USER MOD reduce.3.24.130724 H: found=0, std=0, add=1359, rem=0, adj=37 USER MOD reduce.3.24.130724 removed 1359 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 79 SER OG : rot 33:sc= 0.517 USER MOD Set 1.2: A 105 SER OG : rot 142:sc= 1.29 USER MOD Set 2.1: A 62 TYR OH : rot 180:sc= 0.00243 USER MOD Set 2.2: A 74 GLN : amide:sc= 0.667 X(o=0.63,f=0.72) USER MOD Set 2.3: A 100 SER OG : rot -174:sc= -0.037 USER MOD Set 3.1: A 47 CYS SG : rot -150:sc= -0.267 USER MOD Set 3.2: A 137 HIS : +bothHN:sc= -0.25 K(o=-0.52,f=-5.8!) USER MOD Single : A 1 GLY N :NH3+ 130:sc= 1.05 (180deg=-1.18) USER MOD Single : A 3 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 4 HIS : no HD1:sc= 0 X(o=0,f=-0.0019) USER MOD Single : A 5 THR OG1 : rot 60:sc= 1.19 USER MOD Single : A 7 TYR OH : rot 166:sc= 0 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 15 LYS NZ :NH3+ -156:sc= 1.32 (180deg=1.12) USER MOD Single : A 25 GLN : amide:sc=-0.00692 X(o=-0.0069,f=0) USER MOD Single : A 31 SER OG : rot 28:sc= 0.755 USER MOD Single : A 32 GLN : amide:sc= -0.0225 K(o=-0.023,f=-2.2!) USER MOD Single : A 34 GLN : amide:sc= 0.962 K(o=0.96,f=0) USER MOD Single : A 36 LYS NZ :NH3+ -174:sc= 0.843 (180deg=0.781) USER MOD Single : A 45 THR OG1 : rot -112:sc= 1.22 USER MOD Single : A 51 CYS SG : rot 174:sc= 0 USER MOD Single : A 53 THR OG1 : rot 136:sc= 1.25 USER MOD Single : A 54 THR OG1 : rot 47:sc= 1.31 USER MOD Single : A 59 LYS NZ :NH3+ 138:sc= -0.402 (180deg=-2.18!) USER MOD Single : A 64 LYS NZ :NH3+ -118:sc= 0.684 (180deg=-1.7!) USER MOD Single : A 68 LYS NZ :NH3+ 152:sc= 1.26 (180deg=1.14) USER MOD Single : A 70 GLN : amide:sc= 0.497 K(o=0.5,f=-2.7!) USER MOD Single : A 93 TYR OH : rot 180:sc= 0 USER MOD Single : A 95 LYS NZ :NH3+ -169:sc= 1.06 (180deg=0.799) USER MOD Single : A 98 HIS : no HD1:sc= -0.213 X(o=-0.21,f=-0.0081) USER MOD Single : A 107 SER OG : rot 76:sc= 1.32 USER MOD Single : A 116 GLN : amide:sc= 0.756 K(o=0.76,f=-7.6!) USER MOD Single : A 117 THR OG1 : rot 83:sc= 0.0262 USER MOD Single : A 122 TYR OH : rot 180:sc= 0 USER MOD Single : A 123 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 124 LYS NZ :NH3+ 165:sc= 1.19 (180deg=0.453) USER MOD Single : A 125 SER OG : rot 180:sc= 0 USER MOD Single : A 126 GLN : amide:sc= -0.403 K(o=-0.4,f=-4!) USER MOD Single : A 127 TYR OH : rot 180:sc= 0 USER MOD Single : A 133 TYR OH : rot -152:sc= 1.26 USER MOD Single : A 138 THR OG1 : rot 84:sc= 1 USER MOD Single : A 140 THR OG1 : rot 180:sc= 0 USER MOD Single : A 141 THR OG1 : rot 71:sc= 0.314 USER MOD Single : A 145 LYS NZ :NH3+ -174:sc= 2.07 (180deg=1.98) USER MOD Single : A 153 TYR OH : rot 32:sc= 1.26 USER MOD Single : A 154 SER OG : rot 161:sc= 0.126 USER MOD Single : A 157 LYS NZ :NH3+ -166:sc= 0.237 (180deg=-0.366) USER MOD Single : A 161 THR OG1 : rot 180:sc= 0 USER MOD Single : A 169 GLN : amide:sc= -0.012 K(o=-0.012,f=-1) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 10.750 16.421 4.543 1.00 12.81 N ATOM 2 CA GLY A 1 11.504 17.502 3.878 1.00 12.41 C ATOM 3 C GLY A 1 12.039 17.023 2.540 1.00 12.45 C ATOM 4 O GLY A 1 11.252 16.684 1.669 1.00 13.52 O ATOM 0 H1 GLY A 1 11.085 16.316 5.522 1.00 12.81 H new ATOM 0 H2 GLY A 1 9.737 16.656 4.547 1.00 12.81 H new ATOM 0 H3 GLY A 1 10.896 15.529 4.029 1.00 12.81 H new ATOM 0 HA2 GLY A 1 10.859 18.368 3.731 1.00 12.41 H new ATOM 0 HA3 GLY A 1 12.329 17.824 4.513 1.00 12.41 H new ATOM 10 N ALA A 2 13.371 16.932 2.392 1.00 11.50 N ATOM 11 CA ALA A 2 14.018 16.275 1.241 1.00 11.52 C ATOM 12 C ALA A 2 15.310 15.483 1.574 1.00 10.04 C ATOM 13 O ALA A 2 16.003 15.023 0.663 1.00 10.42 O ATOM 14 CB ALA A 2 14.287 17.360 0.184 1.00 12.55 C ATOM 0 H ALA A 2 14.033 17.313 3.069 1.00 11.50 H new ATOM 0 HA ALA A 2 13.337 15.508 0.872 1.00 11.52 H new ATOM 0 HB1 ALA A 2 14.767 16.910 -0.685 1.00 12.55 H new ATOM 0 HB2 ALA A 2 13.344 17.816 -0.117 1.00 12.55 H new ATOM 0 HB3 ALA A 2 14.941 18.124 0.605 1.00 12.55 H new ATOM 20 N MET A 3 15.671 15.342 2.858 1.00 8.54 N ATOM 21 CA MET A 3 17.009 14.933 3.338 1.00 7.09 C ATOM 22 C MET A 3 16.914 14.050 4.592 1.00 5.58 C ATOM 23 O MET A 3 15.914 14.125 5.292 1.00 5.87 O ATOM 24 CB MET A 3 17.829 16.184 3.695 1.00 7.78 C ATOM 25 CG MET A 3 18.128 17.105 2.508 1.00 9.17 C ATOM 26 SD MET A 3 19.010 18.594 3.029 1.00 9.95 S ATOM 27 CE MET A 3 19.204 19.414 1.428 1.00 11.64 C ATOM 0 H MET A 3 15.019 15.515 3.623 1.00 8.54 H new ATOM 0 HA MET A 3 17.487 14.365 2.540 1.00 7.09 H new ATOM 0 HB2 MET A 3 17.290 16.752 4.453 1.00 7.78 H new ATOM 0 HB3 MET A 3 18.772 15.870 4.142 1.00 7.78 H new ATOM 0 HG2 MET A 3 18.724 16.567 1.770 1.00 9.17 H new ATOM 0 HG3 MET A 3 17.195 17.386 2.020 1.00 9.17 H new ATOM 0 HE1 MET A 3 19.733 20.357 1.564 1.00 11.64 H new ATOM 0 HE2 MET A 3 19.774 18.772 0.757 1.00 11.64 H new ATOM 0 HE3 MET A 3 18.222 19.608 0.997 1.00 11.64 H new ATOM 37 N HIS A 4 17.952 13.240 4.859 1.00 4.12 N ATOM 38 CA HIS A 4 18.133 12.256 5.964 1.00 3.10 C ATOM 39 C HIS A 4 17.685 10.831 5.556 1.00 2.75 C ATOM 40 O HIS A 4 18.227 9.852 6.056 1.00 3.27 O ATOM 41 CB HIS A 4 17.495 12.723 7.296 1.00 2.77 C ATOM 42 CG HIS A 4 18.298 12.411 8.539 1.00 4.02 C ATOM 43 ND1 HIS A 4 18.630 13.321 9.520 1.00 4.96 N ATOM 44 CD2 HIS A 4 18.823 11.207 8.930 1.00 5.34 C ATOM 45 CE1 HIS A 4 19.343 12.688 10.463 1.00 6.27 C ATOM 46 NE2 HIS A 4 19.491 11.396 10.146 1.00 6.60 N ATOM 0 H HIS A 4 18.772 13.251 4.252 1.00 4.12 H new ATOM 0 HA HIS A 4 19.205 12.202 6.153 1.00 3.10 H new ATOM 0 HB2 HIS A 4 17.336 13.800 7.246 1.00 2.77 H new ATOM 0 HB3 HIS A 4 16.513 12.260 7.392 1.00 2.77 H new ATOM 0 HD2 HIS A 4 18.736 10.274 8.393 1.00 5.34 H new ATOM 0 HE1 HIS A 4 19.741 13.154 11.352 1.00 6.27 H new ATOM 0 HE2 HIS A 4 19.992 10.689 10.684 1.00 6.60 H new ATOM 55 N THR A 5 16.757 10.756 4.589 1.00 3.36 N ATOM 56 CA THR A 5 16.243 9.577 3.866 1.00 3.77 C ATOM 57 C THR A 5 17.331 8.564 3.510 1.00 3.33 C ATOM 58 O THR A 5 18.431 8.936 3.099 1.00 4.58 O ATOM 59 CB THR A 5 15.433 10.029 2.638 1.00 6.39 C ATOM 60 OG1 THR A 5 15.109 8.947 1.809 1.00 7.63 O ATOM 61 CG2 THR A 5 16.131 11.085 1.778 1.00 7.47 C ATOM 0 H THR A 5 16.300 11.606 4.259 1.00 3.36 H new ATOM 0 HA THR A 5 15.577 9.040 4.541 1.00 3.77 H new ATOM 0 HB THR A 5 14.535 10.478 3.063 1.00 6.39 H new ATOM 0 HG1 THR A 5 14.573 8.299 2.312 1.00 7.63 H new ATOM 0 HG21 THR A 5 15.492 11.347 0.935 1.00 7.47 H new ATOM 0 HG22 THR A 5 16.323 11.974 2.378 1.00 7.47 H new ATOM 0 HG23 THR A 5 17.076 10.686 1.408 1.00 7.47 H new ATOM 69 N PHE A 6 17.003 7.285 3.711 1.00 2.23 N ATOM 70 CA PHE A 6 17.916 6.163 3.883 1.00 2.61 C ATOM 71 C PHE A 6 17.146 4.831 3.978 1.00 2.56 C ATOM 72 O PHE A 6 15.939 4.824 4.199 1.00 3.30 O ATOM 73 CB PHE A 6 18.748 6.388 5.160 1.00 3.83 C ATOM 74 CG PHE A 6 18.016 6.166 6.479 1.00 4.74 C ATOM 75 CD1 PHE A 6 16.957 7.009 6.866 1.00 5.06 C ATOM 76 CD2 PHE A 6 18.387 5.101 7.320 1.00 6.48 C ATOM 77 CE1 PHE A 6 16.258 6.776 8.059 1.00 6.79 C ATOM 78 CE2 PHE A 6 17.689 4.866 8.521 1.00 8.13 C ATOM 79 CZ PHE A 6 16.619 5.702 8.889 1.00 8.30 C ATOM 0 H PHE A 6 16.027 6.992 3.760 1.00 2.23 H new ATOM 0 HA PHE A 6 18.574 6.104 3.016 1.00 2.61 H new ATOM 0 HB2 PHE A 6 19.612 5.724 5.130 1.00 3.83 H new ATOM 0 HB3 PHE A 6 19.130 7.409 5.146 1.00 3.83 H new ATOM 0 HD1 PHE A 6 16.680 7.843 6.238 1.00 5.06 H new ATOM 0 HD2 PHE A 6 19.211 4.460 7.044 1.00 6.48 H new ATOM 0 HE1 PHE A 6 15.441 7.423 8.340 1.00 6.79 H new ATOM 0 HE2 PHE A 6 17.976 4.044 9.160 1.00 8.13 H new ATOM 0 HZ PHE A 6 16.078 5.519 9.805 1.00 8.30 H new ATOM 89 N TYR A 7 17.853 3.695 3.868 1.00 2.58 N ATOM 90 CA TYR A 7 17.393 2.324 4.191 1.00 1.99 C ATOM 91 C TYR A 7 16.363 1.716 3.207 1.00 1.81 C ATOM 92 O TYR A 7 16.482 0.538 2.865 1.00 1.93 O ATOM 93 CB TYR A 7 16.913 2.261 5.659 1.00 1.83 C ATOM 94 CG TYR A 7 16.369 0.921 6.110 1.00 1.53 C ATOM 95 CD1 TYR A 7 17.241 -0.086 6.570 1.00 2.78 C ATOM 96 CD2 TYR A 7 14.980 0.691 6.084 1.00 2.07 C ATOM 97 CE1 TYR A 7 16.728 -1.327 6.996 1.00 2.88 C ATOM 98 CE2 TYR A 7 14.462 -0.542 6.510 1.00 2.56 C ATOM 99 CZ TYR A 7 15.332 -1.558 6.963 1.00 2.29 C ATOM 100 OH TYR A 7 14.820 -2.758 7.345 1.00 3.01 O ATOM 0 H TYR A 7 18.816 3.703 3.533 1.00 2.58 H new ATOM 0 HA TYR A 7 18.263 1.680 4.065 1.00 1.99 H new ATOM 0 HB2 TYR A 7 17.746 2.532 6.307 1.00 1.83 H new ATOM 0 HB3 TYR A 7 16.139 3.015 5.803 1.00 1.83 H new ATOM 0 HD1 TYR A 7 18.306 0.094 6.596 1.00 2.78 H new ATOM 0 HD2 TYR A 7 14.312 1.465 5.736 1.00 2.07 H new ATOM 0 HE1 TYR A 7 17.397 -2.099 7.346 1.00 2.88 H new ATOM 0 HE2 TYR A 7 13.396 -0.714 6.491 1.00 2.56 H new ATOM 0 HH TYR A 7 13.852 -2.674 7.475 1.00 3.01 H new ATOM 110 N GLY A 8 15.374 2.488 2.746 1.00 1.56 N ATOM 111 CA GLY A 8 14.486 2.160 1.623 1.00 1.36 C ATOM 112 C GLY A 8 15.080 2.607 0.281 1.00 1.25 C ATOM 113 O GLY A 8 16.221 3.070 0.213 1.00 1.61 O ATOM 0 H GLY A 8 15.160 3.395 3.161 1.00 1.56 H new ATOM 0 HA2 GLY A 8 14.308 1.085 1.602 1.00 1.36 H new ATOM 0 HA3 GLY A 8 13.519 2.641 1.771 1.00 1.36 H new ATOM 117 N THR A 9 14.320 2.433 -0.807 1.00 0.94 N ATOM 118 CA THR A 9 14.786 2.705 -2.180 1.00 0.94 C ATOM 119 C THR A 9 14.233 4.040 -2.666 1.00 1.10 C ATOM 120 O THR A 9 13.109 4.114 -3.166 1.00 1.09 O ATOM 121 CB THR A 9 14.356 1.587 -3.132 1.00 1.05 C ATOM 122 OG1 THR A 9 14.537 0.325 -2.532 1.00 1.24 O ATOM 123 CG2 THR A 9 15.135 1.615 -4.447 1.00 1.18 C ATOM 0 H THR A 9 13.358 2.098 -0.763 1.00 0.94 H new ATOM 0 HA THR A 9 15.875 2.750 -2.168 1.00 0.94 H new ATOM 0 HB THR A 9 13.301 1.755 -3.348 1.00 1.05 H new ATOM 0 HG1 THR A 9 14.255 -0.377 -3.155 1.00 1.24 H new ATOM 0 HG21 THR A 9 14.794 0.803 -5.089 1.00 1.18 H new ATOM 0 HG22 THR A 9 14.968 2.568 -4.948 1.00 1.18 H new ATOM 0 HG23 THR A 9 16.199 1.494 -4.242 1.00 1.18 H new ATOM 131 N ARG A 10 15.029 5.105 -2.533 1.00 0.93 N ATOM 132 CA ARG A 10 14.627 6.446 -2.969 1.00 0.96 C ATOM 133 C ARG A 10 14.754 6.642 -4.470 1.00 1.45 C ATOM 134 O ARG A 10 15.841 6.591 -5.046 1.00 1.60 O ATOM 135 CB ARG A 10 15.292 7.572 -2.160 1.00 0.98 C ATOM 136 CG ARG A 10 14.513 8.865 -2.463 1.00 1.40 C ATOM 137 CD ARG A 10 14.861 10.058 -1.579 1.00 1.76 C ATOM 138 NE ARG A 10 16.156 10.668 -1.944 1.00 2.33 N ATOM 139 CZ ARG A 10 16.532 11.926 -1.726 1.00 3.08 C ATOM 140 NH1 ARG A 10 15.738 12.801 -1.138 1.00 3.57 N ATOM 141 NH2 ARG A 10 17.740 12.318 -2.083 1.00 4.21 N ATOM 0 H ARG A 10 15.962 5.064 -2.124 1.00 0.93 H new ATOM 0 HA ARG A 10 13.562 6.518 -2.747 1.00 0.96 H new ATOM 0 HB2 ARG A 10 15.267 7.347 -1.094 1.00 0.98 H new ATOM 0 HB3 ARG A 10 16.340 7.679 -2.438 1.00 0.98 H new ATOM 0 HG2 ARG A 10 14.689 9.141 -3.503 1.00 1.40 H new ATOM 0 HG3 ARG A 10 13.447 8.659 -2.364 1.00 1.40 H new ATOM 0 HD2 ARG A 10 14.074 10.808 -1.658 1.00 1.76 H new ATOM 0 HD3 ARG A 10 14.893 9.738 -0.537 1.00 1.76 H new ATOM 0 HE ARG A 10 16.831 10.063 -2.411 1.00 2.33 H new ATOM 0 HH11 ARG A 10 14.805 12.520 -0.836 1.00 3.57 H new ATOM 0 HH12 ARG A 10 16.057 13.758 -0.986 1.00 3.57 H new ATOM 0 HH21 ARG A 10 18.381 11.658 -2.524 1.00 4.21 H new ATOM 0 HH22 ARG A 10 18.033 13.281 -1.918 1.00 4.21 H new ATOM 155 N LEU A 11 13.612 6.945 -5.082 1.00 1.19 N ATOM 156 CA LEU A 11 13.519 7.292 -6.495 1.00 1.18 C ATOM 157 C LEU A 11 13.928 8.758 -6.675 1.00 1.47 C ATOM 158 O LEU A 11 13.200 9.665 -6.276 1.00 2.01 O ATOM 159 CB LEU A 11 12.095 6.999 -7.017 1.00 1.21 C ATOM 160 CG LEU A 11 11.606 5.548 -6.800 1.00 1.37 C ATOM 161 CD1 LEU A 11 10.239 5.366 -7.469 1.00 1.47 C ATOM 162 CD2 LEU A 11 12.581 4.498 -7.357 1.00 1.40 C ATOM 0 H LEU A 11 12.712 6.956 -4.602 1.00 1.19 H new ATOM 0 HA LEU A 11 14.201 6.682 -7.088 1.00 1.18 H new ATOM 0 HB2 LEU A 11 11.398 7.679 -6.527 1.00 1.21 H new ATOM 0 HB3 LEU A 11 12.062 7.222 -8.083 1.00 1.21 H new ATOM 0 HG LEU A 11 11.539 5.391 -5.723 1.00 1.37 H new ATOM 0 HD11 LEU A 11 9.893 4.344 -7.317 1.00 1.47 H new ATOM 0 HD12 LEU A 11 9.523 6.061 -7.029 1.00 1.47 H new ATOM 0 HD13 LEU A 11 10.327 5.564 -8.537 1.00 1.47 H new ATOM 0 HD21 LEU A 11 12.183 3.500 -7.175 1.00 1.40 H new ATOM 0 HD22 LEU A 11 12.705 4.649 -8.429 1.00 1.40 H new ATOM 0 HD23 LEU A 11 13.547 4.600 -6.862 1.00 1.40 H new ATOM 174 N LEU A 12 15.103 8.992 -7.273 1.00 1.29 N ATOM 175 CA LEU A 12 15.605 10.339 -7.587 1.00 1.43 C ATOM 176 C LEU A 12 14.842 10.979 -8.760 1.00 1.66 C ATOM 177 O LEU A 12 14.750 12.201 -8.851 1.00 1.99 O ATOM 178 CB LEU A 12 17.126 10.261 -7.858 1.00 1.77 C ATOM 179 CG LEU A 12 17.995 11.282 -7.092 1.00 2.07 C ATOM 180 CD1 LEU A 12 17.602 12.738 -7.384 1.00 3.27 C ATOM 181 CD2 LEU A 12 17.972 11.024 -5.574 1.00 3.42 C ATOM 0 H LEU A 12 15.739 8.246 -7.556 1.00 1.29 H new ATOM 0 HA LEU A 12 15.432 10.990 -6.730 1.00 1.43 H new ATOM 0 HB2 LEU A 12 17.470 9.258 -7.607 1.00 1.77 H new ATOM 0 HB3 LEU A 12 17.294 10.398 -8.926 1.00 1.77 H new ATOM 0 HG LEU A 12 19.012 11.137 -7.457 1.00 2.07 H new ATOM 0 HD11 LEU A 12 18.247 13.410 -6.818 1.00 3.27 H new ATOM 0 HD12 LEU A 12 17.715 12.939 -8.449 1.00 3.27 H new ATOM 0 HD13 LEU A 12 16.564 12.900 -7.092 1.00 3.27 H new ATOM 0 HD21 LEU A 12 18.595 11.763 -5.070 1.00 3.42 H new ATOM 0 HD22 LEU A 12 16.948 11.102 -5.207 1.00 3.42 H new ATOM 0 HD23 LEU A 12 18.356 10.025 -5.369 1.00 3.42 H new ATOM 193 N ASN A 13 14.246 10.151 -9.618 1.00 1.57 N ATOM 194 CA ASN A 13 13.448 10.554 -10.776 1.00 1.76 C ATOM 195 C ASN A 13 11.973 10.105 -10.596 1.00 1.65 C ATOM 196 O ASN A 13 11.531 9.167 -11.268 1.00 1.69 O ATOM 197 CB ASN A 13 14.122 9.970 -12.034 1.00 2.24 C ATOM 198 CG ASN A 13 15.614 10.298 -12.104 1.00 3.66 C ATOM 199 OD1 ASN A 13 16.457 9.522 -11.683 1.00 5.30 O ATOM 200 ND2 ASN A 13 15.988 11.464 -12.599 1.00 4.01 N ATOM 0 H ASN A 13 14.309 9.138 -9.521 1.00 1.57 H new ATOM 0 HA ASN A 13 13.411 11.638 -10.881 1.00 1.76 H new ATOM 0 HB2 ASN A 13 13.990 8.888 -12.044 1.00 2.24 H new ATOM 0 HB3 ASN A 13 13.625 10.360 -12.923 1.00 2.24 H new ATOM 0 HD21 ASN A 13 16.977 11.712 -12.628 1.00 4.01 H new ATOM 0 HD22 ASN A 13 15.288 12.116 -12.952 1.00 4.01 H new ATOM 207 N PRO A 14 11.209 10.720 -9.665 1.00 1.51 N ATOM 208 CA PRO A 14 9.878 10.264 -9.264 1.00 1.45 C ATOM 209 C PRO A 14 8.814 10.556 -10.317 1.00 1.36 C ATOM 210 O PRO A 14 8.561 11.695 -10.713 1.00 1.37 O ATOM 211 CB PRO A 14 9.592 10.981 -7.942 1.00 1.62 C ATOM 212 CG PRO A 14 10.352 12.293 -8.085 1.00 1.76 C ATOM 213 CD PRO A 14 11.608 11.843 -8.822 1.00 1.77 C ATOM 0 HA PRO A 14 9.850 9.180 -9.151 1.00 1.45 H new ATOM 0 HB2 PRO A 14 8.525 11.148 -7.797 1.00 1.62 H new ATOM 0 HB3 PRO A 14 9.943 10.404 -7.087 1.00 1.62 H new ATOM 0 HG2 PRO A 14 9.788 13.033 -8.652 1.00 1.76 H new ATOM 0 HG3 PRO A 14 10.583 12.740 -7.118 1.00 1.76 H new ATOM 0 HD2 PRO A 14 12.017 12.654 -9.424 1.00 1.77 H new ATOM 0 HD3 PRO A 14 12.385 11.544 -8.119 1.00 1.77 H new ATOM 221 N LYS A 15 8.138 9.482 -10.713 1.00 0.97 N ATOM 222 CA LYS A 15 6.966 9.506 -11.579 1.00 0.83 C ATOM 223 C LYS A 15 5.739 10.117 -10.868 1.00 1.16 C ATOM 224 O LYS A 15 5.456 9.684 -9.746 1.00 1.36 O ATOM 225 CB LYS A 15 6.621 8.048 -11.912 1.00 1.12 C ATOM 226 CG LYS A 15 7.596 7.323 -12.853 1.00 1.60 C ATOM 227 CD LYS A 15 6.943 6.095 -13.515 1.00 1.83 C ATOM 228 CE LYS A 15 6.214 5.169 -12.522 1.00 2.00 C ATOM 229 NZ LYS A 15 5.514 4.052 -13.205 1.00 2.70 N ATOM 0 H LYS A 15 8.401 8.538 -10.429 1.00 0.97 H new ATOM 0 HA LYS A 15 7.192 10.106 -12.460 1.00 0.83 H new ATOM 0 HB2 LYS A 15 6.563 7.487 -10.979 1.00 1.12 H new ATOM 0 HB3 LYS A 15 5.628 8.024 -12.361 1.00 1.12 H new ATOM 0 HG2 LYS A 15 7.938 8.013 -13.624 1.00 1.60 H new ATOM 0 HG3 LYS A 15 8.477 7.009 -12.293 1.00 1.60 H new ATOM 0 HD2 LYS A 15 6.233 6.435 -14.269 1.00 1.83 H new ATOM 0 HD3 LYS A 15 7.711 5.522 -14.035 1.00 1.83 H new ATOM 0 HE2 LYS A 15 6.934 4.763 -11.811 1.00 2.00 H new ATOM 0 HE3 LYS A 15 5.492 5.751 -11.948 1.00 2.00 H new ATOM 0 HZ1 LYS A 15 4.737 3.710 -12.604 1.00 2.70 H new ATOM 0 HZ2 LYS A 15 5.129 4.386 -14.111 1.00 2.70 H new ATOM 0 HZ3 LYS A 15 6.185 3.276 -13.379 1.00 2.70 H new ATOM 243 N PRO A 16 4.946 11.002 -11.501 1.00 0.99 N ATOM 244 CA PRO A 16 3.559 11.198 -11.092 1.00 1.13 C ATOM 245 C PRO A 16 2.813 9.871 -11.327 1.00 1.21 C ATOM 246 O PRO A 16 3.136 9.140 -12.268 1.00 1.03 O ATOM 247 CB PRO A 16 3.029 12.336 -11.971 1.00 1.28 C ATOM 248 CG PRO A 16 3.840 12.195 -13.256 1.00 1.23 C ATOM 249 CD PRO A 16 5.189 11.643 -12.788 1.00 1.05 C ATOM 0 HA PRO A 16 3.433 11.462 -10.042 1.00 1.13 H new ATOM 0 HB2 PRO A 16 1.960 12.236 -12.157 1.00 1.28 H new ATOM 0 HB3 PRO A 16 3.181 13.309 -11.504 1.00 1.28 H new ATOM 0 HG2 PRO A 16 3.356 11.519 -13.961 1.00 1.23 H new ATOM 0 HG3 PRO A 16 3.955 13.154 -13.762 1.00 1.23 H new ATOM 0 HD2 PRO A 16 5.588 10.929 -13.509 1.00 1.05 H new ATOM 0 HD3 PRO A 16 5.924 12.442 -12.691 1.00 1.05 H new ATOM 257 N VAL A 17 1.852 9.535 -10.464 1.00 0.93 N ATOM 258 CA VAL A 17 1.171 8.229 -10.418 1.00 0.93 C ATOM 259 C VAL A 17 -0.254 8.385 -9.881 1.00 1.28 C ATOM 260 O VAL A 17 -0.545 9.330 -9.149 1.00 1.36 O ATOM 261 CB VAL A 17 1.929 7.191 -9.548 1.00 0.97 C ATOM 262 CG1 VAL A 17 3.218 6.685 -10.221 1.00 1.03 C ATOM 263 CG2 VAL A 17 2.275 7.701 -8.137 1.00 1.10 C ATOM 0 H VAL A 17 1.512 10.182 -9.753 1.00 0.93 H new ATOM 0 HA VAL A 17 1.148 7.857 -11.442 1.00 0.93 H new ATOM 0 HB VAL A 17 1.224 6.366 -9.448 1.00 0.97 H new ATOM 0 HG11 VAL A 17 3.709 5.962 -9.570 1.00 1.03 H new ATOM 0 HG12 VAL A 17 2.970 6.209 -11.170 1.00 1.03 H new ATOM 0 HG13 VAL A 17 3.889 7.525 -10.400 1.00 1.03 H new ATOM 0 HG21 VAL A 17 2.803 6.922 -7.588 1.00 1.10 H new ATOM 0 HG22 VAL A 17 2.909 8.584 -8.215 1.00 1.10 H new ATOM 0 HG23 VAL A 17 1.357 7.959 -7.608 1.00 1.10 H new ATOM 273 N ASP A 18 -1.130 7.431 -10.215 1.00 1.14 N ATOM 274 CA ASP A 18 -2.531 7.405 -9.798 1.00 1.10 C ATOM 275 C ASP A 18 -3.139 5.992 -9.904 1.00 1.30 C ATOM 276 O ASP A 18 -2.627 5.128 -10.616 1.00 1.67 O ATOM 277 CB ASP A 18 -3.332 8.449 -10.599 1.00 1.10 C ATOM 278 CG ASP A 18 -4.786 8.574 -10.144 1.00 1.33 C ATOM 279 OD1 ASP A 18 -5.045 8.926 -8.968 1.00 2.56 O ATOM 280 OD2 ASP A 18 -5.689 8.306 -10.957 1.00 1.86 O ATOM 0 H ASP A 18 -0.874 6.635 -10.799 1.00 1.14 H new ATOM 0 HA ASP A 18 -2.584 7.672 -8.742 1.00 1.10 H new ATOM 0 HB2 ASP A 18 -2.845 9.420 -10.507 1.00 1.10 H new ATOM 0 HB3 ASP A 18 -3.311 8.181 -11.655 1.00 1.10 H new ATOM 285 N PHE A 19 -4.236 5.755 -9.179 1.00 1.29 N ATOM 286 CA PHE A 19 -4.995 4.504 -9.194 1.00 1.50 C ATOM 287 C PHE A 19 -6.503 4.781 -9.251 1.00 1.63 C ATOM 288 O PHE A 19 -6.938 5.890 -8.965 1.00 1.73 O ATOM 289 CB PHE A 19 -4.613 3.643 -7.972 1.00 1.91 C ATOM 290 CG PHE A 19 -5.010 4.157 -6.588 1.00 2.06 C ATOM 291 CD1 PHE A 19 -6.350 