CG ASN A 73 -8.371 0.380 10.055 1.00 0.76 C ATOM 1108 OD1 ASN A 73 -7.868 -0.674 10.449 1.00 1.02 O ATOM 1109 ND2 ASN A 73 -8.077 1.550 10.600 1.00 0.94 N ATOM 0 H ASN A 73 -7.477 0.599 7.331 1.00 0.31 H new ATOM 0 HA ASN A 73 -8.774 -1.634 8.404 1.00 0.35 H new ATOM 0 HB2 ASN A 73 -9.320 1.355 8.399 1.00 0.45 H new ATOM 0 HB3 ASN A 73 -10.357 0.237 9.262 1.00 0.45 H new ATOM 0 HD21 ASN A 73 -7.414 1.600 11.373 1.00 0.94 H new ATOM 0 HD22 ASN A 73 -8.514 2.401 10.247 1.00 0.94 H new ATOM 1116 N THR A 74 -10.815 -2.157 7.175 1.00 0.36 N ATOM 1117 CA THR A 74 -11.943 -2.612 6.366 1.00 0.38 C ATOM 1118 C THR A 74 -13.109 -1.622 6.420 1.00 0.37 C ATOM 1119 O THR A 74 -13.891 -1.517 5.475 1.00 0.38 O ATOM 1120 CB THR A 74 -12.416 -4.004 6.836 1.00 0.50 C ATOM 1121 OG1 THR A 74 -11.297 -4.901 6.872 1.00 0.74 O ATOM 1122 CG2 THR A 74 -13.489 -4.575 5.916 1.00 0.71 C ATOM 0 H THR A 74 -10.537 -2.815 7.903 1.00 0.36 H new ATOM 0 HA THR A 74 -11.601 -2.677 5.333 1.00 0.38 H new ATOM 0 HB THR A 74 -12.847 -3.894 7.831 1.00 0.50 H new ATOM 0 HG1 THR A 74 -11.596 -5.785 7.172 1.00 0.74 H new ATOM 0 HG21 THR A 74 -13.796 -5.555 6.280 1.00 0.71 H new ATOM 0 HG22 THR A 74 -14.350 -3.907 5.903 1.00 0.71 H new ATOM 0 HG23 THR A 74 -13.089 -4.672 4.907 1.00 0.71 H new ATOM 1130 N ASP A 75 -13.213 -0.893 7.522 1.00 0.39 N ATOM 1131 CA ASP A 75 -14.241 0.134 7.659 1.00 0.45 C ATOM 1132 C ASP A 75 -13.944 1.307 6.736 1.00 0.40 C ATOM 1133 O ASP A 75 -14.849 1.857 6.116 1.00 0.44 O ATOM 1134 CB ASP A 75 -14.355 0.611 9.105 1.00 0.55 C ATOM 1135 CG ASP A 75 -14.961 -0.442 10.004 1.00 1.11 C ATOM 1136 OD1 ASP A 75 -16.201 -0.482 10.129 1.00 1.37 O ATOM 1137 OD2 ASP A 75 -14.199 -1.230 10.607 1.00 1.98 O ATOM 0 H ASP A 75 -12.602 -0.991 8.333 1.00 0.39 H new ATOM 0 HA ASP A 75 -15.197 -0.306 7.373 1.00 0.45 H new ATOM 0 HB2 ASP A 75 -13.366 0.879 9.477 1.00 0.55 H new ATOM 0 HB3 ASP A 75 -14.965 1.513 9.142 1.00 0.55 H new ATOM 1142 N GLU A 76 -12.672 1.685 6.663 1.00 0.39 N ATOM 1143 CA GLU A 76 -12.217 2.696 5.712 1.00 0.44 C ATOM 1144 C GLU A 76 -12.523 2.259 4.281 1.00 0.38 C ATOM 1145 O GLU A 76 -12.941 3.063 3.452 1.00 0.41 O ATOM 1146 CB GLU A 76 -10.715 2.943 5.870 1.00 0.53 C ATOM 1147 CG GLU A 76 -10.332 3.638 7.167 1.00 0.85 C ATOM 1148 CD GLU A 76 -10.731 5.102 7.192 1.00 0.97 C ATOM 1149 OE1 GLU A 76 -11.887 5.405 7.563 1.00 1.57 O ATOM 1150 OE2 GLU A 76 -9.890 5.960 6.853 1.00 1.25 O ATOM 0 H GLU A 76 -11.933 1.304 7.254 1.00 0.39 H new ATOM 0 HA GLU A 76 -12.750 3.624 5.919 1.00 0.44 H new ATOM 0 HB2 GLU A 76 -10.193 1.988 5.815 1.00 0.53 H new ATOM 0 HB3 GLU A 76 -10.367 3.546 5.031 1.00 0.53 H new ATOM 0 HG2 GLU A 76 -10.806 3.123 8.003 1.00 0.85 H new ATOM 0 HG3 GLU A 76 -9.255 3.558 7.312 1.00 0.85 H new ATOM 1157 N ILE A 77 -12.299 0.981 3.998 1.00 0.34 N ATOM 1158 CA ILE A 77 -12.620 0.415 2.689 1.00 0.34 C ATOM 1159 C ILE A 77 -14.112 0.568 2.362 1.00 0.34 C ATOM 1160 O ILE A 77 -14.471 1.003 1.268 1.00 0.37 O ATOM 1161 CB ILE A 77 -12.217 -1.077 2.611 1.00 0.34 C ATOM 1162 CG1 ILE A 77 -10.727 -1.249 2.945 1.00 0.37 C ATOM 1163 CG2 ILE A 77 -12.520 -1.640 1.229 1.00 0.39 C ATOM 1164 CD1 ILE A 77 -10.239 -2.684 2.855 1.00 0.40 C ATOM 0 H ILE A 77 -11.896 0.315 4.657 1.00 0.34 H new ATOM 0 HA ILE A 77 -12.045 0.973 1.950 1.00 0.34 H new ATOM 0 HB ILE A 77 -12.802 -1.631 3.345 1.00 0.34 H new ATOM 0 HG12 ILE A 77 -10.139 -0.632 2.266 1.00 0.37 H new ATOM 0 HG13 ILE A 77 -10.545 -0.876 3.953 1.00 0.37 H new ATOM 0 HG21 ILE A 77 -12.230 -2.690 1.192 1.00 0.39 H new ATOM 0 HG22 ILE A 77 -13.587 -1.551 1.026 1.00 0.39 H new ATOM 0 HG23 ILE A 77 -11.960 -1.083 0.478 1.00 0.39 H new ATOM 0 HD11 ILE A 77 -9.179 -2.724 3.105 1.00 0.40 H new ATOM 0 HD12 ILE A 77 -10.800 -3.304 3.554 1.00 0.40 H new ATOM 0 HD13 ILE A 77 -10.387 -3.056 1.841 1.00 0.40 H new ATOM 1176 N GLU A 78 -14.975 0.228 3.317 1.00 0.34 N ATOM 1177 CA GLU A 78 -16.422 0.378 3.140 1.00 0.37 C ATOM 1178 C GLU A 78 -16.783 1.860 3.009 1.00 0.38 C ATOM 1179 O GLU A 78 -17.704 2.235 2.284 1.00 0.40 O ATOM 1180 CB GLU A 78 -17.160 -0.251 4.329 1.00 0.43 C ATOM 1181 CG GLU A 78 -18.675 -0.310 4.176 1.00 0.64 C ATOM 1182 CD GLU A 78 -19.129 -1.243 3.068 1.00 1.33 C ATOM 1183 OE1 GLU A 78 -18.753 -2.435 3.094 1.00 1.65 O ATOM 1184 OE2 GLU A 78 -19.853 -0.789 2.158 1.00 2.15 O ATOM 0 H GLU A 78 -14.700 -0.153 4.222 1.00 0.34 H new ATOM 0 HA GLU A 78 -16.727 -0.135 2.228 1.00 0.37 H new ATOM 0 HB2 GLU A 78 -16.783 -1.263 4.479 1.00 0.43 H new ATOM 0 HB3 GLU A 78 -16.921 0.315 5.229 1.00 0.43 H new ATOM 0 HG2 GLU A 78 -19.116 -0.634 5.118 1.00 0.64 H new ATOM 0 HG3 GLU A 78 -19.053 0.693 3.975 1.00 0.64 H new ATOM 1191 N ARG A 79 -16.036 2.690 3.723 1.00 0.40 N ATOM 1192 CA ARG A 79 -16.172 4.143 3.670 1.00 0.45 C ATOM 1193 C ARG A 79 -15.966 4.674 2.250 1.00 0.42 C ATOM 1194 O ARG A 79 -16.544 5.692 1.870 1.00 0.45 O ATOM 1195 CB ARG A 79 -15.154 4.761 4.631 1.00 0.56 C ATOM 1196 CG ARG A 79 -15.153 6.276 4.702 1.00 1.06 C ATOM 1197 CD ARG A 79 -14.058 6.749 5.643 1.00 1.60 C ATOM 1198 NE ARG A 79 -13.999 8.202 5.766 1.00 2.14 N ATOM 1199 CZ ARG A 79 -13.060 8.841 6.462 1.00 3.09 C ATOM 1200 NH1 ARG A 79 -12.108 8.155 7.083 1.00 3.61 N ATOM 1201 NH2 ARG A 79 -13.077 10.167 6.541 1.00 3.96 N ATOM 0 H ARG A 79 -15.309 2.372 4.364 1.00 0.40 H new ATOM 0 HA ARG A 79 -17.183 4.419 3.969 1.00 0.45 H new ATOM 0 HB2 ARG A 79 -15.341 4.369 5.631 1.00 0.56 H new ATOM 0 HB3 ARG A 79 -14.158 4.429 4.339 1.00 0.56 H new ATOM 0 HG2 ARG A 79 -14.996 6.695 3.708 1.00 1.06 H new ATOM 0 HG3 ARG A 79 -16.122 6.633 5.049 1.00 1.06 H new ATOM 0 HD2 ARG A 79 -14.220 6.313 6.629 1.00 1.60 H new ATOM 0 HD3 ARG A 79 -13.096 6.381 5.286 1.00 1.60 H new ATOM 0 HE ARG A 79 -14.714 8.757 5.295 1.00 2.14 H new ATOM 0 HH11 ARG A 79 -12.095 7.137 7.028 1.00 3.61 H new ATOM 0 HH12 ARG A 79 -11.390 8.646 7.615 1.00 3.61 H new ATOM 0 HH21 ARG A 79 -13.810 10.697 6.068 1.00 3.96 H new ATOM 0 HH22 ARG A 79 -12.358 10.655 7.074 1.00 3.96 H new ATOM 1215 N LEU A 80 -15.157 3.971 1.464 1.00 0.40 N ATOM 1216 CA LEU A 80 -14.849 4.396 0.101 1.00 