USER MOD reduce.3.24.130724 H: found=0, std=0, add=810, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 821 hydrogens (12 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 32 CYS SG : rot -180:sc= -0.402 USER MOD Set 1.2: A 35 CYS SG : rot 180:sc= 0.315 USER MOD Set 2.1: A 21 LYS NZ :NH3+ 137:sc= -0.275 (180deg=-1.49!) USER MOD Set 2.2: A 51 ASN : amide:sc= -0.626 X(o=-0.9,f=-1.2) USER MOD Set 3.1: A 7 SER OG : rot 180:sc= 0.0355 USER MOD Set 3.2: A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 152:sc= -0.221 (180deg=-1.12) USER MOD Single : A 3 LYS NZ :NH3+ 137:sc= -0.288 (180deg=-1.43!) USER MOD Single : A 4 GLN :FLIP amide:sc= 0 F(o=-1.2!,f=0) USER MOD Single : A 8 LYS NZ :NH3+ 171:sc= 0.822 (180deg=0.476) USER MOD Single : A 12 GLN : amide:sc= -0.302 X(o=-0.3,f=-0.064) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ -155:sc= -0.111 (180deg=-0.753) USER MOD Single : A 37 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 HIS :FLIP no HD1:sc= -0.358 F(o=-0.97,f=-0.36) USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 46 SER OG : rot 115:sc= -0.896! USER MOD Single : A 48 LYS NZ :NH3+ 160:sc= -0.0794 (180deg=-0.539) USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot 180:sc= 0.0143 USER MOD Single : A 63 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 67 SER OG : rot -61:sc= 1.1 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 THR OG1 : rot 180:sc= 0.0372 USER MOD Single : A 76 THR OG1 : rot 87:sc= 0.0575! USER MOD Single : A 78 GLN :FLIP amide:sc= -1.2 F(o=-2.2!,f=-1.2) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 GLN :FLIP amide:sc= -8.05! C(o=-11!,f=-8.1!) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 93 ASN : amide:sc= -0.923 K(o=-0.92,f=-8.3!) USER MOD Single : A 94 LYS NZ :NH3+ -152:sc= -0.235 (180deg=-1.3!) USER MOD Single : A 96 LYS NZ :NH3+ 157:sc= -0.0653 (180deg=-0.784) USER MOD Single : A 100 THR OG1 : rot 56:sc= -0.378 USER MOD Single : A 102 ASN :FLIP amide:sc= -0.963 F(o=-2!,f=-0.96) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -8.229 -2.304 9.244 1.00 1.59 N ATOM 2 CA MET A 1 -6.988 -1.811 9.906 1.00 1.92 C ATOM 3 C MET A 1 -5.845 -1.782 8.886 1.00 1.39 C ATOM 4 O MET A 1 -6.062 -1.591 7.706 1.00 1.42 O ATOM 5 CB MET A 1 -6.622 -2.744 11.062 1.00 2.42 C ATOM 6 CG MET A 1 -6.352 -4.149 10.519 1.00 3.84 C ATOM 7 SD MET A 1 -6.290 -5.326 11.894 1.00 4.72 S ATOM 8 CE MET A 1 -8.038 -5.795 11.874 1.00 6.51 C ATOM 0 H1 MET A 1 -8.838 -2.768 9.949 1.00 1.59 H new ATOM 0 H2 MET A 1 -8.738 -1.502 8.820 1.00 1.59 H new ATOM 0 H3 MET A 1 -7.978 -2.987 8.501 1.00 1.59 H new ATOM 0 HA MET A 1 -7.154 -0.806 10.293 1.00 1.92 H new ATOM 0 HB2 MET A 1 -5.741 -2.368 11.582 1.00 2.42 H new ATOM 0 HB3 MET A 1 -7.433 -2.774 11.790 1.00 2.42 H new ATOM 0 HG2 MET A 1 -7.134 -4.435 9.816 1.00 3.84 H new ATOM 0 HG3 MET A 1 -5.410 -4.164 9.971 1.00 3.84 H new ATOM 0 HE1 MET A 1 -8.227 -6.528 12.658 1.00 6.51 H new ATOM 0 HE2 MET A 1 -8.654 -4.912 12.047 1.00 6.51 H new ATOM 0 HE3 MET A 1 -8.288 -6.227 10.905 1.00 6.51 H new ATOM 20 N VAL A 2 -4.626 -1.971 9.333 1.00 1.07 N ATOM 21 CA VAL A 2 -3.459 -1.959 8.395 1.00 0.62 C ATOM 22 C VAL A 2 -2.494 -3.086 8.776 1.00 0.76 C ATOM 23 O VAL A 2 -2.727 -3.819 9.717 1.00 1.34 O ATOM 24 CB VAL A 2 -2.745 -0.602 8.494 1.00 0.95 C ATOM 25 CG1 VAL A 2 -1.634 -0.501 7.431 1.00 1.09 C ATOM 26 CG2 VAL A 2 -3.770 0.515 8.274 1.00 0.86 C ATOM 0 H VAL A 2 -4.389 -2.134 10.312 1.00 1.07 H new ATOM 0 HA VAL A 2 -3.802 -2.111 7.372 1.00 0.62 H new ATOM 0 HB VAL A 2 -2.292 -0.505 9.480 1.00 0.95 H new ATOM 0 HG11 VAL A 2 -1.138 0.466 7.514 1.00 1.09 H new ATOM 0 HG12 VAL A 2 -0.906 -1.297 7.588 1.00 1.09 H new ATOM 0 HG13 VAL A 2 -2.071 -0.600 6.437 1.00 1.09 H new ATOM 0 HG21 VAL A 2 -3.274 1.483 8.342 1.00 0.86 H new ATOM 0 HG22 VAL A 2 -4.220 0.407 7.287 1.00 0.86 H new ATOM 0 HG23 VAL A 2 -4.547 0.451 9.036 1.00 0.86 H new ATOM 36 N LYS A 3 -1.414 -3.236 8.053 1.00 0.24 N ATOM 37 CA LYS A 3 -0.439 -4.321 8.374 1.00 0.35 C ATOM 38 C LYS A 3 0.969 -3.869 7.980 1.00 0.23 C ATOM 39 O LYS A 3 1.245 -3.596 6.828 1.00 0.16 O ATOM 40 CB LYS A 3 -0.807 -5.584 7.586 1.00 0.46 C ATOM 41 CG LYS A 3 0.023 -6.786 8.085 1.00 0.94 C ATOM 42 CD LYS A 3 -0.673 -7.460 9.286 1.00 2.48 C ATOM 43 CE LYS A 3 -1.707 -8.480 8.794 1.00 2.50 C ATOM 44 NZ LYS A 3 -1.032 -9.502 7.946 1.00 4.35 N ATOM 0 H LYS A 3 -1.165 -2.653 7.254 1.00 0.24 H new ATOM 0 HA LYS A 3 -0.469 -4.536 9.442 1.00 0.35 H new ATOM 0 HB2 LYS A 3 -1.870 -5.795 7.700 1.00 0.46 H new ATOM 0 HB3 LYS A 3 -0.626 -5.424 6.523 1.00 0.46 H new ATOM 0 HG2 LYS A 3 0.150 -7.508 7.278 1.00 0.94 H new ATOM 0 HG3 LYS A 3 1.020 -6.453 8.374 1.00 0.94 H new ATOM 0 HD2 LYS A 3 0.068 -7.956 9.914 1.00 2.48 H new ATOM 0 HD3 LYS A 3 -1.161 -6.706 9.903 1.00 2.48 H new ATOM 0 HE2 LYS A 3 -2.193 -8.960 9.644 1.00 2.50 H new ATOM 0 HE3 LYS A 3 -2.487 -7.976 8.223 1.00 2.50 H new ATOM 0 HZ1 LYS A 3 -1.390 -10.447 8.191 1.00 4.35 H new ATOM 0 HZ2 LYS A 3 -1.228 -9.306 6.944 1.00 4.35 H new ATOM 0 HZ3 LYS A 3 -0.006 -9.467 8.111 1.00 4.35 H new ATOM 58 N GLN A 4 1.861 -3.786 8.929 1.00 0.46 N ATOM 59 CA GLN A 4 3.252 -3.354 8.612 1.00 0.43 C ATOM 60 C GLN A 4 4.034 -4.538 8.042 1.00 0.35 C ATOM 61 O GLN A 4 4.125 -5.585 8.649 1.00 0.41 O ATOM 62 CB GLN A 4 3.935 -2.859 9.889 1.00 0.67 C ATOM 63 CG GLN A 4 5.308 -2.280 9.543 1.00 0.62 C ATOM 64 CD GLN A 4 6.000 -1.806 10.823 1.00 1.05 C ATOM 65 OE1 GLN A 4 5.309 -1.714 11.926 1.00 1.01 O flip ATOM 66 NE2 GLN A 4 7.180 -1.517 10.818 1.00 2.12 N flip ATOM 0 H GLN A 4 1.686 -3.999 9.911 1.00 0.46 H new ATOM 0 HA GLN A 4 3.225 -2.548 7.878 1.00 0.43 H new ATOM 0 HB2 GLN A 4 3.320 -2.100 10.372 1.00 0.67 H new ATOM 0 HB3 GLN A 4 4.043 -3.680 10.598 1.00 0.67 H new ATOM 0 HG2 GLN A 4 5.918 -3.034 9.045 1.00 0.62 H new ATOM 0 HG3 GLN A 4 5.199 -1.448 8.847 1.00 0.62 H new ATOM 0 HE21 GLN A 4 7.719 -1.589 9.955 1.00 2.12 H new ATOM 0 HE22 GLN A 4 7.632 -1.202 11.677 1.00 2.12 H new ATOM 75 N ILE A 5 4.597 -4.380 6.873 1.00 0.27 N ATOM 76 CA ILE A 5 5.375 -5.497 6.253 1.00 0.27 C ATOM 77 C ILE A 5 6.852 -5.361 6.627 1.00 0.32 C ATOM 78 O ILE A 5 7.491 -4.373 6.327 1.00 0.48 O ATOM 79 CB ILE A 5 5.230 -5.424 4.729 1.00 0.17 C ATOM 80 CG1 ILE A 5 3.743 -5.255 4.349 1.00 0.25 C ATOM 81 CG2 ILE A 5 5.815 -6.691 4.085 1.00 0.32 C ATOM 82 CD1 ILE A 5 2.862 -6.239 5.132 1.00 0.47 C ATOM 0 H ILE A 5 4.552 -3.525 6.319 1.00 0.27 H new ATOM 0 HA ILE A 5 4.996 -6.452 6.616 1.00 0.27 H new ATOM 0 HB ILE A 5 5.782 -4.561 4.356 1.00 0.17 H new ATOM 0 HG12 ILE A 5 3.425 -4.233 4.555 1.00 0.25 H new ATOM 0 HG13 ILE A 5 3.616 -5.419 3.279 1.00 0.25 H new ATOM 0 HG21 ILE A 5 5.708 -6.631 3.002 1.00 0.32 H new ATOM 0 HG22 ILE A 5 6.871 -6.775 4.341 1.00 0.32 H new ATOM 0 HG23 ILE A 5 5.281 -7.567 4.455 1.00 0.32 H new ATOM 0 HD11 ILE A 5 1.819 -6.100 4.847 1.00 0.47 H new ATOM 0 HD12 ILE A 5 3.167 -7.261 4.905 1.00 0.47 H new ATOM 0 HD13 ILE A 5 2.973 -6.056 6.201 1.00 0.47 H new ATOM 94 N GLU A 6 7.401 -6.353 7.277 1.00 0.35 N ATOM 95 CA GLU A 6 8.841 -6.293 7.670 1.00 0.40 C ATOM 96 C GLU A 6 9.692 -6.946 6.579 1.00 0.39 C ATOM 97 O GLU A 6 10.852 -6.629 6.410 1.00 1.00 O ATOM 98 CB GLU A 6 9.041 -7.048 8.986 1.00 0.84 C ATOM 99 CG GLU A 6 8.148 -6.435 10.066 1.00 0.52 C ATOM 100 CD GLU A 6 8.515 -7.026 11.428 1.00 0.76 C ATOM 101 OE1 GLU A 6 8.696 -8.229 11.501 1.00 1.91 O ATOM 102 OE2 GLU A 6 8.607 -6.263 12.377 1.00 0.96 O ATOM 0 H GLU A 6 6.913 -7.205 7.554 1.00 0.35 H new ATOM 0 HA GLU A 6 9.141 -5.253 7.796 1.00 0.40 H new ATOM 0 HB2 GLU A 6 8.798 -8.102 8.853 1.00 0.84 H new ATOM 0 HB3 GLU A 6 10.086 -6.998 9.291 1.00 0.84 H new ATOM 0 HG2 GLU A 6 8.271 -5.352 10.083 1.00 0.52 H new ATOM 0 HG3 GLU A 6 7.100 -6.634 9.842 1.00 0.52 H new ATOM 109 N SER A 7 9.122 -7.858 5.837 1.00 0.37 N ATOM 110 CA SER A 7 9.899 -8.531 4.758 1.00 0.24 C ATOM 111 C SER A 7 8.935 -9.136 3.735 1.00 0.24 C ATOM 112 O SER A 7 7.786 -8.753 3.646 1.00 0.23 O ATOM 113 CB SER A 7 10.754 -9.642 5.366 1.00 0.52 C ATOM 114 OG SER A 7 9.944 -10.790 5.588 1.00 0.97 O ATOM 0 H SER A 7 8.154 -8.165 5.932 1.00 0.37 H new ATOM 0 HA SER A 7 10.542 -7.802 4.265 1.00 0.24 H new ATOM 0 HB2 SER A 7 11.579 -9.889 4.698 1.00 0.52 H new ATOM 0 HB3 SER A 7 11.194 -9.306 6.305 1.00 0.52 H new ATOM 0 HG SER A 7 10.490 -11.505 5.976 1.00 0.97 H new ATOM 120 N LYS A 8 9.396 -10.079 2.960 1.00 0.27 N ATOM 121 CA LYS A 8 8.510 -10.711 1.940 1.00 0.27 C ATOM 122 C LYS A 8 7.668 -11.804 2.602 1.00 0.30 C ATOM 123 O LYS A 8 6.596 -12.142 2.142 1.00 0.29 O ATOM 124 CB LYS A 8 9.368 -11.330 0.834 1.00 0.29 C ATOM 125 CG LYS A 8 8.460 -11.893 -0.262 1.00 0.26 C ATOM 126 CD LYS A 8 9.316 -12.398 -1.424 1.00 1.32 C ATOM 127 CE LYS A 8 8.410 -12.978 -2.512 1.00 1.57 C ATOM 128 NZ LYS A 8 7.403 -11.957 -2.914 1.00 1.70 N ATOM 0 H LYS A 8 10.349 -10.440 2.989 1.00 0.27 H new ATOM 0 HA LYS A 8 7.852 -9.955 1.511 1.00 0.27 H new ATOM 0 HB2 LYS A 8 10.038 -10.579 0.416 1.00 0.29 H new ATOM 0 HB3 LYS A 8 9.994 -12.122 1.245 1.00 0.29 H new ATOM 0 HG2 LYS A 8 7.853 -12.706 0.136 1.00 0.26 H new ATOM 0 HG3 LYS A 8 7.772 -11.122 -0.611 1.00 0.26 H new ATOM 0 HD2 LYS A 8 9.914 -11.582 -1.831 1.00 1.32 H new ATOM 0 HD3 LYS A 8 10.013 -13.159 -1.072 1.00 1.32 H new ATOM 0 HE2 LYS A 8 9.005 -13.277 -3.375 1.00 1.57 H new ATOM 0 HE3 LYS A 8 7.909 -13.874 -2.144 1.00 1.57 H new ATOM 0 HZ1 LYS A 8 6.887 -12.290 -3.753 1.00 1.70 H new ATOM 0 HZ2 LYS A 8 6.733 -11.804 -2.134 1.00 1.70 H new ATOM 0 HZ3 LYS A 8 7.885 -11.063 -3.136 1.00 1.70 H new ATOM 142 N THR A 9 8.146 -12.359 3.682 1.00 0.35 N ATOM 143 CA THR A 9 7.376 -13.430 4.374 1.00 0.38 C ATOM 144 C THR A 9 6.013 -12.884 4.798 1.00 0.34 C ATOM 145 O THR A 9 4.987 -13.484 4.548 1.00 0.34 O ATOM 146 CB THR A 9 8.147 -13.896 5.612 1.00 0.45 C ATOM 147 OG1 THR A 9 9.452 -14.307 5.228 1.00 0.53 O ATOM 148 CG2 THR A 9 7.411 -15.069 6.263 1.00 0.71 C ATOM 0 H THR A 9 9.037 -12.117 4.115 1.00 0.35 H new ATOM 0 HA THR A 9 7.236 -14.272 3.696 1.00 0.38 H new ATOM 0 HB THR A 9 8.219 -13.075 6.326 1.00 0.45 H new ATOM 0 HG1 THR A 9 9.948 -14.604 6.020 1.00 0.53 H new ATOM 0 HG21 THR A 9 7.961 -15.400 7.144 1.00 0.71 H new ATOM 0 HG22 THR A 9 6.410 -14.752 6.557 1.00 0.71 H new ATOM 0 HG23 THR A 9 7.337 -15.892 5.552 1.00 0.71 H new ATOM 156 N ALA A 10 5.996 -11.748 5.435 1.00 0.33 N ATOM 157 CA ALA A 10 4.700 -11.159 5.874 1.00 0.31 C ATOM 158 C ALA A 10 3.902 -10.723 4.644 1.00 0.23 C ATOM 159 O ALA A 10 2.687 -10.764 4.633 1.00 0.17 O ATOM 160 CB ALA A 10 4.966 -9.947 6.768 1.00 0.32 C ATOM 0 H ALA A 10 6.824 -11.201 5.671 1.00 0.33 H new ATOM 0 HA ALA A 10 4.131 -11.902 6.434 1.00 0.31 H new ATOM 0 HB1 ALA A 10 4.017 -9.516 7.089 1.00 0.32 H new ATOM 0 HB2 ALA A 10 5.538 -10.258 7.642 1.00 0.32 H new ATOM 0 HB3 ALA A 10 5.533 -9.201 6.211 1.00 0.32 H new ATOM 166 N PHE A 11 4.575 -10.307 3.606 1.00 0.24 N ATOM 167 CA PHE A 11 3.856 -9.870 2.377 1.00 0.18 C ATOM 168 C PHE A 11 3.021 -11.033 1.838 1.00 0.12 C ATOM 169 O PHE A 11 1.843 -10.894 1.573 1.00 0.18 O ATOM 170 CB PHE A 11 4.871 -9.436 1.318 1.00 0.18 C ATOM 171 CG PHE A 11 4.145 -8.802 0.153 1.00 0.15 C ATOM 172 CD1 PHE A 11 3.526 -7.547 0.310 1.00 0.09 C ATOM 173 CD2 PHE A 11 4.084 -9.465 -1.090 1.00 0.21 C ATOM 174 CE1 PHE A 11 2.849 -6.953 -0.773 1.00 0.06 C ATOM 175 CE2 PHE A 11 3.407 -8.872 -2.173 1.00 0.20 C ATOM 176 CZ PHE A 11 2.790 -7.615 -2.015 1.00 0.12 C ATOM 0 H PHE A 11 5.592 -10.251 