4.107 -6.152 1.00 2.69 C ATOM 292 CD2 PHE A 19 -4.022 4.602 -5.688 1.00 3.01 C ATOM 293 CE1 PHE A 19 -6.701 4.518 -4.855 1.00 2.96 C ATOM 294 CE2 PHE A 19 -4.375 5.016 -4.389 1.00 3.12 C ATOM 295 CZ PHE A 19 -5.715 4.989 -3.977 1.00 2.53 C ATOM 0 H PHE A 19 -4.631 6.451 -8.546 1.00 1.29 H new ATOM 0 HA PHE A 19 -4.740 3.943 -10.093 1.00 1.50 H new ATOM 0 HB2 PHE A 19 -5.059 2.657 -8.104 1.00 1.91 H new ATOM 0 HB3 PHE A 19 -3.531 3.508 -7.982 1.00 1.91 H new ATOM 0 HD1 PHE A 19 -7.116 3.748 -6.823 1.00 2.69 H new ATOM 0 HD2 PHE A 19 -2.987 4.626 -5.996 1.00 3.01 H new ATOM 0 HE1 PHE A 19 -7.731 4.471 -4.534 1.00 2.96 H new ATOM 0 HE2 PHE A 19 -3.610 5.356 -3.707 1.00 3.12 H new ATOM 0 HZ PHE A 19 -5.986 5.329 -2.988 1.00 2.53 H new ATOM 305 N ALA A 20 -7.305 3.756 -9.551 1.00 1.37 N ATOM 306 CA ALA A 20 -8.750 3.751 -9.318 1.00 1.26 C ATOM 307 C ALA A 20 -9.196 2.349 -8.883 1.00 1.29 C ATOM 308 O ALA A 20 -9.173 1.438 -9.704 1.00 1.19 O ATOM 309 CB ALA A 20 -9.453 4.205 -10.604 1.00 1.39 C ATOM 0 H ALA A 20 -6.962 2.892 -9.970 1.00 1.37 H new ATOM 0 HA ALA A 20 -9.017 4.440 -8.517 1.00 1.26 H new ATOM 0 HB1 ALA A 20 -10.532 4.207 -10.448 1.00 1.39 H new ATOM 0 HB2 ALA A 20 -9.122 5.211 -10.864 1.00 1.39 H new ATOM 0 HB3 ALA A 20 -9.205 3.520 -11.415 1.00 1.39 H new ATOM 315 N LEU A 21 -9.576 2.178 -7.612 1.00 1.16 N ATOM 316 CA LEU A 21 -10.100 0.918 -7.064 1.00 1.01 C ATOM 317 C LEU A 21 -11.421 1.165 -6.315 1.00 1.35 C ATOM 318 O LEU A 21 -11.745 2.301 -5.952 1.00 1.69 O ATOM 319 CB LEU A 21 -9.113 0.254 -6.079 1.00 0.90 C ATOM 320 CG LEU A 21 -7.747 -0.289 -6.515 1.00 1.01 C ATOM 321 CD1 LEU A 21 -7.821 -1.198 -7.741 1.00 1.82 C ATOM 322 CD2 LEU A 21 -6.708 0.811 -6.706 1.00 2.39 C ATOM 0 H LEU A 21 -9.528 2.926 -6.920 1.00 1.16 H new ATOM 0 HA LEU A 21 -10.255 0.254 -7.914 1.00 1.01 H new ATOM 0 HB2 LEU A 21 -8.921 0.984 -5.292 1.00 0.90 H new ATOM 0 HB3 LEU A 21 -9.646 -0.578 -5.619 1.00 0.90 H new ATOM 0 HG LEU A 21 -7.413 -0.910 -5.684 1.00 1.01 H new ATOM 0 HD11 LEU A 21 -6.820 -1.547 -7.996 1.00 1.82 H new ATOM 0 HD12 LEU A 21 -8.459 -2.054 -7.521 1.00 1.82 H new ATOM 0 HD13 LEU A 21 -8.236 -0.642 -8.582 1.00 1.82 H new ATOM 0 HD21 LEU A 21 -5.761 0.368 -7.014 1.00 2.39 H new ATOM 0 HD22 LEU A 21 -7.050 1.506 -7.473 1.00 2.39 H new ATOM 0 HD23 LEU A 21 -6.569 1.347 -5.767 1.00 2.39 H new ATOM 334 N GLU A 22 -12.146 0.079 -6.054 1.00 1.03 N ATOM 335 CA GLU A 22 -13.460 0.051 -5.428 1.00 1.02 C ATOM 336 C GLU A 22 -13.369 -0.274 -3.931 1.00 1.33 C ATOM 337 O GLU A 22 -12.528 -1.074 -3.505 1.00 1.50 O ATOM 338 CB GLU A 22 -14.316 -0.987 -6.173 1.00 1.05 C ATOM 339 CG GLU A 22 -15.794 -0.934 -5.800 1.00 2.00 C ATOM 340 CD GLU A 22 -16.337 0.477 -6.000 1.00 3.85 C ATOM 341 OE1 GLU A 22 -16.561 0.835 -7.176 1.00 4.28 O ATOM 342 OE2 GLU A 22 -16.417 1.207 -4.987 1.00 5.50 O ATOM 0 H GLU A 22 -11.811 -0.855 -6.288 1.00 1.03 H new ATOM 0 HA GLU A 22 -13.920 1.037 -5.497 1.00 1.02 H new ATOM 0 HB2 GLU A 22 -14.214 -0.828 -7.246 1.00 1.05 H new ATOM 0 HB3 GLU A 22 -13.931 -1.984 -5.961 1.00 1.05 H new ATOM 0 HG2 GLU A 22 -16.357 -1.638 -6.413 1.00 2.00 H new ATOM 0 HG3 GLU A 22 -15.926 -1.239 -4.762 1.00 2.00 H new ATOM 349 N GLY A 23 -14.255 0.328 -3.131 1.00 1.07 N ATOM 350 CA GLY A 23 -14.406 0.064 -1.695 1.00 1.04 C ATOM 351 C GLY A 23 -15.834 -0.367 -1.334 1.00 1.05 C ATOM 352 O GLY A 23 -16.729 -0.278 -2.170 1.00 1.09 O ATOM 0 H GLY A 23 -14.907 1.034 -3.474 1.00 1.07 H new ATOM 0 HA2 GLY A 23 -13.706 -0.715 -1.395 1.00 1.04 H new ATOM 0 HA3 GLY A 23 -14.145 0.961 -1.133 1.00 1.04 H new ATOM 356 N PRO A 24 -16.110 -0.773 -0.084 1.00 0.92 N ATOM 357 CA PRO A 24 -17.451 -1.151 0.388 1.00 1.05 C ATOM 358 C PRO A 24 -18.363 0.075 0.636 1.00 1.32 C ATOM 359 O PRO A 24 -19.124 0.113 1.602 1.00 1.53 O ATOM 360 CB PRO A 24 -17.175 -1.965 1.656 1.00 1.17 C ATOM 361 CG PRO A 24 -15.978 -1.221 2.236 1.00 1.16 C ATOM 362 CD PRO A 24 -15.141 -0.932 0.991 1.00 0.96 C ATOM 0 HA PRO A 24 -18.009 -1.725 -0.352 1.00 1.05 H new ATOM 0 HB2 PRO A 24 -18.027 -1.967 2.336 1.00 1.17 H new ATOM 0 HB3 PRO A 24 -16.943 -3.006 1.433 1.00 1.17 H new ATOM 0 HG2 PRO A 24 -16.277 -0.306 2.747 1.00 1.16 H new ATOM 0 HG3 PRO A 24 -15.434 -1.827 2.960 1.00 1.16 H new ATOM 0 HD2 PRO A 24 -14.541 -0.031 1.119 1.00 0.96 H new ATOM 0 HD3 PRO A 24 -14.449 -1.748 0.782 1.00 0.96 H new ATOM 370 N GLN A 25 -18.258 1.112 -0.204 1.00 1.10 N ATOM 371 CA GLN A 25 -18.944 2.400 -0.045 1.00 1.25 C ATOM 372 C GLN A 25 -18.873 3.314 -1.280 1.00 1.44 C ATOM 373 O GLN A 25 -19.720 4.195 -1.412 1.00 1.68 O ATOM 374 CB GLN A 25 -18.394 3.129 1.202 1.00 1.34 C ATOM 375 CG GLN A 25 -19.438 4.066 1.833 1.00 2.44 C ATOM 376 CD GLN A 25 -19.177 4.275 3.322 1.00 2.85 C ATOM 377 OE1 GLN A 25 -18.810 5.338 3.784 1.00 3.20 O ATOM 378 NE2 GLN A 25 -19.330 3.254 4.143 1.00 3.57 N ATOM 0 H GLN A 25 -17.674 1.076 -1.040 1.00 1.10 H new ATOM 0 HA GLN A 25 -20.002 2.171 0.082 1.00 1.25 H new ATOM 0 HB2 GLN A 25 -18.075 2.393 1.940 1.00 1.34 H new ATOM 0 HB3 GLN A 25 -17.511 3.705 0.924 1.00 1.34 H new ATOM 0 HG2 GLN A 25 -19.421 5.028 1.321 1.00 2.44 H new ATOM 0 HG3 GLN A 25 -20.435 3.648 1.693 1.00 2.44 H new ATOM 0 HE21 GLN A 25 -19.637 2.351 3.782 1.00 3.57 H new ATOM 0 HE22 GLN A 25 -19.141 3.368 5.139 1.00 3.57 H new ATOM 387 N GLY A 26 -17.898 3.104 -2.177 1.00 1.51 N ATOM 388 CA GLY A 26 -17.696 3.854 -3.420 1.00 1.67 C ATOM 389 C GLY A 26 -16.213 3.895 -3.838 1.00 1.80 C ATOM 390 O GLY A 26 -15.345 3.702 -2.975 1.00 2.05 O ATOM 0 H GLY A 26 -17.199 2.373 -2.047 1.00 1.51 H new ATOM 0 HA2 GLY A 26 -18.284 3.399 -4.217 1.00 1.67 H new ATOM 0 HA3 GLY A 26 -18.065 4.872 -3.293 1.00 1.67 H new ATOM 394 N PRO A 27 -15.906 4.152 -5.127 1.00 1.58 N ATOM 395 CA PRO A 27 -14.556 4.037 -5.665 1.00 1.64 C ATOM 396 C PRO A 27 -13.670 5.236 -5.319 1.00 1.73 C ATOM 397 O PRO A 27 -14.118 6.381 -5.257 1.00 1.63 O ATOM 398 CB PRO A 27 -14.717 3.871 -7.179 1.00 1.55 C ATOM 399 CG PRO A 27 -16.034 4.590 -7.467 1.00 1.31 C ATOM 400 CD PRO A 27 -16.862 4.301 -6.217 1.00 1.36 C ATOM 0 HA PRO A 27 -14.044 3.184 -5.220 1.00 1.64 H new ATOM 0 HB2 PRO A 27 -13.886 4.318 -7.724 1.00 1.55 H new ATOM 0 HB3 PRO A 27 -14.759 2.821 -7.467 1.00 1.55 H new ATOM 0 HG2 PRO A 27 -15.886 5.660 -7.615 1.00 1.31 H new ATOM 0 HG3 PRO A 27 -16.515 4.207 -8.367 1.00 1.31 H new ATOM 0 HD2 PRO A 27 -17.560 5.113 -6.015 1.00 1.36 H new ATOM 0 HD3 PRO A 27 -17.455 3.395 -6.343 1.00 1.36 H new ATOM 408 N VAL A 28 -12.379 4.957 -5.134 1.00 1.46 N ATOM 409 CA VAL A 28 -11.368 5.915 -4.662 1.00 1.45 C ATOM 410 C VAL A 28 -10.136 5.875 -5.563 1.00 1.48 C ATOM 411 O VAL A 28 -9.746 4.819 -6.065 1.00 1.48 O ATOM 412 CB VAL A 28 -10.996 5.640 -3.183 1.00 1.67 C ATOM 413 CG1 VAL A 28 -9.882 6.569 -2.668 1.00 2.13 C ATOM 414 CG2 VAL A 28 -12.216 5.823 -2.261 1.00 2.22 C ATOM 0 H VAL A 28 -11.992 4.030 -5.313 1.00 1.46 H new ATOM 0 HA VAL A 28 -11.790 6.919 -4.713 1.00 1.45 H new ATOM 0 HB VAL A 28 -10.643 4.609 -3.159 1.00 1.67 H new ATOM 0 HG11 VAL A 28 -9.662 6.332 -1.627 1.00 2.13 H new ATOM 0 HG12 VAL A 28 -8.984 6.428 -3.270 1.00 2.13 H new ATOM 0 HG13 VAL A 28 -10.210 7.606 -2.742 1.00 2.13 H new ATOM 0 HG21 VAL A 28 -11.926 5.624 -1.229 1.00 2.22 H new ATOM 0 HG22 VAL A 28 -12.584 6.846 -2.343 1.00 2.22 H new ATOM 0 HG23 VAL A 28 -13.003 5.129 -2.557 1.00 2.22 H new ATOM 424 N ARG A 29 -9.522 7.052 -5.750 1.00 1.37 N ATOM 425 CA ARG A 29 -8.278 7.250 -6.501 1.00 1.35 C ATOM 426 C ARG A 29 -7.154 7.791 -5.607 1.00 1.73 C ATOM 427 O ARG A 29 -7.410 8.382 -4.558 1.00 1.94 O ATOM 428 CB ARG A 29 -8.496 8.217 -7.683 1.00 1.35 C ATOM 429 CG ARG A 29 -9.593 7.790 -8.676 1.00 1.36 C ATOM 430 CD ARG A 29 -9.546 8.608 -9.980 1.00 1.60 C ATOM 431 NE ARG A 29 -8.467 8.160 -10.888 1.00 2.65 N ATOM 432 CZ ARG A 29 -8.559 7.515 -12.046 1.00 3.43 C ATOM 433 NH1 ARG A 29 -9.713 7.215 -12.612 1.00 3.61 N ATOM 434 NH2 ARG A 29 -7.460 7.138 -12.654 1.00 4.99 N ATOM 0 H ARG A 29 -9.893 7.922 -5.368 1.00 1.37 H new ATOM 0 HA ARG A 29 -7.980 6.273 -6.881 1.00 1.35 H new ATOM 0 HB2 ARG A 29 -8.748 9.201 -7.287 1.00 1.35 H new ATOM 0 HB3 ARG A 29 -7.556 8.322 -8.225 1.00 1.35 H new ATOM 0 HG2 ARG A 29 -9.478 6.731 -8.909 1.00 1.36 H new ATOM 0 HG3 ARG A 29 -10.571 7.910 -8.209 1.00 1.36 H new ATOM 0 HD2 ARG A 29 -10.505 8.526 -10.492 1.00 1.60 H new ATOM 0 HD3 ARG A 29 -9.401 9.661 -9.740 1.00 1.60 H new ATOM 0 HE ARG A 29 -7.519 8.377 -10.582 1.00 2.65 H new ATOM 0 HH11 ARG A 29 -10.587 7.480 -12.159 1.00 3.61 H new ATOM 0 HH12 ARG A 29 -9.730 6.718 -13.503 1.00 3.61 H new ATOM 0 HH21 ARG A 29 -6.551 7.341 -12.237 1.00 4.99 H new ATOM 0 HH22 ARG A 29 -7.514 6.642 -13.544 1.00 4.99 H new ATOM 448 N LEU A 30 -5.905 7.702 -6.074 1.00 1.31 N ATOM 449 CA LEU A 30 -4.774 8.444 -5.488 1.00 1.32 C ATOM 450 C LEU A 30 -4.993 9.961 -5.602 1.00 1.40 C ATOM 451 O LEU A 30 -4.694 10.724 -4.690 1.00 1.52 O ATOM 452 CB LEU A 30 -3.482 8.034 -6.215 1.00 1.35 C ATOM 453 CG LEU A 30 -2.275 7.833 -5.286 1.00 1.41 C ATOM 454 CD1 LEU A 30 -1.116 7.291 -6.122 1.00 2.15 C ATOM 455 CD2 LEU A 30 -1.848 9.106 -4.545 1.00 2.51 C ATOM 0 H LEU A 30 -5.645 7.116 -6.867 1.00 1.31 H new ATOM 0 HA LEU A 30 -4.696 8.200 -4.428 1.00 1.32 H new ATOM 0 HB2 LEU A 30 -3.664 7.109 -6.762 1.00 1.35 H new ATOM 0 HB3 LEU A 30 -3.235 8.797 -6.953 1.00 1.35 H new ATOM 0 HG LEU A 30 -2.567 7.128 -4.508 1.00 1.41 H new ATOM 0 HD11 LEU A 30 -0.246 7.140 -5.483 1.00 2.15 H new ATOM 0 HD12 LEU A 30 -1.405 6.341 -6.572 1.00 2.15 H new ATOM 0 HD13 LEU A 30 -0.869 8.005 -6.908 1.00 2.15 H new ATOM 0 HD21 LEU A 30 -0.991 8.886 -3.909 1.00 2.51 H new ATOM 0 HD22 LEU A 30 -1.575 9.874 -5.269 1.00 2.51 H new ATOM 0 HD23 LEU A 30 -2.674 9.464 -3.930 1.00 2.51 H new ATOM 467 N SER A 31 -5.607 10.372 -6.710 1.00 1.15 N ATOM 468 CA SER A 31 -6.007 11.746 -7.038 1.00 1.09 C ATOM 469 C SER A 31 -6.775 12.461 -5.917 1.00 1.53 C ATOM 470 O SER A 31 -6.707 13.688 -5.832 1.00 1.94 O ATOM 471 CB SER A 31 -6.899 11.721 -8.291 1.00 1.14 C ATOM 472 OG SER A 31 -6.223 11.256 -9.448 1.00 1.94 O ATOM 0 H SER A 31 -5.855 9.716 -7.451 1.00 1.15 H new ATOM 0 HA SER A 31 -5.083 12.302 -7.197 1.00 1.09 H new ATOM 0 HB2 SER A 31 -7.763 11.084 -8.102 1.00 1.14 H new ATOM 0 HB3 SER A 31 -7.279 12.725 -8.479 1.00 1.14 H new ATOM 0 HG SER A 31 -5.506 10.643 -9.184 1.00 1.94 H new ATOM 478 N GLN A 32 -7.462 11.728 -5.033 1.00 1.27 N ATOM 479 CA GLN A 32 -8.240 12.296 -3.931 1.00 1.36 C ATOM 480 C GLN A 32 -7.350 12.822 -2.792 1.00 1.80 C ATOM 481 O GLN A 32 -7.847 13.501 -1.897 1.00 1.90 O ATOM 482 CB GLN A 32 -9.248 11.245 -3.409 1.00 1.46 C ATOM 483 CG GLN A 32 -10.076 10.500 -4.474 1.00 1.37 C ATOM 484 CD GLN A 32 -10.568 11.375 -5.620 1.00 2.36 C ATOM 485 OE1 GLN A 32 -10.011 11.374 -6.709 1.00 3.23 O ATOM 486 NE2 GLN A 32 -11.608 12.154 -5.431 1.00 3.01 N ATOM 0 H GLN A 32 -7.492 10.709 -5.065 1.00 1.27 H new ATOM 0 HA GLN A 32 -8.785 13.158 -4.317 1.00 1.36 H new ATOM 0 HB2 GLN A 32 -8.699 10.506 -2.825 1.00 1.46 H new ATOM 0 HB3 GLN A 32 -9.937 11.742 -2.727 1.00 1.46 H new ATOM 0 HG2 GLN A 32 -9.472 9.691 -4.885 1.00 1.37 H new ATOM 0 HG3 GLN A 32 -10.937 10.040 -3.990 1.00 1.37 H new ATOM 0 HE21 GLN A 32 -12.081 12.163 -4.527 1.00 3.01 H new ATOM 0 HE22 GLN A 32 -11.943 12.750 -6.188 1.00 3.01 H new ATOM 495 N PHE A 33 -6.043 12.524 -2.829 1.00 1.44 N ATOM 496 CA PHE A 33 -5.064 12.734 -1.765 1.00 1.53 C ATOM 497 C PHE A 33 -3.724 13.284 -2.312 1.00 2.44 C ATOM 498 O PHE A 33 -2.669 13.044 -1.732 1.00 2.85 O ATOM 499 CB PHE A 33 -4.829 11.373 -1.087 1.00 1.65 C ATOM 500 CG PHE A 33 -6.053 10.553 -0.718 1.00 1.59 C ATOM 501 CD1 PHE A 33 -6.964 11.023 0.248 1.00 2.79 C ATOM 502 CD2 PHE A 33 -6.264 9.302 -1.327 1.00 1.97 C ATOM 503 CE1 PHE A 33 -8.080 10.244 0.599 1.00 2.91 C ATOM 504 CE2 PHE A 33 -7.373 8.518 -0.964 1.00 1.82 C ATOM 505 CZ PHE A 33 -8.283 8.989 -0.002 1.00 1.85 C ATOM 0 H PHE A 33 -5.620 12.104 -3.657 1.00 1.44 H new ATOM 0 HA PHE A 33 -5.446 13.473 -1.061 1.00 1.53 H new ATOM 0 HB2 PHE A 33 -4.207 10.770 -1.749 1.00 1.65 H new ATOM 0 HB3 PHE A 33 -4.253 11.545 -0.178 1.00 1.65 H new ATOM 0 HD1 PHE A 33 -6.805 11.982 0.719 1.00 2.79 H new ATOM 0 HD2 PHE A 33 -5.572 8.943 -2.075 1.00 1.97 H new ATOM 0 HE1 PHE A 33 -8.783 10.610 1.332 1.00 2.91 H new ATOM 0 HE2 PHE A 33 -7.526 7.553 -1.425 1.00 1.82 H new ATOM 0 HZ PHE A 33 -9.137 8.388 0.275 1.00 1.85 H new ATOM 515 N GLN A 34 -3.731 13.948 -3.475 1.00 1.28 N ATOM 516 CA GLN A 34 -2.493 14.286 -4.201 1.00 1.24 C ATOM 517 C GLN A 34 -1.622 15.358 -3.521 1.00 1.53 C ATOM 518 O GLN A 34 -0.402 15.265 -3.599 1.00 2.14 O ATOM 519 CB GLN A 34 -2.805 14.585 -5.681 1.00 1.23 C ATOM 520 CG GLN A 34 -3.687 15.819 -5.942 1.00 1.73 C ATOM 521 CD GLN A 34 -4.143 15.873 -7.403 1.00 1.73 C ATOM 522 OE1 GLN A 34 -3.504 16.443 -8.269 1.00 2.41 O ATOM 523 NE2 GLN A 34 -5.255 15.254 -7.747 1.00 2.65 N ATOM 0 H GLN A 34 -4.583 14.264 -3.938 1.00 1.28 H new ATOM 0 HA GLN A 34 -1.856 13.402 -4.166 1.00 1.24 H new ATOM 0 HB2 GLN A 34 -1.862 14.716 -6.212 1.00 1.23 H new ATOM 0 HB3 GLN A 34 -3.296 13.713 -6.113 1.00 1.23 H new ATOM 0 HG2 GLN A 34 -4.558 15.792 -5.287 1.00 1.73 H new ATOM 0 HG3 GLN A 34 -3.132 16.725 -5.698 1.00 1.73 H new ATOM 0 HE21 GLN A 34 -5.808 14.769 -7.040 1.00 2.65 H new ATOM 0 HE22 GLN A 34 -5.562 15.260 -8.720 1.00 2.65 H new ATOM 532 N ASP A 35 -2.217 16.297 -2.776 1.00 1.46 N ATOM 533 CA ASP A 35 -1.531 17.190 -1.812 1.00 1.64 C ATOM 534 C ASP A 35 -0.894 16.429 -0.627 1.00 1.60 C ATOM 535 O ASP A 35 0.074 16.860 0.002 1.00 1.95 O ATOM 536 CB ASP A 35 -2.606 18.175 -1.297 1.00 1.91 C ATOM 537 CG ASP A 35 -2.324 18.767 0.094 1.00 2.78 C ATOM 538 OD1 ASP A 35 -1.573 19.763 0.174 1.00 4.05 O ATOM 539 OD2 ASP A 35 -2.897 18.231 1.072 1.00 3.09 O ATOM 0 H ASP A 35 -3.221 16.468 -2.823 1.00 1.46 H new ATOM 0 HA ASP A 35 -0.705 17.697 -2.310 1.00 1.64 H new ATOM 0 HB2 ASP A 35 -2.702 18.992 -2.012 1.00 1.91 H new ATOM 0 HB3 ASP A 35 -3.567 17.661 -1.270 1.00 1.91 H new ATOM 544 N LYS A 36 -1.489 15.289 -0.286 1.00 1.30 N ATOM 545 CA LYS A 36 -1.310 14.596 0.983 1.00 1.29 C ATOM 546 C LYS A 36 -0.176 13.549 0.904 1.00 1.40 C ATOM 547 O LYS A 36 0.521 13.403 -0.103 1.00 1.51 O ATOM 548 CB LYS A 36 -2.687 14.008 1.392 1.00 1.49 C ATOM 549 CG LYS A 36 -3.818 15.023 1.547 1.00 1.88 C ATOM 550 CD LYS A 36 -3.779 15.516 2.986 1.00 2.04 C ATOM 551 CE LYS A 36 -4.899 16.488 3.224 1.00 2.39 C ATOM 552 NZ LYS A 36 -5.030 16.872 4.663 1.00 2.61 N ATOM 0 H LYS A 36 -2.134 14.805 -0.911 1.00 1.30 H new ATOM 0 HA LYS A 36 -0.983 15.284 1.763 1.00 1.29 H new ATOM 0 HB2 LYS A 36 -2.984 13.271 0.645 1.00 1.49 H new ATOM 0 HB3 LYS A 36 -2.569 13.476 2.336 1.00 1.49 H new ATOM 0 HG2 LYS A 36 -3.690 15.852 0.852 1.00 1.88 H new ATOM 0 HG3 LYS A 36 -4.781 14.565 1.322 1.00 1.88 H new ATOM 0 HD2 LYS A 36 -3.866 14.673 3.671 1.00 2.04 H new ATOM 0 HD3 LYS A 36 -2.821 15.995 3.190 1.00 2.04 H new ATOM 0 HE2 LYS A 36 -4.731 17.384 2.626 1.00 2.39 H new ATOM 0 HE3 LYS A 36 -5.836 16.048 2.882 1.00 2.39 H new ATOM 0 HZ1 LYS A 36 -5.877 17.462 4.789 1.00 2.61 H new ATOM 0 HZ2 LYS A 36 -5.116 16.014 5.245 1.00 2.61 H new ATOM 0 HZ3 LYS A 36 -4.188 17.407 4.958 1.00 2.61 H new ATOM 566 N VAL A 37 0.028 12.818 1.997 1.00 1.07 N ATOM 567 CA VAL A 37 0.941 11.673 2.085 1.00 1.00 C ATOM 568 C VAL A 37 0.096 10.404 1.965 1.00 1.30 C ATOM 569 O VAL A 37 -0.779 10.156 2.792 1.00 1.63 O ATOM 570 CB VAL A 37 1.745 11.650 3.408 1.00 1.01 C ATOM 571 CG1 VAL A 37 2.931 10.680 3.289 1.00 1.14 C ATOM 572 CG2 VAL A 37 2.259 13.034 3.841 1.00 1.33 C ATOM 0 H VAL A 37 -0.452 13.010 2.877 1.00 1.07 H new ATOM 0 HA VAL A 37 1.675 11.745 1.283 1.00 1.00 H new ATOM 0 HB VAL A 37 1.050 11.315 4.178 1.00 1.01 H new ATOM 0 HG11 VAL A 37 3.490 10.672 4.225 1.00 1.14 H new ATOM 0 HG12 VAL A 37 2.561 9.677 3.078 1.00 1.14 H new ATOM 0 HG13 VAL A 37 3.585 11.003 2.479 1.00 1.14 H new ATOM 0 HG21 VAL A 37 2.813 12.941 4.775 1.00 1.33 H new ATOM 0 HG22 VAL A 37 2.915 13.436 3.069 1.00 1.33 H new ATOM 0 HG23 VAL A 37 1.414 13.707 3.986 1.00 1.33 H new ATOM 582 N VAL A 38 0.358 9.618 0.923 1.00 0.84 N ATOM 583 CA VAL A 38 -0.290 8.335 0.644 1.00 0.81 C ATOM 584 C VAL A 38 0.746 7.214 0.666 1.00 1.08 C ATOM 585 O VAL A 38 1.785 7.290 0.005 1.00 1.07 O ATOM 586 CB VAL A 38 -1.016 8.363 -0.723 1.00 0.98 C ATOM 587 CG1 VAL A 38 -1.364 6.967 -1.264 1.00 1.35 C ATOM 588 CG2 VAL A 38 -2.316 9.165 -0.597 1.00 1.11 C ATOM 0 H VAL A 38 1.055 9.866 0.221 1.00 0.84 H new ATOM 0 HA VAL A 38 -1.035 8.152 1.418 1.00 0.81 H new ATOM 0 HB VAL A 38 -0.322 8.825 -1.426 1.00 0.98 H new ATOM 0 HG11 VAL A 38 -1.871 7.065 -2.224 1.00 1.35 H new ATOM 0 HG12 VAL A 38 -0.449 6.389 -1.394 1.00 1.35 H new ATOM 0 HG13 VAL A 38 -2.019 6.456 -0.558 1.00 1.35 H new ATOM 0 HG21 VAL A 38 -2.826 9.184 -1.560 1.00 1.11 H new ATOM 0 HG22 VAL A 38 -2.961 8.697 0.147 1.00 1.11 H new ATOM 0 HG23 VAL A 38 -2.086 10.185 -0.288 1.00 1.11 H new ATOM 598 N LEU A 39 0.406 6.150 1.391 1.00 0.77 N ATOM 599 CA LEU A 39 1.016 4.828 1.282 1.00 0.76 C ATOM 600 C LEU A 39 0.070 3.878 0.530 1.00 1.26 C ATOM 601 O LEU A 39 -1.083 3.705 0.924 1.00 1.41 O ATOM 602 CB LEU A 39 1.300 4.311 2.707 1.00 0.75 C ATOM 603 CG LEU A 39 2.566 4.924 3.337 1.00 0.89 C ATOM 604 CD1 LEU A 39 2.474 4.892 4.868 1.00 1.52 C ATOM 605 CD2 LEU A 39 3.817 4.171 2.869 1.00 1.39 C ATOM 0 H LEU A 39 -0.330 6.187 2.097 1.00 0.77 H new ATOM 0 HA LEU A 39 1.950 4.881 0.722 1.00 0.76 H new ATOM 0 HB2 LEU A 39 0.443 4.531 3.343 1.00 0.75 H new ATOM 0 HB3 LEU A 39 1.406 3.227 2.678 1.00 0.75 H new ATOM 0 HG LEU A 39 2.641 5.962 3.013 1.00 0.89 H new ATOM 0 HD11 LEU A 39 3.376 5.329 5.296 1.00 1.52 H new ATOM 0 HD12 LEU A 39 1.605 5.464 5.192 1.00 1.52 H new ATOM 0 HD13 LEU A 39 2.375 3.860 5.205 1.00 1.52 H new ATOM 0 HD21 LEU A 39 4.702 4.617 3.324 1.00 1.39 H new ATOM 0 HD22 LEU A 39 3.745 3.125 3.167 1.00 1.39 H new ATOM 0 HD23 LEU A 39 3.895 4.235 1.784 1.00 1.39 H new ATOM 617 N LEU A 40 0.593 3.212 -0.497 1.00 0.74 N ATOM 618 CA LEU A 40 -0.016 2.018 -1.095 1.00 0.61 C ATOM 619 C LEU A 40 0.682 0.783 -0.546 1.00 1.07 C ATOM 620 O LEU A 40 1.911 0.727 -0.561 1.00 1.25 O ATOM 621 CB LEU A 40 0.187 2.005 -2.619 1.00 0.55 C ATOM 622 CG LEU A 40 -0.894 2.644 -3.487 1.00 0.97 C ATOM 623 CD1 LEU A 40 -2.248 1.947 -3.335 1.00 1.66 C ATOM 624 CD2 LEU A 40 -0.973 4.155 -3.259 1.00 2.46 C ATOM 0 H LEU A 40 1.466 3.488 -0.947 1.00 0.74 H new ATOM 0 HA LEU A 40 -1.080 2.025 -0.859 1.00 0.61 H new ATOM 0 HB2 LEU A 40 1.130 2.507 -2.835 1.00 0.55 H new ATOM 0 HB3 LEU A 40 0.299 0.967 -2.933 1.00 0.55 H new ATOM 0 HG LEU