0.44 C ATOM 1217 C LEU A 80 -16.041 4.202 -0.834 1.00 0.47 C ATOM 1218 O LEU A 80 -16.018 4.652 -1.979 1.00 0.52 O ATOM 1219 CB LEU A 80 -13.634 3.640 -0.441 1.00 0.48 C ATOM 1220 CG LEU A 80 -12.332 3.856 0.339 1.00 0.49 C ATOM 1221 CD1 LEU A 80 -11.190 3.095 -0.312 1.00 0.55 C ATOM 1222 CD2 LEU A 80 -11.995 5.339 0.439 1.00 0.55 C ATOM 0 H LEU A 80 -14.702 3.103 1.747 1.00 0.40 H new ATOM 0 HA LEU A 80 -14.619 5.461 0.140 1.00 0.44 H new ATOM 0 HB2 LEU A 80 -13.862 2.574 -0.448 1.00 0.48 H new ATOM 0 HB3 LEU A 80 -13.472 3.938 -1.477 1.00 0.48 H new ATOM 0 HG LEU A 80 -12.475 3.472 1.349 1.00 0.49 H new ATOM 0 HD11 LEU A 80 -10.273 3.260 0.255 1.00 0.55 H new ATOM 0 HD12 LEU A 80 -11.423 2.030 -0.324 1.00 0.55 H new ATOM 0 HD13 LEU A 80 -11.053 3.448 -1.334 1.00 0.55 H new ATOM 0 HD21 LEU A 80 -11.067 5.464 0.997 1.00 0.55 H new ATOM 0 HD22 LEU A 80 -11.875 5.753 -0.562 1.00 0.55 H new ATOM 0 HD23 LEU A 80 -12.801 5.861 0.954 1.00 0.55 H new ATOM 1234 N MET A 81 -17.077 3.526 -0.350 1.00 0.49 N ATOM 1235 CA MET A 81 -18.301 3.362 -1.130 1.00 0.57 C ATOM 1236 C MET A 81 -19.104 4.655 -1.136 1.00 0.53 C ATOM 1237 O MET A 81 -19.967 4.865 -1.992 1.00 0.61 O ATOM 1238 CB MET A 81 -19.153 2.218 -0.578 1.00 0.67 C ATOM 1239 CG MET A 81 -18.613 0.839 -0.921 1.00 0.79 C ATOM 1240 SD MET A 81 -18.573 0.536 -2.701 1.00 1.85 S ATOM 1241 CE MET A 81 -20.315 0.681 -3.104 1.00 2.59 C ATOM 0 H MET A 81 -17.096 3.086 0.570 1.00 0.49 H new ATOM 0 HA MET A 81 -18.018 3.116 -2.153 1.00 0.57 H new ATOM 0 HB2 MET A 81 -19.218 2.315 0.506 1.00 0.67 H new ATOM 0 HB3 MET A 81 -20.167 2.310 -0.968 1.00 0.67 H new ATOM 0 HG2 MET A 81 -17.607 0.735 -0.515 1.00 0.79 H new ATOM 0 HG3 MET A 81 -19.231 0.080 -0.440 1.00 0.79 H new ATOM 0 HE1 MET A 81 -20.577 -0.060 -3.860 1.00 2.59 H new ATOM 0 HE2 MET A 81 -20.911 0.511 -2.208 1.00 2.59 H new ATOM 0 HE3 MET A 81 -20.517 1.680 -3.490 1.00 2.59 H new ATOM 1251 N GLU A 82 -18.799 5.527 -0.189 1.00 0.47 N ATOM 1252 CA GLU A 82 -19.411 6.840 -0.134 1.00 0.48 C ATOM 1253 C GLU A 82 -18.592 7.808 -0.979 1.00 0.43 C ATOM 1254 O GLU A 82 -17.381 7.636 -1.128 1.00 0.43 O ATOM 1255 CB GLU A 82 -19.480 7.334 1.319 1.00 0.56 C ATOM 1256 CG GLU A 82 -20.341 6.467 2.223 1.00 1.21 C ATOM 1257 CD GLU A 82 -21.792 6.426 1.793 1.00 1.59 C ATOM 1258 OE1 GLU A 82 -22.155 5.549 0.984 1.00 2.34 O ATOM 1259 OE2 GLU A 82 -22.583 7.264 2.274 1.00 1.61 O ATOM 0 H GLU A 82 -18.126 5.345 0.556 1.00 0.47 H new ATOM 0 HA GLU A 82 -20.426 6.783 -0.526 1.00 0.48 H new ATOM 0 HB2 GLU A 82 -18.470 7.376 1.727 1.00 0.56 H new ATOM 0 HB3 GLU A 82 -19.870 8.352 1.328 1.00 0.56 H new ATOM 0 HG2 GLU A 82 -19.942 5.453 2.233 1.00 1.21 H new ATOM 0 HG3 GLU A 82 -20.280 6.844 3.244 1.00 1.21 H new ATOM 1266 N ALA A 83 -19.253 8.815 -1.535 1.00 0.52 N ATOM 1267 CA ALA A 83 -18.577 9.815 -2.353 1.00 0.61 C ATOM 1268 C ALA A 83 -17.572 10.596 -1.519 1.00 0.55 C ATOM 1269 O ALA A 83 -16.518 10.999 -2.013 1.00 0.57 O ATOM 1270 CB ALA A 83 -19.587 10.754 -2.992 1.00 0.79 C ATOM 0 H ALA A 83 -20.257 8.961 -1.435 1.00 0.52 H new ATOM 0 HA ALA A 83 -18.037 9.301 -3.148 1.00 0.61 H new ATOM 0 HB1 ALA A 83 -19.064 11.493 -3.598 1.00 0.79 H new ATOM 0 HB2 ALA A 83 -20.267 10.182 -3.624 1.00 0.79 H new ATOM 0 HB3 ALA A 83 -20.156 11.261 -2.213 1.00 0.79 H new ATOM 1276 N ASP A 84 -17.898 10.792 -0.245 1.00 0.57 N ATOM 1277 CA ASP A 84 -16.986 11.449 0.690 1.00 0.61 C ATOM 1278 C ASP A 84 -15.735 10.609 0.873 1.00 0.49 C ATOM 1279 O ASP A 84 -14.657 11.127 1.169 1.00 0.51 O ATOM 1280 CB ASP A 84 -17.643 11.675 2.056 1.00 0.77 C ATOM 1281 CG ASP A 84 -18.832 12.608 1.997 1.00 1.17 C ATOM 1282 OD1 ASP A 84 -18.654 13.777 1.598 1.00 1.47 O ATOM 1283 OD2 ASP A 84 -19.949 12.179 2.344 1.00 1.76 O ATOM 0 H ASP A 84 -18.787 10.506 0.165 1.00 0.57 H new ATOM 0 HA ASP A 84 -16.727 12.420 0.267 1.00 0.61 H new ATOM 0 HB2 ASP A 84 -17.962 10.715 2.462 1.00 0.77 H new ATOM 0 HB3 ASP A 84 -16.903 12.082 2.745 1.00 0.77 H new ATOM 1288 N GLY A 85 -15.883 9.309 0.672 1.00 0.43 N ATOM 1289 CA GLY A 85 -14.772 8.402 0.819 1.00 0.41 C ATOM 1290 C GLY A 85 -13.840 8.480 -0.368 1.00 0.38 C ATOM 1291 O GLY A 85 -12.625 8.550 -0.203 1.00 0.39 O ATOM 0 H GLY A 85 -16.763 8.866 0.407 1.00 0.43 H new ATOM 0 HA2 GLY A 85 -14.224 8.639 1.731 1.00 0.41 H new ATOM 0 HA3 GLY A 85 -15.143 7.383 0.926 1.00 0.41 H new ATOM 1295 N ALA A 86 -14.403 8.458 -1.571 1.00 0.41 N ATOM 1296 CA ALA A 86 -13.622 8.664 -2.785 1.00 0.46 C ATOM 1297 C ALA A 86 -12.869 9.992 -2.744 1.00 0.45 C ATOM 1298 O ALA A 86 -11.719 10.077 -3.182 1.00 0.45 O ATOM 1299 CB ALA A 86 -14.525 8.605 -4.006 1.00 0.57 C ATOM 0 H ALA A 86 -15.398 8.300 -1.732 1.00 0.41 H new ATOM 0 HA ALA A 86 -12.884 7.865 -2.850 1.00 0.46 H new ATOM 0 HB1 ALA A 86 -13.930 8.760 -4.906 1.00 0.57 H new ATOM 0 HB2 ALA A 86 -15.008 7.629 -4.054 1.00 0.57 H new ATOM 0 HB3 ALA A 86 -15.285 9.383 -3.935 1.00 0.57 H new ATOM 1305 N ALA A 87 -13.517 11.022 -2.209 1.00 0.47 N ATOM 1306 CA ALA A 87 -12.884 12.327 -2.044 1.00 0.53 C ATOM 1307 C ALA A 87 -11.734 12.237 -1.046 1.00 0.48 C ATOM 1308 O ALA A 87 -10.717 12.920 -1.179 1.00 0.51 O ATOM 1309 CB ALA A 87 -13.904 13.356 -1.587 1.00 0.63 C ATOM 0 H ALA A 87 -14.482 10.978 -1.882 1.00 0.47 H new ATOM 0 HA ALA A 87 -12.482 12.642 -3.007 1.00 0.53 H new ATOM 0 HB1 ALA A 87 -13.417 14.324 -1.468 1.00 0.63 H new ATOM 0 HB2 ALA A 87 -14.697 13.438 -2.331 1.00 0.63 H new ATOM 0 HB3 ALA A 87 -14.332 13.046 -0.633 1.00 0.63 H new ATOM 1315 N ARG A 88 -11.901 11.365 -0.062 1.00 0.45 N ATOM 1316 CA ARG A 88 -10.880 11.130 0.947 1.00 0.48 C ATOM 1317 C ARG A 88 -9.666 10.469 0.303 1.00 0.40 C ATOM 1318 O ARG A 88 -8.522 10.766 0.645 1.00 0.42 O ATOM 1319 CB ARG A 88 -11.440 10.228 2.052 1.00 0.56 C ATOM 1320 CG ARG A 88 -10.517 10.059 3.246 1.00 0.96 C ATOM 1321 CD ARG A 88 -10.768 11.115 4.311 1.00 1.41 C ATOM 1322 NE ARG A 88 -10.620 12.481 3.809 1.00 1.91 N ATOM 1323 CZ ARG A 88 -9.848 13.399 4.388 1.00 2.82 C ATOM 1324 NH1 ARG A 88 -9.150 13.092 5.476 1.00 3.26 N ATOM 1325 NH2 ARG A 88 -9.777 14.625 3.883 1.00 3.71 N ATOM 0 H