3.557 1.00 0.24 H new ATOM 0 HA PHE A 11 3.202 -9.031 2.616 1.00 0.18 H new ATOM 0 HB2 PHE A 11 5.580 -8.728 1.747 1.00 0.18 H new ATOM 0 HB3 PHE A 11 5.447 -10.296 0.977 1.00 0.18 H new ATOM 0 HD1 PHE A 11 3.570 -7.039 1.262 1.00 0.09 H new ATOM 0 HD2 PHE A 11 4.557 -10.428 -1.211 1.00 0.21 H new ATOM 0 HE1 PHE A 11 2.375 -5.990 -0.651 1.00 0.06 H new ATOM 0 HE2 PHE A 11 3.361 -9.381 -3.125 1.00 0.20 H new ATOM 0 HZ PHE A 11 2.272 -7.159 -2.846 1.00 0.12 H new ATOM 186 N GLN A 12 3.621 -12.181 1.674 1.00 0.09 N ATOM 187 CA GLN A 12 2.859 -13.350 1.154 1.00 0.16 C ATOM 188 C GLN A 12 1.765 -13.727 2.152 1.00 0.24 C ATOM 189 O GLN A 12 0.620 -13.918 1.793 1.00 0.54 O ATOM 190 CB GLN A 12 3.809 -14.536 0.966 1.00 0.23 C ATOM 191 CG GLN A 12 4.890 -14.169 -0.053 1.00 1.70 C ATOM 192 CD GLN A 12 5.803 -15.374 -0.283 1.00 1.76 C ATOM 193 OE1 GLN A 12 6.141 -15.690 -1.406 1.00 2.88 O ATOM 194 NE2 GLN A 12 6.221 -16.066 0.742 1.00 0.88 N ATOM 0 H GLN A 12 4.605 -12.359 1.878 1.00 0.09 H new ATOM 0 HA GLN A 12 2.406 -13.093 0.197 1.00 0.16 H new ATOM 0 HB2 GLN A 12 4.268 -14.802 1.918 1.00 0.23 H new ATOM 0 HB3 GLN A 12 3.254 -15.409 0.624 1.00 0.23 H new ATOM 0 HG2 GLN A 12 4.430 -13.863 -0.993 1.00 1.70 H new ATOM 0 HG3 GLN A 12 5.473 -13.321 0.308 1.00 1.70 H new ATOM 0 HE21 GLN A 12 5.938 -15.802 1.686 1.00 0.88 H new ATOM 0 HE22 GLN A 12 6.831 -16.871 0.599 1.00 0.88 H new ATOM 203 N GLU A 13 2.108 -13.834 3.405 1.00 0.26 N ATOM 204 CA GLU A 13 1.090 -14.196 4.430 1.00 0.28 C ATOM 205 C GLU A 13 -0.016 -13.140 4.443 1.00 0.10 C ATOM 206 O GLU A 13 -1.157 -13.428 4.748 1.00 0.11 O ATOM 207 CB GLU A 13 1.752 -14.260 5.807 1.00 0.41 C ATOM 208 CG GLU A 13 2.799 -15.376 5.820 1.00 0.37 C ATOM 209 CD GLU A 13 2.101 -16.732 5.704 1.00 0.78 C ATOM 210 OE1 GLU A 13 1.661 -17.240 6.722 1.00 1.89 O ATOM 211 OE2 GLU A 13 2.020 -17.242 4.598 1.00 0.79 O ATOM 0 H GLU A 13 3.051 -13.686 3.764 1.00 0.26 H new ATOM 0 HA GLU A 13 0.661 -15.169 4.189 1.00 0.28 H new ATOM 0 HB2 GLU A 13 2.221 -13.304 6.041 1.00 0.41 H new ATOM 0 HB3 GLU A 13 1.001 -14.443 6.575 1.00 0.41 H new ATOM 0 HG2 GLU A 13 3.498 -15.243 4.994 1.00 0.37 H new ATOM 0 HG3 GLU A 13 3.381 -15.332 6.740 1.00 0.37 H new ATOM 218 N ALA A 14 0.308 -11.921 4.111 1.00 0.17 N ATOM 219 CA ALA A 14 -0.729 -10.852 4.102 1.00 0.17 C ATOM 220 C ALA A 14 -1.728 -11.134 2.979 1.00 0.22 C ATOM 221 O ALA A 14 -2.926 -11.112 3.179 1.00 0.38 O ATOM 222 CB ALA A 14 -0.066 -9.494 3.867 1.00 0.29 C ATOM 0 H ALA A 14 1.246 -11.619 3.846 1.00 0.17 H new ATOM 0 HA ALA A 14 -1.247 -10.837 5.061 1.00 0.17 H new ATOM 0 HB1 ALA A 14 -0.827 -8.714 3.861 1.00 0.29 H new ATOM 0 HB2 ALA A 14 0.650 -9.296 4.664 1.00 0.29 H new ATOM 0 HB3 ALA A 14 0.452 -9.503 2.908 1.00 0.29 H new ATOM 228 N LEU A 15 -1.244 -11.409 1.799 1.00 0.14 N ATOM 229 CA LEU A 15 -2.166 -11.703 0.667 1.00 0.26 C ATOM 230 C LEU A 15 -2.917 -12.999 0.968 1.00 0.36 C ATOM 231 O LEU A 15 -4.004 -13.227 0.477 1.00 0.49 O ATOM 232 CB LEU A 15 -1.355 -11.871 -0.624 1.00 0.23 C ATOM 233 CG LEU A 15 -0.784 -10.514 -1.078 1.00 0.19 C ATOM 234 CD1 LEU A 15 0.403 -10.746 -2.018 1.00 0.13 C ATOM 235 CD2 LEU A 15 -1.854 -9.707 -1.830 1.00 0.27 C ATOM 0 H LEU A 15 -0.251 -11.443 1.570 1.00 0.14 H new ATOM 0 HA LEU A 15 -2.874 -10.883 0.543 1.00 0.26 H new ATOM 0 HB2 LEU A 15 -0.542 -12.579 -0.461 1.00 0.23 H new ATOM 0 HB3 LEU A 15 -1.988 -12.287 -1.408 1.00 0.23 H new ATOM 0 HG LEU A 15 -0.465 -9.960 -0.195 1.00 0.19 H new ATOM 0 HD11 LEU A 15 0.806 -9.785 -2.339 1.00 0.13 H new ATOM 0 HD12 LEU A 15 1.177 -11.308 -1.495 1.00 0.13 H new ATOM 0 HD13 LEU A 15 0.072 -11.310 -2.890 1.00 0.13 H new ATOM 0 HD21 LEU A 15 -1.435 -8.751 -2.144 1.00 0.27 H new ATOM 0 HD22 LEU A 15 -2.181 -10.265 -2.707 1.00 0.27 H new ATOM 0 HD23 LEU A 15 -2.706 -9.531 -1.173 1.00 0.27 H new ATOM 247 N ASP A 16 -2.345 -13.848 1.776 1.00 0.33 N ATOM 248 CA ASP A 16 -3.023 -15.130 2.115 1.00 0.46 C ATOM 249 C ASP A 16 -4.223 -14.844 3.017 1.00 0.44 C ATOM 250 O ASP A 16 -5.312 -15.339 2.796 1.00 0.43 O ATOM 251 CB ASP A 16 -2.043 -16.050 2.846 1.00 0.50 C ATOM 252 CG ASP A 16 -2.651 -17.447 2.975 1.00 0.83 C ATOM 253 OD1 ASP A 16 -3.503 -17.623 3.830 1.00 0.45 O ATOM 254 OD2 ASP A 16 -2.257 -18.316 2.216 1.00 2.28 O ATOM 0 H ASP A 16 -1.436 -13.709 2.217 1.00 0.33 H new ATOM 0 HA ASP A 16 -3.361 -15.616 1.200 1.00 0.46 H new ATOM 0 HB2 ASP A 16 -1.101 -16.101 2.301 1.00 0.50 H new ATOM 0 HB3 ASP A 16 -1.818 -15.647 3.834 1.00 0.50 H new ATOM 259 N ALA A 17 -4.032 -14.049 4.031 1.00 0.46 N ATOM 260 CA ALA A 17 -5.159 -13.727 4.951 1.00 0.46 C ATOM 261 C ALA A 17 -6.151 -12.802 4.242 1.00 0.43 C ATOM 262 O ALA A 17 -7.299 -12.698 4.624 1.00 0.41 O ATOM 263 CB ALA A 17 -4.614 -13.030 6.199 1.00 0.56 C ATOM 0 H ALA A 17 -3.143 -13.607 4.264 1.00 0.46 H new ATOM 0 HA ALA A 17 -5.666 -14.648 5.240 1.00 0.46 H new ATOM 0 HB1 ALA A 17 -5.438 -12.794 6.873 1.00 0.56 H new ATOM 0 HB2 ALA A 17 -3.909 -13.689 6.705 1.00 0.56 H new ATOM 0 HB3 ALA A 17 -4.107 -12.110 5.910 1.00 0.56 H new ATOM 269 N ALA A 18 -5.717 -12.130 3.212 1.00 0.47 N ATOM 270 CA ALA A 18 -6.636 -11.213 2.481 1.00 0.45 C ATOM 271 C ALA A 18 -7.750 -12.027 1.822 1.00 0.39 C ATOM 272 O ALA A 18 -8.876 -11.583 1.713 1.00 0.34 O ATOM 273 CB ALA A 18 -5.853 -10.455 1.407 1.00 0.54 C ATOM 0 H ALA A 18 -4.766 -12.176 2.845 1.00 0.47 H new ATOM 0 HA ALA A 18 -7.072 -10.501 3.182 1.00 0.45 H new ATOM 0 HB1 ALA A 18 -6.525 -9.784 0.872 1.00 0.54 H new ATOM 0 HB2 ALA A 18 -5.059 -9.874 1.877 1.00 0.54 H new ATOM 0 HB3 ALA A 18 -5.416 -11.166 0.706 1.00 0.54 H new ATOM 279 N GLY A 19 -7.447 -13.220 1.382 1.00 0.44 N ATOM 280 CA GLY A 19 -8.490 -14.065 0.732 1.00 0.46 C ATOM 281 C GLY A 19 -8.607 -13.693 -0.747 1.00 0.46 C ATOM 282 O GLY A 19 -7.781 -14.064 -1.558 1.00 0.46 O ATOM 0 H GLY A 19 -6.522 -13.645 1.445 1.00 0.44 H new ATOM 0 HA2 GLY A 19 -8.232 -15.119 0.832 1.00 0.46 H new ATOM 0 HA3 GLY A 19 -9.449 -13.923 1.230 1.00 0.46 H new ATOM 286 N ASP A 20 -9.630 -12.959 -1.108 1.00 0.47 N ATOM 287 CA ASP A 20 -9.809 -12.557 -2.538 1.00 0.48 C ATOM 288 C ASP A 20 -10.327 -11.121 -2.599 1.00 0.45 C ATOM 289 O ASP A 20 -10.685 -10.623 -3.648 1.00 0.44 O ATOM 290 CB ASP A 20 -10.820 -13.492 -3.205 1.00 0.55 C ATOM 291 CG ASP A 20 -10.345 -14.940 -3.068 1.00 1.25 C ATOM 292 OD1 ASP A 20 -10.443 -15.473 -1.976 1.00 1.86 O ATOM 293 OD2 ASP A 20 -9.892 -15.491 -4.059 1.00 2.47 O ATOM 0 H ASP A 20 -10.352 -12.620 -0.472 1.00 0.47 H new ATOM 0 HA ASP A 20 -8.854 -12.622 -3.059 1.00 0.48 H new ATOM 0 HB2 ASP A 20 -11.800 -13.374 -2.743 1.00 0.55 H new ATOM 0 HB3 ASP A 20 -10.931 -13.233 -4.258 1.00 0.55 H new ATOM 298 N LYS A 21 -10.374 -10.450 -1.481 1.00 0.45 N ATOM 299 CA LYS A 21 -10.871 -9.048 -1.474 1.00 0.44 C ATOM 300 C LYS A 21 -9.795 -8.121 -2.046 1.00 0.37 C ATOM 301 O LYS A 21 -8.682 -8.534 -2.308 1.00 0.38 O ATOM 302 CB LYS A 21 -11.197 -8.629 -0.038 1.00 0.50 C ATOM 303 CG LYS A 21 -12.143 -9.658 0.594 1.00 0.63 C ATOM 304 CD LYS A 21 -12.371 -9.325 2.079 1.00 0.89 C ATOM 305 CE LYS A 21 -13.443 -8.238 2.221 1.00 0.99 C ATOM 306 NZ LYS A 21 -14.703 -8.689 1.563 1.00 1.80 N ATOM 0 H LYS A 21 -10.089 -10.814 -0.572 1.00 0.45 H new ATOM 0 HA LYS A 21 -11.771 -8.979 -2.085 1.00 0.44 H new ATOM 0 HB2 LYS A 21 -10.280 -8.555 0.547 1.00 0.50 H new ATOM 0 HB3 LYS A 21 -11.660 -7.642 -0.032 1.00 0.50 H new ATOM 0 HG2 LYS A 21 -13.095 -9.662 0.064 1.00 0.63 H new ATOM 0 HG3 LYS A 21 -11.721 -10.658 0.498 1.00 0.63 H new ATOM 0 HD2 LYS A 21 -12.679 -10.222 2.617 1.00 0.89 H new ATOM 0 HD3 LYS A 21 -11.438 -8.987 2.530 1.00 0.89 H new ATOM 0 HE2 LYS A 21 -13.626 -8.029 3.275 1.00 0.99 H new ATOM 0 HE3 LYS A 21 -13.096 -7.310 1.767 1.00 0.99 H new ATOM 0 HZ1 LYS A 21 -15.515 -8.452 2.168 1.00 1.80 H new ATOM 0 HZ2 LYS A 21 -14.805 -8.212 0.644 1.00 1.80 H new ATOM 0 HZ3 LYS A 21 -14.669 -9.718 1.417 1.00 1.80 H new ATOM 320 N LEU A 22 -10.117 -6.872 -2.243 1.00 0.34 N ATOM 321 CA LEU A 22 -9.115 -5.918 -2.800 1.00 0.37 C ATOM 322 C LEU A 22 -7.956 -5.774 -1.801 1.00 0.29 C ATOM 323 O LEU A 22 -8.114 -6.003 -0.617 1.00 0.38 O ATOM 324 CB LEU A 22 -9.803 -4.551 -3.038 1.00 0.40 C ATOM 325 CG LEU A 22 -9.443 -3.988 -4.423 1.00 1.14 C ATOM 326 CD1 LEU A 22 -10.186 -2.666 -4.637 1.00 1.89 C ATOM 327 CD2 LEU A 22 -7.928 -3.745 -4.513 1.00 1.23 C ATOM 0 H LEU A 22 -11.033 -6.470 -2.042 1.00 0.34 H new ATOM 0 HA LEU A 22 -8.721 -6.285 -3.748 1.00 0.37 H new ATOM 0 HB2 LEU A 22 -10.884 -4.665 -2.957 1.00 0.40 H new ATOM 0 HB3 LEU A 22 -9.498 -3.846 -2.264 1.00 0.40 H new ATOM 0 HG LEU A 22 -9.734 -4.704 -5.191 1.00 1.14 H new ATOM 0 HD11 LEU A 22 -9.935 -2.262 -5.618 1.00 1.89 H new ATOM 0 HD12 LEU A 22 -11.261 -2.839 -4.581 1.00 1.89 H new ATOM 0 HD13 LEU A 22 -9.892 -1.954 -3.865 1.00 1.89 H new ATOM 0 HD21 LEU A 22 -7.681 -3.346 -5.497 1.00 1.23 H new ATOM 0 HD22 LEU A 22 -7.628 -3.031 -3.746 1.00 1.23 H new ATOM 0 HD23 LEU A 22 -7.399 -4.686 -4.360 1.00 1.23 H new ATOM 339 N VAL A 23 -6.792 -5.396 -2.266 1.00 0.12 N ATOM 340 CA VAL A 23 -5.629 -5.242 -1.341 1.00 0.07 C ATOM 341 C VAL A 23 -4.704 -4.133 -1.842 1.00 0.08 C ATOM 342 O VAL A 23 -3.911 -4.329 -2.741 1.00 0.14 O ATOM 343 CB VAL A 23 -4.845 -6.555 -1.279 1.00 0.12 C ATOM 344 CG1 VAL A 23 -3.703 -6.416 -0.270 1.00 0.22 C ATOM 345 CG2 VAL A 23 -5.777 -7.692 -0.850 1.00 0.32 C ATOM 0 H VAL A 23 -6.597 -5.188 -3.245 1.00 0.12 H new ATOM 0 HA VAL A 23 -6.000 -4.984 -0.349 1.00 0.07 H new ATOM 0 HB VAL A 23 -4.435 -6.781 -2.263 1.00 0.12 H new ATOM 0 HG11 VAL A 23 -3.143 -7.350 -0.224 1.00 0.22 H new ATOM 0 HG12 VAL A 23 -3.039 -5.609 -0.581 1.00 0.22 H new ATOM 0 HG13 VAL A 23 -4.113 -6.190 0.714 1.00 0.22 H new ATOM 0 HG21 VAL A 23 -5.216 -8.626 -0.807 1.00 0.32 H new ATOM 0 HG22 VAL A 23 -6.191 -7.471 0.134 1.00 0.32 H new ATOM 0 HG23 VAL A 23 -6.588 -7.789 -1.571 1.00 0.32 H new ATOM 355 N VAL A 24 -4.793 -2.969 -1.254 1.00 0.07 N ATOM 356 CA VAL A 24 -3.913 -1.841 -1.677 1.00 0.12 C ATOM 357 C VAL A 24 -2.632 -1.875 -0.841 1.00 0.16 C ATOM 358 O VAL A 24 -2.548 -2.575 0.149 1.00 0.41 O ATOM 359 CB VAL A 24 -4.642 -0.514 -1.444 1.00 0.18 C ATOM 360 CG1 VAL A 24 -3.833 0.639 -2.049 1.00 0.25 C ATOM 361 CG2 VAL A 24 -6.019 -0.568 -2.108 1.00 0.20 C ATOM 0 H VAL A 24 -5.440 -2.751 -0.496 1.00 0.07 H new ATOM 0 HA VAL A 24 -3.667 -1.936 -2.735 1.00 0.12 H new ATOM 0 HB VAL A 24 -4.755 -0.351 -0.372 1.00 0.18 H new ATOM 0 HG11 VAL A 24 -4.357 1.579 -1.880 1.00 0.25 H new ATOM 0 HG12 VAL A 24 -2.851 0.681 -1.578 1.00 0.25 H new ATOM 0 HG13 VAL A 24 -3.715 0.477 -3.120 1.00 0.25 H new ATOM 0 HG21 VAL A 24 -6.540 0.375 -1.943 1.00 0.20 H new ATOM 0 HG22 VAL A 24 -5.900 -0.735 -3.179 1.00 0.20 H new ATOM 0 HG23 VAL A 24 -6.600 -1.383 -1.676 1.00 0.20 H new ATOM 371 N VAL A 25 -1.635 -1.125 -1.227 1.00 0.18 N ATOM 372 CA VAL A 25 -0.355 -1.109 -0.454 1.00 0.15 C ATOM 373 C VAL A 25 0.197 0.314 -0.429 1.00 0.16 C ATOM 374 O VAL A 25 -0.044 1.093 -1.329 1.00 0.18 O ATOM 375 CB VAL A 25 0.661 -2.031 -1.132 1.00 0.13 C ATOM 376 CG1 VAL A 25 1.906 -2.155 -0.253 1.00 0.17 C ATOM 377 CG2 VAL A 25 0.040 -3.415 -1.336 1.00 0.13 C ATOM 0 H VAL A 25 -1.650 -0.519 -2.048 1.00 0.18 H new ATOM 0 HA VAL A 25 -0.538 -1.453 0.564 1.00 0.15 H new ATOM 0 HB VAL A 25 0.940 -1.613 -2.099 1.00 0.13 H new ATOM 0 HG11 VAL A 25 2.629 -2.812 -0.737 1.00 0.17 H new ATOM 0 HG12 VAL A 25 2.350 -1.170 -0.110 1.00 0.17 H new ATOM 0 HG13 VAL A 25 1.628 -2.572 0.715 