A 40 -0.603 2.499 -4.528 1.00 0.97 H new ATOM 0 HD11 LEU A 40 -2.984 2.438 -3.972 1.00 1.66 H new ATOM 0 HD12 LEU A 40 -2.154 0.901 -3.629 1.00 1.66 H new ATOM 0 HD13 LEU A 40 -2.572 2.004 -2.296 1.00 1.66 H new ATOM 0 HD21 LEU A 40 -1.753 4.578 -3.892 1.00 2.46 H new ATOM 0 HD22 LEU A 40 -1.208 4.353 -2.213 1.00 2.46 H new ATOM 0 HD23 LEU A 40 -0.015 4.611 -3.509 1.00 2.46 H new ATOM 636 N PHE A 41 -0.103 -0.225 -0.180 1.00 0.80 N ATOM 637 CA PHE A 41 0.381 -1.572 0.114 1.00 0.84 C ATOM 638 C PHE A 41 -0.454 -2.606 -0.649 1.00 1.52 C ATOM 639 O PHE A 41 -1.682 -2.677 -0.510 1.00 1.80 O ATOM 640 CB PHE A 41 0.391 -1.813 1.634 1.00 0.87 C ATOM 641 CG PHE A 41 0.942 -3.166 2.063 1.00 0.93 C ATOM 642 CD1 PHE A 41 2.181 -3.625 1.569 1.00 1.86 C ATOM 643 CD2 PHE A 41 0.227 -3.963 2.979 1.00 2.33 C ATOM 644 CE1 PHE A 41 2.674 -4.886 1.958 1.00 1.73 C ATOM 645 CE2 PHE A 41 0.723 -5.219 3.373 1.00 2.37 C ATOM 646 CZ PHE A 41 1.945 -5.683 2.856 1.00 1.05 C ATOM 0 H PHE A 41 -1.113 -0.128 -0.077 1.00 0.80 H new ATOM 0 HA PHE A 41 1.411 -1.679 -0.228 1.00 0.84 H new ATOM 0 HB2 PHE A 41 0.982 -1.029 2.108 1.00 0.87 H new ATOM 0 HB3 PHE A 41 -0.628 -1.716 2.010 1.00 0.87 H new ATOM 0 HD1 PHE A 41 2.753 -3.008 0.891 1.00 1.86 H new ATOM 0 HD2 PHE A 41 -0.710 -3.607 3.382 1.00 2.33 H new ATOM 0 HE1 PHE A 41 3.615 -5.241 1.565 1.00 1.73 H new ATOM 0 HE2 PHE A 41 0.166 -5.826 4.071 1.00 2.37 H new ATOM 0 HZ PHE A 41 2.323 -6.651 3.149 1.00 1.05 H new ATOM 656 N PHE A 42 0.229 -3.404 -1.470 1.00 0.86 N ATOM 657 CA PHE A 42 -0.380 -4.447 -2.293 1.00 0.86 C ATOM 658 C PHE A 42 -0.223 -5.805 -1.601 1.00 1.83 C ATOM 659 O PHE A 42 0.888 -6.325 -1.469 1.00 2.18 O ATOM 660 CB PHE A 42 0.241 -4.419 -3.698 1.00 0.91 C ATOM 661 CG PHE A 42 -0.360 -3.353 -4.600 1.00 0.98 C ATOM 662 CD1 PHE A 42 0.013 -2.003 -4.451 1.00 2.29 C ATOM 663 CD2 PHE A 42 -1.303 -3.709 -5.584 1.00 1.98 C ATOM 664 CE1 PHE A 42 -0.538 -1.021 -5.293 1.00 2.09 C ATOM 665 CE2 PHE A 42 -1.849 -2.727 -6.429 1.00 2.16 C ATOM 666 CZ PHE A 42 -1.471 -1.382 -6.279 1.00 1.23 C ATOM 0 H PHE A 42 1.241 -3.342 -1.583 1.00 0.86 H new ATOM 0 HA PHE A 42 -1.449 -4.268 -2.409 1.00 0.86 H new ATOM 0 HB2 PHE A 42 1.314 -4.248 -3.610 1.00 0.91 H new ATOM 0 HB3 PHE A 42 0.111 -5.395 -4.165 1.00 0.91 H new ATOM 0 HD1 PHE A 42 0.724 -1.721 -3.688 1.00 2.29 H new ATOM 0 HD2 PHE A 42 -1.608 -4.740 -5.690 1.00 1.98 H new ATOM 0 HE1 PHE A 42 -0.244 0.012 -5.182 1.00 2.09 H new ATOM 0 HE2 PHE A 42 -2.559 -3.006 -7.193 1.00 2.16 H new ATOM 0 HZ PHE A 42 -1.898 -0.626 -6.922 1.00 1.23 H new ATOM 676 N GLY A 43 -1.343 -6.366 -1.131 1.00 0.89 N ATOM 677 CA GLY A 43 -1.395 -7.660 -0.446 1.00 0.92 C ATOM 678 C GLY A 43 -2.625 -8.507 -0.767 1.00 0.98 C ATOM 679 O GLY A 43 -3.557 -8.080 -1.449 1.00 1.07 O ATOM 0 H GLY A 43 -2.257 -5.923 -1.219 1.00 0.89 H new ATOM 0 HA2 GLY A 43 -0.502 -8.229 -0.706 1.00 0.92 H new ATOM 0 HA3 GLY A 43 -1.361 -7.487 0.630 1.00 0.92 H new ATOM 683 N PHE A 44 -2.604 -9.728 -0.227 1.00 0.96 N ATOM 684 CA PHE A 44 -3.720 -10.674 -0.203 1.00 0.94 C ATOM 685 C PHE A 44 -4.222 -10.792 1.240 1.00 1.80 C ATOM 686 O PHE A 44 -3.400 -10.959 2.149 1.00 2.57 O ATOM 687 CB PHE A 44 -3.194 -12.037 -0.708 1.00 1.16 C ATOM 688 CG PHE A 44 -4.191 -13.146 -1.014 1.00 1.29 C ATOM 689 CD1 PHE A 44 -5.560 -12.891 -1.239 1.00 2.83 C ATOM 690 CD2 PHE A 44 -3.704 -14.458 -1.177 1.00 2.32 C ATOM 691 CE1 PHE A 44 -6.421 -13.929 -1.634 1.00 3.83 C ATOM 692 CE2 PHE A 44 -4.560 -15.495 -1.583 1.00 3.03 C ATOM 693 CZ PHE A 44 -5.919 -15.227 -1.824 1.00 3.58 C ATOM 0 H PHE A 44 -1.769 -10.100 0.226 1.00 0.96 H new ATOM 0 HA PHE A 44 -4.542 -10.343 -0.838 1.00 0.94 H new ATOM 0 HB2 PHE A 44 -2.619 -11.852 -1.615 1.00 1.16 H new ATOM 0 HB3 PHE A 44 -2.497 -12.418 0.039 1.00 1.16 H new ATOM 0 HD1 PHE A 44 -5.949 -11.892 -1.107 1.00 2.83 H new ATOM 0 HD2 PHE A 44 -2.662 -14.669 -0.988 1.00 2.32 H new ATOM 0 HE1 PHE A 44 -7.470 -13.728 -1.792 1.00 3.83 H new ATOM 0 HE2 PHE A 44 -4.175 -16.496 -1.710 1.00 3.03 H new ATOM 0 HZ PHE A 44 -6.576 -16.018 -2.155 1.00 3.58 H new ATOM 703 N THR A 45 -5.535 -10.761 1.502 1.00 0.91 N ATOM 704 CA THR A 45 -6.056 -11.032 2.863 1.00 1.02 C ATOM 705 C THR A 45 -5.804 -12.467 3.333 1.00 1.44 C ATOM 706 O THR A 45 -5.685 -12.693 4.534 1.00 2.06 O ATOM 707 CB THR A 45 -7.533 -10.658 3.000 1.00 1.18 C ATOM 708 OG1 THR A 45 -8.289 -11.306 2.011 1.00 1.70 O ATOM 709 CG2 THR A 45 -7.712 -9.141 2.901 1.00 1.20 C ATOM 0 H THR A 45 -6.252 -10.555 0.807 1.00 0.91 H new ATOM 0 HA THR A 45 -5.484 -10.383 3.527 1.00 1.02 H new ATOM 0 HB THR A 45 -7.886 -10.983 3.979 1.00 1.18 H new ATOM 0 HG1 THR A 45 -8.635 -10.643 1.377 1.00 1.70 H new ATOM 0 HG21 THR A 45 -8.769 -8.892 3.000 1.00 1.20 H new ATOM 0 HG22 THR A 45 -7.148 -8.655 3.697 1.00 1.20 H new ATOM 0 HG23 THR A 45 -7.347 -8.794 1.934 1.00 1.20 H new ATOM 717 N ARG A 46 -5.604 -13.417 2.406 1.00 1.58 N ATOM 718 CA ARG A 46 -5.180 -14.800 2.684 1.00 1.90 C ATOM 719 C ARG A 46 -3.669 -15.033 2.446 1.00 2.06 C ATOM 720 O ARG A 46 -3.242 -16.132 2.093 1.00 2.94 O ATOM 721 CB ARG A 46 -6.113 -15.766 1.925 1.00 2.34 C ATOM 722 CG ARG A 46 -6.072 -17.258 2.325 1.00 2.70 C ATOM 723 CD ARG A 46 -6.079 -17.543 3.838 1.00 3.28 C ATOM 724 NE ARG A 46 -4.718 -17.538 4.413 1.00 3.94 N ATOM 725 CZ ARG A 46 -3.873 -18.559 4.503 1.00 4.86 C ATOM 726 NH1 ARG A 46 -4.199 -19.791 4.160 1.00 5.22 N ATOM 727 NH2 ARG A 46 -2.658 -18.331 4.945 1.00 6.13 N ATOM 0 H ARG A 46 -5.737 -13.239 1.410 1.00 1.58 H new ATOM 0 HA ARG A 46 -5.287 -15.007 3.749 1.00 1.90 H new ATOM 0 HB2 ARG A 46 -7.137 -15.412 2.049 1.00 2.34 H new ATOM 0 HB3 ARG A 46 -5.878 -15.696 0.863 1.00 2.34 H new ATOM 0 HG2 ARG A 46 -6.929 -17.760 1.875 1.00 2.70 H new ATOM 0 HG3 ARG A 46 -5.177 -17.707 1.893 1.00 2.70 H new ATOM 0 HD2 ARG A 46 -6.688 -16.794 4.344 1.00 3.28 H new ATOM 0 HD3 ARG A 46 -6.546 -18.511 4.022 1.00 3.28 H new ATOM 0 HE ARG A 46 -4.389 -16.647 4.784 1.00 3.94 H new ATOM 0 HH11 ARG A 46 -5.135 -19.992 3.808 1.00 5.22 H new ATOM 0 HH12 ARG A 46 -3.515 -20.543 4.247 1.00 5.22 H new ATOM 0 HH21 ARG A 46 -2.381 -17.386 5.210 1.00 6.13 H new ATOM 0 HH22 ARG A 46 -1.991 -19.099 5.023 1.00 6.13 H new ATOM 741 N CYS A 47 -2.831 -14.018 2.681 1.00 1.51 N ATOM 742 CA CYS A 47 -1.372 -14.162 2.856 1.00 1.65 C ATOM 743 C CYS A 47 -0.987 -15.115 4.023 1.00 1.72 C ATOM 744 O CYS A 47 -1.872 -15.615 4.735 1.00 2.30 O ATOM 745 CB CYS A 47 -0.805 -12.749 3.084 1.00 2.06 C ATOM 746 SG CYS A 47 0.112 -12.178 1.623 1.00 3.53 S ATOM 0 H CYS A 47 -3.149 -13.052 2.757 1.00 1.51 H new ATOM 0 HA CYS A 47 -0.946 -14.622 1.964 1.00 1.65 H new ATOM 0 HB2 CYS A 47 -1.618 -12.057 3.302 1.00 2.06 H new ATOM 0 HB3 CYS A 47 -0.147 -12.752 3.953 1.00 2.06 H new ATOM 0 HG CYS A 47 1.058 -11.368 1.994 1.00 3.53 H new ATOM 752 N PRO A 48 0.325 -15.349 4.262 1.00 1.42 N ATOM 753 CA PRO A 48 0.832 -15.788 5.552 1.00 1.67 C ATOM 754 C PRO A 48 0.888 -14.548 6.460 1.00 1.84 C ATOM 755 O PRO A 48 -0.053 -13.758 6.490 1.00 2.88 O ATOM 756 CB PRO A 48 2.194 -16.420 5.224 1.00 2.16 C ATOM 757 CG PRO A 48 2.731 -15.464 4.161 1.00 2.09 C ATOM 758 CD PRO A 48 1.465 -15.122 3.377 1.00 1.69 C ATOM 0 HA PRO A 48 0.229 -16.521 6.088 1.00 1.67 H new ATOM 0 HB2 PRO A 48 2.844 -16.468 6.098 1.00 2.16 H new ATOM 0 HB3 PRO A 48 2.093 -17.437 4.846 1.00 2.16 H new ATOM 0 HG2 PRO A 48 3.190 -14.579 4.602 1.00 2.09 H new ATOM 0 HG3 PRO A 48 3.486 -15.935 3.532 1.00 2.09 H new ATOM 0 HD2 PRO A 48 1.490 -14.085 3.042 1.00 1.69 H new ATOM 0 HD3 PRO A 48 1.387 -15.743 2.485 1.00 1.69 H new ATOM 766 N ASP A 49 2.000 -14.341 7.165 1.00 1.21 N ATOM 767 CA ASP A 49 2.092 -13.346 8.256 1.00 1.28 C ATOM 768 C ASP A 49 2.588 -11.982 7.743 1.00 1.10 C ATOM 769 O ASP A 49 2.301 -10.918 8.278 1.00 1.27 O ATOM 770 CB ASP A 49 3.026 -13.901 9.339 1.00 1.81 C ATOM 771 CG ASP A 49 2.755 -13.232 10.685 1.00 3.19 C ATOM 772 OD1 ASP A 49 1.870 -13.753 11.399 1.00 4.30 O ATOM 773 OD2 ASP A 49 3.418 -12.211 10.969 1.00 3.86 O ATOM 0 H ASP A 49 2.867 -14.853 7.003 1.00 1.21 H new ATOM 0 HA ASP A 49 1.099 -13.177 8.673 1.00 1.28 H new ATOM 0 HB2 ASP A 49 2.886 -14.978 9.429 1.00 1.81 H new ATOM 0 HB3 ASP A 49 4.064 -13.737 9.049 1.00 1.81 H new ATOM 778 N VAL A 50 3.271 -12.042 6.608 1.00 0.97 N ATOM 779 CA VAL A 50 3.970 -10.949 5.938 1.00 0.90 C ATOM 780 C VAL A 50 3.047 -9.828 5.429 1.00 1.08 C ATOM 781 O VAL A 50 3.505 -8.719 5.173 1.00 1.44 O ATOM 782 CB VAL A 50 4.821 -11.573 4.809 1.00 1.23 C ATOM 783 CG1 VAL A 50 4.100 -11.676 3.451 1.00 1.44 C ATOM 784 CG2 VAL A 50 6.169 -10.872 4.708 1.00 1.87 C ATOM 0 H VAL A 50 3.359 -12.918 6.093 1.00 0.97 H new ATOM 0 HA VAL A 50 4.605 -10.439 6.663 1.00 0.90 H new ATOM 0 HB VAL A 50 4.995 -12.611 5.092 1.00 1.23 H new ATOM 0 HG11 VAL A 50 4.769 -12.125 2.717 1.00 1.44 H new ATOM 0 HG12 VAL A 50 3.210 -12.296 3.558 1.00 1.44 H new ATOM 0 HG13 VAL A 50 3.810 -10.680 3.117 1.00 1.44 H new ATOM 0 HG21 VAL A 50 6.755 -11.324 3.908 1.00 1.87 H new ATOM 0 HG22 VAL A 50 6.014 -9.815 4.491 1.00 1.87 H new ATOM 0 HG23 VAL A 50 6.704 -10.974 5.652 1.00 1.87 H new ATOM 794 N CYS A 51 1.749 -10.108 5.265 1.00 1.02 N ATOM 795 CA CYS A 51 0.728 -9.068 5.098 1.00 1.22 C ATOM 796 C CYS A 51 0.397 -8.362 6.432 1.00 1.37 C ATOM 797 O CYS A 51 0.620 -7.151 6.504 1.00 1.59 O ATOM 798 CB CYS A 51 -0.477 -9.652 4.343 1.00 1.45 C ATOM 799 SG CYS A 51 -1.791 -8.411 4.161 1.00 2.01 S ATOM 0 H CYS A 51 1.378 -11.058 5.244 1.00 1.02 H new ATOM 0 HA CYS A 51 1.114 -8.260 4.477 1.00 1.22 H new ATOM 0 HB2 CYS A 51 -0.161 -10.000 3.360 1.00 1.45 H new ATOM 0 HB3 CYS A 51 -0.862 -10.519 4.880 1.00 1.45 H new ATOM 0 HG CYS A 51 -2.743 -8.893 3.419 1.00 2.01 H new ATOM 805 N PRO A 52 -0.126 -9.061 7.470 1.00 1.19 N ATOM 806 CA PRO A 52 -0.547 -8.417 8.712 1.00 1.38 C ATOM 807 C PRO A 52 0.590 -7.735 9.472 1.00 1.43 C ATOM 808 O PRO A 52 0.343 -6.648 9.977 1.00 1.45 O ATOM 809 CB PRO A 52 -1.245 -9.489 9.560 1.00 1.57 C ATOM 810 CG PRO A 52 -0.840 -10.817 8.930 1.00 1.44 C ATOM 811 CD PRO A 52 -0.580 -10.446 7.472 1.00 1.27 C ATOM 0 HA PRO A 52 -1.228 -7.599 8.476 1.00 1.38 H new ATOM 0 HB2 PRO A 52 -0.930 -9.434 10.602 1.00 1.57 H new ATOM 0 HB3 PRO A 52 -2.327 -9.360 9.547 1.00 1.57 H new ATOM 0 HG2 PRO A 52 0.049 -11.233 9.404 1.00 1.44 H new ATOM 0 HG3 PRO A 52 -1.629 -11.563 9.021 1.00 1.44 H new ATOM 0 HD2 PRO A 52 0.173 -11.101 7.034 1.00 1.27 H new ATOM 0 HD3 PRO A 52 -1.486 -10.558 6.876 1.00 1.27 H new ATOM 819 N THR A 53 1.803 -8.303 9.551 1.00 0.95 N ATOM 820 CA THR A 53 2.923 -7.710 10.311 1.00 0.92 C ATOM 821 C THR A 53 3.482 -6.446 9.655 1.00 1.02 C ATOM 822 O THR A 53 3.651 -5.436 10.343 1.00 0.99 O ATOM 823 CB THR A 53 3.978 -8.784 10.598 1.00 1.09 C ATOM 824 OG1 THR A 53 3.362 -9.639 11.536 1.00 2.31 O ATOM 825 CG2 THR A 53 5.237 -8.231 11.266 1.00 1.60 C ATOM 0 H THR A 53 2.039 -9.183 9.093 1.00 0.95 H new ATOM 0 HA THR A 53 2.547 -7.359 11.272 1.00 0.92 H new ATOM 0 HB THR A 53 4.286 -9.251 9.663 1.00 1.09 H new ATOM 0 HG1 THR A 53 3.533 -10.572 11.290 1.00 2.31 H new ATOM 0 HG21 THR A 53 5.943 -9.043 11.441 1.00 1.60 H new ATOM 0 HG22 THR A 53 5.696 -7.485 10.617 1.00 1.60 H new ATOM 0 HG23 THR A 53 4.971 -7.769 12.217 1.00 1.60 H new ATOM 833 N THR A 54 3.642 -6.426 8.325 1.00 0.65 N ATOM 834 CA THR A 54 3.924 -5.211 7.532 1.00 0.65 C ATOM 835 C THR A 54 2.878 -4.129 7.751 1.00 0.84 C ATOM 836 O THR A 54 3.227 -2.975 7.989 1.00 0.86 O ATOM 837 CB THR A 54 4.044 -5.584 6.054 1.00 0.70 C ATOM 838 OG1 THR A 54 5.286 -6.202 5.851 1.00 1.04 O ATOM 839 CG2 THR A 54 4.000 -4.368 5.126 1.00 0.88 C ATOM 0 H THR A 54 3.579 -7.269 7.754 1.00 0.65 H new ATOM 0 HA THR A 54 4.871 -4.791 7.871 1.00 0.65 H new ATOM 0 HB THR A 54 3.200 -6.232 5.820 1.00 0.70 H new ATOM 0 HG1 THR A 54 5.434 -6.875 6.548 1.00 1.04 H new ATOM 0 HG21 THR A 54 4.090 -4.697 4.091 1.00 0.88 H new ATOM 0 HG22 THR A 54 3.054 -3.843 5.259 1.00 0.88 H new ATOM 0 HG23 THR A 54 4.825 -3.697 5.366 1.00 0.88 H new ATOM 847 N LEU A 55 1.594 -4.483 7.729 1.00 0.75 N ATOM 848 CA LEU A 55 0.494 -3.574 7.965 1.00 0.85 C ATOM 849 C LEU A 55 0.446 -3.138 9.446 1.00 1.19 C ATOM 850 O LEU A 55 0.031 -2.014 9.735 1.00 1.39 O ATOM 851 CB LEU A 55 -0.733 -4.336 7.434 1.00 1.12 C ATOM 852 CG LEU A 55 -2.079 -3.719 7.781 1.00 1.49 C ATOM 853 CD1 LEU A 55 -2.258 -2.300 7.228 1.00 3.18 C ATOM 854 CD2 LEU A 55 -3.213 -4.606 7.253 1.00 2.20 C ATOM 0 H LEU A 55 1.291 -5.439 7.540 1.00 0.75 H new ATOM 0 HA LEU A 55 0.571 -2.616 7.452 1.00 0.85 H new ATOM 0 HB2 LEU A 55 -0.654 -4.409 6.349 1.00 1.12 H new ATOM 0 HB3 LEU A 55 -0.706 -5.353 7.825 1.00 1.12 H new ATOM 0 HG LEU A 55 -2.113 -3.651 8.868 1.00 1.49 H new ATOM 0 HD11 LEU A 55 -3.239 -1.920 7.512 1.00 3.18 H new ATOM 0 HD12 LEU A 55 -1.485 -1.650 7.637 1.00 3.18 H new ATOM 0 HD13 LEU A 55 -2.178 -2.320 6.141 1.00 3.18 H new ATOM 0 HD21 LEU A 55 -4.174 -4.157 7.506 1.00 2.20 H new ATOM 0 HD22 LEU A 55 -3.129 -4.698 6.170 1.00 2.20 H new ATOM 0 HD23 LEU A 55 -3.144 -5.594 7.707 1.00 2.20 H new ATOM 866 N LEU A 56 0.939 -3.959 10.385 1.00 0.79 N ATOM 867 CA LEU A 56 1.173 -3.578 11.783 1.00 0.79 C ATOM 868 C LEU A 56 2.248 -2.491 11.848 1.00 1.19 C ATOM 869 O LEU A 56 2.000 -1.448 12.445 1.00 1.39 O ATOM 870 CB LEU A 56 1.561 -4.820 12.626 1.00 0.81 C ATOM 871 CG LEU A 56 1.091 -4.815 14.094 1.00 1.12 C ATOM 872 CD1 LEU A 56 1.556 -6.115 14.768 1.00 1.57 C ATOM 873 CD2 LEU A 56 1.596 -3.616 14.904 1.00 1.89 C ATOM 0 H LEU A 56 1.191 -4.927 10.188 1.00 0.79 H new ATOM 0 HA LEU A 56 0.254 -3.172 12.207 1.00 0.79 H new ATOM 0 HB2 LEU A 56 1.155 -5.706 12.138 1.00 0.81 H new ATOM 0 HB3 LEU A 56 2.646 -4.918 12.613 1.00 0.81 H new ATOM 0 HG LEU A 56 0.004 -4.737 14.077 1.00 1.12 H new ATOM 0 HD11 LEU A 56 1.229 -6.123 15.808 1.00 1.57 H new ATOM 0 HD12 LEU A 56 1.126 -6.970 14.246 1.00 1.57 H new ATOM 0 HD13 LEU A 56 2.644 -6.176 14.729 1.00 1.57 H new ATOM 0 HD21 LEU A 56 1.223 -3.684 15.926 1.00 1.89 H new ATOM 0 HD22 LEU A 56 2.686 -3.617 14.915 1.00 1.89 H new ATOM 0 HD23 LEU A 56 1.239 -2.693 14.448 1.00 1.89 H new ATOM 885 N ALA A 57 3.409 -2.681 11.215 1.00 0.71 N ATOM 886 CA ALA A 57 4.487 -1.689 11.211 1.00 0.73 C ATOM 887 C ALA A 57 4.067 -0.365 10.549 1.00 0.90 C ATOM 888 O ALA A 57 4.292 0.709 11.114 1.00 1.15 O ATOM 889 CB ALA A 57 5.694 -2.324 10.525 1.00 0.73 C ATOM 0 H ALA A 57 3.628 -3.528 10.690 1.00 0.71 H new ATOM 0 HA ALA A 57 4.742 -1.417 12.235 1.00 0.73 H new ATOM 0 HB1 ALA A 57 6.518 -1.611 10.504 1.00 0.73 H new ATOM 0 HB2 ALA A 57 5.999 -3.214 11.075 1.00 0.73 H new ATOM 0 HB3 ALA A 57 5.429 -2.601 9.505 1.00 0.73 H new ATOM 895 N LEU A 58 3.368 -0.435 9.409 1.00 0.72 N ATOM 896 CA LEU A 58 2.762 0.726 8.746 1.00 0.76 C ATOM 897 C LEU A 58 1.833 1.502 9.694 1.00 1.16 C ATOM 898 O LEU A 58 2.020 2.705 9.871 1.00 1.34 O ATOM 899 CB LEU A 58 2.045 0.273 7.454 1.00 0.80 C ATOM 900 CG LEU A 58 2.999 -0.183 6.323 1.00 1.04 C ATOM 901 CD1 LEU A 58 2.200 -0.873 5.208 1.00 1.26 C ATOM 902 CD2 LEU A 58 3.788 0.987 5.722 1.00 1.43 C ATOM 0 H LEU A 58 3.205 -1.312 8.915 1.00 0.72 H new ATOM 0 HA LEU A 58 3.551 1.424 8.466 1.00 0.76 H new ATOM 0 HB2 LEU A 58 1.369 -0.547 7.696 1.00 0.80 H new ATOM 0 HB3 LEU A 58 1.431 1.095 7.086 1.00 0.80 H new ATOM 0 HG LEU A 58 3.711 -0.879 6.767 1.00 1.04 H new ATOM 0 HD11 LEU A 58 2.879 -1.190 4.417 1.00 1.26 H new ATOM 0 HD12 LEU A 58 1.685 -1.743 5.615 1.00 1.26 H new ATOM 0 HD13 LEU A 58 1.468 -0.176 4.800 1.00 1.26 H new ATOM 0 HD21 LEU A 58 4.443 0.617 4.933 1.00 1.43 H new ATOM 0 HD22 LEU A 58 3.095 1.717 5.305 1.00 1.43 H new ATOM 0 HD23 LEU A 58 4.388 1.459 6.500 1.00 1.43 H new ATOM 914 N LYS A 59 0.883 0.853 10.384 1.00 0.79 N ATOM 915 CA LYS A 59 0.017 1.553 11.350 1.00 0.84 C ATOM 916 C LYS A 59 0.780 2.049 12.598 1.00 0.96 C ATOM 917 O LYS A 59 0.448 3.112 13.128 1.00 1.01 O ATOM 918 CB LYS A 59 -1.269 0.735 11.621 1.00 1.02 C ATOM 919 CG LYS A 59 -1.294 -0.214 12.832 1.00 1.05 C ATOM 920 CD LYS A 59 -1.710 0.491 14.128 1.00 1.36 C ATOM 921 CE LYS A 59 -1.931 -0.516 15.260 1.00 1.00 C ATOM 922 NZ LYS A 59 -2.421 0.154 16.490 1.00 1.34 N ATOM 0 H LYS A 59 0.694 -0.145 10.294 1.00 0.79 H new ATOM 0 HA LYS A 59 -0.326 2.486 10.902 1.00 0.84 H new ATOM 0 HB2 LYS A 59 -2.092 1.440 11.735 1.00 1.02 H new ATOM 0 HB3 LYS A 59 -1.478 0.142 10.731 1.00 1.02 H new ATOM 0 HG2 LYS A 59 -1.984 -1.034 12.632 1.00 1.05 H new ATOM 0 HG3 LYS A 59 -0.306 -0.654 12.964 1.00 1.05 H new ATOM 0 HD2 LYS A 59 -0.941 1.206 14.419 1.00 1.36 H new ATOM 0 HD3 LYS A 59 -2.625 1.058 13.959 1.00 1.36 H new ATOM 0 HE2 LYS A 59 -2.651 -1.270 14.943 1.00 1.00 H new ATOM 0 HE3 LYS A 59 -0.997 -1.036 15.474 1.00 1.00 H new ATOM 0 HZ1 LYS A 59 -3.174 -0.420 16.921 1.00 1.34 H new ATOM 0 HZ2 LYS A 59 -1.636 0.259 17.164 1.00 1.34 H new ATOM 0 HZ3 LYS A 59 -2.797 1.093 16.248 1.00 1.34 H new ATOM 936 N ARG A 60 1.843 1.356 13.032 1.00 0.81 N ATOM 937 CA ARG A 60 2.729 1.834 14.106 1.00 0.84 C ATOM 938 C ARG A 60 3.404 3.165 13.738 1.00 1.29 C ATOM 939 O ARG A 60 3.528 4.022 14.615 1.00 1.33 O ATOM 940 CB ARG A 60 3.783 0.782 14.491 1.00 0.86 C ATOM 941 CG ARG A 60 3.215 -0.505 15.112 1.00 1.16 C ATOM 942 CD ARG A 60 3.357 -0.585 16.636 1.00 1.48 C ATOM 943 NE ARG A 60 2.335 0.209 17.336 1.00 2.60 N ATOM 944 CZ ARG A 60 2.135 0.269 18.644 1.00 3.62 C ATOM 945 NH1 ARG A 60 2.964 -0.300 19.496 1.00 3.56 N ATOM 946 NH2 ARG A 60 1.083 0.911 19.104 1.00 5.12 N ATOM 0 H ARG A 60 2.113 0.450 12.650 1.00 0.81 H new ATOM 0 HA ARG A 60 2.096 2.007 14.976 1.00 0.84 H new ATOM 0 HB2 ARG A 60 4.354 0.518 13.601 1.00 0.86 H new ATOM 0 HB3 ARG A 60 4.482 1.231 15.196 1.00 0.86 H new ATOM 0 HG2 ARG A 60 2.159 -0.585 14.852 1.00 1.16 H new ATOM 0 HG3 ARG A 60 3.719 -1.363 14.666 1.00 1.16 H new ATOM 0 HD2 ARG A 60 3.284 -1.626 16.951 1.00 1.48 H new ATOM 0 HD3 ARG A 60 4.347 -0.234 16.925 1.00 1.48 H new ATOM 0 HE ARG A 60 1.716 0.772 16.753 1.00 2.60 H new ATOM 0 HH11 ARG A 60 3.783 -0.802 19.153 1.00 3.56 H new ATOM 0 HH12 ARG A 60 2.787 -0.239 20.499 1.00 3.56 H new ATOM 0 HH21 ARG A 60 0.433 1.355 18.456 1.00 5.12 H new ATOM 0 HH22 ARG A 60 0.917 0.965 20.109 1.00 5.12 H new ATOM 960 N ALA A 61 3.764 3.386 12.468 1.00 0.85 N ATOM 961 CA ALA A 61 4.277 4.677 12.006 1.00 0.89 C ATOM 962 C ALA A 61 3.236 5.809 12.135 1.00 1.02 C ATOM 963 O ALA A 61 3.567 6.893 12.610 1.00 1.10 O ATOM 964 CB ALA A 61 4.805 4.526 10.571 1.00 0.97 C ATOM 0 H ALA A 61 3.708 2.677 11.736 1.00 0.85 H new ATOM 0 HA ALA A 61 5.102 4.975 12.653 1.00 0.89 H new ATOM 0 HB1 ALA A 61 5.188 5.485 10.222 1.00 0.97 H new ATOM 0 HB2 ALA A 61 5.606 3.787 10.554 1.00 