ARG A 88 -12.744 10.803 0.059 1.00 0.45 H new ATOM 0 HA ARG A 88 -10.580 12.082 1.384 1.00 0.48 H new ATOM 0 HB2 ARG A 88 -12.389 10.640 2.396 1.00 0.56 H new ATOM 0 HB3 ARG A 88 -11.653 9.246 1.630 1.00 0.56 H new ATOM 0 HG2 ARG A 88 -10.659 9.068 3.677 1.00 0.96 H new ATOM 0 HG3 ARG A 88 -9.480 10.117 2.914 1.00 0.96 H new ATOM 0 HD2 ARG A 88 -11.774 10.988 4.711 1.00 1.41 H new ATOM 0 HD3 ARG A 88 -10.075 10.961 5.138 1.00 1.41 H new ATOM 0 HE ARG A 88 -11.136 12.745 2.970 1.00 1.91 H new ATOM 0 HH11 ARG A 88 -9.205 12.152 5.869 1.00 3.26 H new ATOM 0 HH12 ARG A 88 -8.559 13.796 5.918 1.00 3.26 H new ATOM 0 HH21 ARG A 88 -10.314 14.865 3.050 1.00 3.71 H new ATOM 0 HH22 ARG A 88 -9.185 15.326 4.328 1.00 3.71 H new ATOM 1339 N PHE A 89 -9.939 9.585 -0.651 1.00 0.35 N ATOM 1340 CA PHE A 89 -8.895 8.861 -1.361 1.00 0.34 C ATOM 1341 C PHE A 89 -8.064 9.821 -2.206 1.00 0.33 C ATOM 1342 O PHE A 89 -6.846 9.680 -2.294 1.00 0.33 O ATOM 1343 CB PHE A 89 -9.515 7.766 -2.238 1.00 0.36 C ATOM 1344 CG PHE A 89 -8.518 6.813 -2.840 1.00 0.41 C ATOM 1345 CD1 PHE A 89 -7.888 5.857 -2.058 1.00 0.51 C ATOM 1346 CD2 PHE A 89 -8.199 6.883 -4.189 1.00 0.45 C ATOM 1347 CE1 PHE A 89 -6.963 4.992 -2.607 1.00 0.58 C ATOM 1348 CE2 PHE A 89 -7.273 6.021 -4.740 1.00 0.54 C ATOM 1349 CZ PHE A 89 -6.697 5.034 -3.955 1.00 0.58 C ATOM 0 H PHE A 89 -10.886 9.352 -0.951 1.00 0.35 H new ATOM 0 HA PHE A 89 -8.236 8.389 -0.632 1.00 0.34 H new ATOM 0 HB2 PHE A 89 -10.227 7.198 -1.639 1.00 0.36 H new ATOM 0 HB3 PHE A 89 -10.080 8.238 -3.042 1.00 0.36 H new ATOM 0 HD1 PHE A 89 -8.124 5.788 -1.006 1.00 0.51 H new ATOM 0 HD2 PHE A 89 -8.681 7.620 -4.814 1.00 0.45 H new ATOM 0 HE1 PHE A 89 -6.448 4.282 -1.977 1.00 0.58 H new ATOM 0 HE2 PHE A 89 -6.998 6.115 -5.780 1.00 0.54 H new ATOM 0 HZ PHE A 89 -6.042 4.301 -4.401 1.00 0.58 H new ATOM 1359 N GLU A 90 -8.722 10.811 -2.808 1.00 0.35 N ATOM 1360 CA GLU A 90 -8.024 11.825 -3.596 1.00 0.39 C ATOM 1361 C GLU A 90 -7.064 12.608 -2.705 1.00 0.38 C ATOM 1362 O GLU A 90 -5.917 12.871 -3.077 1.00 0.41 O ATOM 1363 CB GLU A 90 -9.022 12.791 -4.248 1.00 0.47 C ATOM 1364 CG GLU A 90 -9.898 12.165 -5.326 1.00 0.70 C ATOM 1365 CD GLU A 90 -9.099 11.659 -6.510 1.00 1.37 C ATOM 1366 OE1 GLU A 90 -8.335 12.454 -7.096 1.00 1.67 O ATOM 1367 OE2 GLU A 90 -9.241 10.470 -6.865 1.00 2.10 O ATOM 0 H GLU A 90 -9.734 10.932 -2.765 1.00 0.35 H new ATOM 0 HA GLU A 90 -7.462 11.320 -4.382 1.00 0.39 H new ATOM 0 HB2 GLU A 90 -9.665 13.207 -3.472 1.00 0.47 H new ATOM 0 HB3 GLU A 90 -8.470 13.623 -4.685 1.00 0.47 H new ATOM 0 HG2 GLU A 90 -10.463 11.339 -4.895 1.00 0.70 H new ATOM 0 HG3 GLU A 90 -10.624 12.901 -5.671 1.00 0.70 H new ATOM 1374 N ARG A 91 -7.546 12.964 -1.520 1.00 0.39 N ATOM 1375 CA ARG A 91 -6.746 13.689 -0.540 1.00 0.44 C ATOM 1376 C ARG A 91 -5.555 12.847 -0.086 1.00 0.37 C ATOM 1377 O ARG A 91 -4.484 13.372 0.220 1.00 0.38 O ATOM 1378 CB ARG A 91 -7.622 14.063 0.663 1.00 0.53 C ATOM 1379 CG ARG A 91 -6.886 14.807 1.766 1.00 0.73 C ATOM 1380 CD ARG A 91 -6.414 16.177 1.311 1.00 1.31 C ATOM 1381 NE ARG A 91 -5.664 16.869 2.358 1.00 2.11 N ATOM 1382 CZ ARG A 91 -5.221 18.120 2.251 1.00 3.10 C ATOM 1383 NH1 ARG A 91 -5.484 18.832 1.159 1.00 3.51 N ATOM 1384 NH2 ARG A 91 -4.528 18.666 3.240 1.00 4.06 N ATOM 0 H ARG A 91 -8.497 12.760 -1.213 1.00 0.39 H new ATOM 0 HA ARG A 91 -6.362 14.598 -1.002 1.00 0.44 H new ATOM 0 HB2 ARG A 91 -8.451 14.679 0.316 1.00 0.53 H new ATOM 0 HB3 ARG A 91 -8.054 13.153 1.080 1.00 0.53 H new ATOM 0 HG2 ARG A 91 -7.542 14.918 2.629 1.00 0.73 H new ATOM 0 HG3 ARG A 91 -6.029 14.218 2.091 1.00 0.73 H new ATOM 0 HD2 ARG A 91 -5.787 16.070 0.426 1.00 1.31 H new ATOM 0 HD3 ARG A 91 -7.275 16.780 1.021 1.00 1.31 H new ATOM 0 HE ARG A 91 -5.468 16.363 3.222 1.00 2.11 H new ATOM 0 HH11 ARG A 91 -6.027 18.420 0.400 1.00 3.51 H new ATOM 0 HH12 ARG A 91 -5.143 19.790 1.080 1.00 3.51 H new ATOM 0 HH21 ARG A 91 -4.333 18.128 4.084 1.00 4.06 H new ATOM 0 HH22 ARG A 91 -4.189 19.624 3.157 1.00 4.06 H new ATOM 1398 N TYR A 92 -5.749 11.535 -0.070 1.00 0.33 N ATOM 1399 CA TYR A 92 -4.722 10.608 0.379 1.00 0.32 C ATOM 1400 C TYR A 92 -3.644 10.454 -0.690 1.00 0.30 C ATOM 1401 O TYR A 92 -2.465 10.291 -0.379 1.00 0.32 O ATOM 1402 CB TYR A 92 -5.355 9.248 0.700 1.00 0.34 C ATOM 1403 CG TYR A 92 -4.440 8.284 1.425 1.00 0.38 C ATOM 1404 CD1 TYR A 92 -4.161 8.441 2.779 1.00 0.47 C ATOM 1405 CD2 TYR A 92 -3.842 7.227 0.751 1.00 0.41 C ATOM 1406 CE1 TYR A 92 -3.312 7.572 3.438 1.00 0.56 C ATOM 1407 CE2 TYR A 92 -2.994 6.352 1.404 1.00 0.48 C ATOM 1408 CZ TYR A 92 -2.786 6.497 2.771 1.00 0.55 C ATOM 1409 OH TYR A 92 -1.878 5.663 3.392 1.00 0.64 O ATOM 0 H TYR A 92 -6.616 11.087 -0.366 1.00 0.33 H new ATOM 0 HA TYR A 92 -4.257 11.003 1.282 1.00 0.32 H new ATOM 0 HB2 TYR A 92 -6.245 9.410 1.308 1.00 0.34 H new ATOM 0 HB3 TYR A 92 -5.684 8.786 -0.231 1.00 0.34 H new ATOM 0 HD1 TYR A 92 -4.615 9.255 3.324 1.00 0.47 H new ATOM 0 HD2 TYR A 92 -4.043 7.086 -0.301 1.00 0.41 H new ATOM 0 HE1 TYR A 92 -3.064 7.740 4.476 1.00 0.56 H new ATOM 0 HE2 TYR A 92 -2.498 5.563 0.858 1.00 0.48 H new ATOM 0 HH TYR A 92 -1.610 4.952 2.773 1.00 0.64 H new ATOM 1419 N LEU A 93 -4.060 10.522 -1.953 1.00 0.31 N ATOM 1420 CA LEU A 93 -3.134 10.406 -3.075 1.00 0.34 C ATOM 1421 C LEU A 93 -2.195 11.602 -3.120 1.00 0.35 C ATOM 1422 O LEU A 93 -1.007 11.468 -3.411 1.00 0.38 O ATOM 1423 CB LEU A 93 -3.897 10.294 -4.400 1.00 0.39 C ATOM 1424 CG LEU A 93 -4.805 9.070 -4.534 1.00 0.41 C ATOM 1425 CD1 LEU A 93 -5.546 9.107 -5.857 1.00 0.48 C ATOM 1426 CD2 LEU A 93 -4.003 7.780 -4.409 1.00 0.44 C ATOM 0 H LEU A 93 -5.034 10.657 -2.224 1.00 0.31 H new ATOM 0 HA LEU A 93 -2.545 9.500 -2.932 1.00 0.34 H new ATOM 0 HB2 LEU A 93 -4.504 11.191 -4.527 1.00 0.39 H new ATOM 0 HB3 LEU A 93 -3.174 10.280 -5.216 1.00 0.39 H new ATOM 0 HG LEU A 93 -5.533 9.095 -3.723 1.00 0.41 H new ATOM 0 HD11 LEU A 93 -6.188 8.230 -5.939 1.00 0.48 H new ATOM 0 HD12 LEU A 93 -6.155 10.009 -5.908 1.00 0.48 H new ATOM 0 HD13 LEU A 93 -4.827 9.108 -6.677 1.00 0.48 H new ATOM 0 HD21 LEU A 93 -4.672 6.925 -4.508 1.00 0.44 