1.00 0.17 H new ATOM 0 HG21 VAL A 25 0.764 -4.071 -1.819 1.00 0.13 H new ATOM 0 HG22 VAL A 25 -0.241 -3.834 -0.370 1.00 0.13 H new ATOM 0 HG23 VAL A 25 -0.846 -3.327 -1.965 1.00 0.13 H new ATOM 387 N ASP A 26 0.933 0.661 0.601 1.00 0.20 N ATOM 388 CA ASP A 26 1.507 2.043 0.702 1.00 0.19 C ATOM 389 C ASP A 26 3.026 1.963 0.862 1.00 0.15 C ATOM 390 O ASP A 26 3.533 1.556 1.889 1.00 0.12 O ATOM 391 CB ASP A 26 0.907 2.752 1.919 1.00 0.21 C ATOM 392 CG ASP A 26 1.589 4.107 2.116 1.00 0.18 C ATOM 393 OD1 ASP A 26 2.590 4.148 2.812 1.00 1.14 O ATOM 394 OD2 ASP A 26 1.100 5.080 1.566 1.00 0.87 O ATOM 0 H ASP A 26 1.162 0.044 1.380 1.00 0.20 H new ATOM 0 HA ASP A 26 1.269 2.599 -0.205 1.00 0.19 H new ATOM 0 HB2 ASP A 26 -0.165 2.891 1.779 1.00 0.21 H new ATOM 0 HB3 ASP A 26 1.035 2.137 2.810 1.00 0.21 H new ATOM 399 N PHE A 27 3.758 2.364 -0.146 1.00 0.14 N ATOM 400 CA PHE A 27 5.251 2.334 -0.064 1.00 0.12 C ATOM 401 C PHE A 27 5.745 3.748 0.244 1.00 0.13 C ATOM 402 O PHE A 27 5.819 4.589 -0.631 1.00 0.14 O ATOM 403 CB PHE A 27 5.831 1.886 -1.408 1.00 0.14 C ATOM 404 CG PHE A 27 5.549 0.420 -1.630 1.00 0.12 C ATOM 405 CD1 PHE A 27 4.332 0.017 -2.212 1.00 0.09 C ATOM 406 CD2 PHE A 27 6.507 -0.544 -1.262 1.00 0.12 C ATOM 407 CE1 PHE A 27 4.072 -1.350 -2.424 1.00 0.08 C ATOM 408 CE2 PHE A 27 6.247 -1.912 -1.474 1.00 0.12 C ATOM 409 CZ PHE A 27 5.029 -2.315 -2.057 1.00 0.10 C ATOM 0 H PHE A 27 3.384 2.713 -1.028 1.00 0.14 H new ATOM 0 HA PHE A 27 5.567 1.640 0.715 1.00 0.12 H new ATOM 0 HB2 PHE A 27 5.396 2.475 -2.215 1.00 0.14 H new ATOM 0 HB3 PHE A 27 6.906 2.065 -1.427 1.00 0.14 H new ATOM 0 HD1 PHE A 27 3.598 0.757 -2.496 1.00 0.09 H new ATOM 0 HD2 PHE A 27 7.441 -0.235 -0.817 1.00 0.12 H new ATOM 0 HE1 PHE A 27 3.137 -1.659 -2.869 1.00 0.08 H new ATOM 0 HE2 PHE A 27 6.981 -2.652 -1.190 1.00 0.12 H new ATOM 0 HZ PHE A 27 4.830 -3.364 -2.222 1.00 0.10 H new ATOM 419 N SER A 28 6.075 4.019 1.483 1.00 0.11 N ATOM 420 CA SER A 28 6.557 5.386 1.869 1.00 0.13 C ATOM 421 C SER A 28 7.967 5.290 2.451 1.00 0.09 C ATOM 422 O SER A 28 8.623 4.272 2.353 1.00 0.15 O ATOM 423 CB SER A 28 5.618 5.969 2.926 1.00 0.25 C ATOM 424 OG SER A 28 5.539 5.074 4.028 1.00 0.70 O ATOM 0 H SER A 28 6.031 3.348 2.250 1.00 0.11 H new ATOM 0 HA SER A 28 6.571 6.027 0.988 1.00 0.13 H new ATOM 0 HB2 SER A 28 5.983 6.941 3.257 1.00 0.25 H new ATOM 0 HB3 SER A 28 4.627 6.129 2.501 1.00 0.25 H new ATOM 0 HG SER A 28 4.939 5.445 4.708 1.00 0.70 H new ATOM 430 N ALA A 29 8.437 6.352 3.055 1.00 0.15 N ATOM 431 CA ALA A 29 9.807 6.349 3.651 1.00 0.31 C ATOM 432 C ALA A 29 9.762 7.034 5.021 1.00 0.46 C ATOM 433 O ALA A 29 9.332 8.163 5.147 1.00 0.33 O ATOM 434 CB ALA A 29 10.761 7.109 2.722 1.00 0.44 C ATOM 0 H ALA A 29 7.926 7.228 3.161 1.00 0.15 H new ATOM 0 HA ALA A 29 10.159 5.324 3.771 1.00 0.31 H new ATOM 0 HB1 ALA A 29 11.763 7.110 3.151 1.00 0.44 H new ATOM 0 HB2 ALA A 29 10.785 6.622 1.747 1.00 0.44 H new ATOM 0 HB3 ALA A 29 10.415 8.136 2.606 1.00 0.44 H new ATOM 440 N THR A 30 10.204 6.358 6.046 1.00 0.76 N ATOM 441 CA THR A 30 10.187 6.971 7.404 1.00 0.97 C ATOM 442 C THR A 30 11.342 7.967 7.528 1.00 1.13 C ATOM 443 O THR A 30 11.170 9.079 7.985 1.00 1.55 O ATOM 444 CB THR A 30 10.336 5.875 8.464 1.00 1.33 C ATOM 445 OG1 THR A 30 10.358 6.468 9.755 1.00 1.47 O ATOM 446 CG2 THR A 30 11.639 5.102 8.234 1.00 1.57 C ATOM 0 H THR A 30 10.576 5.409 6.002 1.00 0.76 H new ATOM 0 HA THR A 30 9.242 7.492 7.556 1.00 0.97 H new ATOM 0 HB THR A 30 9.494 5.187 8.391 1.00 1.33 H new ATOM 0 HG1 THR A 30 10.452 5.768 10.435 1.00 1.47 H new ATOM 0 HG21 THR A 30 11.739 4.324 8.991 1.00 1.57 H new ATOM 0 HG22 THR A 30 11.621 4.645 7.244 1.00 1.57 H new ATOM 0 HG23 THR A 30 12.485 5.786 8.303 1.00 1.57 H new ATOM 454 N TRP A 31 12.519 7.578 7.121 1.00 1.01 N ATOM 455 CA TRP A 31 13.683 8.503 7.213 1.00 1.15 C ATOM 456 C TRP A 31 13.351 9.815 6.498 1.00 0.94 C ATOM 457 O TRP A 31 13.934 10.846 6.770 1.00 0.99 O ATOM 458 CB TRP A 31 14.897 7.857 6.547 1.00 1.34 C ATOM 459 CG TRP A 31 14.532 7.445 5.158 1.00 1.14 C ATOM 460 CD1 TRP A 31 13.860 6.315 4.838 1.00 1.01 C ATOM 461 CD2 TRP A 31 14.801 8.134 3.903 1.00 1.10 C ATOM 462 NE1 TRP A 31 13.701 6.262 3.464 1.00 0.87 N ATOM 463 CE2 TRP A 31 14.260 7.359 2.841 1.00 0.96 C ATOM 464 CE3 TRP A 31 15.455 9.346 3.581 1.00 1.23 C ATOM 465 CZ2 TRP A 31 14.364 7.771 1.506 1.00 1.01 C ATOM 466 CZ3 TRP A 31 15.562 9.765 2.237 1.00 1.26 C ATOM 467 CH2 TRP A 31 15.017 8.978 1.202 1.00 1.18 C ATOM 0 H TRP A 31 12.725 6.659 6.729 1.00 1.01 H new ATOM 0 HA TRP A 31 13.904 8.706 8.261 1.00 1.15 H new ATOM 0 HB2 TRP A 31 15.731 8.559 6.524 1.00 1.34 H new ATOM 0 HB3 TRP A 31 15.225 6.991 7.122 1.00 1.34 H new ATOM 0 HD1 TRP A 31 13.505 5.575 5.540 1.00 1.01 H new ATOM 0 HE1 TRP A 31 13.228 5.504 2.972 1.00 0.87 H new ATOM 0 HE3 TRP A 31 15.875 9.955 4.368 1.00 1.23 H new ATOM 0 HZ2 TRP A 31 13.945 7.165 0.716 1.00 1.01 H new ATOM 0 HZ3 TRP A 31 16.063 10.692 2.001 1.00 1.26 H new ATOM 0 HH2 TRP A 31 15.101 9.303 0.175 1.00 1.18 H new ATOM 478 N CYS A 32 12.422 9.784 5.580 1.00 0.75 N ATOM 479 CA CYS A 32 12.053 11.028 4.840 1.00 0.68 C ATOM 480 C CYS A 32 10.964 11.779 5.611 1.00 0.56 C ATOM 481 O CYS A 32 10.214 11.200 6.371 1.00 0.56 O ATOM 482 CB CYS A 32 11.532 10.654 3.451 1.00 0.59 C ATOM 483 SG CYS A 32 10.767 12.103 2.680 1.00 0.80 S ATOM 0 H CYS A 32 11.901 8.950 5.310 1.00 0.75 H new ATOM 0 HA CYS A 32 12.930 11.668 4.741 1.00 0.68 H new ATOM 0 HB2 CYS A 32 12.350 10.289 2.831 1.00 0.59 H new ATOM 0 HB3 CYS A 32 10.806 9.845 3.529 1.00 0.59 H new ATOM 0 HG CYS A 32 10.326 11.784 1.500 1.00 0.80 H new ATOM 489 N GLY A 33 10.879 13.070 5.423 1.00 0.52 N ATOM 490 CA GLY A 33 9.845 13.876 6.145 1.00 0.44 C ATOM 491 C GLY A 33 8.579 14.016 5.285 1.00 0.39 C ATOM 492 O GLY A 33 7.542 13.494 5.644 1.00 0.31 O ATOM 0 H GLY A 33 11.483 13.605 4.798 1.00 0.52 H new ATOM 0 HA2 GLY A 33 9.598 13.397 7.092 1.00 0.44 H new ATOM 0 HA3 GLY A 33 10.243 14.863 6.381 1.00 0.44 H new ATOM 496 N PRO A 34 8.684 14.725 4.178 1.00 0.46 N ATOM 497 CA PRO A 34 7.529 14.934 3.282 1.00 0.46 C ATOM 498 C PRO A 34 6.904 13.587 2.887 1.00 0.43 C ATOM 499 O PRO A 34 5.700 13.420 2.923 1.00 0.41 O ATOM 500 CB PRO A 34 8.106 15.679 2.055 1.00 0.57 C ATOM 501 CG PRO A 34 9.603 15.986 2.356 1.00 0.62 C ATOM 502 CD PRO A 34 9.942 15.362 3.729 1.00 0.57 C ATOM 0 HA PRO A 34 6.731 15.506 3.755 1.00 0.46 H new ATOM 0 HB2 PRO A 34 8.013 15.068 1.157 1.00 0.57 H new ATOM 0 HB3 PRO A 34 7.555 16.601 1.872 1.00 0.57 H new ATOM 0 HG2 PRO A 34 10.243 15.570 1.578 1.00 0.62 H new ATOM 0 HG3 PRO A 34 9.778 17.062 2.371 1.00 0.62 H new ATOM 0 HD2 PRO A 34 10.746 14.631 3.643 1.00 0.57 H new ATOM 0 HD3 PRO A 34 10.275 16.121 4.437 1.00 0.57 H new ATOM 510 N CYS A 35 7.705 12.629 2.512 1.00 0.49 N ATOM 511 CA CYS A 35 7.144 11.305 2.118 1.00 0.46 C ATOM 512 C CYS A 35 6.678 10.554 3.368 1.00 0.43 C ATOM 513 O CYS A 35 6.727 9.341 3.429 1.00 0.49 O ATOM 514 CB CYS A 35 8.219 10.485 1.402 1.00 0.48 C ATOM 515 SG CYS A 35 8.987 11.494 0.110 1.00 0.31 S ATOM 0 H CYS A 35 8.721 12.704 2.461 1.00 0.49 H new ATOM 0 HA CYS A 35 6.297 11.456 1.448 1.00 0.46 H new ATOM 0 HB2 CYS A 35 8.973 10.153 2.115 1.00 0.48 H new ATOM 0 HB3 CYS A 35 7.777 9.590 0.965 1.00 0.48 H new ATOM 0 HG CYS A 35 9.902 10.798 -0.497 1.00 0.31 H new ATOM 521 N LYS A 36 6.226 11.267 4.369 1.00 0.44 N ATOM 522 CA LYS A 36 5.754 10.603 5.624 1.00 0.39 C ATOM 523 C LYS A 36 4.504 11.320 6.145 1.00 0.53 C ATOM 524 O LYS A 36 3.644 10.719 6.756 1.00 0.80 O ATOM 525 CB LYS A 36 6.859 10.676 6.681 1.00 0.44 C ATOM 526 CG LYS A 36 6.528 9.726 7.834 1.00 0.50 C ATOM 527 CD LYS A 36 7.587 9.864 8.929 1.00 0.86 C ATOM 528 CE LYS A 36 7.172 9.041 10.149 1.00 0.54 C ATOM 529 NZ LYS A 36 5.920 9.607 10.727 1.00 1.63 N ATOM 0 H LYS A 36 6.163 12.285 4.371 1.00 0.44 H new ATOM 0 HA LYS A 36 5.513 9.561 5.416 1.00 0.39 H new ATOM 0 HB2 LYS A 36 7.818 10.407 6.238 1.00 0.44 H new ATOM 0 HB3 LYS A 36 6.954 11.696 7.053 1.00 0.44 H new ATOM 0 HG2 LYS A 36 5.541 9.956 8.237 1.00 0.50 H new ATOM 0 HG3 LYS A 36 6.494 8.698 7.474 1.00 0.50 H new ATOM 0 HD2 LYS A 36 8.554 9.523 8.559 1.00 0.86 H new ATOM 0 HD3 LYS A 36 7.703 10.912 9.207 1.00 0.86 H new ATOM 0 HE2 LYS A 36 7.016 8.001 9.863 1.00 0.54 H new ATOM 0 HE3 LYS A 36 7.967 9.051 10.895 1.00 0.54 H new ATOM 0 HZ1 LYS A 36 5.861 9.361 11.736 1.00 1.63 H new ATOM 0 HZ2 LYS A 36 5.926 10.642 10.623 1.00 1.63 H new ATOM 0 HZ3 LYS A 36 5.098 9.214 10.226 1.00 1.63 H new ATOM 543 N MET A 37 4.399 12.600 5.911 1.00 0.39 N ATOM 544 CA MET A 37 3.206 13.352 6.396 1.00 0.52 C ATOM 545 C MET A 37 1.977 12.948 5.578 1.00 0.55 C ATOM 546 O MET A 37 0.888 13.440 5.795 1.00 0.70 O ATOM 547 CB MET A 37 3.453 14.854 6.238 1.00 0.56 C ATOM 548 CG MET A 37 4.701 15.251 7.029 1.00 1.29 C ATOM 549 SD MET A 37 5.074 16.996 6.729 1.00 3.33 S ATOM 550 CE MET A 37 6.137 17.253 8.170 1.00 3.57 C ATOM 0 H MET A 37 5.087 13.157 5.405 1.00 0.39 H new ATOM 0 HA MET A 37 3.033 13.119 7.447 1.00 0.52 H new ATOM 0 HB2 MET A 37 3.582 15.103 5.185 1.00 0.56 H new ATOM 0 HB3 MET A 37 2.589 15.415 6.595 1.00 0.56 H new ATOM 0 HG2 MET A 37 4.540 15.080 8.093 1.00 1.29 H new ATOM 0 HG3 MET A 37 5.546 14.631 6.731 1.00 1.29 H new ATOM 0 HE1 MET A 37 6.488 18.285 8.184 1.00 3.57 H new ATOM 0 HE2 MET A 37 5.572 17.049 9.080 1.00 3.57 H new ATOM 0 HE3 MET A 37 6.993 16.580 8.116 1.00 3.57 H new ATOM 560 N ILE A 38 2.146 12.057 4.635 1.00 0.47 N ATOM 561 CA ILE A 38 0.995 11.608 3.791 1.00 0.55 C ATOM 562 C ILE A 38 0.465 10.271 4.325 1.00 0.43 C ATOM 563 O ILE A 38 -0.404 9.657 3.740 1.00 0.33 O ATOM 564 CB ILE A 38 1.475 11.465 2.335 1.00 0.63 C ATOM 565 CG1 ILE A 38 1.673 12.876 1.750 1.00 0.82 C ATOM 566 CG2 ILE A 38 0.443 10.687 1.499 1.00 0.91 C ATOM 567 CD1 ILE A 38 2.331 12.808 0.356 1.00 1.04 C ATOM 0 H ILE A 38 3.039 11.617 4.411 1.00 0.47 H new ATOM 0 HA ILE A 38 0.187 12.338 3.828 1.00 0.55 H new ATOM 0 HB ILE A 38 2.414 10.911 2.310 1.00 0.63 H new ATOM 0 HG12 ILE A 38 0.710 13.382 1.678 1.00 0.82 H new ATOM 0 HG13 ILE A 38 2.295 13.468 2.421 1.00 0.82 H new ATOM 0 HG21 ILE A 38 0.800 10.596 0.473 1.00 0.91 H new ATOM 0 HG22 ILE A 38 0.305 9.693 1.925 1.00 0.91 H new ATOM 0 HG23 ILE A 38 -0.508 11.220 1.507 1.00 0.91 H new ATOM 0 HD11 ILE A 38 2.460 13.817 -0.035 1.00 1.04 H new ATOM 0 HD12 ILE A 38 3.304 12.323 0.436 1.00 1.04 H new ATOM 0 HD13 ILE A 38 1.695 12.236 -0.319 1.00 1.04 H new ATOM 579 N LYS A 39 0.965 9.814 5.449 1.00 0.56 N ATOM 580 CA LYS A 39 0.461 8.522 5.999 1.00 0.46 C ATOM 581 C LYS A 39 -0.873 8.687 6.763 1.00 0.38 C ATOM 582 O LYS A 39 -1.631 7.741 6.810 1.00 0.29 O ATOM 583 CB LYS A 39 1.535 7.835 6.881 1.00 0.54 C ATOM 584 CG LYS A 39 1.696 8.498 8.266 1.00 0.21 C ATOM 585 CD LYS A 39 2.365 7.510 9.232 1.00 0.48 C ATOM 586 CE LYS A 39 3.657 6.971 8.611 1.00 0.66 C ATOM 587 NZ LYS A 39 4.447 6.254 9.650 1.00 0.46 N ATOM 0 H LYS A 39 1.690 10.274 6.000 1.00 0.56 H new ATOM 0 HA LYS A 39 0.255 7.873 5.148 1.00 0.46 H new ATOM 0 HB2 LYS A 39 1.270 6.786 7.015 1.00 0.54 H new ATOM 0 HB3 LYS A 39 2.492 7.857 6.361 1.00 0.54 H new ATOM 0 HG2 LYS A 39 2.298 9.403 8.180 1.00 0.21 H new ATOM 0 HG3 LYS A 39 0.722 8.798 8.653 1.00 0.21 H new ATOM 0 HD2 LYS A 39 2.584 8.005 10.178 1.00 0.48 H new ATOM 0 HD3 LYS A 39 1.686 6.687 9.453 1.00 0.48 H new ATOM 0 HE2 LYS A 39 3.423 6.297 7.787 1.00 0.66 H new ATOM 0 HE3 LYS A 39 4.243 7.791 8.195 1.00 0.66 