0.97 H new ATOM 0 HB3 ALA A 61 3.996 4.199 9.918 1.00 0.97 H new ATOM 970 N TYR A 62 1.963 5.551 11.813 1.00 0.91 N ATOM 971 CA TYR A 62 0.864 6.516 12.009 1.00 1.02 C ATOM 972 C TYR A 62 0.606 6.829 13.505 1.00 1.22 C ATOM 973 O TYR A 62 0.284 7.964 13.859 1.00 1.46 O ATOM 974 CB TYR A 62 -0.381 5.984 11.275 1.00 1.13 C ATOM 975 CG TYR A 62 -1.614 6.871 11.329 1.00 1.72 C ATOM 976 CD1 TYR A 62 -2.442 6.855 12.468 1.00 3.05 C ATOM 977 CD2 TYR A 62 -1.958 7.682 10.227 1.00 2.61 C ATOM 978 CE1 TYR A 62 -3.593 7.661 12.518 1.00 3.55 C ATOM 979 CE2 TYR A 62 -3.129 8.465 10.257 1.00 3.01 C ATOM 980 CZ TYR A 62 -3.954 8.450 11.407 1.00 2.92 C ATOM 981 OH TYR A 62 -5.096 9.182 11.459 1.00 3.59 O ATOM 0 H TYR A 62 1.661 4.665 11.407 1.00 0.91 H new ATOM 0 HA TYR A 62 1.142 7.479 11.580 1.00 1.02 H new ATOM 0 HB2 TYR A 62 -0.120 5.821 10.229 1.00 1.13 H new ATOM 0 HB3 TYR A 62 -0.638 5.012 11.695 1.00 1.13 H new ATOM 0 HD1 TYR A 62 -2.192 6.221 13.306 1.00 3.05 H new ATOM 0 HD2 TYR A 62 -1.320 7.703 9.356 1.00 2.61 H new ATOM 0 HE1 TYR A 62 -4.202 7.676 13.410 1.00 3.55 H new ATOM 0 HE2 TYR A 62 -3.396 9.074 9.406 1.00 3.01 H new ATOM 0 HH TYR A 62 -5.208 9.673 10.619 1.00 3.59 H new ATOM 991 N GLU A 63 0.820 5.856 14.397 1.00 0.85 N ATOM 992 CA GLU A 63 0.822 6.012 15.864 1.00 1.02 C ATOM 993 C GLU A 63 2.032 6.819 16.386 1.00 1.21 C ATOM 994 O GLU A 63 2.142 7.095 17.579 1.00 1.60 O ATOM 995 CB GLU A 63 0.735 4.644 16.555 1.00 1.18 C ATOM 996 CG GLU A 63 -0.610 3.936 16.351 1.00 1.34 C ATOM 997 CD GLU A 63 -0.544 2.540 16.954 1.00 1.92 C ATOM 998 OE1 GLU A 63 0.203 1.675 16.456 1.00 2.52 O ATOM 999 OE2 GLU A 63 -1.226 2.217 17.945 1.00 2.78 O ATOM 0 H GLU A 63 1.005 4.895 14.109 1.00 0.85 H new ATOM 0 HA GLU A 63 -0.065 6.593 16.117 1.00 1.02 H new ATOM 0 HB2 GLU A 63 1.533 4.005 16.178 1.00 1.18 H new ATOM 0 HB3 GLU A 63 0.909 4.774 17.623 1.00 1.18 H new ATOM 0 HG2 GLU A 63 -1.410 4.509 16.820 1.00 1.34 H new ATOM 0 HG3 GLU A 63 -0.843 3.874 15.288 1.00 1.34 H new ATOM 1006 N LYS A 64 3.036 7.100 15.551 1.00 0.83 N ATOM 1007 CA LYS A 64 4.167 7.979 15.881 1.00 0.93 C ATOM 1008 C LYS A 64 3.935 9.457 15.514 1.00 1.14 C ATOM 1009 O LYS A 64 4.806 10.286 15.773 1.00 1.37 O ATOM 1010 CB LYS A 64 5.452 7.396 15.248 1.00 1.18 C ATOM 1011 CG LYS A 64 6.500 6.969 16.292 1.00 1.44 C ATOM 1012 CD LYS A 64 6.425 5.491 16.714 1.00 2.17 C ATOM 1013 CE LYS A 64 5.049 4.972 17.165 1.00 3.88 C ATOM 1014 NZ LYS A 64 4.474 5.699 18.322 1.00 5.02 N ATOM 0 H LYS A 64 3.089 6.716 14.607 1.00 0.83 H new ATOM 0 HA LYS A 64 4.278 7.998 16.965 1.00 0.93 H new ATOM 0 HB2 LYS A 64 5.189 6.535 14.633 1.00 1.18 H new ATOM 0 HB3 LYS A 64 5.892 8.140 14.583 1.00 1.18 H new ATOM 0 HG2 LYS A 64 7.494 7.168 15.891 1.00 1.44 H new ATOM 0 HG3 LYS A 64 6.384 7.592 17.179 1.00 1.44 H new ATOM 0 HD2 LYS A 64 6.762 4.880 15.876 1.00 2.17 H new ATOM 0 HD3 LYS A 64 7.132 5.333 17.528 1.00 2.17 H new ATOM 0 HE2 LYS A 64 4.355 5.039 16.327 1.00 3.88 H new ATOM 0 HE3 LYS A 64 5.138 3.916 17.421 1.00 3.88 H new ATOM 0 HZ1 LYS A 64 4.355 5.043 19.120 1.00 5.02 H new ATOM 0 HZ2 LYS A 64 5.114 6.470 18.601 1.00 5.02 H new ATOM 0 HZ3 LYS A 64 3.549 6.095 18.058 1.00 5.02 H new ATOM 1028 N LEU A 65 2.785 9.815 14.936 1.00 1.16 N ATOM 1029 CA LEU A 65 2.475 11.173 14.477 1.00 1.39 C ATOM 1030 C LEU A 65 1.510 11.901 15.441 1.00 1.82 C ATOM 1031 O LEU A 65 0.612 11.252 15.972 1.00 1.97 O ATOM 1032 CB LEU A 65 1.849 11.048 13.079 1.00 1.48 C ATOM 1033 CG LEU A 65 2.762 10.470 11.980 1.00 1.25 C ATOM 1034 CD1 LEU A 65 1.947 10.382 10.684 1.00 1.50 C ATOM 1035 CD2 LEU A 65 4.022 11.318 11.755 1.00 1.85 C ATOM 0 H LEU A 65 2.026 9.154 14.770 1.00 1.16 H new ATOM 0 HA LEU A 65 3.387 11.769 14.447 1.00 1.39 H new ATOM 0 HB2 LEU A 65 0.962 10.419 13.155 1.00 1.48 H new ATOM 0 HB3 LEU A 65 1.514 12.036 12.763 1.00 1.48 H new ATOM 0 HG LEU A 65 3.105 9.485 12.296 1.00 1.25 H new ATOM 0 HD11 LEU A 65 2.571 9.975 9.889 1.00 1.50 H new ATOM 0 HD12 LEU A 65 1.086 9.731 10.839 1.00 1.50 H new ATOM 0 HD13 LEU A 65 1.603 11.377 10.402 1.00 1.50 H new ATOM 0 HD21 LEU A 65 4.630 10.866 10.971 1.00 1.85 H new ATOM 0 HD22 LEU A 65 3.734 12.326 11.455 1.00 1.85 H new ATOM 0 HD23 LEU A 65 4.599 11.365 12.679 1.00 1.85 H new ATOM 1047 N PRO A 66 1.631 13.232 15.643 1.00 1.78 N ATOM 1048 CA PRO A 66 0.580 14.029 16.272 1.00 2.09 C ATOM 1049 C PRO A 66 -0.624 14.139 15.328 1.00 2.04 C ATOM 1050 O PRO A 66 -0.439 14.001 14.114 1.00 1.64 O ATOM 1051 CB PRO A 66 1.194 15.411 16.520 1.00 2.41 C ATOM 1052 CG PRO A 66 2.232 15.540 15.408 1.00 2.29 C ATOM 1053 CD PRO A 66 2.707 14.103 15.193 1.00 1.98 C ATOM 0 HA PRO A 66 0.228 13.579 17.201 1.00 2.09 H new ATOM 0 HB2 PRO A 66 0.444 16.200 16.464 1.00 2.41 H new ATOM 0 HB3 PRO A 66 1.652 15.476 17.507 1.00 2.41 H new ATOM 0 HG2 PRO A 66 1.798 15.959 14.500 1.00 2.29 H new ATOM 0 HG3 PRO A 66 3.053 16.195 15.700 1.00 2.29 H new ATOM 0 HD2 PRO A 66 2.935 13.924 14.142 1.00 1.98 H new ATOM 0 HD3 PRO A 66 3.621 13.910 15.755 1.00 1.98 H new ATOM 1061 N PRO A 67 -1.822 14.487 15.834 1.00 1.97 N ATOM 1062 CA PRO A 67 -3.013 14.658 15.007 1.00 1.95 C ATOM 1063 C PRO A 67 -2.804 15.642 13.852 1.00 1.86 C ATOM 1064 O PRO A 67 -3.346 15.420 12.772 1.00 1.71 O ATOM 1065 CB PRO A 67 -4.134 15.091 15.960 1.00 2.35 C ATOM 1066 CG PRO A 67 -3.403 15.607 17.196 1.00 2.57 C ATOM 1067 CD PRO A 67 -2.140 14.751 17.228 1.00 2.36 C ATOM 0 HA PRO A 67 -3.269 13.725 14.506 1.00 1.95 H new ATOM 0 HB2 PRO A 67 -4.757 15.866 15.514 1.00 2.35 H new ATOM 0 HB3 PRO A 67 -4.791 14.257 16.206 1.00 2.35 H new ATOM 0 HG2 PRO A 67 -3.169 16.668 17.113 1.00 2.57 H new ATOM 0 HG3 PRO A 67 -3.999 15.481 18.100 1.00 2.57 H new ATOM 0 HD2 PRO A 67 -1.323 15.273 17.726 1.00 2.36 H new ATOM 0 HD3 PRO A 67 -2.307 13.824 17.776 1.00 2.36 H new ATOM 1075 N LYS A 68 -1.959 16.673 14.005 1.00 1.87 N ATOM 1076 CA LYS A 68 -1.776 17.640 12.912 1.00 1.84 C ATOM 1077 C LYS A 68 -0.844 17.140 11.802 1.00 1.75 C ATOM 1078 O LYS A 68 -0.888 17.692 10.707 1.00 1.69 O ATOM 1079 CB LYS A 68 -1.348 19.021 13.448 1.00 2.21 C ATOM 1080 CG LYS A 68 -2.516 20.021 13.583 1.00 2.77 C ATOM 1081 CD LYS A 68 -3.292 20.361 12.291 1.00 2.91 C ATOM 1082 CE LYS A 68 -2.391 20.781 11.115 1.00 2.86 C ATOM 1083 NZ LYS A 68 -3.184 21.202 9.932 1.00 3.37 N ATOM 0 H LYS A 68 -1.409 16.856 14.844 1.00 1.87 H new ATOM 0 HA LYS A 68 -2.753 17.753 12.441 1.00 1.84 H new ATOM 0 HB2 LYS A 68 -0.876 18.893 14.422 1.00 2.21 H new ATOM 0 HB3 LYS A 68 -0.595 19.442 12.782 1.00 2.21 H new ATOM 0 HG2 LYS A 68 -3.224 19.622 14.310 1.00 2.77 H new ATOM 0 HG3 LYS A 68 -2.123 20.949 13.998 1.00 2.77 H new ATOM 0 HD2 LYS A 68 -3.881 19.493 11.993 1.00 2.91 H new ATOM 0 HD3 LYS A 68 -3.996 21.166 12.503 1.00 2.91 H new ATOM 0 HE2 LYS A 68 -1.744 21.600 11.428 1.00 2.86 H new ATOM 0 HE3 LYS A 68 -1.742 19.949 10.840 1.00 2.86 H new ATOM 0 HZ1 LYS A 68 -2.638 21.890 9.375 1.00 3.37 H new ATOM 0 HZ2 LYS A 68 -3.398 20.371 9.344 1.00 3.37 H new ATOM 0 HZ3 LYS A 68 -4.073 21.640 10.248 1.00 3.37 H new ATOM 1097 N ALA A 69 0.013 16.149 12.059 1.00 1.53 N ATOM 1098 CA ALA A 69 0.637 15.349 11.004 1.00 1.38 C ATOM 1099 C ALA A 69 -0.259 14.225 10.454 1.00 1.24 C ATOM 1100 O ALA A 69 -0.273 14.028 9.243 1.00 1.26 O ATOM 1101 CB ALA A 69 1.996 14.847 11.482 1.00 1.47 C ATOM 0 H ALA A 69 0.293 15.880 13.002 1.00 1.53 H new ATOM 0 HA ALA A 69 0.787 16.001 10.143 1.00 1.38 H new ATOM 0 HB1 ALA A 69 2.461 14.251 10.696 1.00 1.47 H new ATOM 0 HB2 ALA A 69 2.635 15.697 11.719 1.00 1.47 H new ATOM 0 HB3 ALA A 69 1.864 14.233 12.373 1.00 1.47 H new ATOM 1107 N GLN A 70 -1.002 13.510 11.313 1.00 1.07 N ATOM 1108 CA GLN A 70 -1.910 12.424 10.912 1.00 1.03 C ATOM 1109 C GLN A 70 -2.913 12.909 9.861 1.00 1.09 C ATOM 1110 O GLN A 70 -3.107 12.222 8.866 1.00 1.30 O ATOM 1111 CB GLN A 70 -2.651 11.870 12.144 1.00 1.21 C ATOM 1112 CG GLN A 70 -1.752 11.032 13.072 1.00 2.02 C ATOM 1113 CD GLN A 70 -2.408 10.627 14.395 1.00 2.36 C ATOM 1114 OE1 GLN A 70 -3.294 11.289 14.906 1.00 2.50 O ATOM 1115 NE2 GLN A 70 -1.976 9.551 15.022 1.00 3.52 N ATOM 0 H GLN A 70 -0.989 13.672 12.320 1.00 1.07 H new ATOM 0 HA GLN A 70 -1.315 11.626 10.469 1.00 1.03 H new ATOM 0 HB2 GLN A 70 -3.071 12.701 12.710 1.00 1.21 H new ATOM 0 HB3 GLN A 70 -3.488 11.257 11.810 1.00 1.21 H new ATOM 0 HG2 GLN A 70 -1.445 10.130 12.542 1.00 2.02 H new ATOM 0 HG3 GLN A 70 -0.846 11.599 13.288 1.00 2.02 H new ATOM 0 HE21 GLN A 70 -1.235 8.984 14.610 1.00 3.52 H new ATOM 0 HE22 GLN A 70 -2.383 9.286 15.919 1.00 3.52 H new ATOM 1124 N GLU A 71 -3.467 14.117 10.022 1.00 1.26 N ATOM 1125 CA GLU A 71 -4.443 14.736 9.109 1.00 1.43 C ATOM 1126 C GLU A 71 -4.043 14.782 7.626 1.00 1.47 C ATOM 1127 O GLU A 71 -4.917 14.888 6.761 1.00 1.74 O ATOM 1128 CB GLU A 71 -4.735 16.158 9.601 1.00 1.86 C ATOM 1129 CG GLU A 71 -3.656 17.208 9.292 1.00 1.63 C ATOM 1130 CD GLU A 71 -4.073 18.171 8.181 1.00 2.51 C ATOM 1131 OE1 GLU A 71 -3.951 17.817 6.987 1.00 3.73 O ATOM 1132 OE2 GLU A 71 -4.460 19.302 8.554 1.00 3.01 O ATOM 0 H GLU A 71 -3.242 14.713 10.818 1.00 1.26 H new ATOM 0 HA GLU A 71 -5.322 14.091 9.138 1.00 1.43 H new ATOM 0 HB2 GLU A 71 -5.675 16.489 9.159 1.00 1.86 H new ATOM 0 HB3 GLU A 71 -4.885 16.125 10.680 1.00 1.86 H new ATOM 0 HG2 GLU A 71 -3.437 17.776 10.196 1.00 1.63 H new ATOM 0 HG3 GLU A 71 -2.735 16.702 9.002 1.00 1.63 H new ATOM 1139 N ARG A 72 -2.737 14.724 7.329 1.00 1.21 N ATOM 1140 CA ARG A 72 -2.210 14.696 5.978 1.00 1.30 C ATOM 1141 C ARG A 72 -1.632 13.343 5.557 1.00 1.38 C ATOM 1142 O ARG A 72 -1.038 13.282 4.483 1.00 1.69 O ATOM 1143 CB ARG A 72 -1.409 15.970 5.653 1.00 1.91 C ATOM 1144 CG ARG A 72 -0.218 16.323 6.549 1.00 1.55 C ATOM 1145 CD ARG A 72 1.053 15.647 6.042 1.00 1.40 C ATOM 1146 NE ARG A 72 1.578 16.303 4.817 1.00 2.34 N ATOM 1147 CZ ARG A 72 2.858 16.532 4.520 1.00 3.29 C ATOM 1148 NH1 ARG A 72 3.835 16.196 5.324 1.00 4.06 N ATOM 1149 NH2 ARG A 72 3.240 17.120 3.409 1.00 4.20 N ATOM 0 H ARG A 72 -2.011 14.695 8.045 1.00 1.21 H new ATOM 0 HA ARG A 72 -3.046 14.754 5.281 1.00 1.30 H new ATOM 0 HB2 ARG A 72 -1.042 15.881 4.631 1.00 1.91 H new ATOM 0 HB3 ARG A 72 -2.101 16.812 5.671 1.00 1.91 H new ATOM 0 HG2 ARG A 72 -0.079 17.404 6.569 1.00 1.55 H new ATOM 0 HG3 ARG A 72 -0.420 16.009 7.573 1.00 1.55 H new ATOM 0 HD2 ARG A 72 1.814 15.673 6.822 1.00 1.40 H new ATOM 0 HD3 ARG A 72 0.847 14.597 5.832 1.00 1.40 H new ATOM 0 HE ARG A 72 0.888 16.610 4.132 1.00 2.34 H new ATOM 0 HH11 ARG A 72 3.630 15.742 6.214 1.00 4.06 H new ATOM 0 HH12 ARG A 72 4.801 16.388 5.060 1.00 4.06 H new ATOM 0 HH21 ARG A 72 2.544 17.424 2.728 1.00 4.20 H new ATOM 0 HH22 ARG A 72 4.232 17.273 3.228 1.00 4.20 H new ATOM 1163 N VAL A 73 -1.810 12.288 6.360 1.00 1.04 N ATOM 1164 CA VAL A 73 -1.279 10.934 6.130 1.00 1.04 C ATOM 1165 C VAL A 73 -2.429 9.921 6.078 1.00 1.21 C ATOM 1166 O VAL A 73 -3.269 9.877 6.975 1.00 1.45 O ATOM 1167 CB VAL A 73 -0.254 10.529 7.225 1.00 1.22 C ATOM 1168 CG1 VAL A 73 0.297 9.109 7.004 1.00 1.33 C ATOM 1169 CG2 VAL A 73 0.945 11.496 7.252 1.00 2.27 C ATOM 0 H VAL A 73 -2.349 12.354 7.223 1.00 1.04 H new ATOM 0 HA VAL A 73 -0.757 10.936 5.173 1.00 1.04 H new ATOM 0 HB VAL A 73 -0.796 10.568 8.170 1.00 1.22 H new ATOM 0 HG11 VAL A 73 1.010 8.868 7.793 1.00 1.33 H new ATOM 0 HG12 VAL A 73 -0.524 8.393 7.026 1.00 1.33 H new ATOM 0 HG13 VAL A 73 0.796 9.059 6.036 1.00 1.33 H new ATOM 0 HG21 VAL A 73 1.645 11.186 8.028 1.00 2.27 H new ATOM 0 HG22 VAL A 73 1.447 11.481 6.284 1.00 2.27 H new ATOM 0 HG23 VAL A 73 0.593 12.506 7.462 1.00 2.27 H new ATOM 1179 N GLN A 74 -2.442 9.070 5.051 1.00 0.85 N ATOM 1180 CA GLN A 74 -3.396 7.971 4.896 1.00 0.82 C ATOM 1181 C GLN A 74 -2.661 6.685 4.480 1.00 1.06 C ATOM 1182 O GLN A 74 -1.536 6.751 3.988 1.00 1.42 O ATOM 1183 CB GLN A 74 -4.461 8.365 3.847 1.00 0.87 C ATOM 1184 CG GLN A 74 -5.894 7.990 4.260 1.00 1.36 C ATOM 1185 CD GLN A 74 -6.388 8.847 5.427 1.00 2.25 C ATOM 1186 OE1 GLN A 74 -6.402 10.061 5.374 1.00 2.93 O ATOM 1187 NE2 GLN A 74 -6.780 8.269 6.542 1.00 3.39 N ATOM 0 H GLN A 74 -1.772 9.128 4.284 1.00 0.85 H new ATOM 0 HA GLN A 74 -3.893 7.779 5.847 1.00 0.82 H new ATOM 0 HB2 GLN A 74 -4.410 9.440 3.675 1.00 0.87 H new ATOM 0 HB3 GLN A 74 -4.225 7.879 2.900 1.00 0.87 H new ATOM 0 HG2 GLN A 74 -6.563 8.114 3.408 1.00 1.36 H new ATOM 0 HG3 GLN A 74 -5.928 6.937 4.541 1.00 1.36 H new ATOM 0 HE21 GLN A 74 -6.779 7.252 6.617 1.00 3.39 H new ATOM 0 HE22 GLN A 74 -7.085 8.838 7.332 1.00 3.39 H new ATOM 1196 N VAL A 75 -3.303 5.522 4.634 1.00 0.76 N ATOM 1197 CA VAL A 75 -2.804 4.250 4.083 1.00 0.73 C ATOM 1198 C VAL A 75 -3.936 3.559 3.324 1.00 0.91 C ATOM 1199 O VAL A 75 -5.056 3.459 3.829 1.00 1.16 O ATOM 1200 CB VAL A 75 -2.248 3.306 5.174 1.00 0.77 C ATOM 1201 CG1 VAL A 75 -1.587 2.063 4.546 1.00 0.84 C ATOM 1202 CG2 VAL A 75 -1.231 4.004 6.092 1.00 1.05 C ATOM 0 H VAL A 75 -4.182 5.432 5.143 1.00 0.76 H new ATOM 0 HA VAL A 75 -1.976 4.479 3.412 1.00 0.73 H new ATOM 0 HB VAL A 75 -3.103 3.004 5.778 1.00 0.77 H new ATOM 0 HG11 VAL A 75 -1.205 1.416 5.336 1.00 0.84 H new ATOM 0 HG12 VAL A 75 -2.324 1.518 3.956 1.00 0.84 H new ATOM 0 HG13 VAL A 75 -0.765 2.374 3.902 1.00 0.84 H new ATOM 0 HG21 VAL A 75 -0.871 3.298 6.840 1.00 1.05 H new ATOM 0 HG22 VAL A 75 -0.390 4.362 5.498 1.00 1.05 H new ATOM 0 HG23 VAL A 75 -1.709 4.848 6.590 1.00 1.05 H new ATOM 1212 N ILE A 76 -3.629 3.120 2.100 1.00 0.75 N ATOM 1213 CA ILE A 76 -4.534 2.387 1.217 1.00 0.73 C ATOM 1214 C ILE A 76 -3.965 0.987 0.965 1.00 0.87 C ATOM 1215 O ILE A 76 -2.873 0.806 0.421 1.00 1.03 O ATOM 1216 CB ILE A 76 -4.809 3.178 -0.086 1.00 0.80 C ATOM 1217 CG1 ILE A 76 -5.619 4.474 0.176 1.00 1.07 C ATOM 1218 CG2 ILE A 76 -5.619 2.311 -1.069 1.00 0.78 C ATOM 1219 CD1 ILE A 76 -4.779 5.720 0.481 1.00 2.02 C ATOM 0 H ILE A 76 -2.710 3.272 1.684 1.00 0.75 H new ATOM 0 HA ILE A 76 -5.506 2.269 1.697 1.00 0.73 H new ATOM 0 HB ILE A 76 -3.837 3.443 -0.502 1.00 0.80 H new ATOM 0 HG12 ILE A 76 -6.239 4.678 -0.697 1.00 1.07 H new ATOM 0 HG13 ILE A 76 -6.295 4.298 1.013 1.00 1.07 H new ATOM 0 HG21 ILE A 76 -5.807 2.876 -1.982 1.00 0.78 H new ATOM 0 HG22 ILE A 76 -5.055 1.410 -1.310 1.00 0.78 H new ATOM 0 HG23 ILE A 76 -6.569 2.033 -0.612 1.00 0.78 H new ATOM 0 HD11 ILE A 76 -5.439 6.571 0.649 1.00 2.02 H new ATOM 0 HD12 ILE A 76 -4.179 5.545 1.374 1.00 2.02 H new ATOM 0 HD13 ILE A 76 -4.122 5.931 -0.363 1.00 2.02 H new ATOM 1231 N PHE A 77 -4.757 -0.019 1.326 1.00 0.71 N ATOM 1232 CA PHE A 77 -4.474 -1.422 1.071 1.00 0.71 C ATOM 1233 C PHE A 77 -5.189 -1.830 -0.219 1.00 1.56 C ATOM 1234 O PHE A 77 -6.348 -1.481 -0.426 1.00 2.06 O ATOM 1235 CB PHE A 77 -4.951 -2.262 2.266 1.00 0.76 C ATOM 1236 CG PHE A 77 -4.866 -3.759 2.032 1.00 0.86 C ATOM 1237 CD1 PHE A 77 -3.644 -4.426 2.233 1.00 1.89 C ATOM 1238 CD2 PHE A 77 -5.985 -4.477 1.567 1.00 1.95 C ATOM 1239 CE1 PHE A 77 -3.542 -5.805 1.977 1.00 1.63 C ATOM 1240 CE2 PHE A 77 -5.878 -5.853 1.295 1.00 2.08 C ATOM 1241 CZ PHE A 77 -4.658 -6.519 1.501 1.00 1.05 C ATOM 0 H PHE A 77 -5.638 0.127 1.818 1.00 0.71 H new ATOM 0 HA PHE A 77 -3.404 -1.589 0.950 1.00 0.71 H new ATOM 0 HB2 PHE A 77 -4.353 -2.005 3.141 1.00 0.76 H new ATOM 0 HB3 PHE A 77 -5.983 -1.997 2.496 1.00 0.76 H new ATOM 0 HD1 PHE A 77 -2.782 -3.878 2.585 1.00 1.89 H new ATOM 0 HD2 PHE A 77 -6.927 -3.970 1.419 1.00 1.95 H new ATOM 0 HE1 PHE A 77 -2.606 -6.317 2.146 1.00 1.63 H new ATOM 0 HE2 PHE A 77 -6.735 -6.398 0.927 1.00 2.08 H new ATOM 0 HZ PHE A 77 -4.577 -7.576 1.295 1.00 1.05 H new ATOM 1251 N VAL A 78 -4.493 -2.562 -1.082 1.00 0.55 N ATOM 1252 CA VAL A 78 -5.015 -3.014 -2.380 1.00 0.55 C ATOM 1253 C VAL A 78 -4.845 -4.525 -2.519 1.00 0.80 C ATOM 1254 O VAL A 78 -3.780 -5.075 -2.245 1.00 1.04 O ATOM 1255 CB VAL A 78 -4.365 -2.254 -3.559 1.00 0.69 C ATOM 1256 CG1 VAL A 78 -4.925 -2.731 -4.911 1.00 0.93 C ATOM 1257 CG2 VAL A 78 -4.625 -0.741 -3.445 1.00 1.28 C ATOM 0 H VAL A 78 -3.536 -2.866 -0.903 1.00 0.55 H new ATOM 0 HA VAL A 78 -6.080 -2.785 -2.415 1.00 0.55 H new ATOM 0 HB VAL A 78 -3.295 -2.458 -3.512 1.00 0.69 H new ATOM 0 HG11 VAL A 78 -4.447 -2.177 -5.719 1.00 0.93 H new ATOM 0 HG12 VAL A 78 -4.724 -3.795 -5.033 1.00 0.93 H new ATOM 0 HG13 VAL A 78 -6.001 -2.559 -4.940 1.00 0.93 H new ATOM 0 HG21 VAL A 78 -4.158 -0.227 -4.285 1.00 1.28 H new ATOM 0 HG22 VAL A 78 -5.699 -0.554 -3.457 1.00 1.28 H new ATOM 0 HG23 VAL A 78 -4.202 -0.368 -2.512 1.00 1.28 H new ATOM 1267 N SER A 79 -5.918 -5.188 -2.947 1.00 0.54 N ATOM 1268 CA SER A 79 -5.969 -6.627 -3.240 1.00 0.63 C ATOM 1269 C SER A 79 -5.039 -7.062 -4.386 1.00 0.88 C ATOM 1270 O SER A 79 -5.063 -6.455 -5.454 1.00 1.22 O ATOM 1271 CB SER A 79 -7.380 -7.000 -3.700 1.00 1.30 C ATOM 1272 OG SER A 79 -7.710 -6.262 -4.867 1.00 3.03 O ATOM 0 H SER A 79 -6.812 -4.724 -3.107 1.00 0.54 H new ATOM 0 HA SER A 79 -5.661 -7.120 -2.318 1.00 0.63 H new ATOM 0 HB2 SER A 79 -7.436 -8.069 -3.905 1.00 1.30 H new ATOM 0 HB3 SER A 79 -8.099 -6.789 -2.909 1.00 1.30 H new ATOM 0 HG SER A 79 -6.901 -6.115 -5.401 1.00 3.03 H new ATOM 1278 N VAL A 80 -4.338 -8.185 -4.231 1.00 0.84 N ATOM 1279 CA VAL A 80 -3.525 -8.819 -5.307 1.00 1.00 C ATOM 1280 C VAL A 80 -4.184 -10.051 -5.956 1.00 1.34 C ATOM 1281 O VAL A 80 -3.603 -10.638 -6.867 1.00 1.68 O ATOM 1282 CB VAL A 80 -2.099 -9.172 -4.832 1.00 1.13 C ATOM 1283 CG1 VAL A 80 -1.344 -7.917 -4.369 1.00 2.49 C ATOM 1284 CG2 VAL A 80 -2.134 -10.251 -3.739 1.00 2.08 C ATOM 0 H VAL A 80 -4.308 -8.698 -3.350 1.00 0.84 H new ATOM 0 HA VAL A 80 -3.462 -8.053 -6.080 1.00 1.00 H new ATOM 0 HB VAL A 80 -1.552 -9.585 -5.680 1.00 1.13 H new ATOM 0 HG11 VAL A 80 -0.343 -8.195 -4.040 1.00 2.49 H new ATOM 0 HG12 VAL A 80 -1.271 -7.211 -5.196 1.00 2.49 H new ATOM 0 HG13 VAL A 80 -1.882 -7.453 -3.542 1.00 2.49 H new ATOM 0 HG21 VAL A 80 -1.117 -10.481 -3.422 1.00 2.08 H new ATOM 0 HG22 VAL A 80 -2.706 -9.886 -2.886 1.00 2.08 H new ATOM 0 HG23 VAL A 80 -2.604 -11.152 -4.132 1.00 2.08 H new ATOM 1294 N ASP A 81 -5.382 -10.446 -5.505 1.00 0.92 N ATOM 1295 CA ASP A 81 -6.168 -11.545 -6.081 1.00 0.98 C ATOM 1296 C ASP A 81 -7.678 -11.247 -5.960 1.00 1.13 C ATOM 1297 O ASP A 81 -8.347 -11.788 -5.081 1.00 1.26 O ATOM 1298 CB ASP A 81 -5.761 -12.881 -5.422 1.00 1.11 C ATOM 1299 CG ASP A 81 -6.330 -14.105 -6.158 1.00 1.66 C ATOM 1300 OD1 ASP A 81 -6.381 -14.068 -7.413 1.00 2.63 O ATOM 1301 OD2 ASP A 81 -6.652 -15.107 -5.486 1.00 2.49 O ATOM 0 H ASP A 81 -5.842 -10.000 -4.711 1.00 0.92 H new ATOM 0 HA ASP A 81 -5.955 -11.635 -7.146 1.00 0.98 H new ATOM 0 HB2 ASP A 81 -4.674 -12.952 -5.396 1.00 1.11 H new ATOM 0 HB3 ASP A 81 -6.106 -12.891 -4.388 