H new ATOM 0 HD22 LEU A 93 -3.248 7.743 -5.195 1.00 0.44 H new ATOM 0 HD23 LEU A 93 -3.515 7.748 -3.435 1.00 0.44 H new ATOM 1438 N ALA A 94 -2.733 12.775 -2.824 1.00 0.36 N ATOM 1439 CA ALA A 94 -1.932 13.989 -2.770 1.00 0.39 C ATOM 1440 C ALA A 94 -0.924 13.928 -1.626 1.00 0.37 C ATOM 1441 O ALA A 94 0.067 14.660 -1.613 1.00 0.44 O ATOM 1442 CB ALA A 94 -2.832 15.206 -2.625 1.00 0.43 C ATOM 0 H ALA A 94 -3.722 12.913 -2.617 1.00 0.36 H new ATOM 0 HA ALA A 94 -1.376 14.074 -3.703 1.00 0.39 H new ATOM 0 HB1 ALA A 94 -2.221 16.108 -2.586 1.00 0.43 H new ATOM 0 HB2 ALA A 94 -3.508 15.262 -3.478 1.00 0.43 H new ATOM 0 HB3 ALA A 94 -3.413 15.121 -1.707 1.00 0.43 H new ATOM 1448 N ALA A 95 -1.172 13.034 -0.677 1.00 0.33 N ATOM 1449 CA ALA A 95 -0.335 12.916 0.504 1.00 0.35 C ATOM 1450 C ALA A 95 0.646 11.756 0.390 1.00 0.33 C ATOM 1451 O ALA A 95 1.372 11.465 1.342 1.00 0.33 O ATOM 1452 CB ALA A 95 -1.201 12.739 1.736 1.00 0.40 C ATOM 0 H ALA A 95 -1.952 12.377 -0.706 1.00 0.33 H new ATOM 0 HA ALA A 95 0.245 13.835 0.591 1.00 0.35 H new ATOM 0 HB1 ALA A 95 -0.566 12.651 2.618 1.00 0.40 H new ATOM 0 HB2 ALA A 95 -1.858 13.602 1.846 1.00 0.40 H new ATOM 0 HB3 ALA A 95 -1.803 11.836 1.631 1.00 0.40 H new ATOM 1458 N LEU A 96 0.666 11.095 -0.766 1.00 0.35 N ATOM 1459 CA LEU A 96 1.554 9.947 -0.985 1.00 0.36 C ATOM 1460 C LEU A 96 3.012 10.251 -0.611 1.00 0.35 C ATOM 1461 O LEU A 96 3.603 9.505 0.164 1.00 0.34 O ATOM 1462 CB LEU A 96 1.481 9.443 -2.433 1.00 0.44 C ATOM 1463 CG LEU A 96 0.165 8.780 -2.837 1.00 0.49 C ATOM 1464 CD1 LEU A 96 0.183 8.424 -4.314 1.00 0.56 C ATOM 1465 CD2 LEU A 96 -0.101 7.538 -1.998 1.00 0.49 C ATOM 0 H LEU A 96 0.080 11.332 -1.566 1.00 0.35 H new ATOM 0 HA LEU A 96 1.196 9.161 -0.321 1.00 0.36 H new ATOM 0 HB2 LEU A 96 1.663 10.285 -3.101 1.00 0.44 H new ATOM 0 HB3 LEU A 96 2.290 8.730 -2.591 1.00 0.44 H new ATOM 0 HG LEU A 96 -0.641 9.491 -2.656 1.00 0.49 H new ATOM 0 HD11 LEU A 96 -0.761 7.953 -4.586 1.00 0.56 H new ATOM 0 HD12 LEU A 96 0.320 9.330 -4.905 1.00 0.56 H new ATOM 0 HD13 LEU A 96 1.003 7.734 -4.512 1.00 0.56 H new ATOM 0 HD21 LEU A 96 -1.044 7.086 -2.306 1.00 0.49 H new ATOM 0 HD22 LEU A 96 0.709 6.822 -2.141 1.00 0.49 H new ATOM 0 HD23 LEU A 96 -0.159 7.815 -0.945 1.00 0.49 H new ATOM 1477 N PRO A 97 3.621 11.340 -1.138 1.00 0.37 N ATOM 1478 CA PRO A 97 5.016 11.688 -0.822 1.00 0.39 C ATOM 1479 C PRO A 97 5.265 11.872 0.678 1.00 0.35 C ATOM 1480 O PRO A 97 6.336 11.528 1.182 1.00 0.36 O ATOM 1481 CB PRO A 97 5.246 13.011 -1.568 1.00 0.46 C ATOM 1482 CG PRO A 97 3.883 13.517 -1.907 1.00 0.46 C ATOM 1483 CD PRO A 97 3.031 12.298 -2.090 1.00 0.42 C ATOM 0 HA PRO A 97 5.696 10.890 -1.121 1.00 0.39 H new ATOM 0 HB2 PRO A 97 5.786 13.724 -0.946 1.00 0.46 H new ATOM 0 HB3 PRO A 97 5.843 12.857 -2.467 1.00 0.46 H new ATOM 0 HG2 PRO A 97 3.492 14.152 -1.112 1.00 0.46 H new ATOM 0 HG3 PRO A 97 3.904 14.120 -2.815 1.00 0.46 H new ATOM 0 HD2 PRO A 97 1.984 12.499 -1.864 1.00 0.42 H new ATOM 0 HD3 PRO A 97 3.071 11.927 -3.114 1.00 0.42 H new ATOM 1491 N ARG A 98 4.273 12.396 1.389 1.00 0.34 N ATOM 1492 CA ARG A 98 4.424 12.674 2.814 1.00 0.35 C ATOM 1493 C ARG A 98 4.243 11.408 3.644 1.00 0.31 C ATOM 1494 O ARG A 98 4.961 11.185 4.617 1.00 0.33 O ATOM 1495 CB ARG A 98 3.436 13.749 3.268 1.00 0.44 C ATOM 1496 CG ARG A 98 3.531 14.068 4.749 1.00 1.33 C ATOM 1497 CD ARG A 98 2.661 15.252 5.123 1.00 1.71 C ATOM 1498 NE ARG A 98 2.732 15.539 6.552 1.00 2.37 N ATOM 1499 CZ ARG A 98 2.617 16.753 7.080 1.00 3.24 C ATOM 1500 NH1 ARG A 98 2.420 17.809 6.298 1.00 3.56 N ATOM 1501 NH2 ARG A 98 2.705 16.910 8.395 1.00 4.22 N ATOM 0 H ARG A 98 3.359 12.636 1.005 1.00 0.34 H new ATOM 0 HA ARG A 98 5.437 13.045 2.971 1.00 0.35 H new ATOM 0 HB2 ARG A 98 3.613 14.660 2.696 1.00 0.44 H new ATOM 0 HB3 ARG A 98 2.422 13.420 3.039 1.00 0.44 H new ATOM 0 HG2 ARG A 98 3.229 13.196 5.329 1.00 1.33 H new ATOM 0 HG3 ARG A 98 4.568 14.281 5.010 1.00 1.33 H new ATOM 0 HD2 ARG A 98 2.977 16.129 4.559 1.00 1.71 H new ATOM 0 HD3 ARG A 98 1.628 15.048 4.843 1.00 1.71 H new ATOM 0 HE ARG A 98 2.880 14.755 7.188 1.00 2.37 H new ATOM 0 HH11 ARG A 98 2.356 17.690 5.287 1.00 3.56 H new ATOM 0 HH12 ARG A 98 2.332 18.739 6.709 1.00 3.56 H new ATOM 0 HH21 ARG A 98 2.860 16.101 8.996 1.00 4.22 H new ATOM 0 HH22 ARG A 98 2.617 17.840 8.805 1.00 4.22 H new ATOM 1515 N LYS A 99 3.302 10.571 3.237 1.00 0.31 N ATOM 1516 CA LYS A 99 3.036 9.327 3.942 1.00 0.36 C ATOM 1517 C LYS A 99 4.192 8.365 3.739 1.00 0.32 C ATOM 1518 O LYS A 99 4.641 7.704 4.673 1.00 0.32 O ATOM 1519 CB LYS A 99 1.737 8.696 3.438 1.00 0.47 C ATOM 1520 CG LYS A 99 0.474 9.345 3.986 1.00 0.86 C ATOM 1521 CD LYS A 99 0.304 9.063 5.471 1.00 1.14 C ATOM 1522 CE LYS A 99 -1.037 9.558 5.991 1.00 1.52 C ATOM 1523 NZ LYS A 99 -1.132 11.042 5.995 1.00 1.44 N ATOM 0 H LYS A 99 2.710 10.730 2.422 1.00 0.31 H new ATOM 0 HA LYS A 99 2.929 9.541 5.005 1.00 0.36 H new ATOM 0 HB2 LYS A 99 1.718 8.752 2.350 1.00 0.47 H new ATOM 0 HB3 LYS A 99 1.733 7.639 3.703 1.00 0.47 H new ATOM 0 HG2 LYS A 99 0.516 10.422 3.821 1.00 0.86 H new ATOM 0 HG3 LYS A 99 -0.394 8.972 3.442 1.00 0.86 H new ATOM 0 HD2 LYS A 99 0.390 7.991 5.649 1.00 1.14 H new ATOM 0 HD3 LYS A 99 1.109 9.544 6.027 1.00 1.14 H new ATOM 0 HE2 LYS A 99 -1.836 9.147 5.374 1.00 1.52 H new ATOM 0 HE3 LYS A 99 -1.191 9.184 7.003 1.00 1.52 H new ATOM 0 HZ1 LYS A 99 -2.109 11.327 6.210 1.00 1.44 H new ATOM 0 HZ2 LYS A 99 -0.491 11.429 6.717 1.00 1.44 H new ATOM 0 HZ3 LYS A 99 -0.862 11.410 5.060 1.00 1.44 H new ATOM 1537 N LEU A 100 4.678 8.322 2.509 1.00 0.33 N ATOM 1538 CA LEU A 100 5.789 7.466 2.139 1.00 0.35 C ATOM 1539 C LEU A 100 7.024 7.812 2.961 1.00 0.34 C ATOM 1540 O LEU A 100 7.667 6.934 3.533 1.00 0.35 O ATOM 1541 CB LEU A 100 6.083 7.634 0.646 1.00 0.42 C ATOM 1542 CG LEU A 100 7.088 6.652 0.047 1.00 0.82 C ATOM 1543 CD1 LEU A 100 6.503 5.249 -0.025 1.00 0.62 C ATOM 1544 CD2 LEU A 100 7.518 7.121 -1.331 1.00 1.58 C ATOM 0 H LEU A 100 4.311 8.881 1.739 1.00 0.33 H new ATOM 0 HA LEU A 100 5.524 6.428 2.341 1.00 0.35 H new ATOM 0 HB2 LEU A 100 5.145 7.542 