H new ATOM 0 HZ1 LYS A 39 5.324 5.888 9.228 1.00 0.46 H new ATOM 0 HZ2 LYS A 39 4.682 6.910 10.422 1.00 0.46 H new ATOM 0 HZ3 LYS A 39 3.888 5.462 10.027 1.00 0.46 H new ATOM 601 N PRO A 40 -1.166 9.849 7.344 1.00 0.43 N ATOM 602 CA PRO A 40 -2.437 10.007 8.073 1.00 0.42 C ATOM 603 C PRO A 40 -3.584 9.930 7.061 1.00 0.32 C ATOM 604 O PRO A 40 -4.732 9.741 7.410 1.00 0.38 O ATOM 605 CB PRO A 40 -2.351 11.398 8.745 1.00 0.52 C ATOM 606 CG PRO A 40 -0.962 11.997 8.385 1.00 0.60 C ATOM 607 CD PRO A 40 -0.320 11.064 7.335 1.00 0.54 C ATOM 0 HA PRO A 40 -2.613 9.236 8.823 1.00 0.42 H new ATOM 0 HB2 PRO A 40 -3.153 12.046 8.392 1.00 0.52 H new ATOM 0 HB3 PRO A 40 -2.464 11.311 9.826 1.00 0.52 H new ATOM 0 HG2 PRO A 40 -1.070 13.006 7.988 1.00 0.60 H new ATOM 0 HG3 PRO A 40 -0.332 12.069 9.272 1.00 0.60 H new ATOM 0 HD2 PRO A 40 -0.305 11.529 6.349 1.00 0.54 H new ATOM 0 HD3 PRO A 40 0.713 10.829 7.593 1.00 0.54 H new ATOM 615 N PHE A 41 -3.262 10.062 5.803 1.00 0.23 N ATOM 616 CA PHE A 41 -4.300 9.986 4.743 1.00 0.20 C ATOM 617 C PHE A 41 -4.513 8.516 4.374 1.00 0.20 C ATOM 618 O PHE A 41 -5.605 7.998 4.458 1.00 0.23 O ATOM 619 CB PHE A 41 -3.818 10.774 3.513 1.00 0.21 C ATOM 620 CG PHE A 41 -4.069 12.250 3.722 1.00 0.21 C ATOM 621 CD1 PHE A 41 -5.342 12.792 3.458 1.00 0.23 C ATOM 622 CD2 PHE A 41 -3.031 13.083 4.182 1.00 0.21 C ATOM 623 CE1 PHE A 41 -5.576 14.167 3.652 1.00 0.25 C ATOM 624 CE2 PHE A 41 -3.266 14.458 4.377 1.00 0.22 C ATOM 625 CZ PHE A 41 -4.539 14.999 4.112 1.00 0.23 C ATOM 0 H PHE A 41 -2.313 10.221 5.464 1.00 0.23 H new ATOM 0 HA PHE A 41 -5.239 10.413 5.095 1.00 0.20 H new ATOM 0 HB2 PHE A 41 -2.755 10.596 3.349 1.00 0.21 H new ATOM 0 HB3 PHE A 41 -4.341 10.429 2.621 1.00 0.21 H new ATOM 0 HD1 PHE A 41 -6.139 12.153 3.107 1.00 0.23 H new ATOM 0 HD2 PHE A 41 -2.055 12.668 4.385 1.00 0.21 H new ATOM 0 HE1 PHE A 41 -6.552 14.583 3.448 1.00 0.25 H new ATOM 0 HE2 PHE A 41 -2.470 15.097 4.730 1.00 0.22 H new ATOM 0 HZ PHE A 41 -4.719 16.053 4.262 1.00 0.23 H new ATOM 635 N PHE A 42 -3.473 7.840 3.973 1.00 0.18 N ATOM 636 CA PHE A 42 -3.613 6.403 3.609 1.00 0.19 C ATOM 637 C PHE A 42 -4.075 5.596 4.826 1.00 0.18 C ATOM 638 O PHE A 42 -5.038 4.858 4.764 1.00 0.18 O ATOM 639 CB PHE A 42 -2.262 5.866 3.131 1.00 0.21 C ATOM 640 CG PHE A 42 -2.409 4.416 2.737 1.00 0.21 C ATOM 641 CD1 PHE A 42 -2.979 4.078 1.495 1.00 0.22 C ATOM 642 CD2 PHE A 42 -1.974 3.400 3.612 1.00 0.21 C ATOM 643 CE1 PHE A 42 -3.115 2.726 1.128 1.00 0.23 C ATOM 644 CE2 PHE A 42 -2.111 2.048 3.244 1.00 0.23 C ATOM 645 CZ PHE A 42 -2.681 1.711 2.002 1.00 0.24 C ATOM 0 H PHE A 42 -2.531 8.221 3.882 1.00 0.18 H new ATOM 0 HA PHE A 42 -4.352 6.307 2.814 1.00 0.19 H new ATOM 0 HB2 PHE A 42 -1.906 6.450 2.283 1.00 0.21 H new ATOM 0 HB3 PHE A 42 -1.518 5.966 3.922 1.00 0.21 H new ATOM 0 HD1 PHE A 42 -3.312 4.856 0.824 1.00 0.22 H new ATOM 0 HD2 PHE A 42 -1.536 3.659 4.565 1.00 0.21 H new ATOM 0 HE1 PHE A 42 -3.553 2.467 0.175 1.00 0.23 H new ATOM 0 HE2 PHE A 42 -1.779 1.269 3.915 1.00 0.23 H new ATOM 0 HZ PHE A 42 -2.785 0.674 1.719 1.00 0.24 H new ATOM 655 N HIS A 43 -3.388 5.722 5.930 1.00 0.20 N ATOM 656 CA HIS A 43 -3.777 4.951 7.147 1.00 0.24 C ATOM 657 C HIS A 43 -5.197 5.338 7.578 1.00 0.28 C ATOM 658 O HIS A 43 -5.887 4.568 8.215 1.00 0.34 O ATOM 659 CB HIS A 43 -2.774 5.244 8.275 1.00 0.27 C ATOM 660 CG HIS A 43 -3.300 4.737 9.591 1.00 0.36 C ATOM 661 ND1 HIS A 43 -4.193 5.274 10.482 1.00 0.22 N flip ATOM 662 CD2 HIS A 43 -2.920 3.516 10.123 1.00 0.73 C flip ATOM 663 CE1 HIS A 43 -4.369 4.402 11.553 1.00 0.34 C flip ATOM 664 NE2 HIS A 43 -3.578 3.359 11.286 1.00 0.68 N flip ATOM 0 H HIS A 43 -2.574 6.326 6.042 1.00 0.20 H new ATOM 0 HA HIS A 43 -3.763 3.884 6.926 1.00 0.24 H new ATOM 0 HB2 HIS A 43 -1.818 4.771 8.052 1.00 0.27 H new ATOM 0 HB3 HIS A 43 -2.592 6.317 8.338 1.00 0.27 H new ATOM 0 HD2 HIS A 43 -2.223 2.817 9.684 1.00 0.73 H new ATOM 0 HE1 HIS A 43 -5.007 4.539 12.414 1.00 0.34 H new ATOM 0 HE2 HIS A 43 -3.484 2.543 11.890 1.00 0.68 H new ATOM 672 N SER A 44 -5.646 6.514 7.235 1.00 0.30 N ATOM 673 CA SER A 44 -7.025 6.913 7.633 1.00 0.36 C ATOM 674 C SER A 44 -8.032 6.047 6.874 1.00 0.42 C ATOM 675 O SER A 44 -9.083 5.708 7.384 1.00 0.51 O ATOM 676 CB SER A 44 -7.259 8.389 7.300 1.00 0.35 C ATOM 677 OG SER A 44 -8.651 8.611 7.110 1.00 1.60 O ATOM 0 H SER A 44 -5.124 7.209 6.702 1.00 0.30 H new ATOM 0 HA SER A 44 -7.150 6.771 8.706 1.00 0.36 H new ATOM 0 HB2 SER A 44 -6.885 9.020 8.106 1.00 0.35 H new ATOM 0 HB3 SER A 44 -6.709 8.663 6.400 1.00 0.35 H new ATOM 0 HG SER A 44 -8.806 9.555 6.898 1.00 1.60 H new ATOM 683 N LEU A 45 -7.717 5.676 5.661 1.00 0.37 N ATOM 684 CA LEU A 45 -8.657 4.822 4.876 1.00 0.42 C ATOM 685 C LEU A 45 -8.912 3.523 5.640 1.00 0.53 C ATOM 686 O LEU A 45 -9.950 2.907 5.513 1.00 0.60 O ATOM 687 CB LEU A 45 -8.042 4.486 3.513 1.00 0.59 C ATOM 688 CG LEU A 45 -7.521 5.760 2.842 1.00 0.56 C ATOM 689 CD1 LEU A 45 -6.821 5.392 1.533 1.00 0.83 C ATOM 690 CD2 LEU A 45 -8.691 6.708 2.550 1.00 0.62 C ATOM 0 H LEU A 45 -6.853 5.926 5.181 1.00 0.37 H new ATOM 0 HA LEU A 45 -9.593 5.361 4.728 1.00 0.42 H new ATOM 0 HB2 LEU A 45 -7.227 3.773 3.639 1.00 0.59 H new ATOM 0 HB3 LEU A 45 -8.788 4.009 2.877 1.00 0.59 H new ATOM 0 HG LEU A 45 -6.815 6.257 3.507 1.00 0.56 H new ATOM 0 HD11 LEU A 45 -6.449 6.297 1.053 1.00 0.83 H new ATOM 0 HD12 LEU A 45 -5.987 4.723 1.742 1.00 0.83 H new ATOM 0 HD13 LEU A 45 -7.528 4.894 0.870 1.00 0.83 H new ATOM 0 HD21 LEU A 45 -8.316 7.613 2.073 1.00 0.62 H new ATOM 0 HD22 LEU A 45 -9.401 6.215 1.886 1.00 0.62 H new ATOM 0 HD23 LEU A 45 -9.189 6.970 3.484 1.00 0.62 H new ATOM 702 N SER A 46 -7.962 3.098 6.424 1.00 0.58 N ATOM 703 CA SER A 46 -8.128 1.834 7.193 1.00 0.76 C ATOM 704 C SER A 46 -9.464 1.837 7.947 1.00 0.79 C ATOM 705 O SER A 46 -10.176 0.853 7.964 1.00 1.21 O ATOM 706 CB SER A 46 -6.977 1.707 8.192 1.00 0.79 C ATOM 707 OG SER A 46 -5.773 2.145 7.575 1.00 1.82 O ATOM 0 H SER A 46 -7.072 3.575 6.566 1.00 0.58 H new ATOM 0 HA SER A 46 -8.121 0.990 6.503 1.00 0.76 H new ATOM 0 HB2 SER A 46 -7.183 2.304 9.080 1.00 0.79 H new ATOM 0 HB3 SER A 46 -6.876 0.672 8.520 1.00 0.79 H new ATOM 0 HG SER A 46 -5.445 2.948 8.031 1.00 1.82 H new ATOM 713 N GLU A 47 -9.799 2.925 8.587 1.00 0.61 N ATOM 714 CA GLU A 47 -11.078 2.978 9.360 1.00 0.76 C ATOM 715 C GLU A 47 -12.229 3.461 8.469 1.00 0.68 C ATOM 716 O GLU A 47 -13.385 3.242 8.769 1.00 0.92 O ATOM 717 CB GLU A 47 -10.916 3.944 10.535 1.00 0.85 C ATOM 718 CG GLU A 47 -9.697 3.535 11.367 1.00 0.95 C ATOM 719 CD GLU A 47 -9.944 2.162 11.993 1.00 1.02 C ATOM 720 OE1 GLU A 47 -10.516 2.117 13.070 1.00 0.74 O ATOM 721 OE2 GLU A 47 -9.557 1.177 11.386 1.00 2.23 O ATOM 0 H GLU A 47 -9.244 3.780 8.609 1.00 0.61 H new ATOM 0 HA GLU A 47 -11.310 1.976 9.723 1.00 0.76 H new ATOM 0 HB2 GLU A 47 -10.794 4.963 10.168 1.00 0.85 H new ATOM 0 HB3 GLU A 47 -11.813 3.934 11.155 1.00 0.85 H new ATOM 0 HG2 GLU A 47 -8.807 3.505 10.738 1.00 0.95 H new ATOM 0 HG3 GLU A 47 -9.511 4.274 12.147 1.00 0.95 H new ATOM 728 N LYS A 48 -11.931 4.124 7.383 1.00 0.43 N ATOM 729 CA LYS A 48 -13.026 4.622 6.495 1.00 0.39 C ATOM 730 C LYS A 48 -13.477 3.506 5.548 1.00 0.29 C ATOM 731 O LYS A 48 -14.599 3.498 5.080 1.00 0.36 O ATOM 732 CB LYS A 48 -12.516 5.814 5.674 1.00 0.36 C ATOM 733 CG LYS A 48 -13.705 6.607 5.123 1.00 0.61 C ATOM 734 CD LYS A 48 -13.196 7.716 4.200 1.00 1.60 C ATOM 735 CE LYS A 48 -14.381 8.529 3.676 1.00 3.07 C ATOM 736 NZ LYS A 48 -15.044 9.229 4.812 1.00 4.68 N ATOM 0 H LYS A 48 -10.984 4.342 7.073 1.00 0.43 H new ATOM 0 HA LYS A 48 -13.871 4.935 7.109 1.00 0.39 H new ATOM 0 HB2 LYS A 48 -11.894 6.457 6.297 1.00 0.36 H new ATOM 0 HB3 LYS A 48 -11.890 5.462 4.854 1.00 0.36 H new ATOM 0 HG2 LYS A 48 -14.376 5.944 4.577 1.00 0.61 H new ATOM 0 HG3 LYS A 48 -14.280 7.037 5.943 1.00 0.61 H new ATOM 0 HD2 LYS A 48 -12.507 8.365 4.740 1.00 1.60 H new ATOM 0 HD3 LYS A 48 -12.641 7.284 3.367 1.00 1.60 H new ATOM 0 HE2 LYS A 48 -14.040 9.254 2.937 1.00 3.07 H new ATOM 0 HE3 LYS A 48 -15.092 7.873 3.174 1.00 3.07 H new ATOM 0 HZ1 LYS A 48 -15.609 10.023 4.448 1.00 4.68 H new ATOM 0 HZ2 LYS A 48 -15.665 8.563 5.315 1.00 4.68 H new ATOM 0 HZ3 LYS A 48 -14.321 9.590 5.467 1.00 4.68 H new ATOM 750 N TYR A 49 -12.609 2.569 5.258 1.00 0.15 N ATOM 751 CA TYR A 49 -12.969 1.444 4.336 1.00 0.13 C ATOM 752 C TYR A 49 -12.607 0.110 4.993 1.00 0.29 C ATOM 753 O TYR A 49 -11.639 -0.527 4.630 1.00 0.42 O ATOM 754 CB TYR A 49 -12.185 1.593 3.030 1.00 0.14 C ATOM 755 CG TYR A 49 -12.764 2.730 2.221 1.00 0.15 C ATOM 756 CD1 TYR A 49 -13.989 2.562 1.549 1.00 0.15 C ATOM 757 CD2 TYR A 49 -12.080 3.960 2.139 1.00 0.24 C ATOM 758 CE1 TYR A 49 -14.531 3.620 0.795 1.00 0.26 C ATOM 759 CE2 TYR A 49 -12.621 5.019 1.385 1.00 0.35 C ATOM 760 CZ TYR A 49 -13.846 4.849 0.713 1.00 0.36 C ATOM 761 OH TYR A 49 -14.377 5.886 -0.026 1.00 0.49 O ATOM 0 H TYR A 49 -11.657 2.534 5.623 1.00 0.15 H new ATOM 0 HA TYR A 49 -14.039 1.469 4.129 1.00 0.13 H new ATOM 0 HB2 TYR A 49 -11.134 1.784 3.245 1.00 0.14 H new ATOM 0 HB3 TYR A 49 -12.230 0.666 2.458 1.00 0.14 H new ATOM 0 HD1 TYR A 49 -14.514 1.620 1.612 1.00 0.15 H new ATOM 0 HD2 TYR A 49 -11.140 4.090 2.655 1.00 0.24 H new ATOM 0 HE1 TYR A 49 -15.471 3.490 0.280 1.00 0.26 H new ATOM 0 HE2 TYR A 49 -12.096 5.961 1.322 1.00 0.35 H new ATOM 0 HH TYR A 49 -13.780 6.662 0.023 1.00 0.49 H new ATOM 771 N SER A 50 -13.378 -0.319 5.954 1.00 0.29 N ATOM 772 CA SER A 50 -13.075 -1.612 6.628 1.00 0.44 C ATOM 773 C SER A 50 -13.321 -2.766 5.655 1.00 0.45 C ATOM 774 O SER A 50 -13.120 -3.919 5.982 1.00 0.55 O ATOM 775 CB SER A 50 -13.978 -1.777 7.849 1.00 0.51 C ATOM 776 OG SER A 50 -15.315 -1.452 7.490 1.00 0.65 O ATOM 0 H SER A 50 -14.203 0.169 6.301 1.00 0.29 H new ATOM 0 HA SER A 50 -12.032 -1.618 6.944 1.00 0.44 H new ATOM 0 HB2 SER A 50 -13.927 -2.801 8.218 1.00 0.51 H new ATOM 0 HB3 SER A 50 -13.638 -1.130 8.657 1.00 0.51 H new ATOM 0 HG SER A 50 -15.898 -1.558 8.270 1.00 0.65 H new ATOM 782 N ASN A 51 -13.755 -2.466 4.457 1.00 0.39 N ATOM 783 CA ASN A 51 -14.017 -3.543 3.453 1.00 0.46 C ATOM 784 C ASN A 51 -12.821 -3.650 2.507 1.00 0.43 C ATOM 785 O ASN A 51 -12.882 -4.308 1.486 1.00 0.48 O ATOM 786 CB ASN A 51 -15.269 -3.189 2.647 1.00 0.55 C ATOM 787 CG ASN A 51 -15.590 -4.329 1.678 1.00 0.57 C ATOM 788 OD1 ASN A 51 -15.643 -5.477 2.068 1.00 1.13 O ATOM 789 ND2 ASN A 51 -15.808 -4.056 0.420 1.00 1.18 N ATOM 0 H ASN A 51 -13.940 -1.518 4.129 1.00 0.39 H new ATOM 0 HA ASN A 51 -14.168 -4.494 3.964 1.00 0.46 H new ATOM 0 HB2 ASN A 51 -16.111 -3.020 3.318 1.00 0.55 H new ATOM 0 HB3 ASN A 51 -15.110 -2.262 2.096 1.00 0.55 H new ATOM 0 HD21 ASN A 51 -16.023 -4.808 -0.235 1.00 1.18 H new ATOM 0 HD22 ASN A 51 -15.763 -3.091 0.092 1.00 1.18 H new ATOM 796 N VAL A 52 -11.730 -3.008 2.844 1.00 0.35 N ATOM 797 CA VAL A 52 -10.509 -3.059 1.976 1.00 0.32 C ATOM 798 C VAL A 52 -9.291 -3.390 2.842 1.00 0.25 C ATOM 799 O VAL A 52 -9.224 -3.022 3.998 1.00 0.36 O ATOM 800 CB VAL A 52 -10.310 -1.696 1.306 1.00 0.40 C ATOM 801 CG1 VAL A 52 -8.968 -1.674 0.570 1.00 0.39 C ATOM 802 CG2 VAL A 52 -11.441 -1.455 0.304 1.00 0.65 C ATOM 0 H VAL A 52 -11.631 -2.446 3.689 1.00 0.35 H new ATOM 0 HA VAL A 52 -10.629 -3.825 1.210 1.00 0.32 H new ATOM 0 HB VAL A 52 -10.318 -0.915 2.066 1.00 0.40 H new ATOM 0 HG11 VAL A 52 -8.830 -0.703 0.095 1.00 0.39 H new ATOM 0 HG12 VAL A 52 -8.160 -1.848 1.281 1.00 0.39 H new ATOM 0 HG13 VAL A 52 -8.957 -2.455 -0.190 1.00 0.39 H new ATOM 0 HG21 VAL A 52 -11.303 -0.486 -0.175 1.00 0.65 H new ATOM 0 HG22 VAL A 52 -11.429 -2.239 -0.453 1.00 0.65 H new ATOM 0 HG23 VAL A 52 -12.398 -1.469 0.825 1.00 0.65 H new ATOM 812 N ILE A 53 -8.326 -4.086 2.291 1.00 0.17 N ATOM 813 CA ILE A 53 -7.107 -4.448 3.082 1.00 0.09 C ATOM 814 C ILE A 53 -5.979 -3.472 2.722 1.00 0.09 C ATOM 815 O ILE A 53 -5.549 -3.405 1.587 1.00 0.24 O ATOM 816 CB ILE A 53 -6.680 -5.885 2.726 1.00 0.14 C ATOM 817 CG1 ILE A 53 -7.924 -6.779 2.542 1.00 0.45 C ATOM 818 CG2 ILE A 53 -5.768 -6.464 3.822 1.00 0.28 C ATOM 819 CD1 ILE A 53 -8.818 -6.748 3.786 1.00 1.18 C ATOM 0 H ILE A 53 -8.330 -4.419 1.327 1.00 0.17 H new ATOM 0 HA ILE A 53 -7.320 -4.389 4.149 1.00 0.09 H new ATOM 0 HB ILE A 53 -6.122 -5.859 1.790 1.00 0.14 H new ATOM 0 HG12 ILE A 53 -8.492 -6.442 1.675 1.00 0.45 H new ATOM 0 HG13 ILE A 53 -7.612 -7.804 2.341 1.00 0.45 H new ATOM 0 HG21 ILE A 53 -5.476 -7.479 3.554 1.00 0.28 H new ATOM 0 HG22 ILE A 53 -4.877 -5.844 3.919 1.00 0.28 H new ATOM 0 HG23 ILE A 53 -6.304 -6.479 4.771 1.00 0.28 H new ATOM 0 HD11 ILE A 53 -9.686 -7.387 3.626 1.00 1.18 H new ATOM 0 HD12 ILE A 53 -8.256 -7.108 4.647 1.00 1.18 H new ATOM 0 HD13 ILE A 53 -9.149 -5.726 3.971 1.00 1.18 H new ATOM 831 N PHE A 54 -5.505 -2.710 3.679 1.00 0.09 N ATOM 832 CA PHE A 54 -4.408 -1.725 3.403 1.00 0.10 C ATOM 833 C PHE A 54 -3.107 -2.201 4.054 1.00 0.11 C ATOM 834 O PHE A 54 -3.085 -2.580 5.207 1.00 0.14 O ATOM 835 CB PHE A 54 -4.796 -0.366 3.990 1.00 0.11 C ATOM 836 CG PHE A 54 -6.087 0.101 3.365 1.00 0.13 C ATOM 837 CD1 PHE A 54 -6.071 0.746 2.113 1.00 0.24 C ATOM 838 CD2 PHE A 54 -7.307 -0.110 4.033 1.00 0.23 C ATOM 839 CE1 PHE A 54 -7.276 1.181 1.530 1.00 0.29 C ATOM 840 CE2 PHE A 54 -8.512 0.324 3.450 1.00 0.29 C ATOM 841 CZ PHE A 54 -8.497 0.971 2.199 1.00 0.28 C ATOM 0 H PHE A 54 -5.832 -2.727 4.645 1.00 0.09 H new ATOM 0 HA PHE A 54 -4.262 -1.639 2.326 1.00 0.10 H new ATOM 0 HB2 PHE A 54 -4.910 -0.444 5.071 1.00 0.11 H new ATOM 0 HB3 PHE A 54 -4.006 0.361 3.805 1.00 0.11 H new ATOM 0 HD1 PHE A 54 -5.134 0.907 1.600 1.00 0.24 H new ATOM 0 HD2 PHE A 54 -7.319 -0.605 4.993 1.00 0.23 H new ATOM 0 HE1 PHE A 54 -7.264 1.676 0.570 1.00 0.29 H new ATOM 0 HE2 PHE A 54 -9.449 0.161 3.962 1.00 0.29 H new ATOM 0 HZ PHE A 54 -9.422 1.306 1.753 1.00 0.28 H new ATOM 851 N LEU A 55 -2.021 -2.177 3.320 1.00 0.10 N ATOM 852 CA LEU A 55 -0.701 -2.617 3.878 1.00 0.11 C ATOM 853 C LEU A 55 0.212 -1.394 4.016 1.00 0.16 C ATOM 854 O LEU A 55 -0.078 -0.330 3.508 1.00 0.26 O ATOM 855 CB LEU A 55 -0.047 -3.631 2.924 1.00 0.08 C ATOM 856 CG LEU A 55 -0.644 -5.029 3.134 1.00 0.36 C ATOM 857 CD1 LEU A 55 -2.128 -5.047 2.729 1.00 0.59 C ATOM 858 CD2 LEU A 55 0.135 -6.035 2.278 1.00 0.29 C ATOM 0 H LEU A 55 -1.991 -1.868 2.348 1.00 0.10 H new ATOM 0 HA LEU A 55 -0.853 -3.083 4.851 1.00 0.11 H new ATOM 0 HB2 LEU A 55 -0.197 -3.317 1.891 1.00 0.08 H new ATOM 0 HB3 LEU A 55 1.029 -3.659 3.096 1.00 0.08 H new ATOM 0 HG LEU A 55 -0.570 -5.297 4.188 1.00 0.36 H new ATOM 0 HD11 LEU A 55 -2.535 -6.046 2.884 1.00 0.59 H new ATOM 0 HD12 LEU A 55 -2.680 -4.331 3.338 1.00 0.59 H new ATOM 0 HD13 LEU A 55 -2.221 -4.777 1.677 1.00 0.59 H new ATOM 0 HD21 LEU A 55 -0.281 -7.032 2.420 1.00 0.29 H new ATOM 0 HD22 LEU A 55 0.058 -5.755 1.227 1.00 0.29 H new ATOM 0 HD23 LEU A 55 1.183 -6.033 2.578 1.00 0.29 H new ATOM 870 N GLU A 56 1.319 -1.544 4.695 1.00 0.16 N ATOM 871 CA GLU A 56 2.267 -0.398 4.869 1.00 0.20 C ATOM 872 C GLU A 56 3.702 -0.922 4.777 1.00 0.15 C ATOM 873 O GLU A 56 4.200 -1.552 5.688 1.00 0.20 O ATOM 874 CB GLU A 56 2.048 0.245 6.240 1.00 0.31 C ATOM 875 CG GLU A 56 2.795 1.579 6.305 1.00 0.59 C ATOM 876 CD GLU A 56 2.712 2.146 7.724 1.00 0.69 C ATOM 877 OE1 GLU A 56 1.769 1.808 8.421 1.00 1.91 O ATOM 878 OE2 GLU A 56 3.591 2.910 8.088 1.00 1.11 O ATOM 0 H GLU A 56 1.611 -2.414 5.140 1.00 0.16 H new ATOM 0 HA GLU A 56 2.093 0.345 4.091 1.00 0.20 H new ATOM 0 HB2 GLU A 56 0.984 0.404 6.413 1.00 0.31 H new ATOM 0 HB3 GLU A 56 2.403 -0.421 7.026 1.00 0.31 H new ATOM 0 HG2 GLU A 56 3.837 1.438 6.020 1.00 0.59 H new ATOM 0 HG3 GLU A 56 2.363 2.284 5.595 1.00 0.59 H new ATOM 885 N VAL A 57 4.364 -0.674 3.673 1.00 0.17 N ATOM 886 CA VAL A 57 5.770 -1.162 3.497 1.00 0.16 C ATOM 887 C VAL A 57 6.750 0.005 3.613 1.00 0.15 C ATOM 888 O VAL A 57 6.444 1.127 3.263 1.00 0.20 O ATOM 889 CB VAL A 57 5.914 -1.790 2.110 1.00 0.16 C ATOM 890 CG1 VAL A 57 7.244 -2.544 2.029 1.00 0.12 C ATOM 891 CG2 VAL A 57 4.756 -2.763 1.864 1.00 0.17 C ATOM 0 H VAL A 57 3.989 -0.152 2.881 1.00 0.17 H new ATOM 0 HA VAL A 57 5.990 -1.898 4.271 1.00 0.16 H new ATOM 0 HB VAL A 57 5.893 -1.007 1.352 1.00 0.16 H new ATOM 0 HG11 VAL A 57 7.348 -2.992 1.041 1.00 0.12 H new ATOM 0 HG12 VAL A 57 8.067 -1.850 2.201 1.00 0.12 H new ATOM 0 HG13 VAL A 57 7.265 -3.327 2.787 1.00 0.12 H new ATOM 0 HG21 VAL A 57 4.860 -3.210 0.875 1.00 0.17 H new ATOM 0 HG22 VAL A 57 4.773 -3.548 2.620 1.00 0.17 H new ATOM 0 HG23 VAL A 57 3.810 -2.225 1.921 1.00 0.17 H new ATOM 901 N ASP A 58 7.940 -0.267 4.093 1.00 0.16 N ATOM 902 CA ASP A 58 8.982 0.799 4.233 1.00 0.18 C ATOM 903 C ASP A 58 10.134 0.472 3.280 1.00 0.17 C ATOM 904 O ASP A 58 10.751 -0.570 3.374 1.00 0.13 O ATOM 905 CB ASP A 58 9.495 0.820 5.677 1.00 0.22 C ATOM 906 CG ASP A 58 10.237 2.132 5.942 1.00 0.23 C ATOM 907 OD1 ASP A 58 9.763 3.160 5.489 1.00 0.88 O ATOM 908 OD2 ASP A 58 11.266 2.085 6.597 1.00 1.15 O ATOM 0 H ASP A 58 8.237 -1.194 4.397 1.00 0.16 H new ATOM 0 HA ASP A 58 8.563 1.776 3.991 1.00 0.18 H new ATOM 0 HB2 ASP A 58 8.661 0.716 6.371 1.00 0.22 H new ATOM 0 HB3 ASP A 58 10.160 -0.026 5.849 1.00 0.22 H new ATOM 913 N VAL A 59 10.418 1.340 2.352 1.00 0.24 N ATOM 914 CA VAL A 59 11.516 1.060 1.385 1.00 0.23 C ATOM 915 C VAL A 59 12.866 1.010 2.113 1.00 0.29 C ATOM 916 O VAL A 59 13.890 0.750 1.511 1.00 0.62 O ATOM 917 CB VAL A 59 11.543 2.152 0.313 1.00 0.17 C ATOM 918 CG1 VAL A 59 10.252 2.091 -0.506 1.00 0.18 C ATOM 919 CG2 VAL A 59 11.653 3.525 0.979 1.00 0.18 C ATOM 0 H VAL A 59 9.939 2.231 2.220 1.00 0.24 H new ATOM 0 HA VAL A 59 11.338 0.093 0.914 1.00 0.23 H new ATOM 0 HB VAL A 59 12.402 1.995 -0.340 1.00 0.17 H new ATOM 0 HG11 VAL A 59 10.269 2.868 -1.270 1.00 0.18 H new ATOM 0 HG12 VAL A 59 10.170 1.114 -0.983 1.00 0.18 H new ATOM 0 HG13 VAL A 59 9.397 2.247 0.151 1.00 0.18 H new ATOM 0 HG21 VAL A 59 11.672 4.300 0.213 1.00 0.18 H new ATOM 0 HG22 VAL A 59 10.795 3.682 1.633 1.00 0.18 H new ATOM 0 HG23 VAL A 59 12.570 3.572 1.566 1.00 0.18 H new ATOM 929 N ASP A 60 12.875 1.247 3.403 1.00 0.25 N ATOM 930 CA ASP A 60 14.159 1.207 4.182 1.00 0.24 C ATOM 931 C ASP A 60 14.202 -0.064 5.039 1.00 0.22 C ATOM 932 O ASP A 60 15.195 -0.761 5.080 1.00 0.26 O ATOM 933 CB ASP A 60 14.247 2.443 5.091 1.00 0.25 C ATOM 934 CG ASP A 60 14.729 3.647 4.278 1.00 0.54 C ATOM 935 OD1 ASP A 60 14.223 3.841 3.186 1.00 0.69 O ATOM 936 OD2 ASP A 60 15.599 4.353 4.761 1.00 1.98 O ATOM 0 H ASP A 60 12.046 1.468 3.954 1.00 0.25 H new ATOM 0 HA ASP A 60 15.001 1.205 3.490 1.00 0.24 H new ATOM 0 HB2 ASP A 60 13.272 2.655 5.529 1.00 0.25 H new ATOM 0 HB3 ASP A 60 14.932 2.251 5.917 1.00 0.25 H new ATOM 941 N ASP A 61 13.135 -0.367 5.730 1.00 0.19 N ATOM 942 CA ASP A 61 13.122 -1.591 6.589 1.00 0.17 C ATOM 943 C ASP A 61 12.691 -2.800 5.757 1.00 0.16 C ATOM 944 O ASP A 61 13.084 -3.918 6.026 1.00 0.44 O ATOM 945 CB ASP A 61 12.139 -1.390 7.745 1.00 0.31 C ATOM 946 CG ASP A 61 12.391 -2.448 8.822 1.00 0.18 C ATOM 947 OD1 ASP A 61 12.700 -3.571 8.459 1.00 0.80 O ATOM 948 OD2 ASP A 61 12.271 -2.117 9.989 1.00 0.89 O ATOM 0 H ASP A 61 12.273 0.178 5.738 1.00 0.19 H new ATOM 0 HA ASP A 61 14.122 -1.765 6.986 1.00 0.17 H new ATOM 0 HB2 ASP A 61 12.257 -0.392 8.167 1.00 0.31 H new ATOM 0 HB3 ASP A 61 11.114 -1.463 7.381 1.00 0.31 H new ATOM 953 N ALA A 62 11.882 -2.583 4.747 1.00 0.19 N ATOM 954 CA ALA A 62 11.409 -3.711 3.882 1.00 0.14 C ATOM 955 C ALA A 62 11.903 -3.497 2.450 1.00 0.14 C ATOM 956 O ALA A 62 11.220 -3.804 1.494 1.00 0.37 O ATOM 957 CB ALA A 62 9.879 -3.742 3.888 1.00 0.32 C ATOM 0 H ALA A 62 11.526 -1.664 4.483 1.00 0.19 H new ATOM 0 HA ALA A 62 11.799 -4.654 4.265 1.00 0.14 H new ATOM 0 HB1 ALA A 62 9.529 -4.561 3.260 1.00 0.32 H new ATOM 0 HB2 ALA A 62 9.522 -3.888 4.907 1.00 0.32 H new ATOM 0 HB3 ALA A 62 9.494 -2.798 3.501 1.00 0.32 H new ATOM 963 N GLN A 63 13.089 -2.973 2.295 1.00 0.26 N ATOM 964 CA GLN A 63 13.627 -2.742 0.924 1.00 0.40 C ATOM 965 C GLN A 63 13.585 -4.050 0.132 1.00 0.26 C ATOM 966 O GLN A 63 13.764 -4.067 -1.068 1.00 0.38 O ATOM 967 CB GLN A 63 15.074 -2.251 1.021 1.00 0.62 C ATOM 968 CG GLN A 63 15.892 -3.233 1.862 1.00 0.57 C ATOM 969 CD GLN A 63 17.339 -2.749 1.949 1.00 1.97 C ATOM 970 OE1 GLN A 63 17.776 -2.288 2.985 1.00 3.19 O ATOM 971 NE2 GLN A 63 18.108 -2.835 0.897 1.00 2.41 N ATOM 0 H GLN A 63 13.707 -2.695 3.057 1.00 0.26 H new ATOM 0 HA GLN A 63 13.021 -1.991 0.417 1.00 0.40 H new ATOM 0 HB2 GLN A 63 15.506 -2.162 0.024 1.00 0.62 H new ATOM 0 HB3 GLN A 63 15.103 -1.259 1.471 1.00 0.62 H new ATOM 0 HG2 GLN A 63 15.465 -3.316 2.861 1.00 0.57 H new ATOM 0 HG3 GLN A 63 15.856 -4.227 1.416 1.00 0.57 H new ATOM 0 HE21 GLN A 63 17.741 -3.222 0.027 1.00 2.41 H new ATOM 0 HE22 GLN A 63 19.075 -2.515 0.945 1.00 2.41 H new ATOM 980 N ASP A 64 13.349 -5.149 0.797 1.00 0.11 N ATOM 981 CA ASP A 64 13.294 -6.454 0.081 1.00 0.22 C ATOM 982 C ASP A 64 12.028 -6.513 -0.772 1.00 0.25 C ATOM 983 O ASP A 64 12.039 -6.996 -1.887 1.00 0.60 O ATOM 984 CB ASP A 64 13.278 -7.596 1.100 1.00 0.35 C ATOM 985 CG ASP A 64 12.060 -7.447 2.015 1.00 0.21 C ATOM 986 OD1 ASP A 64 11.917 -6.390 2.608 1.00 1.34 O ATOM 987 OD2 ASP A 64 11.294 -8.390 2.106 1.00 1.55 O ATOM 0 H ASP A 64 13.192 -5.199 1.804 1.00 0.11 H new ATOM 0 HA ASP A 64 14.169 -6.554 -0.561 1.00 0.22 H new ATOM 0 HB2 ASP A 64 13.244 -8.556 0.585 1.00 0.35 H new ATOM 0 HB3 ASP A 64 14.194 -7.583 1.691 1.00 0.35 H new ATOM 992 N VAL A 65 10.936 -6.020 -0.259 1.00 0.19 N ATOM 993 CA VAL A 65 9.667 -6.042 -1.039 1.00 0.14 C ATOM 994 C VAL A 65 9.677 -4.893 -2.049 1.00 0.08 C ATOM 995 O VAL A 65 9.170 -5.013 -3.147 1.00 0.08 O ATOM 996 CB VAL A 65 8.479 -5.878 -0.089 1.00 0.08 C ATOM 997 CG1 VAL A 65 7.177 -5.895 -0.891 1.00 0.20 C ATOM 998 CG2 VAL A 65 8.471 -7.030 0.919 1.00 0.15 C ATOM 0 H VAL A 65 10.867 -5.602 0.669 1.00 0.19 H new ATOM 0 HA VAL A 65 9.578 -6.992 -1.566 1.00 0.14 H new ATOM 0 HB VAL A 65 8.566 -4.930 0.441 1.00 0.08 H new ATOM 0 HG11 VAL A 65 6.331 -5.778 -0.214 1.00 0.20 H new ATOM 0 HG12 VAL A 65 7.182 -5.076 -1.610 1.00 0.20 H new ATOM 0 HG13 VAL A 65 7.089 -6.843 -1.422 1.00 0.20 H new ATOM 0 HG21 VAL A 65 7.625 -6.915 1.597 1.00 0.15 H new ATOM 0 HG22 VAL A 65 8.384 -7.978 0.388 1.00 0.15 H new ATOM 0 HG23 VAL A 65 9.399 -7.019 1.491 1.00 0.15 H new ATOM 1008 N ALA A 66 10.252 -3.779 -1.687 1.00 0.06 N ATOM 1009 CA ALA A 66 10.296 -2.623 -2.626 1.00 0.06 C ATOM 1010 C ALA A 66 11.095 -3.009 -3.872 1.00 0.07 C ATOM 1011 O ALA A 66 10.800 -2.580 -4.969 1.00 0.10 O ATOM 1012 CB ALA A 66 10.967 -1.433 -1.938 1.00 0.16 C ATOM 0 H ALA A 66 10.693 -3.619 -0.781 1.00 0.06 H new ATOM 0 HA ALA A 66 9.281 -2.350 -2.915 1.00 0.06 H new ATOM 0 HB1 ALA A 66 11.000 -0.587 -2.624 1.00 0.16 H new ATOM 0 HB2 ALA A 66 10.398 -1.158 -1.050 1.00 0.16 H new ATOM 0 HB3 ALA A 66 11.982 -1.705 -1.649 1.00 0.16 H new ATOM 1018 N SER A 67 12.107 -3.818 -3.710 1.00 0.10 N ATOM 1019 CA SER A 67 