1.00 1.11 H new ATOM 1306 N PRO A 82 -8.253 -10.373 -6.817 1.00 1.12 N ATOM 1307 CA PRO A 82 -9.670 -9.995 -6.747 1.00 1.22 C ATOM 1308 C PRO A 82 -10.630 -11.155 -7.069 1.00 1.33 C ATOM 1309 O PRO A 82 -11.821 -11.061 -6.787 1.00 1.60 O ATOM 1310 CB PRO A 82 -9.825 -8.834 -7.731 1.00 1.56 C ATOM 1311 CG PRO A 82 -8.723 -9.087 -8.758 1.00 1.71 C ATOM 1312 CD PRO A 82 -7.594 -9.673 -7.912 1.00 1.45 C ATOM 0 HA PRO A 82 -9.941 -9.710 -5.730 1.00 1.22 H new ATOM 0 HB2 PRO A 82 -10.812 -8.829 -8.194 1.00 1.56 H new ATOM 0 HB3 PRO A 82 -9.700 -7.870 -7.237 1.00 1.56 H new ATOM 0 HG2 PRO A 82 -9.047 -9.780 -9.535 1.00 1.71 H new ATOM 0 HG3 PRO A 82 -8.418 -8.168 -9.258 1.00 1.71 H new ATOM 0 HD2 PRO A 82 -6.977 -10.354 -8.498 1.00 1.45 H new ATOM 0 HD3 PRO A 82 -6.936 -8.889 -7.537 1.00 1.45 H new ATOM 1320 N GLU A 83 -10.108 -12.271 -7.588 1.00 1.25 N ATOM 1321 CA GLU A 83 -10.787 -13.565 -7.728 1.00 1.45 C ATOM 1322 C GLU A 83 -11.177 -14.198 -6.372 1.00 1.43 C ATOM 1323 O GLU A 83 -11.900 -15.200 -6.324 1.00 1.83 O ATOM 1324 CB GLU A 83 -9.791 -14.464 -8.472 1.00 1.77 C ATOM 1325 CG GLU A 83 -10.399 -15.631 -9.251 1.00 1.80 C ATOM 1326 CD GLU A 83 -9.239 -16.437 -9.809 1.00 2.17 C ATOM 1327 OE1 GLU A 83 -8.601 -15.995 -10.795 1.00 2.64 O ATOM 1328 OE2 GLU A 83 -8.810 -17.391 -9.127 1.00 2.95 O ATOM 0 H GLU A 83 -9.151 -12.298 -7.940 1.00 1.25 H new ATOM 0 HA GLU A 83 -11.729 -13.440 -8.262 1.00 1.45 H new ATOM 0 HB2 GLU A 83 -9.222 -13.846 -9.166 1.00 1.77 H new ATOM 0 HB3 GLU A 83 -9.082 -14.866 -7.748 1.00 1.77 H new ATOM 0 HG2 GLU A 83 -11.021 -16.247 -8.602 1.00 1.80 H new ATOM 0 HG3 GLU A 83 -11.039 -15.268 -10.055 1.00 1.80 H new ATOM 1335 N ARG A 84 -10.674 -13.632 -5.264 1.00 1.11 N ATOM 1336 CA ARG A 84 -10.806 -14.168 -3.909 1.00 1.12 C ATOM 1337 C ARG A 84 -10.730 -13.118 -2.785 1.00 1.32 C ATOM 1338 O ARG A 84 -11.095 -13.433 -1.653 1.00 1.52 O ATOM 1339 CB ARG A 84 -9.741 -15.269 -3.739 1.00 1.27 C ATOM 1340 CG ARG A 84 -10.084 -16.212 -2.576 1.00 1.76 C ATOM 1341 CD ARG A 84 -9.564 -17.635 -2.833 1.00 2.07 C ATOM 1342 NE ARG A 84 -10.333 -18.628 -2.058 1.00 2.72 N ATOM 1343 CZ ARG A 84 -11.588 -18.994 -2.313 1.00 3.50 C ATOM 1344 NH1 ARG A 84 -12.267 -18.516 -3.338 1.00 4.15 N ATOM 1345 NH2 ARG A 84 -12.194 -19.856 -1.523 1.00 4.59 N ATOM 0 H ARG A 84 -10.147 -12.759 -5.293 1.00 1.11 H new ATOM 0 HA ARG A 84 -11.813 -14.573 -3.805 1.00 1.12 H new ATOM 0 HB2 ARG A 84 -9.660 -15.843 -4.662 1.00 1.27 H new ATOM 0 HB3 ARG A 84 -8.768 -14.811 -3.562 1.00 1.27 H new ATOM 0 HG2 ARG A 84 -9.651 -15.826 -1.653 1.00 1.76 H new ATOM 0 HG3 ARG A 84 -11.164 -16.238 -2.434 1.00 1.76 H new ATOM 0 HD2 ARG A 84 -9.634 -17.865 -3.896 1.00 2.07 H new ATOM 0 HD3 ARG A 84 -8.510 -17.695 -2.563 1.00 2.07 H new ATOM 0 HE ARG A 84 -9.867 -19.069 -1.265 1.00 2.72 H new ATOM 0 HH11 ARG A 84 -11.832 -17.842 -3.968 1.00 4.15 H new ATOM 0 HH12 ARG A 84 -13.227 -18.821 -3.501 1.00 4.15 H new ATOM 0 HH21 ARG A 84 -11.702 -20.242 -0.717 1.00 4.59 H new ATOM 0 HH22 ARG A 84 -13.155 -20.137 -1.717 1.00 4.59 H new ATOM 1359 N ASP A 85 -10.289 -11.890 -3.065 1.00 0.92 N ATOM 1360 CA ASP A 85 -10.107 -10.799 -2.092 1.00 0.89 C ATOM 1361 C ASP A 85 -11.083 -9.622 -2.360 1.00 1.10 C ATOM 1362 O ASP A 85 -10.680 -8.605 -2.935 1.00 1.34 O ATOM 1363 CB ASP A 85 -8.620 -10.368 -2.147 1.00 1.00 C ATOM 1364 CG ASP A 85 -8.077 -9.767 -0.854 1.00 1.46 C ATOM 1365 OD1 ASP A 85 -8.846 -9.645 0.121 1.00 2.25 O ATOM 1366 OD2 ASP A 85 -6.852 -9.513 -0.796 1.00 2.45 O ATOM 0 H ASP A 85 -10.037 -11.612 -4.014 1.00 0.92 H new ATOM 0 HA ASP A 85 -10.348 -11.142 -1.086 1.00 0.89 H new ATOM 0 HB2 ASP A 85 -8.015 -11.236 -2.409 1.00 1.00 H new ATOM 0 HB3 ASP A 85 -8.497 -9.640 -2.949 1.00 1.00 H new ATOM 1371 N PRO A 86 -12.387 -9.756 -2.039 1.00 0.76 N ATOM 1372 CA PRO A 86 -13.412 -8.770 -2.390 1.00 0.90 C ATOM 1373 C PRO A 86 -13.341 -7.527 -1.476 1.00 1.04 C ATOM 1374 O PRO A 86 -12.830 -7.624 -0.356 1.00 0.84 O ATOM 1375 CB PRO A 86 -14.737 -9.528 -2.270 1.00 0.91 C ATOM 1376 CG PRO A 86 -14.464 -10.512 -1.140 1.00 0.84 C ATOM 1377 CD PRO A 86 -13.013 -10.909 -1.402 1.00 0.75 C ATOM 0 HA PRO A 86 -13.280 -8.369 -3.395 1.00 0.90 H new ATOM 0 HB2 PRO A 86 -15.565 -8.860 -2.033 1.00 0.91 H new ATOM 0 HB3 PRO A 86 -14.996 -10.039 -3.197 1.00 0.91 H new ATOM 0 HG2 PRO A 86 -14.590 -10.052 -0.160 1.00 0.84 H new ATOM 0 HG3 PRO A 86 -15.134 -11.371 -1.177 1.00 0.84 H new ATOM 0 HD2 PRO A 86 -12.505 -11.164 -0.472 1.00 0.75 H new ATOM 0 HD3 PRO A 86 -12.959 -11.787 -2.046 1.00 0.75 H new ATOM 1385 N PRO A 87 -13.846 -6.354 -1.920 1.00 0.64 N ATOM 1386 CA PRO A 87 -13.549 -5.056 -1.304 1.00 0.75 C ATOM 1387 C PRO A 87 -14.033 -4.916 0.143 1.00 1.02 C ATOM 1388 O PRO A 87 -13.406 -4.190 0.907 1.00 1.03 O ATOM 1389 CB PRO A 87 -14.177 -3.997 -2.218 1.00 0.86 C ATOM 1390 CG PRO A 87 -15.264 -4.760 -2.973 1.00 0.80 C ATOM 1391 CD PRO A 87 -14.672 -6.162 -3.105 1.00 0.66 C ATOM 0 HA PRO A 87 -12.469 -4.936 -1.221 1.00 0.75 H new ATOM 0 HB2 PRO A 87 -14.595 -3.171 -1.643 1.00 0.86 H new ATOM 0 HB3 PRO A 87 -13.441 -3.571 -2.900 1.00 0.86 H new ATOM 0 HG2 PRO A 87 -16.206 -4.770 -2.424 1.00 0.80 H new ATOM 0 HG3 PRO A 87 -15.467 -4.315 -3.947 1.00 0.80 H new ATOM 0 HD2 PRO A 87 -15.458 -6.915 -3.161 1.00 0.66 H new ATOM 0 HD3 PRO A 87 -14.079 -6.252 -4.015 1.00 0.66 H new ATOM 1399 N GLU A 88 -15.086 -5.629 0.554 1.00 0.62 N ATOM 1400 CA GLU A 88 -15.543 -5.675 1.948 1.00 0.67 C ATOM 1401 C GLU A 88 -14.545 -6.419 2.850 1.00 0.96 C ATOM 1402 O GLU A 88 -14.304 -5.997 3.980 1.00 1.17 O ATOM 1403 CB GLU A 88 -16.925 -6.355 2.088 1.00 0.78 C ATOM 1404 CG GLU A 88 -17.943 -6.124 0.959 1.00 1.63 C ATOM 1405 CD GLU A 88 -17.817 -7.205 -0.119 1.00 3.45 C ATOM 1406 OE1 GLU A 88 -16.863 -7.096 -0.925 1.00 4.64 O ATOM 1407 OE2 GLU A 88 -18.637 -8.145 -0.091 1.00 4.19 O ATOM 0 H GLU A 88 -15.651 -6.197 -0.077 1.00 0.62 H new ATOM 0 HA GLU A 88 -15.621 -4.635 2.266 1.00 0.67 H new ATOM 0 HB2 GLU A 88 -16.764 -7.429 2.183 1.00 0.78 H new ATOM 0 HB3 GLU A 88 -17.374 -6.016 3.022 1.00 0.78 H new ATOM 0 HG2 GLU A 88 -18.953 -6.129 1.368 1.00 1.63 H new ATOM 0 HG3 GLU A 88 -17.783 -5.141 0.515 1.00 1.63 H new ATOM 1414 N VAL A 89 -13.968 -7.518 2.351 1.00 0.66 N ATOM 1415 CA VAL A 89 -12.969 -8.331 3.070 1.00 0.70 C ATOM 1416 C VAL A 89 -11.614 -7.615 3.135 1.00 1.05 C ATOM 1417 O VAL A 89 -10.978 -7.617 4.188 1.00 0.91 O ATOM 1418 CB VAL A 89 -12.827 -9.751 2.470 1.00 0.75 C ATOM 1419 CG1 VAL A 89 -11.751 -10.582 3.193 1.00 0.87 C ATOM 1420 CG2 VAL A 89 -14.161 -10.509 2.602 1.00 1.01 C ATOM 0 H VAL A 89 -14.183 -7.877 1.421 1.00 0.66 H new ATOM 0 HA VAL A 89 -13.334 -8.454 4.090 1.00 0.70 H new ATOM 0 HB VAL A 89 -12.540 -9.624 1.426 1.00 0.75 H new ATOM 0 HG11 VAL A 89 -11.687 -11.570 2.737 1.00 0.87 H new ATOM 0 HG12 VAL A 89 -10.787 -10.081 3.109 1.00 0.87 H new ATOM 0 HG13 VAL A 89 -12.016 -10.684 4.245 1.00 0.87 H new ATOM 0 HG21 VAL A 89 -14.055 -11.508 2.178 1.00 1.01 H new ATOM 0 HG22 VAL A 89 -14.432 -10.588 3.655 1.00 1.01 H new ATOM 0 HG23 VAL A 89 -14.941 -9.968 2.066 1.00 1.01 H new ATOM 1430 N ALA A 90 -11.196 -6.972 2.038 1.00 0.82 N ATOM 1431 CA ALA A 90 -9.980 -6.161 1.986 1.00 0.86 C ATOM 1432 C ALA A 90 -10.058 -4.934 2.929 1.00 1.03 C ATOM 1433 O ALA A 90 -9.116 -4.671 3.677 1.00 1.08 O ATOM 1434 CB ALA A 90 -9.712 -5.821 0.508 1.00 0.86 C ATOM 0 H ALA A 90 -11.701 -7.003 1.152 1.00 0.82 H new ATOM 0 HA ALA A 90 -9.123 -6.716 2.368 1.00 0.86 H new ATOM 0 HB1 ALA A 90 -8.809 -5.215 0.432 1.00 0.86 H new ATOM 0 HB2 ALA A 90 -9.579 -6.742 -0.059 1.00 0.86 H new ATOM 0 HB3 ALA A 90 -10.558 -5.265 0.103 1.00 0.86 H new ATOM 1440 N ASP A 91 -11.186 -4.218 2.975 1.00 0.84 N ATOM 1441 CA ASP A 91 -11.398 -3.065 3.871 1.00 0.84 C ATOM 1442 C ASP A 91 -11.580 -3.440 5.349 1.00 1.09 C ATOM 1443 O ASP A 91 -10.965 -2.817 6.219 1.00 1.12 O ATOM 1444 CB ASP A 91 -12.592 -2.241 3.386 1.00 0.89 C ATOM 1445 CG ASP A 91 -12.671 -0.882 4.091 1.00 1.00 C ATOM 1446 OD1 ASP A 91 -11.729 -0.058 3.949 1.00 1.88 O ATOM 1447 OD2 ASP A 91 -13.680 -0.619 4.780 1.00 1.75 O ATOM 0 H ASP A 91 -11.992 -4.422 2.384 1.00 0.84 H new ATOM 0 HA ASP A 91 -10.483 -2.475 3.825 1.00 0.84 H new ATOM 0 HB2 ASP A 91 -12.515 -2.088 2.310 1.00 0.89 H new ATOM 0 HB3 ASP A 91 -13.513 -2.796 3.564 1.00 0.89 H new ATOM 1452 N ARG A 92 -12.375 -4.479 5.655 1.00 0.95 N ATOM 1453 CA ARG A 92 -12.550 -4.969 7.033 1.00 1.02 C ATOM 1454 C ARG A 92 -11.249 -5.553 7.609 1.00 1.28 C ATOM 1455 O ARG A 92 -11.146 -5.771 8.819 1.00 1.55 O ATOM 1456 CB ARG A 92 -13.756 -5.929 7.124 1.00 1.40 C ATOM 1457 CG ARG A 92 -13.472 -7.375 6.682 1.00 1.26 C ATOM 1458 CD ARG A 92 -13.135 -8.304 7.855 1.00 2.48 C ATOM 1459 NE ARG A 92 -12.154 -9.346 7.484 1.00 4.60 N ATOM 1460 CZ ARG A 92 -10.950 -9.518 8.027 1.00 6.49 C ATOM 1461 NH1 ARG A 92 -10.430 -8.666 8.892 1.00 7.07 N ATOM 1462 NH2 ARG A 92 -10.230 -10.575 7.702 1.00 8.33 N ATOM 0 H ARG A 92 -12.911 -4.999 4.960 1.00 0.95 H new ATOM 0 HA ARG A 92 -12.784 -4.118 7.672 1.00 1.02 H new ATOM 0 HB2 ARG A 92 -14.113 -5.943 8.154 1.00 1.40 H new ATOM 0 HB3 ARG A 92 -14.565 -5.530 6.512 1.00 1.40 H new ATOM 0 HG2 ARG A 92 -14.342 -7.766 6.155 1.00 1.26 H new ATOM 0 HG3 ARG A 92 -12.643 -7.377 5.974 1.00 1.26 H new ATOM 0 HD2 ARG A 92 -12.739 -7.713 8.681 1.00 2.48 H new ATOM 0 HD3 ARG A 92 -14.048 -8.779 8.213 1.00 2.48 H new ATOM 0 HE ARG A 92 -12.424 -9.993 6.743 1.00 4.60 H new ATOM 0 HH11 ARG A 92 -10.955 -7.836 9.169 1.00 7.07 H new ATOM 0 HH12 ARG A 92 -9.504 -8.838 9.283 1.00 7.07 H new ATOM 0 HH21 ARG A 92 -10.596 -11.257 7.037 1.00 8.33 H new ATOM 0 HH22 ARG A 92 -9.307 -10.710 8.116 1.00 8.33 H new ATOM 1476 N TYR A 93 -10.266 -5.873 6.761 1.00 1.03 N ATOM 1477 CA TYR A 93 -8.875 -6.116 7.156 1.00 1.10 C ATOM 1478 C TYR A 93 -8.153 -4.814 7.536 1.00 1.49 C ATOM 1479 O TYR A 93 -7.658 -4.701 8.658 1.00 1.69 O ATOM 1480 CB TYR A 93 -8.154 -6.875 6.030 1.00 1.25 C ATOM 1481 CG TYR A 93 -7.053 -7.805 6.491 1.00 1.31 C ATOM 1482 CD1 TYR A 93 -5.840 -7.289 6.987 1.00 2.24 C ATOM 1483 CD2 TYR A 93 -7.233 -9.199 6.387 1.00 1.95 C ATOM 1484 CE1 TYR A 93 -4.798 -8.162 7.346 1.00 2.30 C ATOM 1485 CE2 TYR A 93 -6.196 -10.078 6.747 1.00 2.21 C ATOM 1486 CZ TYR A 93 -4.973 -9.558 7.225 1.00 1.73 C ATOM 1487 OH TYR A 93 -3.966 -10.400 7.568 1.00 2.11 O ATOM 0 H TYR A 93 -10.419 -5.973 5.758 1.00 1.03 H new ATOM 0 HA TYR A 93 -8.863 -6.734 8.054 1.00 1.10 H new ATOM 0 HB2 TYR A 93 -8.890 -7.455 5.474 1.00 1.25 H new ATOM 0 HB3 TYR A 93 -7.730 -6.149 5.336 1.00 1.25 H new ATOM 0 HD1 TYR A 93 -5.710 -6.222 7.092 1.00 2.24 H new ATOM 0 HD2 TYR A 93 -8.172 -9.594 6.029 1.00 1.95 H new ATOM 0 HE1 TYR A 93 -3.864 -7.765 7.714 1.00 2.30 H new ATOM 0 HE2 TYR A 93 -6.334 -11.145 6.658 1.00 2.21 H new ATOM 0 HH TYR A 93 -4.252 -11.327 7.426 1.00 2.11 H new ATOM 1497 N ALA A 94 -8.128 -3.817 6.642 1.00 1.15 N ATOM 1498 CA ALA A 94 -7.432 -2.541 6.837 1.00 1.19 C ATOM 1499 C ALA A 94 -7.887 -1.801 8.115 1.00 1.27 C ATOM 1500 O ALA A 94 -7.055 -1.432 8.951 1.00 1.23 O ATOM 1501 CB ALA A 94 -7.631 -1.722 5.553 1.00 1.28 C ATOM 0 H ALA A 94 -8.603 -3.878 5.742 1.00 1.15 H new ATOM 0 HA ALA A 94 -6.368 -2.709 7.005 1.00 1.19 H new ATOM 0 HB1 ALA A 94 -7.128 -0.760 5.653 1.00 1.28 H new ATOM 0 HB2 ALA A 94 -7.211 -2.265 4.706 1.00 1.28 H new ATOM 0 HB3 ALA A 94 -8.696 -1.559 5.387 1.00 1.28 H new ATOM 1507 N LYS A 95 -9.201 -1.666 8.338 1.00 1.11 N ATOM 1508 CA LYS A 95 -9.746 -1.041 9.556 1.00 1.05 C ATOM 1509 C LYS A 95 -9.355 -1.769 10.851 1.00 1.05 C ATOM 1510 O LYS A 95 -9.265 -1.121 11.895 1.00 1.19 O ATOM 1511 CB LYS A 95 -11.287 -0.959 9.490 1.00 1.15 C ATOM 1512 CG LYS A 95 -11.818 0.382 8.971 1.00 1.59 C ATOM 1513 CD LYS A 95 -11.901 0.433 7.450 1.00 1.65 C ATOM 1514 CE LYS A 95 -12.462 1.800 7.044 1.00 1.56 C ATOM 1515 NZ LYS A 95 -12.734 1.823 5.596 1.00 1.84 N ATOM 0 H LYS A 95 -9.916 -1.985 7.684 1.00 1.11 H new ATOM 0 HA LYS A 95 -9.306 -0.044 9.587 1.00 1.05 H new ATOM 0 HB2 LYS A 95 -11.656 -1.758 8.847 1.00 1.15 H new ATOM 0 HB3 LYS A 95 -11.693 -1.138 10.485 1.00 1.15 H new ATOM 0 HG2 LYS A 95 -12.807 0.563 9.391 1.00 1.59 H new ATOM 0 HG3 LYS A 95 -11.170 1.185 9.323 1.00 1.59 H new ATOM 0 HD2 LYS A 95 -10.915 0.282 7.011 1.00 1.65 H new ATOM 0 HD3 LYS A 95 -12.542 -0.366 7.078 1.00 1.65 H new ATOM 0 HE2 LYS A 95 -13.378 2.005 7.598 1.00 1.56 H new ATOM 0 HE3 LYS A 95 -11.751 2.585 7.301 1.00 1.56 H new ATOM 0 HZ1 LYS A 95 -12.935 2.798 5.296 1.00 1.84 H new ATOM 0 HZ2 LYS A 95 -11.904 1.466 5.081 1.00 1.84 H new ATOM 0 HZ3 LYS A 95 -13.556 1.221 5.388 1.00 1.84 H new ATOM 1529 N ALA A 96 -9.153 -3.093 10.812 1.00 0.95 N ATOM 1530 CA ALA A 96 -8.876 -3.894 12.010 1.00 0.96 C ATOM 1531 C ALA A 96 -7.515 -3.567 12.633 1.00 1.08 C ATOM 1532 O ALA A 96 -7.319 -3.761 13.831 1.00 1.17 O ATOM 1533 CB ALA A 96 -8.950 -5.374 11.644 1.00 1.03 C ATOM 0 H ALA A 96 -9.177 -3.637 9.950 1.00 0.95 H new ATOM 0 HA ALA A 96 -9.628 -3.651 12.760 1.00 0.96 H new ATOM 0 HB1 ALA A 96 -8.746 -5.978 12.528 1.00 1.03 H new ATOM 0 HB2 ALA A 96 -9.946 -5.606 11.268 1.00 1.03 H new ATOM 0 HB3 ALA A 96 -8.211 -5.596 10.874 1.00 1.03 H new ATOM 1539 N PHE A 97 -6.593 -3.046 11.820 1.00 0.96 N ATOM 1540 CA PHE A 97 -5.322 -2.500 12.273 1.00 0.93 C ATOM 1541 C PHE A 97 -5.485 -1.107 12.861 1.00 1.99 C ATOM 1542 O PHE A 97 -4.926 -0.816 13.922 1.00 2.29 O ATOM 1543 CB PHE A 97 -4.345 -2.517 11.092 1.00 1.05 C ATOM 1544 CG PHE A 97 -3.716 -3.879 11.008 1.00 1.11 C ATOM 1545 CD1 PHE A 97 -2.530 -4.120 11.720 1.00 1.66 C ATOM 1546 CD2 PHE A 97 -4.391 -4.933 10.368 1.00 2.38 C ATOM 1547 CE1 PHE A 97 -2.020 -5.426 11.786 1.00 1.70 C ATOM 1548 CE2 PHE A 97 -3.882 -6.238 10.443 1.00 2.24 C ATOM 1549 CZ PHE A 97 -2.694 -6.482 11.153 1.00 1.33 C ATOM 0 H PHE A 97 -6.717 -2.993 10.809 1.00 0.96 H new ATOM 0 HA PHE A 97 -4.924 -3.115 13.080 1.00 0.93 H new ATOM 0 HB2 PHE A 97 -4.869 -2.285 10.165 1.00 1.05 H new ATOM 0 HB3 PHE A 97 -3.578 -1.754 11.225 1.00 1.05 H new ATOM 0 HD1 PHE A 97 -2.015 -3.308 12.212 1.00 1.66 H new ATOM 0 HD2 PHE A 97 -5.301 -4.738 9.819 1.00 2.38 H new ATOM 0 HE1 PHE A 97 -1.105 -5.619 12.326 1.00 1.70 H new ATOM 0 HE2 PHE A 97 -4.401 -7.051 9.957 1.00 2.24 H new ATOM 0 HZ PHE A 97 -2.298 -7.485 11.212 1.00 1.33 H new ATOM 1559 N HIS A 98 -6.229 -0.231 12.184 1.00 0.92 N ATOM 1560 CA HIS A 98 -6.519 1.101 12.687 1.00 0.96 C ATOM 1561 C HIS A 98 -7.706 1.703 11.908 1.00 1.31 C ATOM 1562 O HIS A 98 -7.678 1.640 10.679 1.00 1.43 O ATOM 1563 CB HIS A 98 -5.235 1.946 12.565 1.00 1.08 C ATOM 1564 CG HIS A 98 -5.154 3.056 13.578 1.00 1.86 C ATOM 1565 ND1 HIS A 98 -5.108 4.410 13.328 1.00 2.69 N ATOM 1566 CD2 HIS A 98 -5.175 2.898 14.939 1.00 2.65 C ATOM 1567 CE1 HIS A 98 -5.152 5.046 14.511 1.00 3.52 C ATOM 1568 NE2 HIS A 98 -5.192 4.162 15.518 1.00 3.58 N ATOM 0 H HIS A 98 -6.644 -0.430 11.274 1.00 0.92 H new ATOM 0 HA HIS A 98 -6.815 1.077 13.736 1.00 0.96 H new ATOM 0 HB2 HIS A 98 -4.368 1.295 12.679 1.00 1.08 H new ATOM 0 HB3 HIS A 98 -5.183 2.373 11.563 1.00 1.08 H new ATOM 0 HD2 HIS A 98 -5.178 1.957 15.469 1.00 2.65 H new ATOM 0 HE1 HIS A 98 -5.155 6.119 14.633 1.00 3.52 H new ATOM 0 HE2 HIS A 98 -5.228 4.375 16.515 1.00 3.58 H new ATOM 1577 N PRO A 99 -8.721 2.309 12.553 1.00 1.10 N ATOM 1578 CA PRO A 99 -9.974 2.679 11.887 1.00 1.29 C ATOM 1579 C PRO A 99 -9.824 3.769 10.815 1.00 1.59 C ATOM 1580 O PRO A 99 -10.693 3.903 9.960 1.00 1.63 O ATOM 1581 CB PRO A 99 -10.926 3.105 13.012 1.00 1.58 C ATOM 1582 CG PRO A 99 -9.989 3.541 14.136 1.00 1.59 C ATOM 1583 CD PRO A 99 -8.808 2.586 13.979 1.00 1.21 C ATOM 0 HA PRO A 99 -10.357 1.830 11.321 1.00 1.29 H new ATOM 0 HB2 PRO A 99 -11.579 3.919 12.697 1.00 1.58 H new ATOM 0 HB3 PRO A 99 -11.570 2.283 13.324 1.00 1.58 H new ATOM 0 HG2 PRO A 99 -9.685 4.582 14.028 1.00 1.59 H new ATOM 0 HG3 PRO A 99 -10.459 3.446 15.115 1.00 1.59 H new ATOM 0 HD2 PRO A 99 -7.887 3.037 14.348 1.00 1.21 H new ATOM 0 HD3 PRO A 99 -8.965 1.670 14.548 1.00 1.21 H new ATOM 1591 N SER A 100 -8.719 4.519 10.813 1.00 1.56 N ATOM 1592 CA SER A 100 -8.425 5.533 9.790 1.00 1.83 C ATOM 1593 C SER A 100 -7.847 4.959 8.469 1.00 1.76 C ATOM 1594 O SER A 100 -7.328 5.719 7.641 1.00 1.94 O ATOM 1595 CB SER A 100 -7.507 6.595 10.419 1.00 2.21 C ATOM 1596 OG SER A 100 -7.343 7.691 9.547 1.00 2.55 O ATOM 0 H SER A 100 -7.995 4.441 11.527 1.00 1.56 H new ATOM 0 HA SER A 100 -9.367 5.985 9.479 1.00 1.83 H new ATOM 0 HB2 SER A 100 -7.931 6.936 11.364 1.00 2.21 H new ATOM 0 HB3 SER A 100 -6.536 6.155 10.645 1.00 2.21 H new ATOM 0 HG SER A 100 -6.684 8.312 9.922 1.00 2.55 H new ATOM 1602 N PHE A 101 -7.887 3.632 8.265 1.00 1.42 N ATOM 1603 CA PHE A 101 -7.347 2.938 7.090 1.00 1.30 C ATOM 1604 C PHE A 101 -8.446 2.633 6.056 1.00 2.07 C ATOM 1605 O PHE A 101 -9.633 2.578 6.379 1.00 2.52 O ATOM 1606 CB PHE A 101 -6.663 1.626 7.525 1.00 1.27 C ATOM 1607 CG PHE A 101 -5.223 1.743 7.994 1.00 1.58 C ATOM 1608 CD1 PHE A 101 -4.865 2.640 9.015 1.00 2.95 C ATOM 1609 CD2 PHE A 101 -4.226 0.947 7.398 1.00 1.82 C ATOM 1610 CE1 PHE A 101 -3.515 2.810 9.377 1.00 3.20 C ATOM 1611 CE2 PHE A 101 -2.881 1.104 7.767 1.00 1.92 C ATOM 1612 CZ PHE A 101 -2.521 2.054 8.737 1.00 2.36 C ATOM 0 H PHE A 101 -8.311 2.994 8.938 1.00 1.42 H new ATOM 0 HA PHE A 101 -6.617 3.597 6.620 1.00 1.30 H new ATOM 0 HB2 PHE A 101 -7.250 1.184 8.330 1.00 1.27 H new ATOM 0 HB3 PHE A 101 -6.695 0.929 6.687 1.00 1.27 H new ATOM 0 HD1 PHE A 101 -5.632 3.203 9.526 1.00 2.95 H new ATOM 0 HD2 PHE A 101 -4.497 0.213 6.654 1.00 1.82 H new ATOM 0 HE1 PHE A 101 -3.245 3.520 10.145 1.00 3.20 H new ATOM 0 HE2 PHE A 101 -2.121 0.493 7.304 1.00 1.92 H new ATOM 0 HZ PHE A 101 -1.481 2.202 8.990 1.00 2.36 H new ATOM 1622 N LEU A 102 -8.033 2.388 4.811 1.00 0.96 N ATOM 1623 CA LEU A 102 -8.916 2.044 3.692 1.00 0.87 C ATOM 1624 C LEU A 102 -8.364 0.832 2.933 1.00 1.07 C ATOM 1625 O LEU A 102 -7.180 0.800 2.614 1.00 1.36 O ATOM 1626 CB LEU A 102 -9.008 3.287 2.793 1.00 0.95 C ATOM 1627 CG LEU A 102 -9.860 3.154 1.516 1.00 0.99 C ATOM 1628 CD1 LEU A 102 -11.344 2.919 1.835 1.00 1.26 C ATOM 1629 CD2 LEU A 102 -9.704 4.430 0.677 1.00 2.24 C ATOM 0 H LEU A 102 -7.049 2.424 4.545 1.00 0.96 H new ATOM 0 HA LEU A 102 -9.910 1.766 4.041 1.00 0.87 H new ATOM 0 HB2 LEU A 102 -9.410 4.108 3.387 1.00 0.95 H new ATOM 0 HB3 LEU A 102 -7.997 3.571 2.500 1.00 0.95 H new ATOM 0 HG LEU A 102 -9.506 2.286 0.960 1.00 0.99 H new ATOM 0 HD11 LEU A 102 -11.907 2.831 0.905 1.00 1.26 H new ATOM 0 HD12 LEU A 102 -11.451 2.000 2.412 1.00 1.26 H new ATOM 0 HD13 LEU A 102 -11.729 3.758 2.414 1.00 1.26 H new ATOM 