0.099 1.00 0.42 H new ATOM 0 HB3 LEU A 100 6.451 8.646 0.480 1.00 0.42 H new ATOM 0 HG LEU A 100 7.963 6.617 0.696 1.00 0.82 H new ATOM 0 HD11 LEU A 100 7.239 4.570 -0.455 1.00 0.62 H new ATOM 0 HD12 LEU A 100 6.241 4.912 0.978 1.00 0.62 H new ATOM 0 HD13 LEU A 100 5.610 5.259 -0.649 1.00 0.62 H new ATOM 0 HD21 LEU A 100 8.234 6.414 -1.749 1.00 1.58 H new ATOM 0 HD22 LEU A 100 6.646 7.183 -1.983 1.00 1.58 H new ATOM 0 HD23 LEU A 100 7.982 8.104 -1.252 1.00 1.58 H new ATOM 1556 N ALA A 101 7.330 9.105 3.038 1.00 0.33 N ATOM 1557 CA ALA A 101 8.487 9.577 3.787 1.00 0.36 C ATOM 1558 C ALA A 101 8.333 9.287 5.276 1.00 0.33 C ATOM 1559 O ALA A 101 9.308 8.971 5.963 1.00 0.35 O ATOM 1560 CB ALA A 101 8.689 11.065 3.560 1.00 0.41 C ATOM 0 H ALA A 101 6.790 9.845 2.589 1.00 0.33 H new ATOM 0 HA ALA A 101 9.365 9.041 3.427 1.00 0.36 H new ATOM 0 HB1 ALA A 101 9.557 11.405 4.125 1.00 0.41 H new ATOM 0 HB2 ALA A 101 8.851 11.252 2.499 1.00 0.41 H new ATOM 0 HB3 ALA A 101 7.804 11.607 3.893 1.00 0.41 H new ATOM 1566 N ALA A 102 7.102 9.388 5.765 1.00 0.32 N ATOM 1567 CA ALA A 102 6.811 9.138 7.167 1.00 0.33 C ATOM 1568 C ALA A 102 7.085 7.683 7.526 1.00 0.32 C ATOM 1569 O ALA A 102 7.654 7.391 8.578 1.00 0.35 O ATOM 1570 CB ALA A 102 5.369 9.506 7.483 1.00 0.35 C ATOM 0 H ALA A 102 6.288 9.643 5.206 1.00 0.32 H new ATOM 0 HA ALA A 102 7.468 9.764 7.770 1.00 0.33 H new ATOM 0 HB1 ALA A 102 5.167 9.313 8.537 1.00 0.35 H new ATOM 0 HB2 ALA A 102 5.208 10.563 7.270 1.00 0.35 H new ATOM 0 HB3 ALA A 102 4.697 8.906 6.869 1.00 0.35 H new ATOM 1576 N TRP A 103 6.695 6.772 6.641 1.00 0.30 N ATOM 1577 CA TRP A 103 6.913 5.347 6.871 1.00 0.32 C ATOM 1578 C TRP A 103 8.400 5.019 6.852 1.00 0.32 C ATOM 1579 O TRP A 103 8.859 4.162 7.607 1.00 0.34 O ATOM 1580 CB TRP A 103 6.173 4.497 5.830 1.00 0.33 C ATOM 1581 CG TRP A 103 4.679 4.601 5.923 1.00 0.34 C ATOM 1582 CD1 TRP A 103 3.926 4.670 7.061 1.00 0.36 C ATOM 1583 CD2 TRP A 103 3.757 4.634 4.831 1.00 0.35 C ATOM 1584 NE1 TRP A 103 2.594 4.762 6.740 1.00 0.40 N ATOM 1585 CE2 TRP A 103 2.465 4.740 5.377 1.00 0.39 C ATOM 1586 CE3 TRP A 103 3.899 4.592 3.443 1.00 0.37 C ATOM 1587 CZ2 TRP A 103 1.324 4.804 4.584 1.00 0.43 C ATOM 1588 CZ3 TRP A 103 2.766 4.654 2.656 1.00 0.41 C ATOM 1589 CH2 TRP A 103 1.493 4.761 3.228 1.00 0.44 C ATOM 0 H TRP A 103 6.228 6.993 5.761 1.00 0.30 H new ATOM 0 HA TRP A 103 6.513 5.107 7.856 1.00 0.32 H new ATOM 0 HB2 TRP A 103 6.489 4.803 4.833 1.00 0.33 H new ATOM 0 HB3 TRP A 103 6.465 3.454 5.951 1.00 0.33 H new ATOM 0 HD1 TRP A 103 4.321 4.654 8.066 1.00 0.36 H new ATOM 0 HE1 TRP A 103 1.826 4.835 7.408 1.00 0.40 H new ATOM 0 HE3 TRP A 103 4.877 4.512 2.993 1.00 0.37 H new ATOM 0 HZ2 TRP A 103 0.341 4.885 5.023 1.00 0.43 H new ATOM 0 HZ3 TRP A 103 2.864 4.619 1.581 1.00 0.41 H new ATOM 0 HH2 TRP A 103 0.627 4.811 2.585 1.00 0.44 H new ATOM 1600 N GLU A 104 9.150 5.710 6.000 1.00 0.34 N ATOM 1601 CA GLU A 104 10.594 5.511 5.928 1.00 0.38 C ATOM 1602 C GLU A 104 11.238 5.790 7.279 1.00 0.39 C ATOM 1603 O GLU A 104 11.970 4.958 7.822 1.00 0.41 O ATOM 1604 CB GLU A 104 11.231 6.424 4.871 1.00 0.42 C ATOM 1605 CG GLU A 104 10.729 6.196 3.453 1.00 0.45 C ATOM 1606 CD GLU A 104 11.613 6.858 2.415 1.00 0.51 C ATOM 1607 OE1 GLU A 104 12.594 6.226 1.970 1.00 0.52 O ATOM 1608 OE2 GLU A 104 11.336 8.016 2.036 1.00 0.62 O ATOM 0 H GLU A 104 8.785 6.409 5.353 1.00 0.34 H new ATOM 0 HA GLU A 104 10.766 4.472 5.646 1.00 0.38 H new ATOM 0 HB2 GLU A 104 11.044 7.462 5.146 1.00 0.42 H new ATOM 0 HB3 GLU A 104 12.311 6.279 4.888 1.00 0.42 H new ATOM 0 HG2 GLU A 104 10.680 5.125 3.255 1.00 0.45 H new ATOM 0 HG3 GLU A 104 9.714 6.583 3.363 1.00 0.45 H new ATOM 1615 N ASN A 105 10.917 6.946 7.834 1.00 0.41 N ATOM 1616 CA ASN A 105 11.549 7.414 9.058 1.00 0.47 C ATOM 1617 C ASN A 105 11.038 6.672 10.287 1.00 0.46 C ATOM 1618 O ASN A 105 11.809 6.356 11.191 1.00 0.50 O ATOM 1619 CB ASN A 105 11.312 8.917 9.227 1.00 0.53 C ATOM 1620 CG ASN A 105 12.052 9.749 8.194 1.00 1.24 C ATOM 1621 OD1 ASN A 105 13.273 9.351 7.864 1.00 2.01 O flip ATOM 1622 ND2 ASN A 105 11.536 10.758 7.714 1.00 1.70 N flip ATOM 0 H ASN A 105 10.217 7.583 7.454 1.00 0.41 H new ATOM 0 HA ASN A 105 12.617 7.214 8.971 1.00 0.47 H new ATOM 0 HB2 ASN A 105 10.244 9.122 9.155 1.00 0.53 H new ATOM 0 HB3 ASN A 105 11.628 9.220 10.225 1.00 0.53 H new ATOM 0 HD21 ASN A 105 10.594 11.031 7.994 1.00 1.70 H new ATOM 0 HD22 ASN A 105 12.050 11.321 7.037 1.00 1.70 H new ATOM 1629 N ALA A 106 9.745 6.387 10.318 1.00 0.45 N ATOM 1630 CA ALA A 106 9.132 5.814 11.508 1.00 0.48 C ATOM 1631 C ALA A 106 9.270 4.295 11.573 1.00 0.50 C ATOM 1632 O ALA A 106 9.191 3.715 12.655 1.00 0.66 O ATOM 1633 CB ALA A 106 7.663 6.211 11.588 1.00 0.52 C ATOM 0 H ALA A 106 9.104 6.541 9.540 1.00 0.45 H new ATOM 0 HA ALA A 106 9.669 6.219 12.366 1.00 0.48 H new ATOM 0 HB1 ALA A 106 7.217 5.776 12.482 1.00 0.52 H new ATOM 0 HB2 ALA A 106 7.582 7.297 11.633 1.00 0.52 H new ATOM 0 HB3 ALA A 106 7.138 5.844 10.706 1.00 0.52 H new ATOM 1639 N ARG A 107 9.469 3.639 10.437 1.00 0.43 N ATOM 1640 CA ARG A 107 9.475 2.176 10.428 1.00 0.47 C ATOM 1641 C ARG A 107 10.834 1.590 10.046 1.00 0.48 C ATOM 1642 O ARG A 107 11.015 0.372 10.069 1.00 0.56 O ATOM 1643 CB ARG A 107 8.393 1.640 9.485 1.00 0.51 C ATOM 1644 CG ARG A 107 7.004 2.222 9.738 1.00 0.59 C ATOM 1645 CD ARG A 107 6.554 2.047 11.189 1.00 0.72 C ATOM 1646 NE ARG A 107 6.544 0.646 11.609 1.00 0.81 N ATOM 1647 CZ ARG A 107 5.730 0.156 12.543 1.00 1.10 C ATOM 1648 NH1 ARG A 107 4.858 0.949 13.151 1.00 1.35 N ATOM 1649 NH2 ARG A 107 5.796 -1.125 12.874 1.00 1.26 N ATOM 0 H ARG A 107 9.625 4.079 9.530 1.00 0.43 H new ATOM 0 HA ARG A 107 9.263 1.859 11.449 1.00 0.47 H new ATOM 0 HB2 ARG A 107 8.683 1.854 8.456 1.00 0.51 H new ATOM 0 HB3 ARG A 107 8.345 0.556 9.583 1.00 0.51 H new ATOM 0 HG2 ARG A 107 7.006 3.283 9.487 1.00 0.59 H new ATOM 0 HG3 ARG A 107 6.285 1.739 9.077 1.00 0.59 H new ATOM 0 HD2 ARG A 107 7.217 2.614 11.842 1.00 0.72 H new ATOM 0 HD3 ARG A 107 5.555 2.466 11.309 1.00 0.72 H new ATOM 0 HE ARG A 107 7.199 0.006 11.160 1.00 0.81 H