12.926 -4.233 -4.884 1.00 0.16 C ATOM 1020 C SER A 67 12.066 -5.067 -5.837 1.00 0.20 C ATOM 1021 O SER A 67 12.274 -5.067 -7.033 1.00 0.25 O ATOM 1022 CB SER A 67 14.114 -5.067 -4.406 1.00 0.23 C ATOM 1023 OG SER A 67 13.637 -6.272 -3.820 1.00 0.98 O ATOM 0 H SER A 67 12.402 -4.209 -2.815 1.00 0.10 H new ATOM 0 HA SER A 67 13.290 -3.348 -5.405 1.00 0.16 H new ATOM 0 HB2 SER A 67 14.775 -5.293 -5.243 1.00 0.23 H new ATOM 0 HB3 SER A 67 14.700 -4.503 -3.680 1.00 0.23 H new ATOM 0 HG SER A 67 13.077 -6.059 -3.044 1.00 0.98 H new ATOM 1029 N GLU A 68 11.101 -5.775 -5.316 1.00 0.28 N ATOM 1030 CA GLU A 68 10.231 -6.604 -6.196 1.00 0.36 C ATOM 1031 C GLU A 68 9.546 -5.699 -7.218 1.00 0.39 C ATOM 1032 O GLU A 68 9.702 -5.862 -8.412 1.00 0.44 O ATOM 1033 CB GLU A 68 9.172 -7.311 -5.348 1.00 0.36 C ATOM 1034 CG GLU A 68 8.404 -8.310 -6.217 1.00 0.17 C ATOM 1035 CD GLU A 68 7.533 -9.198 -5.326 1.00 1.38 C ATOM 1036 OE1 GLU A 68 8.068 -9.772 -4.392 1.00 2.06 O ATOM 1037 OE2 GLU A 68 6.347 -9.291 -5.595 1.00 2.18 O ATOM 0 H GLU A 68 10.878 -5.815 -4.321 1.00 0.28 H new ATOM 0 HA GLU A 68 10.835 -7.350 -6.713 1.00 0.36 H new ATOM 0 HB2 GLU A 68 9.645 -7.828 -4.513 1.00 0.36 H new ATOM 0 HB3 GLU A 68 8.485 -6.580 -4.922 1.00 0.36 H new ATOM 0 HG2 GLU A 68 7.782 -7.779 -6.938 1.00 0.17 H new ATOM 0 HG3 GLU A 68 9.101 -8.923 -6.788 1.00 0.17 H new ATOM 1044 N ALA A 69 8.795 -4.740 -6.757 1.00 0.36 N ATOM 1045 CA ALA A 69 8.103 -3.813 -7.696 1.00 0.40 C ATOM 1046 C ALA A 69 9.083 -2.724 -8.135 1.00 0.38 C ATOM 1047 O ALA A 69 8.764 -1.875 -8.944 1.00 0.41 O ATOM 1048 CB ALA A 69 6.907 -3.171 -6.991 1.00 0.38 C ATOM 0 H ALA A 69 8.629 -4.557 -5.767 1.00 0.36 H new ATOM 0 HA ALA A 69 7.752 -4.365 -8.568 1.00 0.40 H new ATOM 0 HB1 ALA A 69 6.401 -2.493 -7.678 1.00 0.38 H new ATOM 0 HB2 ALA A 69 6.213 -3.948 -6.671 1.00 0.38 H new ATOM 0 HB3 ALA A 69 7.254 -2.614 -6.121 1.00 0.38 H new ATOM 1054 N GLU A 70 10.276 -2.744 -7.606 1.00 0.35 N ATOM 1055 CA GLU A 70 11.282 -1.713 -7.989 1.00 0.38 C ATOM 1056 C GLU A 70 10.680 -0.320 -7.808 1.00 0.39 C ATOM 1057 O GLU A 70 10.461 0.401 -8.762 1.00 0.40 O ATOM 1058 CB GLU A 70 11.683 -1.910 -9.453 1.00 0.43 C ATOM 1059 CG GLU A 70 12.199 -3.336 -9.654 1.00 1.00 C ATOM 1060 CD GLU A 70 12.631 -3.523 -11.111 1.00 1.73 C ATOM 1061 OE1 GLU A 70 13.705 -3.056 -11.452 1.00 1.73 O ATOM 1062 OE2 GLU A 70 11.881 -4.128 -11.858 1.00 2.60 O ATOM 0 H GLU A 70 10.598 -3.431 -6.924 1.00 0.35 H new ATOM 0 HA GLU A 70 12.163 -1.812 -7.355 1.00 0.38 H new ATOM 0 HB2 GLU A 70 10.828 -1.727 -10.103 1.00 0.43 H new ATOM 0 HB3 GLU A 70 12.454 -1.191 -9.730 1.00 0.43 H new ATOM 0 HG2 GLU A 70 13.040 -3.527 -8.987 1.00 1.00 H new ATOM 0 HG3 GLU A 70 11.420 -4.055 -9.399 1.00 1.00 H new ATOM 1069 N VAL A 71 10.411 0.070 -6.590 1.00 0.39 N ATOM 1070 CA VAL A 71 9.824 1.421 -6.350 1.00 0.42 C ATOM 1071 C VAL A 71 10.948 2.456 -6.275 1.00 0.85 C ATOM 1072 O VAL A 71 11.677 2.522 -5.304 1.00 1.26 O ATOM 1073 CB VAL A 71 9.048 1.415 -5.032 1.00 0.25 C ATOM 1074 CG1 VAL A 71 8.196 2.682 -4.932 1.00 0.44 C ATOM 1075 CG2 VAL A 71 8.138 0.186 -4.982 1.00 0.63 C ATOM 0 H VAL A 71 10.572 -0.488 -5.752 1.00 0.39 H new ATOM 0 HA VAL A 71 9.148 1.674 -7.167 1.00 0.42 H new ATOM 0 HB VAL A 71 9.751 1.384 -4.199 1.00 0.25 H new ATOM 0 HG11 VAL A 71 7.644 2.676 -3.992 1.00 0.44 H new ATOM 0 HG12 VAL A 71 8.842 3.559 -4.967 1.00 0.44 H new ATOM 0 HG13 VAL A 71 7.494 2.715 -5.765 1.00 0.44 H new ATOM 0 HG21 VAL A 71 7.585 0.181 -4.043 1.00 0.63 H new ATOM 0 HG22 VAL A 71 7.437 0.218 -5.816 1.00 0.63 H new ATOM 0 HG23 VAL A 71 8.743 -0.718 -5.051 1.00 0.63 H new ATOM 1085 N LYS A 72 11.095 3.263 -7.297 1.00 0.92 N ATOM 1086 CA LYS A 72 12.173 4.304 -7.306 1.00 1.38 C ATOM 1087 C LYS A 72 11.539 5.689 -7.160 1.00 0.94 C ATOM 1088 O LYS A 72 12.121 6.691 -7.528 1.00 0.86 O ATOM 1089 CB LYS A 72 12.929 4.234 -8.635 1.00 2.06 C ATOM 1090 CG LYS A 72 13.632 2.880 -8.754 1.00 3.08 C ATOM 1091 CD LYS A 72 14.480 2.854 -10.027 1.00 3.74 C ATOM 1092 CE LYS A 72 15.200 1.509 -10.135 1.00 3.45 C ATOM 1093 NZ LYS A 72 16.045 1.495 -11.363 1.00 4.36 N ATOM 0 H LYS A 72 10.510 3.246 -8.133 1.00 0.92 H new ATOM 0 HA LYS A 72 12.862 4.127 -6.480 1.00 1.38 H new ATOM 0 HB2 LYS A 72 12.237 4.370 -9.466 1.00 2.06 H new ATOM 0 HB3 LYS A 72 13.660 5.041 -8.693 1.00 2.06 H new ATOM 0 HG2 LYS A 72 14.262 2.708 -7.881 1.00 3.08 H new ATOM 0 HG3 LYS A 72 12.895 2.077 -8.779 1.00 3.08 H new ATOM 0 HD2 LYS A 72 13.848 3.011 -10.901 1.00 3.74 H new ATOM 0 HD3 LYS A 72 15.206 3.667 -10.009 1.00 3.74 H new ATOM 0 HE2 LYS A 72 15.819 1.344 -9.253 1.00 3.45 H new ATOM 0 HE3 LYS A 72 14.473 0.697 -10.171 1.00 3.45 H new ATOM 0 HZ1 LYS A 72 16.535 0.581 -11.437 1.00 4.36 H new ATOM 0 HZ2 LYS A 72 15.443 1.634 -12.200 1.00 4.36 H new ATOM 0 HZ3 LYS A 72 16.747 2.260 -11.310 1.00 4.36 H new ATOM 1107 N ALA A 73 10.351 5.753 -6.624 1.00 0.67 N ATOM 1108 CA ALA A 73 9.678 7.071 -6.450 1.00 0.24 C ATOM 1109 C ALA A 73 8.621 6.954 -5.352 1.00 0.22 C ATOM 1110 O ALA A 73 7.523 6.490 -5.583 1.00 0.51 O ATOM 1111 CB ALA A 73 9.006 7.478 -7.764 1.00 0.39 C ATOM 0 H ALA A 73 9.816 4.948 -6.298 1.00 0.67 H new ATOM 0 HA ALA A 73 10.414 7.825 -6.172 1.00 0.24 H new ATOM 0 HB1 ALA A 73 8.513 8.442 -7.637 1.00 0.39 H new ATOM 0 HB2 ALA A 73 9.758 7.555 -8.549 1.00 0.39 H new ATOM 0 HB3 ALA A 73 8.267 6.727 -8.043 1.00 0.39 H new ATOM 1117 N THR A 74 8.945 7.370 -4.154 1.00 0.23 N ATOM 1118 CA THR A 74 7.967 7.284 -3.024 1.00 0.23 C ATOM 1119 C THR A 74 7.345 8.676 -2.796 1.00 0.25 C ATOM 1120 O THR A 74 7.980 9.670 -3.092 1.00 0.28 O ATOM 1121 CB THR A 74 8.722 6.849 -1.758 1.00 0.28 C ATOM 1122 OG1 THR A 74 9.983 7.502 -1.717 1.00 0.30 O ATOM 1123 CG2 THR A 74 8.935 5.332 -1.777 1.00 0.30 C ATOM 0 H THR A 74 9.851 7.768 -3.907 1.00 0.23 H new ATOM 0 HA THR A 74 7.181 6.565 -3.254 1.00 0.23 H new ATOM 0 HB THR A 74 8.138 7.119 -0.878 1.00 0.28 H new ATOM 0 HG1 THR A 74 10.467 7.228 -0.910 1.00 0.30 H new ATOM 0 HG21 THR A 74 9.471 5.029 -0.878 1.00 0.30 H new ATOM 0 HG22 THR A 74 7.968 4.829 -1.811 1.00 0.30 H new ATOM 0 HG23 THR A 74 9.518 5.057 -2.656 1.00 0.30 H new ATOM 1131 N PRO A 75 6.137 8.736 -2.257 1.00 0.23 N ATOM 1132 CA PRO A 75 5.321 7.555 -1.877 1.00 0.19 C ATOM 1133 C PRO A 75 4.698 6.911 -3.131 1.00 0.16 C ATOM 1134 O PRO A 75 4.632 7.514 -4.185 1.00 0.08 O ATOM 1135 CB PRO A 75 4.218 8.132 -0.957 1.00 0.20 C ATOM 1136 CG PRO A 75 4.279 9.683 -1.083 1.00 0.24 C ATOM 1137 CD PRO A 75 5.504 10.032 -1.957 1.00 0.27 C ATOM 0 HA PRO A 75 5.908 6.779 -1.385 1.00 0.19 H new ATOM 0 HB2 PRO A 75 3.237 7.760 -1.253 1.00 0.20 H new ATOM 0 HB3 PRO A 75 4.378 7.823 0.076 1.00 0.20 H new ATOM 0 HG2 PRO A 75 3.364 10.067 -1.535 1.00 0.24 H new ATOM 0 HG3 PRO A 75 4.366 10.144 -0.099 1.00 0.24 H new ATOM 0 HD2 PRO A 75 5.204 10.546 -2.870 1.00 0.27 H new ATOM 0 HD3 PRO A 75 6.190 10.694 -1.429 1.00 0.27 H new ATOM 1145 N THR A 76 4.240 5.691 -3.015 1.00 0.23 N ATOM 1146 CA THR A 76 3.620 5.001 -4.187 1.00 0.21 C ATOM 1147 C THR A 76 2.537 4.041 -3.688 1.00 0.21 C ATOM 1148 O THR A 76 2.593 3.559 -2.574 1.00 0.16 O ATOM 1149 CB THR A 76 4.696 4.215 -4.945 1.00 0.20 C ATOM 1150 OG1 THR A 76 5.603 5.125 -5.551 1.00 0.23 O ATOM 1151 CG2 THR A 76 4.042 3.351 -6.025 1.00 0.20 C ATOM 0 H THR A 76 4.269 5.141 -2.157 1.00 0.23 H new ATOM 0 HA THR A 76 3.175 5.738 -4.856 1.00 0.21 H new ATOM 0 HB THR A 76 5.233 3.572 -4.248 1.00 0.20 H new ATOM 0 HG1 THR A 76 6.309 5.358 -4.912 1.00 0.23 H new ATOM 0 HG21 THR A 76 4.811 2.794 -6.561 1.00 0.20 H new ATOM 0 HG22 THR A 76 3.346 2.653 -5.560 1.00 0.20 H new ATOM 0 HG23 THR A 76 3.502 3.990 -6.724 1.00 0.20 H new ATOM 1159 N PHE A 77 1.549 3.764 -4.506 1.00 0.28 N ATOM 1160 CA PHE A 77 0.446 2.838 -4.093 1.00 0.28 C ATOM 1161 C PHE A 77 0.277 1.738 -5.142 1.00 0.29 C ATOM 1162 O PHE A 77 0.387 1.977 -6.328 1.00 0.37 O ATOM 1163 CB PHE A 77 -0.858 3.629 -3.973 1.00 0.31 C ATOM 1164 CG PHE A 77 -0.672 4.745 -2.975 1.00 0.29 C ATOM 1165 CD1 PHE A 77 -0.173 5.991 -3.398 1.00 0.36 C ATOM 1166 CD2 PHE A 77 -0.994 4.537 -1.619 1.00 0.24 C ATOM 1167 CE1 PHE A 77 0.006 7.032 -2.466 1.00 0.33 C ATOM 1168 CE2 PHE A 77 -0.815 5.579 -0.688 1.00 0.24 C ATOM 1169 CZ PHE A 77 -0.316 6.825 -1.111 1.00 0.26 C ATOM 0 H PHE A 77 1.459 4.143 -5.449 1.00 0.28 H new ATOM 0 HA PHE A 77 0.693 2.386 -3.132 1.00 0.28 H new ATOM 0 HB2 PHE A 77 -1.141 4.037 -4.944 1.00 0.31 H new ATOM 0 HB3 PHE A 77 -1.668 2.972 -3.655 1.00 0.31 H new ATOM 0 HD1 PHE A 77 0.073 6.149 -4.438 1.00 0.36 H new ATOM 0 HD2 PHE A 77 -1.377 3.581 -1.294 1.00 0.24 H new ATOM 0 HE1 PHE A 77 0.390 7.988 -2.790 1.00 0.33 H new ATOM 0 HE2 PHE A 77 -1.061 5.421 0.352 1.00 0.24 H new ATOM 0 HZ PHE A 77 -0.180 7.623 -0.396 1.00 0.26 H new ATOM 1179 N GLN A 78 0.010 0.529 -4.706 1.00 0.21 N ATOM 1180 CA GLN A 78 -0.173 -0.612 -5.660 1.00 0.20 C ATOM 1181 C GLN A 78 -1.508 -1.304 -5.373 1.00 0.18 C ATOM 1182 O GLN A 78 -1.917 -1.437 -4.236 1.00 0.18 O ATOM 1183 CB GLN A 78 0.968 -1.614 -5.472 1.00 0.18 C ATOM 1184 CG GLN A 78 2.250 -1.046 -6.086 1.00 0.81 C ATOM 1185 CD GLN A 78 3.404 -2.025 -5.854 1.00 1.17 C ATOM 1186 OE1 GLN A 78 4.482 -1.610 -5.248 1.00 2.55 O flip ATOM 1187 NE2 GLN A 78 3.322 -3.178 -6.228 1.00 0.83 N flip ATOM 0 H GLN A 78 -0.090 0.282 -3.721 1.00 0.21 H new ATOM 0 HA GLN A 78 -0.168 -0.238 -6.684 1.00 0.20 H new ATOM 0 HB2 GLN A 78 1.118 -1.816 -4.411 1.00 0.18 H new ATOM 0 HB3 GLN A 78 0.715 -2.563 -5.945 1.00 0.18 H new ATOM 0 HG2 GLN A 78 2.111 -0.878 -7.154 1.00 0.81 H new ATOM 0 HG3 GLN A 78 2.483 -0.080 -5.639 1.00 0.81 H new ATOM 0 HE21 GLN A 78 2.479 -3.502 -6.702 1.00 0.83 H new ATOM 0 HE22 GLN A 78 4.096 -3.822 -6.068 1.00 0.83 H new ATOM 1196 N PHE A 79 -2.189 -1.747 -6.400 1.00 0.17 N ATOM 1197 CA PHE A 79 -3.506 -2.437 -6.211 1.00 0.14 C ATOM 1198 C PHE A 79 -3.344 -3.932 -6.488 1.00 0.13 C ATOM 1199 O PHE A 79 -3.144 -4.345 -7.614 1.00 0.13 O ATOM 1200 CB PHE A 79 -4.525 -1.852 -7.192 1.00 0.13 C ATOM 1201 CG PHE A 79 -4.915 -0.465 -6.740 1.00 0.15 C ATOM 1202 CD1 PHE A 79 -3.977 0.582 -6.805 1.00 0.17 C ATOM 1203 CD2 PHE A 79 -6.212 -0.217 -6.245 1.00 0.16 C ATOM 1204 CE1 PHE A 79 -4.332 1.876 -6.377 1.00 0.19 C ATOM 1205 CE2 PHE A 79 -6.567 1.075 -5.817 1.00 0.18 C ATOM 1206 CZ PHE A 79 -5.628 2.122 -5.882 1.00 0.20 C ATOM 0 H PHE A 79 -1.888 -1.660 -7.371 1.00 0.17 H new ATOM 0 HA PHE A 79 -3.850 -2.291 -5.187 1.00 0.14 H new ATOM 0 HB2 PHE A 79 -4.100 -1.814 -8.195 1.00 0.13 H new ATOM 0 HB3 PHE A 79 -5.406 -2.491 -7.243 1.00 0.13 H new ATOM 0 HD1 PHE A 79 -2.983 0.393 -7.184 1.00 0.17 H new ATOM 0 HD2 PHE A 79 -6.933 -1.019 -6.195 1.00 0.16 H new ATOM 0 HE1 PHE A 79 -3.612 2.679 -6.428 1.00 0.19 H new ATOM 0 HE2 PHE A 79 -7.561 1.264 -5.438 1.00 0.18 H new ATOM 0 HZ PHE A 79 -5.901 3.114 -5.552 1.00 0.20 H new ATOM 1216 N PHE A 80 -3.433 -4.747 -5.465 1.00 0.11 N ATOM 1217 CA PHE A 80 -3.290 -6.228 -5.647 1.00 0.12 C ATOM 1218 C PHE A 80 -4.645 -6.898 -5.406 1.00 0.09 C ATOM 1219 O PHE A 80 -5.470 -6.406 -4.661 1.00 0.11 O ATOM 1220 CB PHE A 80 -2.271 -6.766 -4.633 1.00 0.15 C ATOM 1221 CG PHE A 80 -0.867 -6.485 -5.121 1.00 0.13 C ATOM 1222 CD1 PHE A 80 -0.306 -7.276 -6.143 1.00 0.23 C ATOM 1223 CD2 PHE A 80 -0.119 -5.435 -4.555 1.00 0.15 C ATOM 1224 CE1 PHE A 80 1.001 -7.018 -6.597 1.00 0.23 C ATOM 1225 CE2 PHE A 80 1.188 -5.176 -5.009 1.00 0.14 C ATOM 1226 CZ PHE A 80 1.748 -5.968 -6.031 1.00 0.10 C ATOM 0 H PHE A 80 -3.600 -4.448 -4.504 1.00 0.11 H new ATOM 0 HA PHE A 80 -2.949 -6.443 -6.660 1.00 0.12 H new ATOM 0 HB2 PHE A 80 -2.429 -6.298 -3.661 1.00 0.15 H new ATOM 0 HB3 PHE A 80 -2.411 -7.838 -4.497 1.00 0.15 H new ATOM 0 HD1 PHE A 80 -0.879 -8.081 -6.578 1.00 0.23 H new ATOM 0 HD2 PHE A 80 -0.548 -4.828 -3.772 1.00 0.15 H new ATOM 0 HE1 PHE A 80 1.431 -7.626 -7.380 1.00 0.23 H new ATOM 0 HE2 PHE A 80 1.761 -4.371 -4.574 1.00 0.14 H new ATOM 0 HZ PHE A 80 2.751 -5.769 -6.380 1.00 0.10 H new ATOM 1236 N LYS A 81 -4.879 -8.022 -6.029 1.00 0.07 N ATOM 1237 CA LYS A 81 -6.178 -8.732 -5.839 1.00 0.06 C ATOM 1238 C LYS A 81 -5.969 -10.233 -6.060 1.00 0.11 C ATOM 1239 O LYS A 81 -5.364 -10.647 -7.029 1.00 0.19 O ATOM 1240 CB LYS A 81 -7.201 -8.201 -6.848 1.00 0.09 C ATOM 1241 CG LYS A 81 -8.611 -8.607 -6.412 1.00 0.20 C ATOM 1242 CD LYS A 81 -9.639 -7.981 -7.357 1.00 0.37 C ATOM 1243 CE LYS A 81 -11.033 -8.073 -6.731 1.00 0.46 C ATOM 1244 NZ LYS A 81 -12.036 -7.485 -7.664 1.00 1.24 N ATOM 0 H LYS A 81 -4.225 -8.481 -6.663 1.00 0.07 H new ATOM 0 HA LYS A 81 -6.547 -8.561 -4.828 1.00 0.06 H new ATOM 0 HB2 LYS A 81 -7.129 -7.116 -6.917 1.00 0.09 H new ATOM 0 HB3 LYS A 81 -6.988 -8.598 -7.840 1.00 0.09 H new ATOM 0 HG2 LYS A 81 -8.707 -9.693 -6.421 1.00 0.20 H new ATOM 0 HG3 LYS A 81 -8.795 -8.279 -5.389 1.00 0.20 H new ATOM 0 HD2 LYS A 81 -9.384 -6.939 -7.550 1.00 0.37 H new ATOM 0 HD3 LYS A 81 -9.626 -8.496 -8.318 1.00 0.37 H new ATOM 0 HE2 LYS A 81 -11.281 -9.113 -6.522 1.00 0.46 H new ATOM 0 HE3 LYS A 81 -11.052 -7.543 -5.779 1.00 0.46 H new ATOM 0 HZ1 LYS A 81 -12.983 -7.547 -7.239 1.00 1.24 H new ATOM 0 HZ2 LYS A 81 -11.801 -6.488 -7.842 1.00 1.24 H new ATOM 0 HZ3 LYS A 81 -12.024 -8.009 -8.562 1.00 1.24 H new ATOM 1258 N LYS A 82 -6.459 -11.050 -5.166 1.00 0.07 N ATOM 1259 CA LYS A 82 -6.284 -12.522 -5.324 1.00 0.12 C ATOM 1260 C LYS A 82 -4.801 -12.835 -5.537 1.00 0.23 C ATOM 1261 O LYS A 82 -4.434 -13.937 -5.897 1.00 0.34 O ATOM 1262 CB LYS A 82 -7.093 -13.013 -6.530 1.00 0.32 C ATOM 1263 CG LYS A 82 -8.582 -13.029 -6.174 1.00 0.63 C ATOM 1264 CD LYS A 82 -9.415 -13.133 -7.455 1.00 0.67 C ATOM 1265 CE LYS A 82 -9.126 -14.465 -8.151 1.00 1.32 C ATOM 1266 NZ LYS A 82 -10.184 -14.736 -9.164 1.00 2.44 N ATOM 0 H LYS A 82 -6.973 -10.761 -4.333 1.00 0.07 H new ATOM 0 HA LYS A 82 -6.639 -13.029 -4.426 1.00 0.12 H new ATOM 0 HB2 LYS A 82 -6.920 -12.362 -7.387 1.00 0.32 H new ATOM 0 HB3 LYS A 82 -6.766 -14.012 -6.818 1.00 0.32 H new ATOM 0 HG2 LYS A 82 -8.800 -13.871 -5.517 1.00 0.63 H new ATOM 0 HG3 LYS A 82 -8.846 -12.123 -5.629 1.00 0.63 H new ATOM 0 HD2 LYS A 82 -10.476 -13.058 -7.217 1.00 0.67 H new ATOM 0 HD3 LYS A 82 -9.179 -12.304 -8.122 1.00 0.67 H new ATOM 0 HE2 LYS A 82 -8.148 -14.432 -8.631 1.00 1.32 H new ATOM 0 HE3 LYS A 82 -9.094 -15.271 -7.418 1.00 1.32 H new ATOM 0 HZ1 LYS A 82 -9.988 -15.641 -9.637 1.00 2.44 H new ATOM 0 HZ2 LYS A 82 -11.110 -14.785 -8.694 1.00 2.44 H new ATOM 0 HZ3 LYS A 82 -10.193 -13.972 -9.869 1.00 2.44 H new ATOM 1280 N GLY A 83 -3.944 -11.874 -5.313 1.00 0.26 N ATOM 1281 CA GLY A 83 -2.480 -12.109 -5.498 1.00 0.45 C ATOM 1282 C GLY A 83 -2.079 -11.766 -6.934 1.00 0.60 C ATOM 1283 O GLY A 83 -1.128 -12.303 -7.467 1.00 0.94 O ATOM 0 H GLY A 83 -4.195 -10.933 -5.009 1.00 0.26 H new ATOM 0 HA2 GLY A 83 -1.912 -11.498 -4.796 1.00 0.45 H new ATOM 0 HA3 GLY A 83 -2.239 -13.150 -5.282 1.00 0.45 H new ATOM 1287 N GLN A 84 -2.801 -10.870 -7.565 1.00 0.43 N ATOM 1288 CA GLN A 84 -2.474 -10.477 -8.973 1.00 0.59 C ATOM 1289 C GLN A 84 -2.505 -8.952 -9.094 1.00 0.52 C ATOM 1290 O GLN A 84 -3.491 -8.315 -8.782 1.00 0.55 O ATOM 1291 CB GLN A 84 -3.513 -11.078 -9.926 1.00 0.71 C ATOM 1292 CG GLN A 84 -3.274 -12.583 -10.080 1.00 0.79 C ATOM 1293 CD GLN A 84 -3.672 -13.300 -8.790 1.00 1.00 C ATOM 1294 OE1 GLN A 84 -4.901 -13.208 -8.361 1.00 1.30 O flip ATOM 1295 NE2 GLN A 84 -2.857 -13.950 -8.165 1.00 1.91 N flip ATOM 0 H GLN A 84 -3.607 -10.392 -7.163 1.00 0.43 H new ATOM 0 HA GLN A 84 -1.482 -10.847 -9.232 1.00 0.59 H new ATOM 0 HB2 GLN A 84 -4.517 -10.898 -9.542 1.00 0.71 H new ATOM 0 HB3 GLN A 84 -3.451 -10.590 -10.899 1.00 0.71 H new ATOM 0 HG2 GLN A 84 -3.855 -12.970 -10.917 1.00 0.79 H new ATOM 0 HG3 GLN A 84 -2.225 -12.774 -10.305 1.00 0.79 H new ATOM 0 HE21 GLN A 84 -1.896 -14.022 -8.500 1.00 1.91 H new ATOM 0 HE22 GLN A 84 -3.134 -14.424 -7.305 1.00 1.91 H new ATOM 1304 N LYS A 85 -1.434 -8.362 -9.551 1.00 0.43 N ATOM 1305 CA LYS A 85 -1.406 -6.879 -9.698 1.00 0.36 C ATOM 1306 C LYS A 85 -2.408 -6.464 -10.779 1.00 0.36 C ATOM 1307 O LYS A 85 -2.368 -6.954 -11.890 1.00 0.45 O ATOM 1308 CB LYS A 85 0.006 -6.438 -10.103 1.00 0.36 C ATOM 1309 CG LYS A 85 0.185 -4.943 -9.818 1.00 0.38 C ATOM 1310 CD LYS A 85 1.418 -4.419 -10.561 1.00 0.55 C ATOM 1311 CE LYS A 85 2.632 -5.293 -10.228 1.00 0.70 C ATOM 1312 NZ LYS A 85 3.881 -4.579 -10.619 1.00 1.97 N ATOM 0 H LYS A 85 -0.578 -8.842 -9.829 1.00 0.43 H new ATOM 0 HA LYS A 85 -1.674 -6.406 -8.753 1.00 0.36 H new ATOM 0 HB2 LYS A 85 0.749 -7.014 -9.551 1.00 0.36 H new ATOM 0 HB3 LYS A 85 0.170 -6.638 -11.162 1.00 0.36 H new ATOM 0 HG2 LYS A 85 -0.702 -4.394 -10.134 1.00 0.38 H new ATOM 0 HG3 LYS A 85 0.297 -4.778 -8.746 1.00 0.38 H new ATOM 0 HD2 LYS A 85 1.237 -4.426 -11.636 1.00 0.55 H new ATOM 0 HD3 LYS A 85 1.613 -3.385 -10.277 1.00 0.55 H new ATOM 0 HE2 LYS A 85 2.649 -5.520 -9.162 1.00 0.70 H new ATOM 0 HE3 LYS A 85 2.564 -6.245 -10.755 1.00 0.70 H new ATOM 0 HZ1 LYS A 85 4.705 -5.172 -10.393 1.00 1.97 H new ATOM 0 HZ2 LYS A 85 3.864 -4.384 -11.640 1.00 1.97 H new ATOM 0 HZ3 LYS A 85 3.946 -3.682 -10.097 1.00 1.97 H new ATOM 1326 N VAL A 86 -3.315 -5.572 -10.455 1.00 0.35 N ATOM 1327 CA VAL A 86 -4.341 -5.121 -11.452 1.00 0.36 C ATOM 1328 C VAL A 86 -4.223 -3.610 -11.677 1.00 0.33 C ATOM 1329 O VAL A 86 -4.718 -3.083 -12.653 1.00 0.49 O ATOM 1330 CB VAL A 86 -5.734 -5.446 -10.912 1.00 0.36 C ATOM 1331 CG1 VAL A 86 -5.991 -6.950 -11.033 1.00 0.31 C ATOM 1332 CG2 VAL A 86 -5.816 -5.035 -9.440 1.00 0.42 C ATOM 0 H VAL A 86 -3.389 -5.134 -9.537 1.00 0.35 H new ATOM 0 HA VAL A 86 -4.178 -5.635 -12.399 1.00 0.36 H new ATOM 0 HB VAL A 86 -6.483 -4.901 -11.487 1.00 0.36 H new ATOM 0 HG11 VAL A 86 -6.984 -7.182 -10.648 1.00 0.31 H new ATOM 0 HG12 VAL A 86 -5.930 -7.247 -12.080 1.00 0.31 H new ATOM 0 HG13 VAL A 86 -5.243 -7.494 -10.457 1.00 0.31 H new ATOM 0 HG21 VAL A 86 -6.808 -5.266 -9.053 1.00 0.42 H new ATOM 0 HG22 VAL A 86 -5.067 -5.582 -8.867 1.00 0.42 H new ATOM 0 HG23 VAL A 86 -5.631 -3.965 -9.350 1.00 0.42 H new ATOM 1342 N GLY A 87 -3.576 -2.907 -10.788 1.00 0.16 N ATOM 1343 CA GLY A 87 -3.440 -1.433 -10.970 1.00 0.09 C ATOM 1344 C GLY A 87 -2.314 -0.900 -10.083 1.00 0.14 C ATOM 1345 O GLY A 87 -1.946 -1.505 -9.098 1.00 0.26 O ATOM 0 H GLY A 87 -3.138 -3.286 -9.948 1.00 0.16 H new ATOM 0 HA2 GLY A 87 -3.230 -1.205 -12.015 1.00 0.09 H new ATOM 0 HA3 GLY A 87 -4.378 -0.939 -10.718 1.00 0.09 H new ATOM 1349 N GLU A 88 -1.762 0.233 -10.429 1.00 0.13 N ATOM 1350 CA GLU A 88 -0.662 0.809 -9.606 1.00 0.25 C ATOM 1351 C GLU A 88 -0.328 2.215 -10.112 1.00 0.24 C ATOM 1352 O GLU A 88 -0.589 2.553 -11.249 1.00 0.22 O ATOM 1353 CB GLU A 88 0.581 -0.084 -9.710 1.00 0.39 C ATOM 1354 CG GLU A 88 0.938 -0.325 -11.182 1.00 1.39 C ATOM 1355 CD GLU A 88 -0.053 -1.314 -11.798 1.00 2.24 C ATOM 1356 OE1 GLU A 88 -0.361 -2.298 -11.146 1.00 2.08 O ATOM 1357 OE2 GLU A 88 -0.487 -1.071 -12.913 1.00 3.38 O ATOM 0 H GLU A 88 -2.026 0.783 -11.246 1.00 0.13 H new ATOM 0 HA GLU A 88 -0.980 0.864 -8.565 1.00 0.25 H new ATOM 0 HB2 GLU A 88 1.420 0.387 -9.197 1.00 0.39 H new ATOM 0 HB3 GLU A 88 0.397 -1.036 -9.212 1.00 0.39 H new ATOM 0 HG2 GLU A 88 0.915 0.617 -11.731 1.00 1.39 H new ATOM 0 HG3 GLU A 88 1.953 -0.715 -11.261 1.00 1.39 H new ATOM 1364 N PHE A 89 0.254 3.037 -9.280 1.00 0.30 N ATOM 1365 CA PHE A 89 0.606 4.415 -9.729 1.00 0.30 C ATOM 1366 C PHE A 89 1.486 5.092 -8.669 1.00 0.32 C ATOM 1367 O PHE A 89 1.353 4.841 -7.489 1.00 0.33 O ATOM 1368 CB PHE A 89 -0.680 5.230 -9.960 1.00 0.29 C ATOM 1369 CG PHE A 89 -1.225 5.760 -8.649 1.00 0.30 C ATOM 1370 CD1 PHE A 89 -0.736 6.975 -8.130 1.00 0.31 C ATOM 1371 CD2 PHE A 89 -2.217 5.046 -7.950 1.00 0.29 C ATOM 1372 CE1 PHE A 89 -1.237 7.474 -6.914 1.00 0.32 C ATOM 1373 CE2 PHE A 89 -2.720 5.548 -6.732 1.00 0.30 C ATOM 1374 CZ PHE A 89 -2.228 6.762 -6.215 1.00 0.32 C ATOM 0 H PHE A 89 0.500 2.816 -8.315 1.00 0.30 H new ATOM 0 HA PHE A 89 1.160 4.363 -10.666 1.00 0.30 H new ATOM 0 HB2 PHE A 89 -0.473 6.060 -10.635 1.00 0.29 H new ATOM 0 HB3 PHE A 89 -1.430 4.605 -10.444 1.00 0.29 H new ATOM 0 HD1 PHE A 89 0.024 7.524 -8.666 1.00 0.31 H new ATOM 0 HD2 PHE A 89 -2.593 4.114 -8.347 1.00 0.29 H new ATOM 0 HE1 PHE A 89 -0.860 8.405 -6.517 1.00 0.32 H new ATOM 0 HE2 PHE A 89 -3.482 5.002 -6.196 1.00 0.30 H new ATOM 0 HZ PHE A 89 -2.612 7.146 -5.282 1.00 0.32 H new ATOM 1384 N SER A 90 2.383 5.953 -9.090 1.00 0.33 N ATOM 1385 CA SER A 90 3.284 6.664 -8.125 1.00 0.34 C ATOM 1386 C SER A 90 2.996 8.166 -8.177 1.00 0.33 C ATOM 1387 O SER A 90 2.786 8.731 -9.231 1.00 0.33 O ATOM 1388 CB SER A 90 4.740 6.416 -8.519 1.00 0.35 C ATOM 1389 OG SER A 90 4.996 7.025 -9.778 1.00 0.42 O ATOM 0 H SER A 90 2.531 6.196 -10.070 1.00 0.33 H new ATOM 0 HA SER A 90 3.108 6.292 -7.116 1.00 0.34 H new ATOM 0 HB2 SER A 90 5.409 6.825 -7.762 1.00 0.35 H new ATOM 0 HB3 SER A 90 4.937 5.345 -8.573 1.00 0.35 H new ATOM 0 HG SER A 90 5.929 6.869 -10.033 1.00 0.42 H new ATOM 1395 N GLY A 91 2.982 8.819 -7.044 1.00 0.31 N ATOM 1396 CA GLY A 91 2.708 10.285 -7.031 1.00 0.30 C ATOM 1397 C GLY A 91 2.179 10.697 -5.656 1.00 0.29 C ATOM 1398 O GLY A 91 1.420 9.982 -5.033 1.00 0.37 O ATOM 0 H GLY A 91 3.148 8.400 -6.129 1.00 0.31 H new ATOM 0 HA2 GLY A 91 3.619 10.837 -7.262 1.00 0.30 H new ATOM 0 HA3 GLY A 91 1.979 10.536 -7.802 1.00 0.30 H new ATOM 1402 N ALA A 92 2.575 11.846 -5.178 1.00 0.31 N ATOM 1403 CA ALA A 92 2.095 12.304 -3.843 1.00 0.33 C ATOM 1404 C ALA A 92 0.687 12.892 -3.977 1.00 0.28 C ATOM 1405 O ALA A 92 0.370 13.902 -3.382 1.00 0.65 O ATOM 1406 CB ALA A 92 3.043 13.375 -3.301 1.00 0.50 C ATOM 0 H ALA A 92 3.210 12.487 -5.654 1.00 0.31 H new ATOM 0 HA ALA A 92 2.070 11.457 -3.158 1.00 0.33 H new ATOM 0 HB1 ALA A 92 2.693 13.711 -2.325 1.00 0.50 H new ATOM 0 HB2 ALA A 92 4.045 12.958 -3.203 1.00 0.50 H new ATOM 0 HB3 ALA A 92 3.067 14.221 -3.988 1.00 0.50 H new ATOM 1412 N ASN A 93 -0.160 12.264 -4.754 1.00 0.11 N ATOM 1413 CA ASN A 93 -1.555 12.779 -4.932 1.00 0.15 C ATOM 1414 C ASN A 93 -2.509 11.964 -4.056 1.00 0.32 C ATOM 1415 O ASN A 93 -3.202 11.085 -4.527 1.00 0.32 O ATOM 1416 CB ASN A 93 -1.962 12.638 -6.403 1.00 0.19 C ATOM 1417 CG ASN A 93 -3.197 13.498 -6.679 1.00 0.15 C ATOM 1418 OD1 ASN A 93 -4.114 13.538 -5.883 1.00 0.34 O ATOM 1419 ND2 ASN A 93 -3.259 14.194 -7.781 1.00 0.46 N ATOM 0 H ASN A 93 0.054 11.414 -5.275 1.00 0.11 H new ATOM 0 HA ASN A 93 -1.601 13.828 -4.641 1.00 0.15 H new ATOM 0 HB2 ASN A 93 -1.140 12.946 -7.049 1.00 0.19 H new ATOM 0 HB3 ASN A 93 -2.175 11.594 -6.633 1.00 0.19 H new ATOM 0 HD21 ASN A 93 -4.077 14.772 -7.974 1.00 0.46 H new ATOM 0 HD22 ASN A 93 -2.489 14.161 -8.449 1.00 0.46 H new ATOM 1426 N LYS A 94 -2.544 12.248 -2.783 1.00 0.53 N ATOM 1427 CA LYS A 94 -3.447 11.489 -1.871 1.00 0.73 C ATOM 1428 C LYS A 94 -4.897 11.630 -2.339 1.00 0.74 C ATOM 1429 O LYS A 94 -5.719 10.765 -2.110 1.00 0.73 O ATOM 1430 CB LYS A 94 -3.313 12.041 -0.449 1.00 1.06 C ATOM 1431 CG LYS A 94 -3.326 13.570 -0.490 1.00 0.16 C ATOM 1432 CD LYS A 94 -3.392 14.121 0.936 1.00 0.95 C ATOM 1433 CE LYS A 94 -3.065 15.616 0.923 1.00 0.64 C ATOM 1434 NZ LYS A 94 -1.713 15.824 0.333 1.00 1.63 N ATOM 0 H LYS A 94 -1.986 12.974 -2.334 1.00 0.53 H new ATOM 0 HA LYS A 94 -3.168 10.435 -1.883 1.00 0.73 H new ATOM 0 HB2 LYS A 94 -4.131 11.677 0.172 1.00 1.06 H new ATOM 0 HB3 LYS A 94 -2.387 11.687 0.004 1.00 1.06 H new ATOM 0 HG2 LYS A 94 -2.431 13.938 -0.992 1.00 0.16 H new ATOM 0 HG3 LYS A 94 -4.182 13.921 -1.066 1.00 0.16 H new ATOM 0 HD2 LYS A 94 -4.386 13.959 1.354 1.00 0.95 H new ATOM 0 HD3 LYS A 94 -2.687 13.590 1.575 1.00 0.95 H new ATOM 0 HE2 LYS A 94 -3.813 16.158 0.344 1.00 0.64 H new ATOM 0 HE3 LYS A 94 -3.096 16.015 1.937 1.00 0.64 H new ATOM 0 HZ1 LYS A 94 -1.291 16.689 0.727 1.00 1.63 H new ATOM 0 HZ2 LYS A 94 -1.107 15.010 0.558 1.00 1.63 H new ATOM 0 HZ3 LYS A 94 -1.796 15.919 -0.699 1.00 1.63 H new ATOM 1448 N GLU A 95 -5.221 12.714 -2.989 1.00 0.82 N ATOM 1449 CA GLU A 95 -6.622 12.907 -3.464 1.00 0.94 C ATOM 1450 C GLU A 95 -6.933 11.896 -4.570 1.00 0.78 C ATOM 1451 O GLU A 95 -8.053 11.449 -4.720 1.00 0.90 O ATOM 1452 CB GLU A 95 -6.785 14.326 -4.012 1.00 1.12 C ATOM 1453 CG GLU A 95 -6.634 15.335 -2.871 1.00 0.93 C ATOM 1454 CD GLU A 95 -7.827 15.214 -1.920 1.00 1.31 C ATOM 1455 OE1 GLU A 95 -8.946 15.194 -2.405 1.00 2.32 O ATOM 1456 OE2 GLU A 95 -7.599 15.143 -0.724 1.00 2.32 O ATOM 0 H GLU A 95 -4.578 13.474 -3.212 1.00 0.82 H new ATOM 0 HA GLU A 95 -7.309 12.757 -2.631 1.00 0.94 H new ATOM 0 HB2 GLU A 95 -6.038 14.518 -4.782 1.00 1.12 H new ATOM 0 HB3 GLU A 95 -7.763 14.436 -4.482 1.00 1.12 H new ATOM 0 HG2 GLU A 95 -5.705 15.153 -2.331 1.00 0.93 H new ATOM 0 HG3 GLU A 95 -6.576 16.347 -3.272 1.00 0.93 H new ATOM 1463 N LYS A 96 -5.951 11.534 -5.350 1.00 0.54 N ATOM 1464 CA LYS A 96 -6.193 10.557 -6.448 1.00 0.47 C ATOM 1465 C LYS A 96 -6.628 9.213 -5.857 1.00 0.34 C ATOM 1466 O LYS A 96 -7.396 8.483 -6.452 1.00 0.22 O ATOM 1467 CB LYS A 96 -4.903 10.367 -7.253 1.00 0.45 C ATOM 1468 CG LYS A 96 -5.226 9.711 -8.597 1.00 0.62 C ATOM 1469 CD LYS A 96 -3.936 9.510 -9.392 1.00 1.05 C ATOM 1470 CE LYS A 96 -4.265 8.895 -10.754 1.00 0.34 C ATOM 1471 NZ LYS A 96 -5.205 9.789 -11.488 1.00 1.13 N ATOM 0 H LYS A 96 -4.992 11.873 -5.274 1.00 0.54 H new ATOM 0 HA LYS A 96 -6.980 10.935 -7.101 1.00 0.47 H new ATOM 0 HB2 LYS A 96 -4.419 11.330 -7.414 1.00 0.45 H new ATOM 0 HB3 LYS A 96 -4.202 9.747 -6.694 1.00 0.45 H new ATOM 0 HG2 LYS A 96 -5.719 8.752 -8.436 1.00 0.62 H new ATOM 0 HG3 LYS A 96 -5.919 10.335 -9.161 1.00 0.62 H new ATOM 0 HD2 LYS A 96 -3.427 10.464 -9.526 1.00 1.05 H new ATOM 0 HD3 LYS A 96 -3.255 8.860 -8.842 1.00 1.05 H new ATOM 0 HE2 LYS A 96 -3.352 8.756 -11.333 1.00 0.34 H new ATOM 0 HE3 LYS A 96 -4.712 7.910 -10.622 1.00 0.34 H new ATOM 0 HZ1 LYS A 96 -5.132 9.607 -12.509 1.00 1.13 H new ATOM 0 HZ2 LYS A 96 -6.178 9.604 -11.172 1.00 1.13 H new ATOM 0 HZ3 LYS A 96 -4.962 10.782 -11.295 1.00 1.13 H new ATOM 1485 N LEU A 97 -6.143 8.877 -4.693 1.00 0.40 N ATOM 1486 CA LEU A 97 -6.529 7.577 -4.073 1.00 0.33 C ATOM 1487 C LEU A 97 -8.053 7.446 -4.065 1.00 0.35 C ATOM 1488 O LEU A 97 -8.590 6.367 -4.208 1.00 0.44 O ATOM 1489 CB LEU A 97 -6.011 7.517 -2.632 1.00 0.41 C ATOM 1490 CG LEU A 97 -4.480 7.363 -2.619 1.00 0.52 C ATOM 1491 CD1 LEU A 97 -3.953 7.678 -1.215 1.00 0.58 C ATOM 1492 CD2 LEU A 97 -4.078 5.925 -3.000 1.00 0.60 C ATOM 0 H LEU A 97 -5.497 9.445 -4.145 1.00 0.40 H new ATOM 0 HA LEU A 97 -6.093 6.762 -4.651 1.00 0.33 H new ATOM 0 HB2 LEU A 97 -6.296 8.423 -2.098 1.00 0.41 H new ATOM 0 HB3 LEU A 97 -6.472 6.680 -2.108 1.00 0.41 H new ATOM 0 HG LEU A 97 -4.051 8.053 -3.345 1.00 0.52 H new ATOM 0 HD11 LEU A 97 -2.868 7.570 -1.201 1.00 0.58 H new ATOM 0 HD12 LEU A 97 -4.220 8.700 -0.947 1.00 0.58 H new ATOM 0 HD13 LEU A 97 -4.396 6.988 -0.497 1.00 0.58 H new ATOM 0 HD21 LEU A 97 -2.992 5.835 -2.986 1.00 0.60 H new ATOM 0 HD22 LEU A 97 -4.510 5.225 -2.285 1.00 0.60 H new ATOM 0 HD23 LEU A 97 -4.448 5.697 -4.000 1.00 0.60 H new ATOM 1504 N GLU A 98 -8.755 8.531 -3.900 1.00 0.42 N ATOM 1505 CA GLU A 98 -10.241 8.451 -3.885 1.00 0.50 C ATOM 1506 C GLU A 98 -10.733 7.932 -5.236 1.00 0.46 C ATOM 1507 O GLU A 98 -11.301 6.863 -5.334 1.00 0.55 O ATOM 1508 CB GLU A 98 -10.827 9.842 -3.629 1.00 0.59 C ATOM 1509 CG GLU A 98 -12.343 9.734 -3.457 1.00 0.56 C ATOM 1510 CD GLU A 98 -12.911 11.096 -3.056 1.00 1.06 C ATOM 1511 OE1 GLU A 98 -12.213 11.832 -2.378 1.00 1.04 O ATOM 1512 OE2 GLU A 98 -14.036 11.381 -3.433 1.00 2.15 O ATOM 0 H GLU A 98 -8.366 9.466 -3.775 1.00 0.42 H new ATOM 0 HA GLU A 98 -10.561 7.773 -3.094 1.00 0.50 H new ATOM 0 HB2 GLU A 98 -10.379 10.278 -2.736 1.00 0.59 H new ATOM 0 HB3 GLU A 98 -10.591 10.506 -4.461 1.00 0.59 H new ATOM 0 HG2 GLU A 98 -12.802 9.397 -4.386 1.00 0.56 H new ATOM 0 HG3 GLU A 98 -12.581 8.991 -2.696 1.00 0.56 H new ATOM 1519 N ALA A 99 -10.519 8.685 -6.278 1.00 0.44 N ATOM 1520 CA ALA A 99 -10.971 8.245 -7.627 1.00 0.40 C ATOM 1521 C ALA A 99 -10.320 6.907 -7.986 1.00 0.34 C ATOM 1522 O ALA A 99 -10.870 6.121 -8.732 1.00 0.31 O ATOM 1523 CB ALA A 99 -10.576 9.298 -8.665 1.00 0.35 C ATOM 0 H ALA A 99 -10.049 9.590 -6.253 1.00 0.44 H new ATOM 0 HA ALA A 99 -12.054 8.125 -7.619 1.00 0.40 H new ATOM 0 HB1 ALA A 99 -10.906 8.977 -9.653 1.00 0.35 H new ATOM 0 HB2 ALA A 99 -11.047 10.249 -8.416 1.00 0.35 H new ATOM 0 HB3 ALA A 99 -9.493 9.419 -8.666 1.00 0.35 H new ATOM 1529 N THR A 100 -9.151 6.642 -7.470 1.00 0.35 N ATOM 1530 CA THR A 100 -8.471 5.356 -7.796 1.00 0.27 C ATOM 1531 C THR A 100 -9.197 4.198 -7.108 1.00 0.31 C ATOM 1532 O THR A 100 -9.458 3.174 -7.707 1.00 0.30 O ATOM 1533 CB THR A 100 -7.017 5.407 -7.315 1.00 0.19 C ATOM 1534 OG1 THR A 100 -6.455 6.668 -7.649 1.00 0.16 O ATOM 1535 CG2 THR A 100 -6.213 4.294 -7.990 1.00 0.11 C ATOM 0 H THR A 100 -8.639 7.258 -6.839 1.00 0.35 H new ATOM 0 HA THR A 100 -8.491 5.203 -8.875 1.00 0.27 H new ATOM 0 HB THR A 100 -6.987 5.268 -6.234 1.00 0.19 H new ATOM 0 HG1 THR A 100 -7.009 7.383 -7.272 1.00 0.16 H new ATOM 0 HG21 THR A 100 -5.179 4.332 -7.646 1.00 0.11 H new ATOM 0 HG22 THR A 100 -6.645 3.327 -7.734 1.00 0.11 H new ATOM 0 HG23 THR A 100 -6.241 4.429 -9.071 1.00 0.11 H new ATOM 1543 N ILE A 101 -9.522 4.349 -5.853 1.00 0.38 N ATOM 1544 CA ILE A 101 -10.229 3.253 -5.133 1.00 0.43 C ATOM 1545 C ILE A 101 -11.549 2.949 -5.847 1.00 0.45 C ATOM 1546 O ILE A 101 -11.980 1.815 -5.912 1.00 0.41 O ATOM 1547 CB ILE A 101 -10.496 3.683 -3.683 1.00 0.47 C ATOM 1548 CG1 ILE A 101 -9.160 3.726 -2.914 1.00 0.45 C ATOM 1549 CG2 ILE A 101 -11.447 2.679 -3.016 1.00 0.48 C ATOM 1550 CD1 ILE A 101 -9.281 4.607 -1.661 1.00 1.51 C ATOM 0 H ILE A 101 -9.329 5.182 -5.297 1.00 0.38 H new ATOM 0 HA ILE A 101 -9.612 2.355 -5.127 1.00 0.43 H new ATOM 0 HB ILE A 101 -10.955 4.672 -3.671 1.00 0.47 H new ATOM 0 HG12 ILE A 101 -8.867 2.716 -2.627 1.00 0.45 H new ATOM 0 HG13 ILE A 101 -8.374 4.114 -3.562 1.00 0.45 H new ATOM 0 HG21 ILE A 101 -11.636 2.985 -1.987 1.00 0.48 H new ATOM 0 HG22 ILE A 101 -12.388 2.650 -3.565 1.00 0.48 H new ATOM 0 HG23 ILE A 101 -10.993 1.688 -3.022 1.00 0.48 H new ATOM 0 HD11 ILE A 101 -8.327 4.623 -1.134 1.00 1.51 H new ATOM 0 HD12 ILE A 101 -9.551 5.622 -1.954 1.00 1.51 H new ATOM 0 HD13 ILE A 101 -10.051 4.202 -1.005 1.00 1.51 H new ATOM 1562 N ASN A 102 -12.192 3.947 -6.389 1.00 0.54 N ATOM 1563 CA ASN A 102 -13.476 3.698 -7.101 1.00 0.60 C ATOM 1564 C ASN A 102 -13.168 3.099 -8.472 1.00 0.56 C ATOM 1565 O ASN A 102 -14.052 2.813 -9.256 1.00 0.60 O ATOM 1566 CB ASN A 102 -14.230 5.018 -7.274 1.00 0.68 C ATOM 1567 CG ASN A 102 -15.607 4.745 -7.881 1.00 0.73 C ATOM 1568 OD1 ASN A 102 -15.728 4.648 -9.177 1.00 0.69 O flip ATOM 1569 ND2 ASN A 102 -16.584 4.619 -7.170 1.00 2.09 N flip ATOM 0 H ASN A 102 -11.885 4.920 -6.370 1.00 0.54 H new ATOM 0 HA ASN A 102 -14.093 3.008 -6.525 1.00 0.60 H new ATOM 0 HB2 ASN A 102 -14.338 5.516 -6.310 1.00 0.68 H new ATOM 0 HB3 ASN A 102 -13.664 5.690 -7.919 1.00 0.68 H new ATOM 0 HD21 ASN A 102 -16.491 4.695 -6.157 1.00 2.09 H new ATOM 0 HD22 ASN A 102 -17.497 4.438 -7.586 1.00 2.09 H new ATOM 1576 N GLU A 103 -11.911 2.912 -8.762 1.00 0.48 N ATOM 1577 CA GLU A 103 -11.516 2.334 -10.074 1.00 0.46 C ATOM 1578 C GLU A 103 -11.716 0.816 -10.053 1.00 0.44 C ATOM 1579 O GLU A 103 -12.397 0.256 -10.888 1.00 0.49 O ATOM 1580 CB GLU A 103 -10.040 2.656 -10.338 1.00 0.42 C ATOM 1581 CG GLU A 103 -9.735 2.507 -11.830 1.00 0.56 C ATOM 1582 CD GLU A 103 -10.359 3.675 -12.598 1.00 1.75 C ATOM 1583 OE1 GLU A 103 -10.152 4.805 -12.188 1.00 2.68 O ATOM 1584 OE2 GLU A 103 -11.032 3.419 -13.583 1.00 2.12 O ATOM 0 H GLU A 103 -11.135 3.137 -8.140 1.00 0.48 H new ATOM 0 HA GLU A 103 -12.134 2.762 -10.863 1.00 0.46 H new ATOM 0 HB2 GLU A 103 -9.816 3.672 -10.011 1.00 0.42 H new ATOM 0 HB3 GLU A 103 -9.403 1.987 -9.759 1.00 0.42 H new ATOM 0 HG2 GLU A 103 -8.657 2.486 -11.991 1.00 0.56 H new ATOM 0 HG3 GLU A 103 -10.131 1.561 -12.200 1.00 0.56 H new ATOM 1591 N LEU A 104 -11.108 0.151 -9.105 1.00 0.43 N ATOM 1592 CA LEU A 104 -11.230 -1.338 -9.010 1.00 0.47 C ATOM 1593 C LEU A 104 -12.187 -1.712 -7.876 1.00 0.68 C ATOM 1594 O LEU A 104 -12.188 -2.829 -7.398 1.00 0.84 O ATOM 1595 CB LEU A 104 -9.849 -1.939 -8.722 1.00 0.46 C ATOM 1596 CG LEU A 104 -8.856 -1.536 -9.827 1.00 0.33 C ATOM 1597 CD1 LEU A 104 -7.423 -1.708 -9.314 1.00 0.47 C ATOM 1598 CD2 LEU A 104 -9.054 -2.421 -11.066 1.00 0.21 C ATOM 0 H LEU A 104 -10.526 0.579 -8.385 1.00 0.43 H new ATOM 0 HA LEU A 104 -11.618 -1.728 -9.951 1.00 0.47 H new ATOM 0 HB2 LEU A 104 -9.488 -1.593 -7.754 1.00 0.46 H new ATOM 0 HB3 LEU A 104 -9.921 -3.025 -8.665 1.00 0.46 H new ATOM 0 HG LEU A 104 -9.033 -0.495 -10.096 1.00 0.33 H new ATOM 0 HD11 LEU A 104 -6.720 -1.423 -10.096 1.00 0.47 H new ATOM 0 HD12 LEU A 104 -7.271 -1.074 -8.440 1.00 0.47 H new ATOM 0 HD13 LEU A 104 -7.257 -2.750 -9.040 1.00 0.47 H new ATOM 0 HD21 LEU A 104 -8.346 -2.126 -11.841 1.00 0.21 H new ATOM 0 HD22 LEU A 104 -8.886 -3.464 -10.799 1.00 0.21 H new ATOM 0 HD23 LEU A 104 -10.071 -2.302 -11.440 1.00 0.21 H new ATOM 1610 N VAL A 105 -13.002 -0.792 -7.441 1.00 0.69 N ATOM 1611 CA VAL A 105 -13.955 -1.110 -6.340 1.00 0.91 C ATOM 1612 C VAL A 105 -14.904 -2.219 -6.799 1.00 1.11 C ATOM 1613 O VAL A 105 -15.332 -2.992 -5.958 1.00 2.28 O ATOM 1614 CB VAL A 105 -14.760 0.143 -5.988 1.00 0.84 C ATOM 1615 CG1 VAL A 105 -15.385 0.716 -7.261 1.00 0.81 C ATOM 1616 CG2 VAL A 105 -15.867 -0.219 -4.994 1.00 0.82 C ATOM 1617 OXT VAL A 105 -15.189 -2.276 -7.984 1.00 0.72 O ATOM 0 H VAL A 105 -13.050 0.162 -7.798 1.00 0.69 H new ATOM 0 HA VAL A 105 -13.404 -1.444 -5.461 1.00 0.91 H new ATOM 0 HB VAL A 105 -14.100 0.885 -5.538 1.00 0.84 H new ATOM 0 HG11 VAL A 105 -15.959 1.609 -7.014 1.00 0.81 H new ATOM 0 HG12 VAL A 105 -14.597 0.975 -7.968 1.00 0.81 H new ATOM 0 HG13 VAL A 105 -16.044 -0.027 -7.709 1.00 0.81 H new ATOM 0 HG21 VAL A 105 -16.439 0.675 -4.745 1.00 0.82 H new ATOM 0 HG22 VAL A 105 -16.529 -0.961 -5.441 1.00 0.82 H new ATOM 0 HG23 VAL A 105 -15.422 -0.629 -4.088 1.00 0.82 H new TER 1627 VAL A 105 HETATM 1628 O HOH A 201 -6.322 -11.697 -2.393 1.00 0.00 O HETATM 1631 O HOH A 202 7.815 -1.796 6.383 1.00 0.00 O HETATM 1634 O HOH A 203 11.600 3.363 3.864 1.00 0.00 O HETATM 1637 O HOH A 204 -7.991 -10.766 -0.687 1.00 0.00 O HETATM 1640 O HOH A 205 -5.757 -14.746 -0.338 1.00 0.00 O HETATM 1643 O HOH A 206 -11.212 -5.329 -0.584 1.00 0.00 O