0 HD21 LEU A 102 -10.304 4.345 -0.229 1.00 2.24 H new ATOM 0 HD22 LEU A 102 -10.041 5.290 1.256 1.00 2.24 H new ATOM 0 HD23 LEU A 102 -8.656 4.562 0.408 1.00 2.24 H new ATOM 1641 N GLY A 103 -9.212 -0.150 2.634 1.00 0.81 N ATOM 1642 CA GLY A 103 -8.889 -1.315 1.797 1.00 0.82 C ATOM 1643 C GLY A 103 -9.752 -1.356 0.541 1.00 0.77 C ATOM 1644 O GLY A 103 -10.945 -1.071 0.609 1.00 0.86 O ATOM 0 H GLY A 103 -10.173 -0.162 2.975 1.00 0.81 H new ATOM 0 HA2 GLY A 103 -7.836 -1.282 1.516 1.00 0.82 H new ATOM 0 HA3 GLY A 103 -9.037 -2.229 2.371 1.00 0.82 H new ATOM 1648 N LEU A 104 -9.144 -1.678 -0.603 1.00 0.62 N ATOM 1649 CA LEU A 104 -9.759 -1.583 -1.921 1.00 0.65 C ATOM 1650 C LEU A 104 -9.480 -2.821 -2.787 1.00 1.09 C ATOM 1651 O LEU A 104 -8.423 -3.452 -2.742 1.00 1.31 O ATOM 1652 CB LEU A 104 -9.278 -0.313 -2.648 1.00 0.84 C ATOM 1653 CG LEU A 104 -9.455 1.039 -1.928 1.00 1.09 C ATOM 1654 CD1 LEU A 104 -8.778 2.172 -2.713 1.00 1.18 C ATOM 1655 CD2 LEU A 104 -10.937 1.408 -1.762 1.00 1.44 C ATOM 0 H LEU A 104 -8.184 -2.021 -0.635 1.00 0.62 H new ATOM 0 HA LEU A 104 -10.837 -1.528 -1.766 1.00 0.65 H new ATOM 0 HB2 LEU A 104 -8.219 -0.437 -2.872 1.00 0.84 H new ATOM 0 HB3 LEU A 104 -9.801 -0.255 -3.602 1.00 0.84 H new ATOM 0 HG LEU A 104 -8.994 0.925 -0.947 1.00 1.09 H new ATOM 0 HD11 LEU A 104 -8.917 3.115 -2.184 1.00 1.18 H new ATOM 0 HD12 LEU A 104 -7.712 1.963 -2.807 1.00 1.18 H new ATOM 0 HD13 LEU A 104 -9.223 2.243 -3.705 1.00 1.18 H new ATOM 0 HD21 LEU A 104 -11.018 2.367 -1.250 1.00 1.44 H new ATOM 0 HD22 LEU A 104 -11.406 1.479 -2.743 1.00 1.44 H new ATOM 0 HD23 LEU A 104 -11.440 0.640 -1.175 1.00 1.44 H new ATOM 1667 N SER A 105 -10.459 -3.151 -3.612 1.00 0.84 N ATOM 1668 CA SER A 105 -10.447 -4.257 -4.573 1.00 0.84 C ATOM 1669 C SER A 105 -11.192 -3.815 -5.845 1.00 1.41 C ATOM 1670 O SER A 105 -11.457 -2.626 -6.028 1.00 2.51 O ATOM 1671 CB SER A 105 -11.015 -5.524 -3.917 1.00 1.02 C ATOM 1672 OG SER A 105 -10.885 -6.683 -4.729 1.00 1.18 O ATOM 0 H SER A 105 -11.335 -2.630 -3.636 1.00 0.84 H new ATOM 0 HA SER A 105 -9.431 -4.513 -4.875 1.00 0.84 H new ATOM 0 HB2 SER A 105 -10.505 -5.694 -2.969 1.00 1.02 H new ATOM 0 HB3 SER A 105 -12.069 -5.365 -3.688 1.00 1.02 H new ATOM 0 HG SER A 105 -10.671 -7.455 -4.165 1.00 1.18 H new ATOM 1678 N GLY A 106 -11.506 -4.731 -6.761 1.00 0.77 N ATOM 1679 CA GLY A 106 -12.514 -4.458 -7.786 1.00 0.92 C ATOM 1680 C GLY A 106 -12.468 -5.426 -8.946 1.00 0.86 C ATOM 1681 O GLY A 106 -12.118 -6.594 -8.804 1.00 0.95 O ATOM 0 H GLY A 106 -11.083 -5.658 -6.815 1.00 0.77 H new ATOM 0 HA2 GLY A 106 -13.504 -4.495 -7.331 1.00 0.92 H new ATOM 0 HA3 GLY A 106 -12.374 -3.445 -8.162 1.00 0.92 H new ATOM 1685 N SER A 107 -12.854 -4.938 -10.121 1.00 0.75 N ATOM 1686 CA SER A 107 -12.764 -5.709 -11.357 1.00 0.73 C ATOM 1687 C SER A 107 -11.289 -5.880 -11.784 1.00 0.86 C ATOM 1688 O SER A 107 -10.446 -5.028 -11.452 1.00 0.89 O ATOM 1689 CB SER A 107 -13.653 -5.052 -12.424 1.00 0.92 C ATOM 1690 OG SER A 107 -12.985 -4.008 -13.094 1.00 1.62 O ATOM 0 H SER A 107 -13.237 -4.000 -10.243 1.00 0.75 H new ATOM 0 HA SER A 107 -13.140 -6.721 -11.209 1.00 0.73 H new ATOM 0 HB2 SER A 107 -13.968 -5.804 -13.147 1.00 0.92 H new ATOM 0 HB3 SER A 107 -14.556 -4.663 -11.954 1.00 0.92 H new ATOM 0 HG SER A 107 -12.345 -4.386 -13.733 1.00 1.62 H new ATOM 1696 N PRO A 108 -10.931 -6.981 -12.475 1.00 0.85 N ATOM 1697 CA PRO A 108 -9.535 -7.312 -12.747 1.00 1.00 C ATOM 1698 C PRO A 108 -8.829 -6.260 -13.608 1.00 1.26 C ATOM 1699 O PRO A 108 -7.630 -6.077 -13.433 1.00 1.12 O ATOM 1700 CB PRO A 108 -9.554 -8.696 -13.407 1.00 1.19 C ATOM 1701 CG PRO A 108 -10.958 -8.797 -13.999 1.00 1.14 C ATOM 1702 CD PRO A 108 -11.805 -8.026 -12.991 1.00 0.96 C ATOM 0 HA PRO A 108 -8.954 -7.324 -11.825 1.00 1.00 H new ATOM 0 HB2 PRO A 108 -8.788 -8.783 -14.177 1.00 1.19 H new ATOM 0 HB3 PRO A 108 -9.368 -9.488 -12.682 1.00 1.19 H new ATOM 0 HG2 PRO A 108 -11.010 -8.355 -14.994 1.00 1.14 H new ATOM 0 HG3 PRO A 108 -11.284 -9.833 -14.093 1.00 1.14 H new ATOM 0 HD2 PRO A 108 -12.690 -7.601 -13.464 1.00 0.96 H new ATOM 0 HD3 PRO A 108 -12.154 -8.678 -12.190 1.00 0.96 H new ATOM 1710 N GLU A 109 -9.557 -5.539 -14.469 1.00 0.92 N ATOM 1711 CA GLU A 109 -9.072 -4.394 -15.248 1.00 0.96 C ATOM 1712 C GLU A 109 -8.717 -3.219 -14.326 1.00 1.14 C ATOM 1713 O GLU A 109 -7.589 -2.731 -14.356 1.00 1.34 O ATOM 1714 CB GLU A 109 -10.096 -3.925 -16.314 1.00 1.12 C ATOM 1715 CG GLU A 109 -10.997 -4.992 -16.961 1.00 1.27 C ATOM 1716 CD GLU A 109 -12.299 -5.167 -16.177 1.00 2.51 C ATOM 1717 OE1 GLU A 109 -12.212 -5.564 -14.994 1.00 3.26 O ATOM 1718 OE2 GLU A 109 -13.377 -4.854 -16.711 1.00 3.57 O ATOM 0 H GLU A 109 -10.539 -5.746 -14.649 1.00 0.92 H new ATOM 0 HA GLU A 109 -8.178 -4.733 -15.771 1.00 0.96 H new ATOM 0 HB2 GLU A 109 -10.741 -3.177 -15.853 1.00 1.12 H new ATOM 0 HB3 GLU A 109 -9.545 -3.424 -17.110 1.00 1.12 H new ATOM 0 HG2 GLU A 109 -11.224 -4.706 -17.988 1.00 1.27 H new ATOM 0 HG3 GLU A 109 -10.465 -5.943 -17.005 1.00 1.27 H new ATOM 1725 N ALA A 110 -9.638 -2.799 -13.444 1.00 0.85 N ATOM 1726 CA ALA A 110 -9.393 -1.719 -12.480 1.00 0.83 C ATOM 1727 C ALA A 110 -8.208 -2.043 -11.554 1.00 0.94 C ATOM 1728 O ALA A 110 -7.315 -1.217 -11.358 1.00 0.97 O ATOM 1729 CB ALA A 110 -10.688 -1.474 -11.694 1.00 0.82 C ATOM 0 H ALA A 110 -10.574 -3.200 -13.381 1.00 0.85 H new ATOM 0 HA ALA A 110 -9.114 -0.808 -13.010 1.00 0.83 H new ATOM 0 HB1 ALA A 110 -10.529 -0.674 -10.971 1.00 0.82 H new ATOM 0 HB2 ALA A 110 -11.483 -1.188 -12.383 1.00 0.82 H new ATOM 0 HB3 ALA A 110 -10.973 -2.386 -11.170 1.00 0.82 H new ATOM 1735 N VAL A 111 -8.146 -3.284 -11.065 1.00 0.80 N ATOM 1736 CA VAL A 111 -6.991 -3.775 -10.289 1.00 0.81 C ATOM 1737 C VAL A 111 -5.694 -3.759 -11.127 1.00 1.19 C ATOM 1738 O VAL A 111 -4.627 -3.452 -10.589 1.00 1.02 O ATOM 1739 CB VAL A 111 -7.288 -5.156 -9.655 1.00 0.85 C ATOM 1740 CG1 VAL A 111 -6.068 -5.759 -8.937 1.00 1.11 C ATOM 1741 CG2 VAL A 111 -8.428 -5.035 -8.626 1.00 1.35 C ATOM 0 H VAL A 111 -8.885 -3.976 -11.191 1.00 0.80 H new ATOM 0 HA VAL A 111 -6.822 -3.086 -9.462 1.00 0.81 H new ATOM 0 HB VAL A 111 -7.566 -5.813 -10.479 1.00 0.85 H new ATOM 0 HG11 VAL A 111 -6.337 -6.726 -8.513 1.00 1.11 H new ATOM 0 HG12 VAL A 111 -5.254 -5.889 -9.650 1.00 1.11 H new ATOM 0 HG13 VAL A 111 -5.748 -5.089 -8.139 1.00 1.11 H new ATOM 0 HG21 VAL A 111 -8.627 -6.013 -8.187 1.00 1.35 H new ATOM 0 HG22 VAL A 111 -8.137 -4.337 -7.841 1.00 1.35 H new ATOM 0 HG23 VAL A 111 -9.328 -4.669 -9.121 1.00 1.35 H new ATOM 1751 N ARG A 112 -5.762 -4.051 -12.436 1.00 0.85 N ATOM 1752 CA ARG A 112 -4.590 -4.029 -13.321 1.00 0.84 C ATOM 1753 C ARG A 112 -4.083 -2.605 -13.592 1.00 1.13 C ATOM 1754 O ARG A 112 -2.871 -2.412 -13.516 1.00 1.28 O ATOM 1755 CB ARG A 112 -4.876 -4.782 -14.636 1.00 0.89 C ATOM 1756 CG ARG A 112 -3.595 -5.252 -15.345 1.00 1.35 C ATOM 1757 CD ARG A 112 -2.942 -6.438 -14.618 1.00 2.46 C ATOM 1758 NE ARG A 112 -1.578 -6.691 -15.108 1.00 3.59 N ATOM 1759 CZ ARG A 112 -0.826 -7.759 -14.873 1.00 4.93 C ATOM 1760 NH1 ARG A 112 -1.270 -8.815 -14.209 1.00 5.65 N ATOM 1761 NH2 ARG A 112 0.408 -7.741 -15.319 1.00 6.13 N ATOM 0 H ARG A 112 -6.629 -4.308 -12.908 1.00 0.85 H new ATOM 0 HA ARG A 112 -3.788 -4.549 -12.797 1.00 0.84 H new ATOM 0 HB2 ARG A 112 -5.507 -5.646 -14.425 1.00 0.89 H new ATOM 0 HB3 ARG A 112 -5.439 -4.132 -15.306 1.00 0.89 H new ATOM 0 HG2 ARG A 112 -3.831 -5.539 -16.370 1.00 1.35 H new ATOM 0 HG3 ARG A 112 -2.887 -4.425 -15.401 1.00 1.35 H new ATOM 0 HD2 ARG A 112 -2.913 -6.237 -13.547 1.00 2.46 H new ATOM 0 HD3 ARG A 112 -3.551 -7.331 -14.758 1.00 2.46 H new ATOM 0 HE ARG A 112 -1.164 -5.965 -15.693 1.00 3.59 H new ATOM 0 HH11 ARG A 112 -2.226 -8.829 -13.855 1.00 5.65 H new ATOM 0 HH12 ARG A 112 -0.656 -9.614 -14.052 1.00 5.65 H new ATOM 0 HH21 ARG A 112 0.756 -6.926 -15.825 1.00 6.13 H new ATOM 0 HH22 ARG A 112 1.020 -8.542 -15.160 1.00 6.13 H new ATOM 1775 N GLU A 113 -4.970 -1.633 -13.824 1.00 0.82 N ATOM 1776 CA GLU A 113 -4.612 -0.216 -14.010 1.00 0.87 C ATOM 1777 C GLU A 113 -3.705 0.285 -12.873 1.00 1.12 C ATOM 1778 O GLU A 113 -2.594 0.772 -13.094 1.00 1.20 O ATOM 1779 CB GLU A 113 -5.875 0.641 -14.094 1.00 0.96 C ATOM 1780 CG GLU A 113 -6.609 0.415 -15.416 1.00 1.14 C ATOM 1781 CD GLU A 113 -5.925 1.088 -16.602 1.00 1.95 C ATOM 1782 OE1 GLU A 113 -5.002 0.455 -17.161 1.00 2.52 O ATOM 1783 OE2 GLU A 113 -6.327 2.230 -16.918 1.00 3.05 O ATOM 0 H GLU A 113 -5.973 -1.807 -13.890 1.00 0.82 H new ATOM 0 HA GLU A 113 -4.059 -0.129 -14.945 1.00 0.87 H new ATOM 0 HB2 GLU A 113 -6.537 0.401 -13.262 1.00 0.96 H new ATOM 0 HB3 GLU A 113 -5.610 1.694 -13.997 1.00 0.96 H new ATOM 0 HG2 GLU A 113 -6.682 -0.656 -15.606 1.00 1.14 H new ATOM 0 HG3 GLU A 113 -7.627 0.793 -15.329 1.00 1.14 H new ATOM 1790 N ALA A 114 -4.148 0.076 -11.629 1.00 0.77 N ATOM 1791 CA ALA A 114 -3.385 0.427 -10.434 1.00 0.73 C ATOM 1792 C ALA A 114 -2.042 -0.318 -10.352 1.00 0.90 C ATOM 1793 O ALA A 114 -1.001 0.282 -10.092 1.00 1.01 O ATOM 1794 CB ALA A 114 -4.280 0.124 -9.228 1.00 0.75 C ATOM 0 H ALA A 114 -5.054 -0.345 -11.425 1.00 0.77 H new ATOM 0 HA ALA A 114 -3.118 1.483 -10.460 1.00 0.73 H new ATOM 0 HB1 ALA A 114 -3.749 0.372 -8.309 1.00 0.75 H new ATOM 0 HB2 ALA A 114 -5.191 0.719 -9.292 1.00 0.75 H new ATOM 0 HB3 ALA A 114 -4.538 -0.935 -9.223 1.00 0.75 H new ATOM 1800 N ALA A 115 -2.037 -1.629 -10.594 1.00 0.70 N ATOM 1801 CA ALA A 115 -0.829 -2.450 -10.532 1.00 0.70 C ATOM 1802 C ALA A 115 0.238 -2.032 -11.562 1.00 0.88 C ATOM 1803 O ALA A 115 1.421 -1.922 -11.223 1.00 0.91 O ATOM 1804 CB ALA A 115 -1.246 -3.908 -10.735 1.00 0.74 C ATOM 0 H ALA A 115 -2.876 -2.154 -10.840 1.00 0.70 H new ATOM 0 HA ALA A 115 -0.360 -2.311 -9.558 1.00 0.70 H new ATOM 0 HB1 ALA A 115 -0.364 -4.548 -10.694 1.00 0.74 H new ATOM 0 HB2 ALA A 115 -1.943 -4.200 -9.949 1.00 0.74 H new ATOM 0 HB3 ALA A 115 -1.728 -4.017 -11.706 1.00 0.74 H new ATOM 1810 N GLN A 116 -0.166 -1.760 -12.807 1.00 0.78 N ATOM 1811 CA GLN A 116 0.750 -1.378 -13.888 1.00 0.83 C ATOM 1812 C GLN A 116 1.440 -0.031 -13.624 1.00 1.24 C ATOM 1813 O GLN A 116 2.582 0.143 -14.051 1.00 1.32 O ATOM 1814 CB GLN A 116 0.001 -1.341 -15.233 1.00 0.98 C ATOM 1815 CG GLN A 116 -0.439 -2.725 -15.759 1.00 1.08 C ATOM 1816 CD GLN A 116 0.684 -3.708 -16.108 1.00 1.94 C ATOM 1817 OE1 GLN A 116 0.524 -4.921 -16.001 1.00 2.20 O ATOM 1818 NE2 GLN A 116 1.847 -3.259 -16.531 1.00 3.20 N ATOM 0 H GLN A 116 -1.144 -1.799 -13.095 1.00 0.78 H new ATOM 0 HA GLN A 116 1.532 -2.136 -13.929 1.00 0.83 H new ATOM 0 HB2 GLN A 116 -0.881 -0.710 -15.126 1.00 0.98 H new ATOM 0 HB3 GLN A 116 0.642 -0.870 -15.978 1.00 0.98 H new ATOM 0 HG2 GLN A 116 -1.078 -3.189 -15.008 1.00 1.08 H new ATOM 0 HG3 GLN A 116 -1.050 -2.574 -16.649 1.00 1.08 H new ATOM 0 HE21 GLN A 116 2.002 -2.255 -16.627 1.00 3.20 H new ATOM 0 HE22 GLN A 116 2.593 -3.915 -16.762 1.00 3.20 H new ATOM 1827 N THR A 117 0.796 0.879 -12.880 1.00 0.88 N ATOM 1828 CA THR A 117 1.374 2.186 -12.514 1.00 1.01 C ATOM 1829 C THR A 117 2.572 2.033 -11.580 1.00 1.19 C ATOM 1830 O THR A 117 3.625 2.628 -11.820 1.00 1.21 O ATOM 1831 CB THR A 117 0.271 3.056 -11.900 1.00 1.25 C ATOM 1832 OG1 THR A 117 -0.613 3.385 -12.938 1.00 1.54 O ATOM 1833 CG2 THR A 117 0.789 4.371 -11.331 1.00 1.60 C ATOM 0 H THR A 117 -0.144 0.732 -12.512 1.00 0.88 H new ATOM 0 HA THR A 117 1.757 2.676 -13.409 1.00 1.01 H new ATOM 0 HB THR A 117 -0.185 2.493 -11.085 1.00 1.25 H new ATOM 0 HG1 THR A 117 -1.244 2.648 -13.076 1.00 1.54 H new ATOM 0 HG21 THR A 117 -0.042 4.939 -10.912 1.00 1.60 H new ATOM 0 HG22 THR A 117 1.520 4.166 -10.548 1.00 1.60 H new ATOM 0 HG23 THR A 117 1.260 4.950 -12.125 1.00 1.60 H new ATOM 1841 N PHE A 118 2.407 1.259 -10.507 1.00 0.84 N ATOM 1842 CA PHE A 118 3.459 0.967 -9.528 1.00 0.88 C ATOM 1843 C PHE A 118 4.516 -0.046 -10.012 1.00 1.82 C ATOM 1844 O PHE A 118 5.607 -0.100 -9.449 1.00 2.24 O ATOM 1845 CB PHE A 118 2.779 0.536 -8.221 1.00 0.85 C ATOM 1846 CG PHE A 118 1.821 1.579 -7.673 1.00 0.86 C ATOM 1847 CD1 PHE A 118 2.297 2.837 -7.263 1.00 1.89 C ATOM 1848 CD2 PHE A 118 0.443 1.317 -7.640 1.00 2.08 C ATOM 1849 CE1 PHE A 118 1.399 3.841 -6.864 1.00 1.63 C ATOM 1850 CE2 PHE A 118 -0.463 2.321 -7.260 1.00 2.26 C ATOM 1851 CZ PHE A 118 0.017 3.586 -6.884 1.00 1.14 C ATOM 0 H PHE A 118 1.519 0.807 -10.288 1.00 0.84 H new ATOM 0 HA PHE A 118 4.042 1.874 -9.368 1.00 0.88 H new ATOM 0 HB2 PHE A 118 2.236 -0.393 -8.391 1.00 0.85 H new ATOM 0 HB3 PHE A 118 3.544 0.326 -7.473 1.00 0.85 H new ATOM 0 HD1 PHE A 118 3.359 3.033 -7.255 1.00 1.89 H new ATOM 0 HD2 PHE A 118 0.077 0.337 -7.908 1.00 2.08 H new ATOM 0 HE1 PHE A 118 1.769 4.804 -6.544 1.00 1.63 H new ATOM 0 HE2 PHE A 118 -1.524 2.121 -7.257 1.00 2.26 H new ATOM 0 HZ PHE A 118 -0.678 4.366 -6.609 1.00 1.14 H new ATOM 1861 N GLY A 119 4.207 -0.856 -11.037 1.00 0.71 N ATOM 1862 CA GLY A 119 5.049 -1.974 -11.505 1.00 0.73 C ATOM 1863 C GLY A 119 4.730 -3.312 -10.835 1.00 0.83 C ATOM 1864 O GLY A 119 5.524 -4.244 -10.922 1.00 1.04 O ATOM 0 H GLY A 119 3.348 -0.752 -11.576 1.00 0.71 H new ATOM 0 HA2 GLY A 119 4.928 -2.081 -12.583 1.00 0.73 H new ATOM 0 HA3 GLY A 119 6.095 -1.728 -11.324 1.00 0.73 H new ATOM 1868 N VAL A 120 3.573 -3.410 -10.182 1.00 0.65 N ATOM 1869 CA VAL A 120 3.094 -4.608 -9.475 1.00 0.71 C ATOM 1870 C VAL A 120 2.628 -5.658 -10.482 1.00 0.85 C ATOM 1871 O VAL A 120 1.990 -5.340 -11.490 1.00 0.98 O ATOM 1872 CB VAL A 120 1.941 -4.257 -8.502 1.00 0.83 C ATOM 1873 CG1 VAL A 120 1.185 -5.468 -7.919 1.00 1.06 C ATOM 1874 CG2 VAL A 120 2.457 -3.403 -7.340 1.00 1.28 C ATOM 0 H VAL A 120 2.916 -2.632 -10.126 1.00 0.65 H new ATOM 0 HA VAL A 120 3.921 -5.012 -8.891 1.00 0.71 H new ATOM 0 HB VAL A 120 1.227 -3.708 -9.116 1.00 0.83 H new ATOM 0 HG11 VAL A 120 0.398 -5.118 -7.251 1.00 1.06 H new ATOM 0 HG12 VAL A 120 0.742 -6.045 -8.730 1.00 1.06 H new ATOM 0 HG13 VAL A 120 1.880 -6.098 -7.363 1.00 1.06 H new ATOM 0 HG21 VAL A 120 1.632 -3.167 -6.668 1.00 1.28 H new ATOM 0 HG22 VAL A 120 3.223 -3.955 -6.795 1.00 1.28 H new ATOM 0 HG23 VAL A 120 2.884 -2.479 -7.729 1.00 1.28 H new ATOM 1884 N PHE A 121 2.886 -6.928 -10.158 1.00 0.94 N ATOM 1885 CA PHE A 121 2.335 -8.066 -10.877 1.00 1.16 C ATOM 1886 C PHE A 121 1.860 -9.179 -9.934 1.00 1.98 C ATOM 1887 O PHE A 121 2.500 -9.515 -8.934 1.00 1.90 O ATOM 1888 CB PHE A 121 3.350 -8.566 -11.919 1.00 1.31 C ATOM 1889 CG PHE A 121 4.725 -8.904 -11.374 1.00 1.25 C ATOM 1890 CD1 PHE A 121 5.705 -7.896 -11.262 1.00 1.68 C ATOM 1891 CD2 PHE A 121 5.029 -10.221 -10.979 1.00 2.70 C ATOM 1892 CE1 PHE A 121 6.976 -8.206 -10.754 1.00 1.61 C ATOM 1893 CE2 PHE A 121 6.307 -10.530 -10.474 1.00 2.59 C ATOM 1894 CZ PHE A 121 7.280 -9.521 -10.362 1.00 1.46 C ATOM 0 H PHE A 121 3.491 -7.191 -9.380 1.00 0.94 H new ATOM 0 HA PHE A 121 1.441 -7.737 -11.406 1.00 1.16 H new ATOM 0 HB2 PHE A 121 2.941 -9.453 -12.404 1.00 1.31 H new ATOM 0 HB3 PHE A 121 3.460 -7.803 -12.690 1.00 1.31 H new ATOM 0 HD1 PHE A 121 5.477 -6.885 -11.567 1.00 1.68 H new ATOM 0 HD2 PHE A 121 4.281 -10.995 -11.063 1.00 2.70 H new ATOM 0 HE1 PHE A 121 7.723 -7.431 -10.664 1.00 1.61 H new ATOM 0 HE2 PHE A 121 6.539 -11.541 -10.173 1.00 2.59 H new ATOM 0 HZ PHE A 121 8.260 -9.756 -9.975 1.00 1.46 H new ATOM 1904 N TYR A 122 0.727 -9.763 -10.320 1.00 1.37 N ATOM 1905 CA TYR A 122 0.292 -11.093 -9.897 1.00 1.17 C ATOM 1906 C TYR A 122 0.458 -12.103 -11.049 1.00 1.13 C ATOM 1907 O TYR A 122 0.338 -11.745 -12.225 1.00 1.15 O ATOM 1908 CB TYR A 122 -1.155 -11.046 -9.374 1.00 1.35 C ATOM 1909 CG TYR A 122 -2.182 -10.401 -10.296 1.00 1.35 C ATOM 1910 CD1 TYR A 122 -2.640 -11.077 -11.445 1.00 2.48 C ATOM 1911 CD2 TYR A 122 -2.682 -9.114 -10.003 1.00 1.88 C ATOM 1912 CE1 TYR A 122 -3.570 -10.465 -12.307 1.00 2.56 C ATOM 1913 CE2 TYR A 122 -3.616 -8.500 -10.858 1.00 1.91 C ATOM 1914 CZ TYR A 122 -4.065 -9.174 -12.016 1.00 1.59 C ATOM 1915 OH TYR A 122 -4.955 -8.584 -12.862 1.00 1.92 O ATOM 0 H TYR A 122 0.068 -9.311 -10.954 1.00 1.37 H new ATOM 0 HA TYR A 122 0.923 -11.429 -9.074 1.00 1.17 H new ATOM 0 HB2 TYR A 122 -1.477 -12.066 -9.163 1.00 1.35 H new ATOM 0 HB3 TYR A 122 -1.160 -10.508 -8.426 1.00 1.35 H new ATOM 0 HD1 TYR A 122 -2.276 -12.070 -11.665 1.00 2.48 H new ATOM 0 HD2 TYR A 122 -2.345 -8.597 -9.117 1.00 1.88 H new ATOM 0 HE1 TYR A 122 -3.906 -10.984 -13.193 1.00 2.56 H new ATOM 0 HE2 TYR A 122 -3.990 -7.513 -10.629 1.00 1.91 H new ATOM 0 HH TYR A 122 -5.197 -7.699 -12.517 1.00 1.92 H new ATOM 1925 N GLN A 123 0.702 -13.367 -10.715 1.00 0.83 N ATOM 1926 CA GLN A 123 0.550 -14.528 -11.591 1.00 0.90 C ATOM 1927 C GLN A 123 -0.151 -15.624 -10.777 1.00 1.11 C ATOM 1928 O GLN A 123 -0.482 -15.407 -9.616 1.00 1.61 O ATOM 1929 CB GLN A 123 1.914 -14.989 -12.149 1.00 1.09 C ATOM 1930 CG GLN A 123 2.571 -13.911 -13.029 1.00 2.06 C ATOM 1931 CD GLN A 123 3.712 -14.446 -13.891 1.00 2.38 C ATOM 1932 OE1 GLN A 123 3.578 -14.613 -15.090 1.00 2.81 O ATOM 1933 NE2 GLN A 123 4.874 -14.720 -13.339 1.00 3.00 N ATOM 0 H GLN A 123 1.026 -13.623 -9.783 1.00 0.83 H new ATOM 0 HA GLN A 123 -0.053 -14.279 -12.464 1.00 0.90 H new ATOM 0 HB2 GLN A 123 2.579 -15.237 -11.322 1.00 1.09 H new ATOM 0 HB3 GLN A 123 1.778 -15.900 -12.732 1.00 1.09 H new ATOM 0 HG2 GLN A 123 1.813 -13.469 -13.676 1.00 2.06 H new ATOM 0 HG3 GLN A 123 2.951 -13.113 -12.391 1.00 2.06 H new ATOM 0 HE21 GLN A 123 5.006 -14.587 -12.336 1.00 3.00 H new ATOM 0 HE22 GLN A 123 5.643 -15.066 -13.914 1.00 3.00 H new ATOM 1942 N LYS A 124 -0.429 -16.782 -11.377 1.00 0.98 N ATOM 1943 CA LYS A 124 -0.944 -17.945 -10.642 1.00 1.00 C ATOM 1944 C LYS A 124 -0.426 -19.281 -11.194 1.00 1.32 C ATOM 1945 O LYS A 124 -0.079 -19.391 -12.372 1.00 1.84 O ATOM 1946 CB LYS A 124 -2.469 -17.846 -10.390 1.00 1.10 C ATOM 1947 CG LYS A 124 -3.391 -17.242 -11.469 1.00 1.50 C ATOM 1948 CD LYS A 124 -4.467 -16.323 -10.850 1.00 2.02 C ATOM 1949 CE LYS A 124 -5.302 -17.006 -9.758 1.00 2.48 C ATOM 1950 NZ LYS A 124 -6.367 -16.121 -9.231 1.00 3.11 N ATOM 0 H LYS A 124 -0.306 -16.943 -12.377 1.00 0.98 H new ATOM 0 HA LYS A 124 -0.517 -17.924 -9.639 1.00 1.00 H new ATOM 0 HB2 LYS A 124 -2.829 -18.854 -10.183 1.00 1.10 H new ATOM 0 HB3 LYS A 124 -2.610 -17.263 -9.480 1.00 1.10 H new ATOM 0 HG2 LYS A 124 -2.794 -16.674 -12.182 1.00 1.50 H new ATOM 0 HG3 LYS A 124 -3.874 -18.045 -12.026 1.00 1.50 H new ATOM 0 HD2 LYS A 124 -3.982 -15.443 -10.428 1.00 2.02 H new ATOM 0 HD3 LYS A 124 -5.132 -15.973 -11.639 1.00 2.02 H new ATOM 0 HE2 LYS A 124 -5.752 -17.913 -10.162 1.00 2.48 H new ATOM 0 HE3 LYS A 124 -4.648 -17.311 -8.941 1.00 2.48 H new ATOM 0 