new ATOM 0 HH11 ARG A 107 4.809 1.937 12.904 1.00 1.35 H new ATOM 0 HH12 ARG A 107 4.236 0.570 13.866 1.00 1.35 H new ATOM 0 HH21 ARG A 107 6.470 -1.737 12.414 1.00 1.26 H new ATOM 0 HH22 ARG A 107 5.173 -1.500 13.589 1.00 1.26 H new ATOM 1663 N GLY A 108 11.788 2.446 9.700 1.00 0.45 N ATOM 1664 CA GLY A 108 13.118 1.965 9.364 1.00 0.49 C ATOM 1665 C GLY A 108 13.192 1.404 7.960 1.00 0.46 C ATOM 1666 O GLY A 108 13.825 0.373 7.720 1.00 0.50 O ATOM 0 H GLY A 108 11.668 3.457 9.646 1.00 0.45 H new ATOM 0 HA2 GLY A 108 13.833 2.782 9.464 1.00 0.49 H new ATOM 0 HA3 GLY A 108 13.413 1.194 10.076 1.00 0.49 H new ATOM 1670 N VAL A 109 12.553 2.095 7.033 1.00 0.42 N ATOM 1671 CA VAL A 109 12.493 1.662 5.647 1.00 0.41 C ATOM 1672 C VAL A 109 13.120 2.732 4.759 1.00 0.43 C ATOM 1673 O VAL A 109 12.949 3.919 5.015 1.00 0.46 O ATOM 1674 CB VAL A 109 11.027 1.402 5.210 1.00 0.39 C ATOM 1675 CG1 VAL A 109 10.944 0.992 3.749 1.00 0.42 C ATOM 1676 CG2 VAL A 109 10.380 0.342 6.090 1.00 0.43 C ATOM 0 H VAL A 109 12.062 2.970 7.218 1.00 0.42 H new ATOM 0 HA VAL A 109 13.046 0.728 5.546 1.00 0.41 H new ATOM 0 HB VAL A 109 10.482 2.338 5.329 1.00 0.39 H new ATOM 0 HG11 VAL A 109 9.903 0.818 3.478 1.00 0.42 H new ATOM 0 HG12 VAL A 109 11.354 1.786 3.124 1.00 0.42 H new ATOM 0 HG13 VAL A 109 11.516 0.077 3.595 1.00 0.42 H new ATOM 0 HG21 VAL A 109 9.353 0.177 5.765 1.00 0.43 H new ATOM 0 HG22 VAL A 109 10.941 -0.589 6.010 1.00 0.43 H new ATOM 0 HG23 VAL A 109 10.383 0.679 7.127 1.00 0.43 H new ATOM 1686 N ASP A 110 13.880 2.329 3.750 1.00 0.44 N ATOM 1687 CA ASP A 110 14.481 3.297 2.842 1.00 0.49 C ATOM 1688 C ASP A 110 14.327 2.843 1.394 1.00 0.54 C ATOM 1689 O ASP A 110 15.001 1.911 0.941 1.00 0.57 O ATOM 1690 CB ASP A 110 15.957 3.510 3.175 1.00 0.53 C ATOM 1691 CG ASP A 110 16.554 4.668 2.403 1.00 0.62 C ATOM 1692 OD1 ASP A 110 16.873 4.494 1.213 1.00 0.79 O ATOM 1693 OD2 ASP A 110 16.714 5.760 2.986 1.00 0.84 O ATOM 0 H ASP A 110 14.093 1.354 3.541 1.00 0.44 H new ATOM 0 HA ASP A 110 13.959 4.246 2.967 1.00 0.49 H new ATOM 0 HB2 ASP A 110 16.064 3.694 4.244 1.00 0.53 H new ATOM 0 HB3 ASP A 110 16.514 2.600 2.951 1.00 0.53 H new ATOM 1698 N PHE A 111 13.445 3.514 0.669 1.00 0.60 N ATOM 1699 CA PHE A 111 13.112 3.119 -0.696 1.00 0.68 C ATOM 1700 C PHE A 111 14.207 3.507 -1.686 1.00 0.77 C ATOM 1701 O PHE A 111 14.306 2.927 -2.770 1.00 0.90 O ATOM 1702 CB PHE A 111 11.779 3.744 -1.113 1.00 0.73 C ATOM 1703 CG PHE A 111 10.604 3.234 -0.326 1.00 0.66 C ATOM 1704 CD1 PHE A 111 10.280 3.791 0.900 1.00 0.62 C ATOM 1705 CD2 PHE A 111 9.827 2.193 -0.809 1.00 0.72 C ATOM 1706 CE1 PHE A 111 9.205 3.323 1.629 1.00 0.61 C ATOM 1707 CE2 PHE A 111 8.752 1.721 -0.084 1.00 0.71 C ATOM 1708 CZ PHE A 111 8.439 2.286 1.136 1.00 0.62 C ATOM 0 H PHE A 111 12.944 4.338 1.002 1.00 0.60 H new ATOM 0 HA PHE A 111 13.025 2.033 -0.712 1.00 0.68 H new ATOM 0 HB2 PHE A 111 11.842 4.826 -0.996 1.00 0.73 H new ATOM 0 HB3 PHE A 111 11.610 3.547 -2.172 1.00 0.73 H new ATOM 0 HD1 PHE A 111 10.876 4.602 1.291 1.00 0.62 H new ATOM 0 HD2 PHE A 111 10.065 1.746 -1.763 1.00 0.72 H new ATOM 0 HE1 PHE A 111 8.964 3.767 2.583 1.00 0.61 H new ATOM 0 HE2 PHE A 111 8.155 0.909 -0.471 1.00 0.71 H new ATOM 0 HZ PHE A 111 7.597 1.918 1.703 1.00 0.62 H new ATOM 1718 N GLY A 112 15.034 4.476 -1.315 1.00 0.76 N ATOM 1719 CA GLY A 112 16.096 4.915 -2.198 1.00 0.84 C ATOM 1720 C GLY A 112 17.211 3.897 -2.284 1.00 0.79 C ATOM 1721 O GLY A 112 17.793 3.681 -3.349 1.00 0.89 O ATOM 0 H GLY A 112 14.988 4.964 -0.421 1.00 0.76 H new ATOM 0 HA2 GLY A 112 15.690 5.095 -3.194 1.00 0.84 H new ATOM 0 HA3 GLY A 112 16.497 5.864 -1.841 1.00 0.84 H new ATOM 1725 N SER A 113 17.500 3.261 -1.162 1.00 0.71 N ATOM 1726 CA SER A 113 18.534 2.246 -1.106 1.00 0.70 C ATOM 1727 C SER A 113 17.962 0.865 -1.404 1.00 0.68 C ATOM 1728 O SER A 113 18.711 -0.103 -1.559 1.00 0.72 O ATOM 1729 CB SER A 113 19.207 2.259 0.269 1.00 0.71 C ATOM 1730 OG SER A 113 18.242 2.185 1.304 1.00 1.38 O ATOM 0 H SER A 113 17.029 3.432 -0.273 1.00 0.71 H new ATOM 0 HA SER A 113 19.279 2.473 -1.869 1.00 0.70 H new ATOM 0 HB2 SER A 113 19.897 1.419 0.349 1.00 0.71 H new ATOM 0 HB3 SER A 113 19.797 3.168 0.381 1.00 0.71 H new ATOM 0 HG SER A 113 18.290 1.306 1.734 1.00 1.38 H new ATOM 1736 N ARG A 114 16.626 0.791 -1.485 1.00 0.68 N ATOM 1737 CA ARG A 114 15.923 -0.460 -1.777 1.00 0.75 C ATOM 1738 C ARG A 114 16.098 -1.451 -0.636 1.00 0.68 C ATOM 1739 O ARG A 114 16.049 -2.666 -0.837 1.00 0.72 O ATOM 1740 CB ARG A 114 16.433 -1.077 -3.084 1.00 0.91 C ATOM 1741 CG ARG A 114 16.065 -0.293 -4.332 1.00 1.10 C ATOM 1742 CD ARG A 114 16.918 -0.721 -5.518 1.00 1.31 C ATOM 1743 NE ARG A 114 16.956 -2.176 -5.675 1.00 1.48 N ATOM 1744 CZ ARG A 114 18.081 -2.893 -5.735 1.00 1.92 C ATOM 1745 NH1 ARG A 114 19.261 -2.290 -5.707 1.00 2.13 N ATOM 1746 NH2 ARG A 114 18.024 -4.214 -5.835 1.00 2.70 N ATOM 0 H ARG A 114 16.009 1.592 -1.351 1.00 0.68 H new ATOM 0 HA ARG A 114 14.863 -0.232 -1.887 1.00 0.75 H new ATOM 0 HB2 ARG A 114 17.518 -1.165 -3.031 1.00 0.91 H new ATOM 0 HB3 ARG A 114 16.035 -2.088 -3.174 1.00 0.91 H new ATOM 0 HG2 ARG A 114 15.011 -0.446 -4.564 1.00 1.10 H new ATOM 0 HG3 ARG A 114 16.200 0.773 -4.149 1.00 1.10 H new ATOM 0 HD2 ARG A 114 16.524 -0.269 -6.428 1.00 1.31 H new ATOM 0 HD3 ARG A 114 17.933 -0.345 -5.388 1.00 1.31 H new ATOM 0 HE ARG A 114 16.068 -2.673 -5.743 1.00 1.48 H new ATOM 0 HH11 ARG A 114 19.313 -1.274 -5.639 1.00 2.13 H new ATOM 0 HH12 ARG A 114 20.117 -2.842 -5.753 1.00 2.13 H new ATOM 0 HH21 ARG A 114 17.120 -4.685 -5.866 1.00 2.70 H new ATOM 0 HH22 ARG A 114 18.885 -4.760 -5.881 1.00 2.70 H new ATOM 1760 N THR A 115 16.292 -0.927 0.567 1.00 0.60 N ATOM 1761 CA THR A 115 16.583 -1.768 1.713 1.00 0.57 C ATOM 1762 C THR A 115 15.772 -1.343 2.930 1.00 0.52 C ATOM 1763 O THR A 115 15.137 -0.285 2.931 1.00 0.53 O ATOM 1764 CB THR A 115 18.084 -1.729 2.070 1.00 0.63 C ATOM 1765 OG1 THR A 115 18.491 -0.391 2.384 1.00 0.80 O ATOM 1766 CG2 THR A 115 18.937 -2.252 0.929 1.00 0.78 C ATOM 0 H THR A 115 16.253 0.072 0.771 1.00 0.60 H new ATOM 0 HA THR A 115 16.307 -2.786 1.436 1.00 0.57 H new ATOM 0 HB THR A 115 18.228 -2.370 2.940 1.00 0.63 H new ATOM 0 HG1 THR A 115 19.445 -0.384 2.610 1.00 0.80 H new ATOM 0 HG21 THR A 115 19.989 -2.211 1.213 1.00 0.78 H new ATOM 0 HG22 THR A 115 18.660 -3.283 0.711 1.00 0.78 H new ATOM 0 HG23 THR A 115 18.776 -1.638 0.043 1.00 0.78 H new ATOM 1774 N GLN A 116 15.796 -2.172 3.961 1.00 0.50 N ATOM 1775 CA GLN A 116 15.120 -1.861 5.206 1.00 0.51 C ATOM 1776 C GLN A 116 15.914 -2.425 6.376 1.00 0.54 C ATOM 1777 O GLN A 116 16.606 -3.437 6.238 1.00 0.55 O ATOM 1778 CB GLN A 116 13.690 -2.420 5.195 1.00 0.50 C ATOM 1779 CG GLN A 116 13.614 -3.935 5.077 1.00 0.45 C ATOM 1780 CD GLN A 116 12.187 -4.442 4.974 1.00 0.55 C ATOM 1781 OE1 GLN A 116 11.314 -3.765 4.435 1.00 1.21 O ATOM 1782 NE2 GLN A 116 11.936 -5.632 5.491 1.00 1.00 N ATOM 0 H GLN A 116 16.280 -3.070 3.958 1.00 0.50 H new ATOM 0 HA GLN A 116 15.056 -0.779 5.317 1.00 0.51 H new ATOM 0 HB2 GLN A 116 13.184 -2.112 6.110 1.00 0.50 H new ATOM 0 HB3 GLN A 116 13.144 -1.974 4.364 1.00 0.50 H new ATOM 0 HG2 GLN A 116 14.174 -4.256 4.198 1.00 0.45 H new ATOM 0 HG3 GLN A 116 14.095 -4.388 5.944 1.00 0.45 H new ATOM 0 HE21 GLN A 116 12.686 -6.166 5.931 1.00 1.00 H new ATOM 0 HE22 GLN A 116 10.992 -6.017 5.450 1.00 1.00 H new ATOM 1791 N ALA A 117 15.823 -1.763 7.521 1.00 0.62 N ATOM 1792 CA ALA A 117 16.566 -2.172 8.704 1.00 0.68 C ATOM 1793 C ALA A 117 15.767 -3.176 9.524 1.00 0.68 C ATOM 1794 O ALA A 117 16.117 -3.487 10.665 1.00 0.84 O ATOM 1795 CB ALA A 117 16.916 -0.958 9.547 1.00 0.83 C ATOM 0 H ALA A 117 15.240 -0.937 7.656 1.00 0.62 H new ATOM 0 HA ALA A 117 17.489 -2.655 8.382 1.00 0.68 H new ATOM 0 HB1 ALA A 117 17.472 -1.276 10.429 1.00 0.83 H new ATOM 0 HB2 ALA A 117 17.527 -0.272 8.961 1.00 0.83 H new ATOM 0 HB3 ALA A 117 16.001 -0.454 9.857 1.00 0.83 H new ATOM 1801 N ASP A 118 14.699 -3.679 8.931 1.00 0.69 N ATOM 1802 CA ASP A 118 13.820 -4.623 9.598 1.00 0.73 C ATOM 1803 C ASP A 118 13.712 -5.897 8.767 1.00 0.67 C ATOM 1804 O ASP A 118 14.009 -5.895 7.572 1.00 0.67 O ATOM 1805 CB ASP A 118 12.432 -4.002 9.787 1.00 0.81 C ATOM 1806 CG ASP A 118 11.626 -4.696 10.864 1.00 0.81 C ATOM 1807 OD1 ASP A 118 11.175 -5.837 10.632 1.00 1.07 O ATOM 1808 OD2 ASP A 118 11.437 -4.107 11.944 1.00 1.04 O ATOM 0 H ASP A 118 14.418 -3.446 7.979 1.00 0.69 H new ATOM 0 HA ASP A 118 14.233 -4.867 10.577 1.00 0.73 H new ATOM 0 HB2 ASP A 118 12.541 -2.948 10.042 1.00 0.81 H new ATOM 0 HB3 ASP A 118 11.887 -4.047 8.844 1.00 0.81 H new ATOM 1813 N ALA A 119 13.292 -6.979 9.403 1.00 0.72 N ATOM 1814 CA ALA A 119 13.156 -8.260 8.729 1.00 0.73 C ATOM 1815 C ALA A 119 11.824 -8.348 7.993 1.00 0.66 C ATOM 1816 O ALA A 119 11.686 -9.104 7.035 1.00 0.73 O ATOM 1817 CB ALA A 119 13.282 -9.398 9.730 1.00 0.91 C ATOM 0 H ALA A 119 13.038 -6.995 10.391 1.00 0.72 H new ATOM 0 HA ALA A 119 13.957 -8.346 7.995 1.00 0.73 H new ATOM 0 HB1 ALA A 119 13.178 -10.351 9.212 1.00 0.91 H new ATOM 0 HB2 ALA A 119 14.258 -9.352 10.213 1.00 0.91 H new ATOM 0 HB3 ALA A 119 12.500 -9.308 10.484 1.00 0.91 H new ATOM 1823 N LEU A 120 10.849 -7.565 8.445 1.00 0.69 N ATOM 1824 CA LEU A 120 9.519 -7.562 7.851 1.00 0.63 C ATOM 1825 C LEU A 120 8.700 -6.407 8.418 1.00 0.57 C ATOM 1826 O LEU A 120 8.540 -6.299 9.635 1.00 0.65 O ATOM 1827 CB LEU A 120 8.808 -8.892 8.127 1.00 0.73 C ATOM 1828 CG LEU A 120 7.461 -9.078 7.425 1.00 0.69 C ATOM 1829 CD1 LEU A 120 7.633 -9.082 5.915 1.00 0.89 C ATOM 1830 CD2 LEU A 120 6.794 -10.360 7.891 1.00 1.00 C ATOM 0 H LEU A 120 10.958 -6.920 9.227 1.00 0.69 H new ATOM 0 HA LEU A 120 9.617 -7.436 6.773 1.00 0.63 H new ATOM 0 HB2 LEU A 120 9.469 -9.706 7.828 1.00 0.73 H new ATOM 0 HB3 LEU A 120 8.653 -8.985 9.202 1.00 0.73 H new ATOM 0 HG LEU A 120 6.819 -8.238 7.689 1.00 0.69 H new ATOM 0 HD11 LEU A 120 6.662 -9.216 5.439 1.00 0.89 H new ATOM 0 HD12 LEU A 120 8.067 -8.134 5.596 1.00 0.89 H new ATOM 0 HD13 LEU A 120 8.294 -9.899 5.626 1.00 0.89 H new ATOM 0 HD21 LEU A 120 5.837 -10.478 7.383 1.00 1.00 H new ATOM 0 HD22 LEU A 120 7.436 -11.210 7.658 1.00 1.00 H new ATOM 0 HD23 LEU A 120 6.630 -10.314 8.968 1.00 1.00 H new ATOM 1842 N VAL A 121 8.162 -5.560 7.555 1.00 0.50 N ATOM 1843 CA VAL A 121 7.363 -4.436 8.018 1.00 0.47 C ATOM 1844 C VAL A 121 5.932 -4.514 7.479 1.00 0.39 C ATOM 1845 O VAL A 121 5.651 -4.183 6.325 1.00 0.33 O ATOM 1846 CB VAL A 121 8.033 -3.078 7.669 1.00 0.49 C ATOM 1847 CG1 VAL A 121 8.406 -2.996 6.196 1.00 0.45 C ATOM 1848 CG2 VAL A 121 7.140 -1.913 8.071 1.00 0.50 C ATOM 0 H VAL A 121 8.262 -5.627 6.542 1.00 0.50 H new ATOM 0 HA VAL A 121 7.307 -4.497 9.105 1.00 0.47 H new ATOM 0 HB VAL A 121 8.958 -3.013 8.242 1.00 0.49 H new ATOM 0 HG11 VAL A 121 8.872 -2.032 5.992 1.00 0.45 H new ATOM 0 HG12 VAL A 121 9.106 -3.796 5.953 1.00 0.45 H new ATOM 0 HG13 VAL A 121 7.508 -3.102 5.587 1.00 0.45 H new ATOM 0 HG21 VAL A 121 7.631 -0.974 7.817 1.00 0.50 H new ATOM 0 HG22 VAL A 121 6.191 -1.982 7.540 1.00 0.50 H new ATOM 0 HG23 VAL A 121 6.958 -1.948 9.145 1.00 0.50 H new ATOM 1858 N LEU A 122 5.039 -5.003 8.326 1.00 0.41 N ATOM 1859 CA LEU A 122 3.630 -5.122 7.980 1.00 0.39 C ATOM 1860 C LEU A 122 2.831 -4.041 8.694 1.00 0.42 C ATOM 1861 O LEU A 122 2.682 -4.072 9.916 1.00 0.73 O ATOM 1862 CB LEU A 122 3.099 -6.507 8.372 1.00 0.50 C ATOM 1863 CG LEU A 122 3.931 -7.701 7.887 1.00 0.51 C ATOM 1864 CD1 LEU A 122 3.290 -9.011 8.319 1.00 0.66 C ATOM 1865 CD2 LEU A 122 4.103 -7.672 6.377 1.00 0.46 C ATOM 0 H LEU A 122 5.268 -5.326 9.266 1.00 0.41 H new ATOM 0 HA LEU A 122 3.522 -4.998 6.903 1.00 0.39 H new ATOM 0 HB2 LEU A 122 3.029 -6.554 9.459 1.00 0.50 H new ATOM 0 HB3 LEU A 122 2.086 -6.611 7.982 1.00 0.50 H new ATOM 0 HG LEU A 122 4.918 -7.627 8.343 1.00 0.51 H new ATOM 0 HD11 LEU A 122 3.895 -9.846 7.965 1.00 0.66 H new ATOM 0 HD12 LEU A 122 3.227 -9.044 9.407 1.00 0.66 H new ATOM 0 HD13 LEU A 122 2.289 -9.083 7.895 1.00 0.66 H new ATOM 0 HD21 LEU A 122 4.697 -8.530 6.062 1.00 0.46 H new ATOM 0 HD22 LEU A 122 3.124 -7.712 5.899 1.00 0.46 H new ATOM 0 HD23 LEU A 122 4.611 -6.753 6.086 1.00 0.46 H new ATOM 1877 N LEU A 