HZ1 LYS A 124 -7.055 -16.687 -8.694 1.00 3.11 H new ATOM 0 HZ2 LYS A 124 -5.945 -15.405 -8.606 1.00 3.11 H new ATOM 0 HZ3 LYS A 124 -6.850 -15.649 -10.022 1.00 3.11 H new ATOM 1964 N SER A 125 -0.341 -20.295 -10.335 1.00 1.20 N ATOM 1965 CA SER A 125 0.462 -21.507 -10.547 1.00 1.58 C ATOM 1966 C SER A 125 -0.262 -22.768 -10.047 1.00 1.78 C ATOM 1967 O SER A 125 -1.215 -22.668 -9.279 1.00 2.28 O ATOM 1968 CB SER A 125 1.820 -21.326 -9.858 1.00 2.01 C ATOM 1969 OG SER A 125 2.680 -22.429 -10.097 1.00 3.02 O ATOM 0 H SER A 125 -0.841 -20.300 -9.446 1.00 1.20 H new ATOM 0 HA SER A 125 0.615 -21.650 -11.617 1.00 1.58 H new ATOM 0 HB2 SER A 125 2.292 -20.412 -10.218 1.00 2.01 H new ATOM 0 HB3 SER A 125 1.671 -21.207 -8.785 1.00 2.01 H new ATOM 0 HG SER A 125 3.537 -22.280 -9.645 1.00 3.02 H new ATOM 1975 N GLN A 126 0.147 -23.958 -10.506 1.00 1.89 N ATOM 1976 CA GLN A 126 -0.537 -25.240 -10.246 1.00 1.98 C ATOM 1977 C GLN A 126 -2.015 -25.239 -10.701 1.00 2.18 C ATOM 1978 O GLN A 126 -2.818 -26.021 -10.202 1.00 2.67 O ATOM 1979 CB GLN A 126 -0.371 -25.682 -8.770 1.00 2.16 C ATOM 1980 CG GLN A 126 1.077 -25.991 -8.340 1.00 2.74 C ATOM 1981 CD GLN A 126 1.625 -27.306 -8.915 1.00 3.50 C ATOM 1982 OE1 GLN A 126 1.338 -27.708 -10.028 1.00 4.07 O ATOM 1983 NE2 GLN A 126 2.451 -28.036 -8.194 1.00 4.46 N ATOM 0 H GLN A 126 0.982 -24.063 -11.082 1.00 1.89 H new ATOM 0 HA GLN A 126 -0.043 -25.989 -10.865 1.00 1.98 H new ATOM 0 HB2 GLN A 126 -0.766 -24.897 -8.125 1.00 2.16 H new ATOM 0 HB3 GLN A 126 -0.981 -26.569 -8.602 1.00 2.16 H new ATOM 0 HG2 GLN A 126 1.723 -25.171 -8.654 1.00 2.74 H new ATOM 0 HG3 GLN A 126 1.122 -26.034 -7.252 1.00 2.74 H new ATOM 0 HE21 GLN A 126 2.715 -27.732 -7.257 1.00 4.46 H new ATOM 0 HE22 GLN A 126 2.827 -28.905 -8.573 1.00 4.46 H new ATOM 1992 N TYR A 127 -2.385 -24.390 -11.673 1.00 1.85 N ATOM 1993 CA TYR A 127 -3.754 -24.105 -12.162 1.00 2.13 C ATOM 1994 C TYR A 127 -4.506 -25.291 -12.825 1.00 2.79 C ATOM 1995 O TYR A 127 -5.474 -25.108 -13.561 1.00 3.41 O ATOM 1996 CB TYR A 127 -3.669 -22.877 -13.090 1.00 2.56 C ATOM 1997 CG TYR A 127 -2.690 -23.038 -14.240 1.00 3.59 C ATOM 1998 CD1 TYR A 127 -3.044 -23.776 -15.386 1.00 4.18 C ATOM 1999 CD2 TYR A 127 -1.395 -22.489 -14.140 1.00 4.83 C ATOM 2000 CE1 TYR A 127 -2.099 -24.004 -16.404 1.00 5.58 C ATOM 2001 CE2 TYR A 127 -0.445 -22.707 -15.155 1.00 6.28 C ATOM 2002 CZ TYR A 127 -0.793 -23.484 -16.284 1.00 6.53 C ATOM 2003 OH TYR A 127 0.118 -23.738 -17.263 1.00 8.14 O ATOM 0 H TYR A 127 -1.688 -23.842 -12.178 1.00 1.85 H new ATOM 0 HA TYR A 127 -4.373 -23.905 -11.288 1.00 2.13 H new ATOM 0 HB2 TYR A 127 -4.660 -22.672 -13.496 1.00 2.56 H new ATOM 0 HB3 TYR A 127 -3.380 -22.008 -12.500 1.00 2.56 H new ATOM 0 HD1 TYR A 127 -4.045 -24.169 -15.484 1.00 4.18 H new ATOM 0 HD2 TYR A 127 -1.130 -21.896 -13.277 1.00 4.83 H new ATOM 0 HE1 TYR A 127 -2.374 -24.577 -17.277 1.00 5.58 H new ATOM 0 HE2 TYR A 127 0.545 -22.283 -15.072 1.00 6.28 H new ATOM 0 HH TYR A 127 0.970 -23.311 -17.036 1.00 8.14 H new ATOM 2013 N ARG A 128 -4.044 -26.517 -12.580 1.00 3.33 N ATOM 2014 CA ARG A 128 -4.602 -27.789 -13.051 1.00 4.10 C ATOM 2015 C ARG A 128 -4.308 -28.900 -12.021 1.00 4.41 C ATOM 2016 O ARG A 128 -3.924 -30.018 -12.375 1.00 5.33 O ATOM 2017 CB ARG A 128 -4.083 -28.065 -14.474 1.00 5.79 C ATOM 2018 CG ARG A 128 -5.116 -28.715 -15.418 1.00 6.87 C ATOM 2019 CD ARG A 128 -5.596 -30.116 -15.012 1.00 7.12 C ATOM 2020 NE ARG A 128 -4.468 -31.054 -14.878 1.00 7.59 N ATOM 2021 CZ ARG A 128 -3.819 -31.692 -15.841 1.00 8.79 C ATOM 2022 NH1 ARG A 128 -4.214 -31.651 -17.098 1.00 9.73 N ATOM 2023 NH2 ARG A 128 -2.738 -32.375 -15.538 1.00 9.51 N ATOM 0 H ARG A 128 -3.212 -26.660 -12.007 1.00 3.33 H new ATOM 0 HA ARG A 128 -5.689 -27.751 -13.128 1.00 4.10 H new ATOM 0 HB2 ARG A 128 -3.749 -27.125 -14.914 1.00 5.79 H new ATOM 0 HB3 ARG A 128 -3.210 -28.715 -14.409 1.00 5.79 H new ATOM 0 HG2 ARG A 128 -5.984 -28.059 -15.485 1.00 6.87 H new ATOM 0 HG3 ARG A 128 -4.683 -28.774 -16.416 1.00 6.87 H new ATOM 0 HD2 ARG A 128 -6.136 -30.057 -14.067 1.00 7.12 H new ATOM 0 HD3 ARG A 128 -6.297 -30.492 -15.757 1.00 7.12 H new ATOM 0 HE ARG A 128 -4.147 -31.235 -13.927 1.00 7.59 H new ATOM 0 HH11 ARG A 128 -5.044 -31.116 -17.355 1.00 9.73 H new ATOM 0 HH12 ARG A 128 -3.690 -32.154 -17.814 1.00 9.73 H new ATOM 0 HH21 ARG A 128 -2.410 -32.409 -14.573 1.00 9.51 H new ATOM 0 HH22 ARG A 128 -2.227 -32.872 -16.268 1.00 9.51 H new ATOM 2037 N GLY A 129 -4.452 -28.555 -10.740 1.00 4.22 N ATOM 2038 CA GLY A 129 -4.416 -29.454 -9.580 1.00 5.30 C ATOM 2039 C GLY A 129 -5.732 -30.237 -9.400 1.00 5.59 C ATOM 2040 O GLY A 129 -6.444 -30.433 -10.388 1.00 5.86 O ATOM 0 H GLY A 129 -4.606 -27.585 -10.466 1.00 4.22 H new ATOM 0 HA2 GLY A 129 -3.591 -30.157 -9.695 1.00 5.30 H new ATOM 0 HA3 GLY A 129 -4.217 -28.873 -8.680 1.00 5.30 H new ATOM 2044 N PRO A 130 -6.044 -30.720 -8.177 1.00 6.27 N ATOM 2045 CA PRO A 130 -7.248 -31.506 -7.906 1.00 7.02 C ATOM 2046 C PRO A 130 -8.493 -30.610 -7.827 1.00 6.03 C ATOM 2047 O PRO A 130 -9.413 -30.764 -8.627 1.00 6.37 O ATOM 2048 CB PRO A 130 -6.954 -32.241 -6.591 1.00 8.16 C ATOM 2049 CG PRO A 130 -5.964 -31.331 -5.858 1.00 7.73 C ATOM 2050 CD PRO A 130 -5.199 -30.643 -6.990 1.00 7.00 C ATOM 0 HA PRO A 130 -7.473 -32.214 -8.704 1.00 7.02 H new ATOM 0 HB2 PRO A 130 -7.863 -32.391 -6.008 1.00 8.16 H new ATOM 0 HB3 PRO A 130 -6.527 -33.227 -6.774 1.00 8.16 H new ATOM 0 HG2 PRO A 130 -6.478 -30.608 -5.225 1.00 7.73 H new ATOM 0 HG3 PRO A 130 -5.297 -31.902 -5.213 1.00 7.73 H new ATOM 0 HD2 PRO A 130 -4.983 -29.605 -6.736 1.00 7.00 H new ATOM 0 HD3 PRO A 130 -4.242 -31.134 -7.164 1.00 7.00 H new ATOM 2058 N GLY A 131 -8.503 -29.656 -6.892 1.00 5.41 N ATOM 2059 CA GLY A 131 -9.503 -28.587 -6.760 1.00 4.88 C ATOM 2060 C GLY A 131 -8.890 -27.300 -6.201 1.00 3.85 C ATOM 2061 O GLY A 131 -9.563 -26.552 -5.499 1.00 4.04 O ATOM 0 H GLY A 131 -7.782 -29.603 -6.172 1.00 5.41 H new ATOM 0 HA2 GLY A 131 -9.949 -28.384 -7.734 1.00 4.88 H new ATOM 0 HA3 GLY A 131 -10.307 -28.921 -6.105 1.00 4.88 H new ATOM 2065 N GLU A 132 -7.596 -27.106 -6.464 1.00 3.17 N ATOM 2066 CA GLU A 132 -6.694 -26.190 -5.770 1.00 2.71 C ATOM 2067 C GLU A 132 -5.634 -25.659 -6.751 1.00 2.54 C ATOM 2068 O GLU A 132 -5.316 -26.314 -7.746 1.00 2.98 O ATOM 2069 CB GLU A 132 -5.971 -26.928 -4.628 1.00 3.30 C ATOM 2070 CG GLU A 132 -6.893 -27.468 -3.523 1.00 3.97 C ATOM 2071 CD GLU A 132 -6.096 -28.281 -2.507 1.00 5.38 C ATOM 2072 OE1 GLU A 132 -5.526 -29.308 -2.943 1.00 6.01 O ATOM 2073 OE2 GLU A 132 -6.071 -27.868 -1.325 1.00 6.40 O ATOM 0 H GLU A 132 -7.124 -27.615 -7.211 1.00 3.17 H new ATOM 0 HA GLU A 132 -7.281 -25.364 -5.368 1.00 2.71 H new ATOM 0 HB2 GLU A 132 -5.409 -27.760 -5.051 1.00 3.30 H new ATOM 0 HB3 GLU A 132 -5.246 -26.250 -4.178 1.00 3.30 H new ATOM 0 HG2 GLU A 132 -7.393 -26.639 -3.022 1.00 3.97 H new ATOM 0 HG3 GLU A 132 -7.672 -28.090 -3.964 1.00 3.97 H new ATOM 2080 N TYR A 133 -5.078 -24.487 -6.429 1.00 2.01 N ATOM 2081 CA TYR A 133 -4.044 -23.756 -7.176 1.00 1.76 C ATOM 2082 C TYR A 133 -3.367 -22.688 -6.287 1.00 1.70 C ATOM 2083 O TYR A 133 -3.830 -22.401 -5.183 1.00 1.81 O ATOM 2084 CB TYR A 133 -4.621 -23.159 -8.475 1.00 1.76 C ATOM 2085 CG TYR A 133 -5.843 -22.259 -8.350 1.00 1.88 C ATOM 2086 CD1 TYR A 133 -7.126 -22.842 -8.346 1.00 3.20 C ATOM 2087 CD2 TYR A 133 -5.718 -20.851 -8.332 1.00 2.11 C ATOM 2088 CE1 TYR A 133 -8.280 -22.037 -8.341 1.00 3.65 C ATOM 2089 CE2 TYR A 133 -6.874 -20.042 -8.339 1.00 2.43 C ATOM 2090 CZ TYR A 133 -8.159 -20.632 -8.363 1.00 2.84 C ATOM 2091 OH TYR A 133 -9.283 -19.869 -8.422 1.00 3.52 O ATOM 0 H TYR A 133 -5.355 -23.989 -5.583 1.00 2.01 H new ATOM 0 HA TYR A 133 -3.267 -24.462 -7.468 1.00 1.76 H new ATOM 0 HB2 TYR A 133 -3.831 -22.589 -8.963 1.00 1.76 H new ATOM 0 HB3 TYR A 133 -4.877 -23.984 -9.140 1.00 1.76 H new ATOM 0 HD1 TYR A 133 -7.224 -23.918 -8.347 1.00 3.20 H new ATOM 0 HD2 TYR A 133 -4.739 -20.395 -8.313 1.00 2.11 H new ATOM 0 HE1 TYR A 133 -9.258 -22.495 -8.320 1.00 3.65 H new ATOM 0 HE2 TYR A 133 -6.777 -18.966 -8.326 1.00 2.43 H new ATOM 0 HH TYR A 133 -9.079 -19.020 -8.868 1.00 3.52 H new ATOM 2101 N LEU A 134 -2.256 -22.110 -6.753 1.00 1.46 N ATOM 2102 CA LEU A 134 -1.485 -21.057 -6.082 1.00 1.47 C ATOM 2103 C LEU A 134 -1.645 -19.721 -6.809 1.00 1.58 C ATOM 2104 O LEU A 134 -2.003 -19.687 -7.983 1.00 1.70 O ATOM 2105 CB LEU A 134 0.004 -21.460 -6.048 1.00 1.71 C ATOM 2106 CG LEU A 134 0.304 -22.618 -5.084 1.00 2.04 C ATOM 2107 CD1 LEU A 134 1.693 -23.197 -5.394 1.00 2.65 C ATOM 2108 CD2 LEU A 134 0.242 -22.178 -3.614 1.00 3.11 C ATOM 0 H LEU A 134 -1.850 -22.375 -7.650 1.00 1.46 H new ATOM 0 HA LEU A 134 -1.859 -20.940 -5.065 1.00 1.47 H new ATOM 0 HB2 LEU A 134 0.318 -21.743 -7.052 1.00 1.71 H new ATOM 0 HB3 LEU A 134 0.600 -20.594 -5.760 1.00 1.71 H new ATOM 0 HG LEU A 134 -0.463 -23.379 -5.231 1.00 2.04 H new ATOM 0 HD11 LEU A 134 1.906 -24.019 -4.710 1.00 2.65 H new ATOM 0 HD12 LEU A 134 1.713 -23.565 -6.420 1.00 2.65 H new ATOM 0 HD13 LEU A 134 2.447 -22.419 -5.272 1.00 2.65 H new ATOM 0 HD21 LEU A 134 0.461 -23.030 -2.970 1.00 3.11 H new ATOM 0 HD22 LEU A 134 0.976 -21.392 -3.438 1.00 3.11 H new ATOM 0 HD23 LEU A 134 -0.755 -21.800 -3.389 1.00 3.11 H new ATOM 2120 N VAL A 135 -1.320 -18.636 -6.116 1.00 1.34 N ATOM 2121 CA VAL A 135 -1.353 -17.262 -6.629 1.00 1.24 C ATOM 2122 C VAL A 135 -0.132 -16.503 -6.112 1.00 1.41 C ATOM 2123 O VAL A 135 0.164 -16.510 -4.919 1.00 1.48 O ATOM 2124 CB VAL A 135 -2.693 -16.551 -6.321 1.00 1.52 C ATOM 2125 CG1 VAL A 135 -3.014 -16.451 -4.817 1.00 2.35 C ATOM 2126 CG2 VAL A 135 -2.748 -15.156 -6.966 1.00 1.82 C ATOM 0 H VAL A 135 -1.014 -18.686 -5.144 1.00 1.34 H new ATOM 0 HA VAL A 135 -1.299 -17.286 -7.717 1.00 1.24 H new ATOM 0 HB VAL A 135 -3.462 -17.185 -6.763 1.00 1.52 H new ATOM 0 HG11 VAL A 135 -3.968 -15.941 -4.682 1.00 2.35 H new ATOM 0 HG12 VAL A 135 -3.074 -17.452 -4.390 1.00 2.35 H new ATOM 0 HG13 VAL A 135 -2.227 -15.889 -4.314 1.00 2.35 H new ATOM 0 HG21 VAL A 135 -3.702 -14.684 -6.731 1.00 1.82 H new ATOM 0 HG22 VAL A 135 -1.934 -14.543 -6.578 1.00 1.82 H new ATOM 0 HG23 VAL A 135 -2.647 -15.251 -8.047 1.00 1.82 H new ATOM 2136 N ASP A 136 0.590 -15.878 -7.035 1.00 1.06 N ATOM 2137 CA ASP A 136 1.977 -15.451 -6.882 1.00 1.00 C ATOM 2138 C ASP A 136 2.035 -13.925 -7.017 1.00 1.05 C ATOM 2139 O ASP A 136 1.698 -13.383 -8.068 1.00 1.16 O ATOM 2140 CB ASP A 136 2.807 -16.142 -7.982 1.00 1.34 C ATOM 2141 CG ASP A 136 2.529 -17.647 -8.100 1.00 3.03 C ATOM 2142 OD1 ASP A 136 2.731 -18.372 -7.098 1.00 3.98 O ATOM 2143 OD2 ASP A 136 2.100 -18.080 -9.198 1.00 4.06 O ATOM 0 H ASP A 136 0.208 -15.644 -7.951 1.00 1.06 H new ATOM 0 HA ASP A 136 2.380 -15.725 -5.907 1.00 1.00 H new ATOM 0 HB2 ASP A 136 2.597 -15.665 -8.939 1.00 1.34 H new ATOM 0 HB3 ASP A 136 3.867 -15.991 -7.776 1.00 1.34 H new ATOM 2148 N HIS A 137 2.389 -13.199 -5.957 1.00 0.83 N ATOM 2149 CA HIS A 137 2.019 -11.784 -5.836 1.00 1.01 C ATOM 2150 C HIS A 137 3.113 -10.873 -5.246 1.00 1.26 C ATOM 2151 O HIS A 137 3.753 -11.187 -4.241 1.00 1.38 O ATOM 2152 CB HIS A 137 0.687 -11.690 -5.073 1.00 1.31 C ATOM 2153 CG HIS A 137 0.573 -12.497 -3.796 1.00 1.87 C ATOM 2154 ND1 HIS A 137 0.162 -13.812 -3.698 1.00 3.60 N ATOM 2155 CD2 HIS A 137 0.737 -12.040 -2.514 1.00 1.99 C ATOM 2156 CE1 HIS A 137 0.083 -14.127 -2.397 1.00 3.74 C ATOM 2157 NE2 HIS A 137 0.406 -13.072 -1.627 1.00 2.55 N ATOM 0 H HIS A 137 2.929 -13.563 -5.172 1.00 0.83 H new ATOM 0 HA HIS A 137 1.898 -11.389 -6.845 1.00 1.01 H new ATOM 0 HB2 HIS A 137 0.508 -10.643 -4.830 1.00 1.31 H new ATOM 0 HB3 HIS A 137 -0.112 -12.003 -5.745 1.00 1.31 H new ATOM 0 HD1 HIS A 137 -0.045 -14.435 -4.479 1.00 3.60 H new ATOM 0 HD2 HIS A 137 1.066 -11.050 -2.235 1.00 1.99 H new ATOM 0 HE1 HIS A 137 -0.202 -15.097 -2.018 1.00 3.74 H new ATOM 0 HE2 HIS A 137 0.409 -13.032 -0.608 1.00 2.55 H new ATOM 2166 N THR A 138 3.302 -9.716 -5.899 1.00 1.10 N ATOM 2167 CA THR A 138 4.330 -8.706 -5.598 1.00 1.08 C ATOM 2168 C THR A 138 3.951 -7.899 -4.356 1.00 1.46 C ATOM 2169 O THR A 138 3.385 -6.810 -4.450 1.00 2.17 O ATOM 2170 CB THR A 138 4.561 -7.820 -6.831 1.00 1.14 C ATOM 2171 OG1 THR A 138 4.968 -8.638 -7.903 1.00 1.73 O ATOM 2172 CG2 THR A 138 5.664 -6.779 -6.639 1.00 1.14 C ATOM 0 H THR A 138 2.715 -9.446 -6.688 1.00 1.10 H new ATOM 0 HA THR A 138 5.273 -9.202 -5.367 1.00 1.08 H new ATOM 0 HB THR A 138 3.621 -7.299 -7.014 1.00 1.14 H new ATOM 0 HG1 THR A 138 4.179 -9.023 -8.339 1.00 1.73 H new ATOM 0 HG21 THR A 138 5.771 -6.190 -7.550 1.00 1.14 H new ATOM 0 HG22 THR A 138 5.403 -6.121 -5.810 1.00 1.14 H new ATOM 0 HG23 THR A 138 6.605 -7.283 -6.420 1.00 1.14 H new ATOM 2180 N ALA A 139 4.265 -8.442 -3.178 1.00 0.92 N ATOM 2181 CA ALA A 139 4.100 -7.777 -1.883 1.00 0.89 C ATOM 2182 C ALA A 139 5.063 -6.578 -1.755 1.00 0.82 C ATOM 2183 O ALA A 139 6.221 -6.724 -1.347 1.00 1.17 O ATOM 2184 CB ALA A 139 4.304 -8.821 -0.770 1.00 1.17 C ATOM 0 H ALA A 139 4.652 -9.382 -3.096 1.00 0.92 H new ATOM 0 HA ALA A 139 3.094 -7.366 -1.793 1.00 0.89 H new ATOM 0 HB1 ALA A 139 4.185 -8.344 0.203 1.00 1.17 H new ATOM 0 HB2 ALA A 139 3.566 -9.616 -0.877 1.00 1.17 H new ATOM 0 HB3 ALA A 139 5.306 -9.243 -0.847 1.00 1.17 H new ATOM 2190 N THR A 140 4.617 -5.387 -2.170 1.00 0.85 N ATOM 2191 CA THR A 140 5.446 -4.166 -2.212 1.00 0.73 C ATOM 2192 C THR A 140 4.644 -2.940 -1.779 1.00 0.84 C ATOM 2193 O THR A 140 3.425 -2.885 -1.957 1.00 1.16 O ATOM 2194 CB THR A 140 6.064 -3.988 -3.606 1.00 0.74 C ATOM 2195 OG1 THR A 140 6.841 -5.126 -3.876 1.00 1.11 O ATOM 2196 CG2 THR A 140 7.022 -2.798 -3.726 1.00 0.72 C ATOM 0 H THR A 140 3.660 -5.237 -2.491 1.00 0.85 H new ATOM 0 HA THR A 140 6.264 -4.275 -1.499 1.00 0.73 H new ATOM 0 HB THR A 140 5.231 -3.827 -4.290 1.00 0.74 H new ATOM 0 HG1 THR A 140 7.248 -5.041 -4.763 1.00 1.11 H new ATOM 0 HG21 THR A 140 7.412 -2.746 -4.742 1.00 0.72 H new ATOM 0 HG22 THR A 140 6.488 -1.876 -3.495 1.00 0.72 H new ATOM 0 HG23 THR A 140 7.848 -2.924 -3.026 1.00 0.72 H new ATOM 2204 N THR A 141 5.353 -1.982 -1.174 1.00 0.60 N ATOM 2205 CA THR A 141 4.833 -0.708 -0.669 1.00 0.59 C ATOM 2206 C THR A 141 5.379 0.429 -1.522 1.00 0.86 C ATOM 2207 O THR A 141 6.558 0.410 -1.893 1.00 0.90 O ATOM 2208 CB THR A 141 5.236 -0.445 0.792 1.00 0.67 C ATOM 2209 OG1 THR A 141 5.451 -1.638 1.513 1.00 1.01 O ATOM 2210 CG2 THR A 141 4.184 0.353 1.558 1.00 1.08 C ATOM 0 H THR A 141 6.356 -2.079 -1.015 1.00 0.60 H new ATOM 0 HA THR A 141 3.746 -0.762 -0.719 1.00 0.59 H new ATOM 0 HB THR A 141 6.161 0.127 0.719 1.00 0.67 H new ATOM 0 HG1 THR A 141 6.276 -2.065 1.200 1.00 1.01 H new ATOM 0 HG21 THR A 141 4.521 0.509 2.583 1.00 1.08 H new ATOM 0 HG22 THR A 141 4.036 1.318 1.074 1.00 1.08 H new ATOM 0 HG23 THR A 141 3.243 -0.198 1.565 1.00 1.08 H new ATOM 2218 N PHE A 142 4.549 1.443 -1.767 1.00 0.61 N ATOM 2219 CA PHE A 142 4.867 2.590 -2.620 1.00 0.61 C ATOM 2220 C PHE A 142 4.516 3.901 -1.908 1.00 1.86 C ATOM 2221 O PHE A 142 3.368 4.108 -1.510 1.00 2.22 O ATOM 2222 CB PHE A 142 4.100 2.464 -3.948 1.00 0.66 C ATOM 2223 CG PHE A 142 4.257 1.114 -4.614 1.00 0.73 C ATOM 2224 CD1 PHE A 142 5.380 0.858 -5.418 1.00 1.81 C ATOM 2225 CD2 PHE A 142 3.323 0.088 -4.373 1.00 1.88 C ATOM 2226 CE1 PHE A 142 5.575 -0.412 -5.981 1.00 1.52 C ATOM 2227 CE2 PHE A 142 3.520 -1.186 -4.926 1.00 2.03 C ATOM 2228 CZ PHE A 142 4.651 -1.437 -5.724 1.00 0.95 C ATOM 0 H PHE A 142 3.612 1.491 -1.367 1.00 0.61 H new ATOM 0 HA PHE A 142 5.937 2.601 -2.828 1.00 0.61 H new ATOM 0 HB2 PHE A 142 3.041 2.648 -3.765 1.00 0.66 H new ATOM 0 HB3 PHE A 142 4.445 3.239 -4.632 1.00 0.66 H new ATOM 0 HD1 PHE A 142 6.098 1.644 -5.604 1.00 1.81 H new ATOM 0 HD2 PHE A 142 2.454 0.282 -3.762 1.00 1.88 H new ATOM 0 HE1 PHE A 142 6.433 -0.600 -6.610 1.00 1.52 H new ATOM 0 HE2 PHE A 142 2.804 -1.973 -4.739 1.00 2.03 H new ATOM 0 HZ PHE A 142 4.809 -2.421 -6.140 1.00 0.95 H new ATOM 2238 N VAL A 143 5.499 4.797 -1.778 1.00 0.58 N ATOM 2239 CA VAL A 143 5.347 6.081 -1.072 1.00 0.63 C ATOM 2240 C VAL A 143 5.078 7.186 -2.077 1.00 0.84 C ATOM 2241 O VAL A 143 5.894 7.465 -2.959 1.00 1.00 O ATOM 2242 CB VAL A 143 6.576 6.468 -0.224 1.00 0.67 C ATOM 2243 CG1 VAL A 143 6.335 7.790 0.531 1.00 0.85 C ATOM 2244 CG2 VAL A 143 6.866 5.371 0.806 1.00 0.97 C ATOM 0 H VAL A 143 6.433 4.654 -2.162 1.00 0.58 H new ATOM 0 HA VAL A 143 4.509 5.957 -0.386 1.00 0.63 H new ATOM 0 HB VAL A 143 7.421 6.589 -0.901 1.00 0.67 H new ATOM 0 HG11 VAL A 143 7.218 8.038 1.121 1.00 0.85 H new ATOM 0 HG12 VAL A 143 6.141 8.588 -0.186 1.00 0.85 H new ATOM 0 HG13 VAL A 143 5.476 7.680 1.193 1.00 0.85 H new ATOM 0 HG21 VAL A 143 7.735 5.651 1.401 1.00 0.97 H new ATOM 0 HG22 VAL A 143 6.003 5.249 1.460 1.00 0.97 H new ATOM 0 HG23 VAL A 143 7.067 4.432 0.291 1.00 0.97 H new ATOM 2254 N VAL A 144 3.921 7.812 -1.902 1.00 0.68 N ATOM 2255 CA VAL A 144 3.398 8.848 -2.794 1.00 0.66 C ATOM 2256 C VAL A 144 3.048 10.121 -2.018 1.00 1.05 C ATOM 2257 O VAL A 144 2.340 10.097 -1.013 1.00 0.99 O ATOM 2258 CB VAL A 144 2.206 8.338 -3.632 1.00 0.69 C ATOM 2259 CG1 VAL A 144 1.727 9.425 -4.608 1.00 1.56 C ATOM 2260 CG2 VAL A 144 2.616 7.097 -4.447 1.00 1.67 C ATOM 0 H VAL A 144 3.302 7.611 -1.117 1.00 0.68 H new ATOM 0 HA VAL A 144 4.189 9.102 -3.499 1.00 0.66 H new ATOM 0 HB VAL A 144 1.401 8.081 -2.944 1.00 0.69 H new ATOM 0 HG11 VAL A 144 0.886 9.047 -5.190 1.00 1.56 H new ATOM 0 HG12 VAL A 144 1.413 10.305 -4.047 1.00 1.56 H new ATOM 0 HG13 VAL A 144 2.541 9.695 -5.280 1.00 1.56 H new ATOM 0 HG21 VAL A 144 1.765 6.749 -5.033 1.00 1.67 H new ATOM 0 HG22 VAL A 144 3.436 7.356 -5.117 1.00 1.67 H new ATOM 0 HG23 VAL A 144 2.937 6.306 -3.769 1.00 1.67 H new ATOM 2270 N LYS A 145 3.580 11.240 -2.504 1.00 0.75 N ATOM 2271 CA LYS A 145 3.352 12.603 -2.019 1.00 0.90 C ATOM 2272 C LYS A 145 3.348 13.543 -3.240 1.00 1.24 C ATOM 2273 O LYS A 145 4.058 13.242 -4.199 1.00 1.41 O ATOM 2274 CB LYS A 145 4.493 12.908 -1.039 1.00 1.06 C ATOM 2275 CG LYS A 145 4.339 14.240 -0.302 1.00 1.35 C ATOM 2276 CD LYS A 145 5.673 14.615 0.351 1.00 1.95 C ATOM 2277 CE LYS A 145 5.629 16.059 0.855 1.00 2.01 C ATOM 2278 NZ LYS A 145 6.948 16.706 0.684 1.00 2.65 N ATOM 0 H LYS A 145 4.222 11.220 -3.296 1.00 0.75 H new ATOM 0 HA LYS A 145 2.400 12.732 -1.504 1.00 0.90 H new ATOM 0 HB2 LYS A 145 4.554 12.104 -0.306 1.00 1.06 H new ATOM 0 HB3 LYS A 145 5.436 12.913 -1.585 1.00 1.06 H new ATOM 0 HG2 LYS A 145 4.030 15.020 -0.998 1.00 1.35 H new ATOM 0 HG3 LYS A 145 3.559 14.161 0.456 1.00 1.35 H new ATOM 0 HD2 LYS A 145 5.883 13.939 1.180 1.00 1.95 H new ATOM 0 HD3 