123 2.336 -3.075 7.939 1.00 0.24 N ATOM 1878 CA LEU A 123 1.606 -1.958 8.521 1.00 0.24 C ATOM 1879 C LEU A 123 0.100 -2.187 8.446 1.00 0.24 C ATOM 1880 O LEU A 123 -0.500 -2.132 7.369 1.00 0.25 O ATOM 1881 CB LEU A 123 1.969 -0.650 7.812 1.00 0.26 C ATOM 1882 CG LEU A 123 3.460 -0.308 7.779 1.00 0.29 C ATOM 1883 CD1 LEU A 123 3.678 1.033 7.097 1.00 0.35 C ATOM 1884 CD2 LEU A 123 4.045 -0.289 9.184 1.00 0.37 C ATOM 0 H LEU A 123 2.425 -3.040 6.924 1.00 0.24 H new ATOM 0 HA LEU A 123 1.892 -1.885 9.570 1.00 0.24 H new ATOM 0 HB2 LEU A 123 1.603 -0.700 6.786 1.00 0.26 H new ATOM 0 HB3 LEU A 123 1.438 0.167 8.301 1.00 0.26 H new ATOM 0 HG LEU A 123 3.974 -1.081 7.208 1.00 0.29 H new ATOM 0 HD11 LEU A 123 4.743 1.264 7.080 1.00 0.35 H new ATOM 0 HD12 LEU A 123 3.301 0.987 6.075 1.00 0.35 H new ATOM 0 HD13 LEU A 123 3.147 1.811 7.645 1.00 0.35 H new ATOM 0 HD21 LEU A 123 5.106 -0.043 9.133 1.00 0.37 H new ATOM 0 HD22 LEU A 123 3.528 0.460 9.783 1.00 0.37 H new ATOM 0 HD23 LEU A 123 3.921 -1.270 9.643 1.00 0.37 H new ATOM 1896 N GLY A 124 -0.498 -2.456 9.596 1.00 0.27 N ATOM 1897 CA GLY A 124 -1.933 -2.627 9.673 1.00 0.28 C ATOM 1898 C GLY A 124 -2.619 -1.424 10.279 1.00 0.30 C ATOM 1899 O GLY A 124 -1.961 -0.550 10.843 1.00 0.34 O ATOM 0 H GLY A 124 -0.009 -2.560 10.485 1.00 0.27 H new ATOM 0 HA2 GLY A 124 -2.330 -2.805 8.674 1.00 0.28 H new ATOM 0 HA3 GLY A 124 -2.161 -3.511 10.268 1.00 0.28 H new ATOM 1903 N GLY A 125 -3.939 -1.370 10.154 1.00 0.31 N ATOM 1904 CA GLY A 125 -4.706 -0.307 10.778 1.00 0.36 C ATOM 1905 C GLY A 125 -4.488 1.051 10.138 1.00 0.35 C ATOM 1906 O GLY A 125 -4.685 2.077 10.783 1.00 0.40 O ATOM 0 H GLY A 125 -4.495 -2.046 9.630 1.00 0.31 H new ATOM 0 HA2 GLY A 125 -5.766 -0.557 10.729 1.00 0.36 H new ATOM 0 HA3 GLY A 125 -4.441 -0.249 11.834 1.00 0.36 H new ATOM 1910 N LEU A 126 -4.068 1.068 8.879 1.00 0.31 N ATOM 1911 CA LEU A 126 -3.879 2.329 8.176 1.00 0.31 C ATOM 1912 C LEU A 126 -5.218 2.974 7.855 1.00 0.33 C ATOM 1913 O LEU A 126 -6.194 2.290 7.533 1.00 0.35 O ATOM 1914 CB LEU A 126 -3.067 2.147 6.889 1.00 0.31 C ATOM 1915 CG LEU A 126 -1.554 2.337 7.031 1.00 0.34 C ATOM 1916 CD1 LEU A 126 -0.966 1.323 7.996 1.00 0.38 C ATOM 1917 CD2 LEU A 126 -0.880 2.234 5.670 1.00 0.39 C ATOM 0 H LEU A 126 -3.854 0.235 8.331 1.00 0.31 H new ATOM 0 HA LEU A 126 -3.317 2.985 8.841 1.00 0.31 H new ATOM 0 HB2 LEU A 126 -3.255 1.146 6.500 1.00 0.31 H new ATOM 0 HB3 LEU A 126 -3.436 2.853 6.145 1.00 0.31 H new ATOM 0 HG LEU A 126 -1.371 3.332 7.437 1.00 0.34 H new ATOM 0 HD11 LEU A 126 0.109 1.480 8.078 1.00 0.38 H new ATOM 0 HD12 LEU A 126 -1.427 1.444 8.976 1.00 0.38 H new ATOM 0 HD13 LEU A 126 -1.158 0.316 7.627 1.00 0.38 H new ATOM 0 HD21 LEU A 126 0.195 2.371 5.785 1.00 0.39 H new ATOM 0 HD22 LEU A 126 -1.077 1.252 5.240 1.00 0.39 H new ATOM 0 HD23 LEU A 126 -1.275 3.005 5.009 1.00 0.39 H new ATOM 1929 N ASP A 127 -5.242 4.293 7.943 1.00 0.35 N ATOM 1930 CA ASP A 127 -6.445 5.071 7.695 1.00 0.41 C ATOM 1931 C ASP A 127 -6.144 6.126 6.644 1.00 0.39 C ATOM 1932 O ASP A 127 -4.977 6.368 6.316 1.00 0.45 O ATOM 1933 CB ASP A 127 -6.937 5.745 8.984 1.00 0.53 C ATOM 1934 CG ASP A 127 -7.345 4.753 10.054 1.00 0.82 C ATOM 1935 OD1 ASP A 127 -8.471 4.218 9.982 1.00 1.02 O ATOM 1936 OD2 ASP A 127 -6.540 4.514 10.983 1.00 1.11 O ATOM 0 H ASP A 127 -4.427 4.856 8.189 1.00 0.35 H new ATOM 0 HA ASP A 127 -7.231 4.404 7.340 1.00 0.41 H new ATOM 0 HB2 ASP A 127 -6.148 6.388 9.375 1.00 0.53 H new ATOM 0 HB3 ASP A 127 -7.786 6.388 8.750 1.00 0.53 H new ATOM 1941 N PHE A 128 -7.180 6.763 6.124 1.00 0.39 N ATOM 1942 CA PHE A 128 -7.010 7.744 5.062 1.00 0.42 C ATOM 1943 C PHE A 128 -7.019 9.170 5.614 1.00 0.49 C ATOM 1944 O PHE A 128 -7.693 10.055 5.084 1.00 0.61 O ATOM 1945 CB PHE A 128 -8.094 7.570 3.994 1.00 0.48 C ATOM 1946 CG PHE A 128 -8.006 6.252 3.267 1.00 0.45 C ATOM 1947 CD1 PHE A 128 -7.121 6.084 2.212 1.00 0.49 C ATOM 1948 CD2 PHE A 128 -8.797 5.179 3.646 1.00 0.55 C ATOM 1949 CE1 PHE A 128 -7.026 4.873 1.552 1.00 0.55 C ATOM 1950 CE2 PHE A 128 -8.709 3.967 2.988 1.00 0.61 C ATOM 1951 CZ PHE A 128 -7.821 3.813 1.940 1.00 0.58 C ATOM 0 H PHE A 128 -8.146 6.620 6.418 1.00 0.39 H new ATOM 0 HA PHE A 128 -6.037 7.574 4.601 1.00 0.42 H new ATOM 0 HB2 PHE A 128 -9.074 7.654 4.463 1.00 0.48 H new ATOM 0 HB3 PHE A 128 -8.016 8.382 3.271 1.00 0.48 H new ATOM 0 HD1 PHE A 128 -6.498 6.910 1.902 1.00 0.49 H new ATOM 0 HD2 PHE A 128 -9.491 5.291 4.466 1.00 0.55 H new ATOM 0 HE1 PHE A 128 -6.331 4.756 0.734 1.00 0.55 H new ATOM 0 HE2 PHE A 128 -9.334 3.140 3.292 1.00 0.61 H new ATOM 0 HZ PHE A 128 -7.749 2.866 1.426 1.00 0.58 H new ATOM 1961 N GLU A 129 -6.268 9.382 6.686 1.00 0.52 N ATOM 1962 CA GLU A 129 -6.095 10.714 7.247 1.00 0.63 C ATOM 1963 C GLU A 129 -4.987 11.453 6.510 1.00 0.64 C ATOM 1964 O GLU A 129 -3.880 10.932 6.352 1.00 0.80 O ATOM 1965 CB GLU A 129 -5.762 10.639 8.737 1.00 0.83 C ATOM 1966 CG GLU A 129 -6.855 10.008 9.577 1.00 1.58 C ATOM 1967 CD GLU A 129 -6.490 9.941 11.042 1.00 2.21 C ATOM 1968 OE1 GLU A 129 -5.880 8.936 11.461 1.00 3.00 O ATOM 1969 OE2 GLU A 129 -6.810 10.893 11.788 1.00 2.54 O ATOM 0 H GLU A 129 -5.768 8.646 7.185 1.00 0.52 H new ATOM 0 HA GLU A 129 -7.033 11.257 7.128 1.00 0.63 H new ATOM 0 HB2 GLU A 129 -4.842 10.068 8.866 1.00 0.83 H new ATOM 0 HB3 GLU A 129 -5.567 11.645 9.107 1.00 0.83 H new ATOM 0 HG2 GLU A 129 -7.775 10.581 9.461 1.00 1.58 H new ATOM 0 HG3 GLU A 129 -7.057 9.002 9.209 1.00 1.58 H new ATOM 1976 N ALA A 130 -5.286 12.659 6.059 1.00 0.73 N ATOM 1977 CA ALA A 130 -4.319 13.458 5.328 1.00 0.92 C ATOM 1978 C ALA A 130 -4.586 14.939 5.547 1.00 1.47 C ATOM 1979 O ALA A 130 -5.307 15.548 4.729 1.00 1.77 O ATOM 1980 CB ALA A 130 -4.361 13.110 3.848 1.00 0.97 C ATOM 1981 OXT ALA A 130 -4.096 15.483 6.561 1.00 2.26 O ATOM 0 H ALA A 130 -6.193 13.107 6.187 1.00 0.73 H new ATOM 0 HA ALA A 130 -3.320 13.234 5.702 1.00 0.92 H new ATOM 0 HB1 ALA A 130 -3.631 13.716 3.311 1.00 0.97 H new ATOM 0 HB2 ALA A 130 -4.124 12.054 3.716 1.00 0.97 H new ATOM 0 HB3 ALA A 130 -5.358 13.310 3.455 1.00 0.97 H new TER 1987 ALA A 130