LYS A 145 6.484 14.498 -0.368 1.00 1.95 H new ATOM 0 HE2 LYS A 145 4.869 16.618 0.309 1.00 2.01 H new ATOM 0 HE3 LYS A 145 5.343 16.075 1.907 1.00 2.01 H new ATOM 0 HZ1 LYS A 145 6.931 17.649 1.122 1.00 2.65 H new ATOM 0 HZ2 LYS A 145 7.681 16.126 1.139 1.00 2.65 H new ATOM 0 HZ3 LYS A 145 7.160 16.799 -0.330 1.00 2.65 H new ATOM 2292 N GLU A 146 2.562 14.623 -3.277 1.00 1.37 N ATOM 2293 CA GLU A 146 2.535 15.556 -4.427 1.00 1.61 C ATOM 2294 C GLU A 146 2.055 14.841 -5.721 1.00 1.76 C ATOM 2295 O GLU A 146 2.450 15.199 -6.829 1.00 2.23 O ATOM 2296 CB GLU A 146 3.910 16.242 -4.637 1.00 1.77 C ATOM 2297 CG GLU A 146 4.517 16.946 -3.402 1.00 2.50 C ATOM 2298 CD GLU A 146 6.015 16.660 -3.211 1.00 3.28 C ATOM 2299 OE1 GLU A 146 6.726 16.510 -4.228 1.00 3.03 O ATOM 2300 OE2 GLU A 146 6.468 16.606 -2.042 1.00 4.70 O ATOM 0 H GLU A 146 1.928 14.881 -2.521 1.00 1.37 H new ATOM 0 HA GLU A 146 1.814 16.340 -4.195 1.00 1.61 H new ATOM 0 HB2 GLU A 146 4.618 15.490 -4.985 1.00 1.77 H new ATOM 0 HB3 GLU A 146 3.808 16.978 -5.435 1.00 1.77 H new ATOM 0 HG2 GLU A 146 4.369 18.022 -3.497 1.00 2.50 H new ATOM 0 HG3 GLU A 146 3.977 16.628 -2.510 1.00 2.50 H new ATOM 2307 N GLY A 147 1.278 13.754 -5.581 1.00 1.43 N ATOM 2308 CA GLY A 147 0.832 12.886 -6.676 1.00 1.40 C ATOM 2309 C GLY A 147 1.904 11.959 -7.269 1.00 1.27 C ATOM 2310 O GLY A 147 1.608 11.285 -8.258 1.00 1.29 O ATOM 0 H GLY A 147 0.933 13.448 -4.671 1.00 1.43 H new ATOM 0 HA2 GLY A 147 0.006 12.273 -6.316 1.00 1.40 H new ATOM 0 HA3 GLY A 147 0.438 13.514 -7.475 1.00 1.40 H new ATOM 2314 N ARG A 148 3.134 11.921 -6.729 1.00 1.17 N ATOM 2315 CA ARG A 148 4.280 11.210 -7.327 1.00 1.06 C ATOM 2316 C ARG A 148 4.997 10.211 -6.409 1.00 1.28 C ATOM 2317 O ARG A 148 5.194 10.428 -5.214 1.00 1.55 O ATOM 2318 CB ARG A 148 5.284 12.198 -7.950 1.00 1.14 C ATOM 2319 CG ARG A 148 5.662 13.353 -7.031 1.00 1.65 C ATOM 2320 CD ARG A 148 6.853 14.115 -7.606 1.00 1.84 C ATOM 2321 NE ARG A 148 7.378 15.122 -6.669 1.00 2.97 N ATOM 2322 CZ ARG A 148 8.516 15.786 -6.796 1.00 3.92 C ATOM 2323 NH1 ARG A 148 9.284 15.654 -7.863 1.00 4.20 N ATOM 2324 NH2 ARG A 148 8.876 16.602 -5.836 1.00 5.06 N ATOM 0 H ARG A 148 3.365 12.389 -5.853 1.00 1.17 H new ATOM 0 HA ARG A 148 3.834 10.594 -8.108 1.00 1.06 H new ATOM 0 HB2 ARG A 148 6.188 11.656 -8.227 1.00 1.14 H new ATOM 0 HB3 ARG A 148 4.859 12.601 -8.869 1.00 1.14 H new ATOM 0 HG2 ARG A 148 4.813 14.026 -6.913 1.00 1.65 H new ATOM 0 HG3 ARG A 148 5.908 12.973 -6.039 1.00 1.65 H new ATOM 0 HD2 ARG A 148 7.645 13.410 -7.859 1.00 1.84 H new ATOM 0 HD3 ARG A 148 6.555 14.605 -8.533 1.00 1.84 H new ATOM 0 HE ARG A 148 6.812 15.327 -5.845 1.00 2.97 H new ATOM 0 HH11 ARG A 148 9.005 15.027 -8.618 1.00 4.20 H new ATOM 0 HH12 ARG A 148 10.156 16.179 -7.932 1.00 4.20 H new ATOM 0 HH21 ARG A 148 8.284 16.715 -5.013 1.00 5.06 H new ATOM 0 HH22 ARG A 148 9.749 17.125 -5.911 1.00 5.06 H new ATOM 2338 N LEU A 149 5.432 9.103 -7.015 1.00 0.79 N ATOM 2339 CA LEU A 149 6.085 7.967 -6.371 1.00 0.66 C ATOM 2340 C LEU A 149 7.552 8.307 -6.091 1.00 1.02 C ATOM 2341 O LEU A 149 8.361 8.357 -7.014 1.00 1.38 O ATOM 2342 CB LEU A 149 5.933 6.722 -7.277 1.00 0.63 C ATOM 2343 CG LEU A 149 5.772 5.384 -6.529 1.00 0.92 C ATOM 2344 CD1 LEU A 149 5.827 4.239 -7.546 1.00 1.71 C ATOM 2345 CD2 LEU A 149 6.825 5.122 -5.447 1.00 2.22 C ATOM 0 H LEU A 149 5.331 8.970 -8.021 1.00 0.79 H new ATOM 0 HA LEU A 149 5.617 7.745 -5.412 1.00 0.66 H new ATOM 0 HB2 LEU A 149 5.067 6.866 -7.923 1.00 0.63 H new ATOM 0 HB3 LEU A 149 6.807 6.655 -7.925 1.00 0.63 H new ATOM 0 HG LEU A 149 4.812 5.442 -6.015 1.00 0.92 H new ATOM 0 HD11 LEU A 149 5.714 3.287 -7.028 1.00 1.71 H new ATOM 0 HD12 LEU A 149 5.021 4.356 -8.270 1.00 1.71 H new ATOM 0 HD13 LEU A 149 6.786 4.259 -8.064 1.00 1.71 H new ATOM 0 HD21 LEU A 149 6.631 4.158 -4.976 1.00 2.22 H new ATOM 0 HD22 LEU A 149 7.817 5.111 -5.899 1.00 2.22 H new ATOM 0 HD23 LEU A 149 6.778 5.910 -4.695 1.00 2.22 H new ATOM 2357 N VAL A 150 7.872 8.536 -4.820 1.00 0.74 N ATOM 2358 CA VAL A 150 9.212 8.946 -4.356 1.00 0.94 C ATOM 2359 C VAL A 150 10.025 7.808 -3.727 1.00 1.25 C ATOM 2360 O VAL A 150 11.250 7.909 -3.676 1.00 1.53 O ATOM 2361 CB VAL A 150 9.128 10.137 -3.369 1.00 1.21 C ATOM 2362 CG1 VAL A 150 8.737 11.411 -4.131 1.00 1.77 C ATOM 2363 CG2 VAL A 150 8.134 9.899 -2.218 1.00 1.40 C ATOM 0 H VAL A 150 7.198 8.442 -4.060 1.00 0.74 H new ATOM 0 HA VAL A 150 9.743 9.254 -5.257 1.00 0.94 H new ATOM 0 HB VAL A 150 10.115 10.246 -2.919 1.00 1.21 H new ATOM 0 HG11 VAL A 150 8.678 12.248 -3.435 1.00 1.77 H new ATOM 0 HG12 VAL A 150 9.487 11.624 -4.892 1.00 1.77 H new ATOM 0 HG13 VAL A 150 7.767 11.267 -4.607 1.00 1.77 H new ATOM 0 HG21 VAL A 150 8.122 10.769 -1.562 1.00 1.40 H new ATOM 0 HG22 VAL A 150 7.136 9.738 -2.626 1.00 1.40 H new ATOM 0 HG23 VAL A 150 8.439 9.021 -1.649 1.00 1.40 H new ATOM 2373 N LEU A 151 9.385 6.727 -3.257 1.00 0.72 N ATOM 2374 CA LEU A 151 10.075 5.687 -2.482 1.00 0.73 C ATOM 2375 C LEU A 151 9.356 4.329 -2.510 1.00 1.13 C ATOM 2376 O LEU A 151 8.124 4.267 -2.556 1.00 1.26 O ATOM 2377 CB LEU A 151 10.315 6.217 -1.044 1.00 0.78 C ATOM 2378 CG LEU A 151 11.743 5.976 -0.519 1.00 1.24 C ATOM 2379 CD1 LEU A 151 12.232 7.101 0.391 1.00 1.37 C ATOM 2380 CD2 LEU A 151 11.896 4.617 0.145 1.00 1.30 C ATOM 0 H LEU A 151 8.391 6.551 -3.400 1.00 0.72 H new ATOM 0 HA LEU A 151 11.038 5.483 -2.951 1.00 0.73 H new ATOM 0 HB2 LEU A 151 10.106 7.287 -1.022 1.00 0.78 H new ATOM 0 HB3 LEU A 151 9.605 5.740 -0.368 1.00 0.78 H new ATOM 0 HG LEU A 151 12.387 5.977 -1.399 1.00 1.24 H new ATOM 0 HD11 LEU A 151 13.243 6.879 0.732 1.00 1.37 H new ATOM 0 HD12 LEU A 151 12.233 8.041 -0.161 1.00 1.37 H new ATOM 0 HD13 LEU A 151 11.569 7.186 1.252 1.00 1.37 H new ATOM 0 HD21 LEU A 151 12.921 4.497 0.497 1.00 1.30 H new ATOM 0 HD22 LEU A 151 11.211 4.546 0.990 1.00 1.30 H new ATOM 0 HD23 LEU A 151 11.666 3.832 -0.576 1.00 1.30 H new ATOM 2392 N LEU A 152 10.148 3.253 -2.491 1.00 0.74 N ATOM 2393 CA LEU A 152 9.714 1.850 -2.456 1.00 0.73 C ATOM 2394 C LEU A 152 10.174 1.177 -1.156 1.00 1.22 C ATOM 2395 O LEU A 152 11.341 1.297 -0.767 1.00 1.32 O ATOM 2396 CB LEU A 152 10.320 1.076 -3.648 1.00 0.83 C ATOM 2397 CG LEU A 152 10.198 1.731 -5.039 1.00 0.82 C ATOM 2398 CD1 LEU A 152 10.989 0.906 -6.065 1.00 1.14 C ATOM 2399 CD2 LEU A 152 8.736 1.829 -5.472 1.00 0.81 C ATOM 0 H LEU A 152 11.164 3.340 -2.500 1.00 0.74 H new ATOM 0 HA LEU A 152 8.626 1.833 -2.513 1.00 0.73 H new ATOM 0 HB2 LEU A 152 11.378 0.910 -3.443 1.00 0.83 H new ATOM 0 HB3 LEU A 152 9.846 0.095 -3.692 1.00 0.83 H new ATOM 0 HG LEU A 152 10.606 2.740 -4.983 1.00 0.82 H new ATOM 0 HD11 LEU A 152 10.903 1.369 -7.048 1.00 1.14 H new ATOM 0 HD12 LEU A 152 12.038 0.870 -5.772 1.00 1.14 H new ATOM 0 HD13 LEU A 152 10.588 -0.107 -6.104 1.00 1.14 H new ATOM 0 HD21 LEU A 152 8.678 2.294 -6.456 1.00 0.81 H new ATOM 0 HD22 LEU A 152 8.302 0.830 -5.517 1.00 0.81 H new ATOM 0 HD23 LEU A 152 8.183 2.432 -4.752 1.00 0.81 H new ATOM 2411 N TYR A 153 9.284 0.396 -0.532 1.00 0.77 N ATOM 2412 CA TYR A 153 9.609 -0.509 0.579 1.00 0.77 C ATOM 2413 C TYR A 153 9.171 -1.954 0.271 1.00 1.23 C ATOM 2414 O TYR A 153 7.994 -2.233 0.021 1.00 1.71 O ATOM 2415 CB TYR A 153 8.937 -0.067 1.899 1.00 0.85 C ATOM 2416 CG TYR A 153 9.175 1.344 2.415 1.00 0.82 C ATOM 2417 CD1 TYR A 153 10.481 1.840 2.570 1.00 1.51 C ATOM 2418 CD2 TYR A 153 8.079 2.121 2.848 1.00 2.11 C ATOM 2419 CE1 TYR A 153 10.693 3.113 3.132 1.00 1.61 C ATOM 2420 CE2 TYR A 153 8.285 3.395 3.410 1.00 2.57 C ATOM 2421 CZ TYR A 153 9.593 3.901 3.548 1.00 1.77 C ATOM 2422 OH TYR A 153 9.789 5.145 4.061 1.00 2.47 O ATOM 0 H TYR A 153 8.297 0.374 -0.790 1.00 0.77 H new ATOM 0 HA TYR A 153 10.692 -0.468 0.697 1.00 0.77 H new ATOM 0 HB2 TYR A 153 7.861 -0.196 1.779 1.00 0.85 H new ATOM 0 HB3 TYR A 153 9.256 -0.760 2.678 1.00 0.85 H new ATOM 0 HD1 TYR A 153 11.324 1.243 2.257 1.00 1.51 H new ATOM 0 HD2 TYR A 153 7.075 1.735 2.747 1.00 2.11 H new ATOM 0 HE1 TYR A 153 11.699 3.490 3.246 1.00 1.61 H new ATOM 0 HE2 TYR A 153 7.441 3.985 3.735 1.00 2.57 H new ATOM 0 HH TYR A 153 10.578 5.550 3.644 1.00 2.47 H new ATOM 2432 N SER A 154 10.090 -2.915 0.395 1.00 0.88 N ATOM 2433 CA SER A 154 9.740 -4.313 0.710 1.00 0.88 C ATOM 2434 C SER A 154 8.933 -4.425 2.023 1.00 1.17 C ATOM 2435 O SER A 154 9.013 -3.500 2.840 1.00 1.39 O ATOM 2436 CB SER A 154 11.021 -5.123 0.966 1.00 1.31 C ATOM 2437 OG SER A 154 12.085 -4.848 0.082 1.00 1.49 O ATOM 0 H SER A 154 11.091 -2.754 0.282 1.00 0.88 H new ATOM 0 HA SER A 154 9.161 -4.681 -0.137 1.00 0.88 H new ATOM 0 HB2 SER A 154 11.356 -4.932 1.985 1.00 1.31 H new ATOM 0 HB3 SER A 154 10.781 -6.184 0.903 1.00 1.31 H new ATOM 0 HG SER A 154 12.926 -5.160 0.476 1.00 1.49 H new ATOM 2443 N PRO A 155 8.302 -5.579 2.323 1.00 0.89 N ATOM 2444 CA PRO A 155 7.952 -5.934 3.696 1.00 0.99 C ATOM 2445 C PRO A 155 9.198 -5.906 4.595 1.00 1.11 C ATOM 2446 O PRO A 155 9.163 -5.267 5.642 1.00 1.04 O ATOM 2447 CB PRO A 155 7.311 -7.324 3.621 1.00 1.16 C ATOM 2448 CG PRO A 155 7.852 -7.916 2.322 1.00 1.03 C ATOM 2449 CD PRO A 155 7.989 -6.687 1.428 1.00 0.93 C ATOM 0 HA PRO A 155 7.256 -5.223 4.141 1.00 0.99 H new ATOM 0 HB2 PRO A 155 7.584 -7.935 4.481 1.00 1.16 H new ATOM 0 HB3 PRO A 155 6.223 -7.261 3.607 1.00 1.16 H new ATOM 0 HG2 PRO A 155 8.808 -8.417 2.472 1.00 1.03 H new ATOM 0 HG3 PRO A 155 7.170 -8.652 1.897 1.00 1.03 H new ATOM 0 HD2 PRO A 155 8.777 -6.827 0.688 1.00 0.93 H new ATOM 0 HD3 PRO A 155 7.067 -6.498 0.879 1.00 0.93 H new ATOM 2457 N ASP A 156 10.332 -6.472 4.149 1.00 0.87 N ATOM 2458 CA ASP A 156 11.604 -6.470 4.896 1.00 0.97 C ATOM 2459 C ASP A 156 12.226 -5.068 5.107 1.00 1.15 C ATOM 2460 O ASP A 156 13.241 -4.923 5.786 1.00 1.48 O ATOM 2461 CB ASP A 156 12.595 -7.468 4.243 1.00 1.15 C ATOM 2462 CG ASP A 156 13.717 -6.825 3.404 1.00 1.41 C ATOM 2463 OD1 ASP A 156 13.428 -6.117 2.404 1.00 2.02 O ATOM 2464 OD2 ASP A 156 14.906 -6.940 3.779 1.00 2.45 O ATOM 0 H ASP A 156 10.393 -6.949 3.250 1.00 0.87 H new ATOM 0 HA ASP A 156 11.376 -6.803 5.908 1.00 0.97 H new ATOM 0 HB2 ASP A 156 13.051 -8.070 5.029 1.00 1.15 H new ATOM 0 HB3 ASP A 156 12.032 -8.150 3.606 1.00 1.15 H new ATOM 2469 N LYS A 157 11.622 -4.025 4.527 1.00 0.92 N ATOM 2470 CA LYS A 157 11.868 -2.625 4.862 1.00 0.97 C ATOM 2471 C LYS A 157 10.732 -2.059 5.736 1.00 1.31 C ATOM 2472 O LYS A 157 11.020 -1.449 6.765 1.00 1.43 O ATOM 2473 CB LYS A 157 12.026 -1.802 3.571 1.00 1.11 C ATOM 2474 CG LYS A 157 13.152 -2.214 2.606 1.00 1.36 C ATOM 2475 CD LYS A 157 14.577 -1.952 3.120 1.00 1.69 C ATOM 2476 CE LYS A 157 15.143 -3.057 4.022 1.00 2.36 C ATOM 2477 NZ LYS A 157 15.371 -4.321 3.287 1.00 2.77 N ATOM 0 H LYS A 157 10.927 -4.140 3.789 1.00 0.92 H new ATOM 0 HA LYS A 157 12.791 -2.560 5.438 1.00 0.97 H new ATOM 0 HB2 LYS A 157 11.083 -1.844 3.026 1.00 1.11 H new ATOM 0 HB3 LYS A 157 12.186 -0.761 3.852 1.00 1.11 H new ATOM 0 HG2 LYS A 157 13.051 -3.277 2.386 1.00 1.36 H new ATOM 0 HG3 LYS A 157 13.017 -1.680 1.665 1.00 1.36 H new ATOM 0 HD2 LYS A 157 15.240 -1.824 2.264 1.00 1.69 H new ATOM 0 HD3 LYS A 157 14.583 -1.012 3.672 1.00 1.69 H new ATOM 0 HE2 LYS A 157 16.082 -2.720 4.460 1.00 2.36 H new ATOM 0 HE3 LYS A 157 14.454 -3.238 4.847 1.00 2.36 H new ATOM 0 HZ1 LYS A 157 15.523 -5.094 3.965 1.00 2.77 H new ATOM 0 HZ2 LYS A 157 14.541 -4.535 2.698 1.00 2.77 H new ATOM 0 HZ3 LYS A 157 16.210 -4.223 2.680 1.00 2.77 H new ATOM 2491 N ALA A 158 9.468 -2.269 5.352 1.00 0.89 N ATOM 2492 CA ALA A 158 8.280 -1.764 6.035 1.00 0.92 C ATOM 2493 C ALA A 158 8.231 -2.169 7.516 1.00 1.05 C ATOM 2494 O ALA A 158 7.926 -1.336 8.369 1.00 1.03 O ATOM 2495 CB ALA A 158 7.042 -2.256 5.275 1.00 1.02 C ATOM 0 H ALA A 158 9.240 -2.818 4.523 1.00 0.89 H new ATOM 0 HA ALA A 158 8.310 -0.674 6.034 1.00 0.92 H new ATOM 0 HB1 ALA A 158 6.142 -1.890 5.769 1.00 1.02 H new ATOM 0 HB2 ALA A 158 7.071 -1.883 4.251 1.00 1.02 H new ATOM 0 HB3 ALA A 158 7.031 -3.346 5.264 1.00 1.02 H new ATOM 2501 N GLU A 159 8.596 -3.423 7.816 1.00 0.78 N ATOM 2502 CA GLU A 159 8.541 -3.993 9.167 1.00 0.76 C ATOM 2503 C GLU A 159 9.530 -3.320 10.149 1.00 1.06 C ATOM 2504 O GLU A 159 9.344 -3.388 11.364 1.00 1.29 O ATOM 2505 CB GLU A 159 8.622 -5.537 9.082 1.00 0.97 C ATOM 2506 CG GLU A 159 7.366 -6.035 8.331 1.00 1.39 C ATOM 2507 CD GLU A 159 7.153 -7.539 8.196 1.00 1.87 C ATOM 2508 OE1 GLU A 159 8.075 -8.310 8.519 1.00 2.29 O ATOM 2509 OE2 GLU A 159 6.034 -7.896 7.747 1.00 2.86 O ATOM 0 H GLU A 159 8.943 -4.079 7.116 1.00 0.78 H new ATOM 0 HA GLU A 159 7.576 -3.763 9.619 1.00 0.76 H new ATOM 0 HB2 GLU A 159 9.527 -5.844 8.558 1.00 0.97 H new ATOM 0 HB3 GLU A 159 8.668 -5.973 10.080 1.00 0.97 H new ATOM 0 HG2 GLU A 159 6.492 -5.619 8.833 1.00 1.39 H new ATOM 0 HG3 GLU A 159 7.389 -5.611 7.327 1.00 1.39 H new ATOM 2516 N ALA A 160 10.509 -2.548 9.653 1.00 0.75 N ATOM 2517 CA ALA A 160 11.333 -1.641 10.456 1.00 0.75 C ATOM 2518 C ALA A 160 10.630 -0.282 10.675 1.00 0.94 C ATOM 2519 O ALA A 160 11.067 0.752 10.150 1.00 0.87 O ATOM 2520 CB ALA A 160 12.724 -1.522 9.811 1.00 0.82 C ATOM 0 H ALA A 160 10.752 -2.539 8.662 1.00 0.75 H new ATOM 0 HA ALA A 160 11.470 -2.050 11.457 1.00 0.75 H new ATOM 0 HB1 ALA A 160 13.343 -0.848 10.403 1.00 0.82 H new ATOM 0 HB2 ALA A 160 13.192 -2.505 9.772 1.00 0.82 H new ATOM 0 HB3 ALA A 160 12.624 -1.128 8.800 1.00 0.82 H new ATOM 2526 N THR A 161 9.557 -0.304 11.490 1.00 0.75 N ATOM 2527 CA THR A 161 8.693 0.846 11.855 1.00 0.78 C ATOM 2528 C THR A 161 9.466 2.159 11.963 1.00 0.94 C ATOM 2529 O THR A 161 9.171 3.115 11.252 1.00 1.17 O ATOM 2530 CB THR A 161 7.957 0.607 13.188 1.00 0.86 C ATOM 2531 OG1 THR A 161 7.059 -0.472 13.074 1.00 1.01 O ATOM 2532 CG2 THR A 161 7.110 1.809 13.619 1.00 1.00 C ATOM 0 H THR A 161 9.250 -1.168 11.937 1.00 0.75 H new ATOM 0 HA THR A 161 7.972 0.929 11.041 1.00 0.78 H new ATOM 0 HB THR A 161 8.742 0.416 13.920 1.00 0.86 H new ATOM 0 HG1 THR A 161 6.603 -0.610 13.930 1.00 1.01 H new ATOM 0 HG21 THR A 161 6.614 1.585 14.564 1.00 1.00 H new ATOM 0 HG22 THR A 161 7.752 2.681 13.744 1.00 1.00 H new ATOM 0 HG23 THR A 161 6.360 2.018 12.856 1.00 1.00 H new ATOM 2540 N ASP A 162 10.447 2.233 12.861 1.00 0.85 N ATOM 2541 CA ASP A 162 11.096 3.496 13.229 1.00 0.92 C ATOM 2542 C ASP A 162 11.959 4.064 12.092 1.00 1.19 C ATOM 2543 O ASP A 162 12.006 5.276 11.890 1.00 1.27 O ATOM 2544 CB ASP A 162 11.905 3.273 14.513 1.00 1.04 C ATOM 2545 CG ASP A 162 11.021 2.646 15.599 1.00 1.77 C ATOM 2546 OD1 ASP A 162 10.283 3.405 16.268 1.00 2.45 O ATOM 2547 OD2 ASP A 162 11.023 1.395 15.658 1.00 2.98 O ATOM 0 H ASP A 162 10.816 1.421 13.355 1.00 0.85 H new ATOM 0 HA ASP A 162 10.330 4.250 13.411 1.00 0.92 H new ATOM 0 HB2 ASP A 162 12.755 2.623 14.307 1.00 1.04 H new ATOM 0 HB3 ASP A 162 12.308 4.222 14.866 1.00 1.04 H new ATOM 2552 N ARG A 163 12.570 3.196 11.274 1.00 0.92 N ATOM 2553 CA ARG A 163 13.206 3.576 10.013 1.00 0.98 C ATOM 2554 C ARG A 163 12.182 4.118 9.017 1.00 1.10 C ATOM 2555 O ARG A 163 12.443 5.158 8.422 1.00 1.36 O ATOM 2556 CB ARG A 163 13.965 2.373 9.428 1.00 1.06 C ATOM 2557 CG ARG A 163 15.352 2.190 10.049 1.00 1.28 C ATOM 2558 CD ARG A 163 15.426 2.145 11.582 1.00 1.99 C ATOM 2559 NE ARG A 163 16.798 1.851 12.042 1.00 2.16 N ATOM 2560 CZ ARG A 163 17.821 2.697 12.153 1.00 2.61 C ATOM 2561 NH1 ARG A 163 17.708 3.987 11.907 1.00 3.19 N ATOM 2562 NH2 ARG A 163 19.001 2.236 12.517 1.00 3.23 N ATOM 0 H ARG A 163 12.635 2.198 11.476 1.00 0.92 H new ATOM 0 HA ARG A 163 13.919 4.377 10.211 1.00 0.98 H new ATOM 0 HB2 ARG A 163 13.379 1.468 9.585 1.00 1.06 H new ATOM 0 HB3 ARG A 163 14.068 2.503 8.351 1.00 1.06 H new ATOM 0 HG2 ARG A 163 15.778 1.264 9.661 1.00 1.28 H new ATOM 0 HG3 ARG A 163 15.989 3.004 9.702 1.00 1.28 H new ATOM 0 HD2 ARG A 163 15.099 3.100 11.993 1.00 1.99 H new ATOM 0 HD3 ARG A 163 14.742 1.385 11.960 1.00 1.99 H new ATOM 0 HE ARG A 163 16.985 0.884 12.307 1.00 2.16 H new ATOM 0 HH11 ARG A 163 16.810 4.374 11.619 1.00 3.19 H new ATOM 0 HH12 ARG A 163 18.519 4.598 12.005 1.00 3.19 H new ATOM 0 HH21 ARG A 163 19.123 1.242 12.710 1.00 3.23 H new ATOM 0 HH22 ARG A 163 19.792 2.873 12.606 1.00 3.23 H new ATOM 2576 N VAL A 164 11.011 3.487 8.895 1.00 0.90 N ATOM 2577 CA VAL A 164 9.911 4.003 8.056 1.00 0.90 C ATOM 2578 C VAL A 164 9.411 5.363 8.568 1.00 1.08 C ATOM 2579 O VAL A 164 9.230 6.266 7.763 1.00 1.16 O ATOM 2580 CB VAL A 164 8.759 2.977 7.933 1.00 0.90 C ATOM 2581 CG1 VAL A 164 7.499 3.547 7.260 1.00 0.91 C ATOM 2582 CG2 VAL A 164 9.226 1.752 7.138 1.00 1.14 C ATOM 0 H VAL A 164 10.793 2.610 9.369 1.00 0.90 H new ATOM 0 HA VAL A 164 10.307 4.159 7.053 1.00 0.90 H new ATOM 0 HB VAL A 164 8.491 2.704 8.954 1.00 0.90 H new ATOM 0 HG11 VAL A 164 6.733 2.773 7.207 1.00 0.91 H new ATOM 0 HG12 VAL A 164 7.125 4.389 7.842 1.00 0.91 H new ATOM 0 HG13 VAL A 164 7.745 3.883 6.253 1.00 0.91 H new ATOM 0 HG21 VAL A 164 8.407 1.037 7.058 1.00 1.14 H new ATOM 0 HG22 VAL A 164 9.536 2.062 6.140 1.00 1.14 H new ATOM 0 HG23 VAL A 164 10.067 1.285 7.650 1.00 1.14 H new ATOM 2592 N VAL A 165 9.263 5.552 9.885 1.00 0.86 N ATOM 2593 CA VAL A 165 8.902 6.864 10.473 1.00 0.86 C ATOM 2594 C VAL A 165 9.904 7.958 10.065 1.00 1.08 C ATOM 2595 O VAL A 165 9.496 9.038 9.637 1.00 1.22 O ATOM 2596 CB VAL A 165 8.794 6.789 12.015 1.00 0.89 C ATOM 2597 CG1 VAL A 165 8.676 8.172 12.687 1.00 0.96 C ATOM 2598 CG2 VAL A 165 7.561 5.975 12.430 1.00 1.22 C ATOM 0 H VAL A 165 9.387 4.811 10.575 1.00 0.86 H new ATOM 0 HA VAL A 165 7.922 7.128 10.076 1.00 0.86 H new ATOM 0 HB VAL A 165 9.718 6.316 12.346 1.00 0.89 H new ATOM 0 HG11 VAL A 165 8.604 8.047 13.767 1.00 0.96 H new ATOM 0 HG12 VAL A 165 9.557 8.769 12.449 1.00 0.96 H new ATOM 0 HG13 VAL A 165 7.784 8.680 12.320 1.00 0.96 H new ATOM 0 HG21 VAL A 165 7.502 5.933 13.518 1.00 1.22 H new ATOM 0 HG22 VAL A 165 6.662 6.449 12.036 1.00 1.22 H new ATOM 0 HG23 VAL A 165 7.642 4.964 12.032 1.00 1.22 H new ATOM 2608 N ALA A 166 11.208 7.692 10.202 1.00 0.91 N ATOM 2609 CA ALA A 166 12.280 8.646 9.908 1.00 1.00 C ATOM 2610 C ALA A 166 12.462 8.927 8.405 1.00 1.19 C ATOM 2611 O ALA A 166 12.676 10.077 8.026 1.00 1.29 O ATOM 2612 CB ALA A 166 13.560 8.093 10.547 1.00 1.14 C ATOM 0 H ALA A 166 11.553 6.789 10.527 1.00 0.91 H new ATOM 0 HA ALA A 166 12.021 9.618 10.328 1.00 1.00 H new ATOM 0 HB1 ALA A 166 14.388 8.775 10.352 1.00 1.14 H new ATOM 0 HB2 ALA A 166 13.416 7.995 11.623 1.00 1.14 H new ATOM 0 HB3 ALA A 166 13.787 7.116 10.121 1.00 1.14 H new ATOM 2618 N ASP A 167 12.337 7.922 7.537 1.00 1.13 N ATOM 2619 CA ASP A 167 12.458 8.095 6.087 1.00 1.34 C ATOM 2620 C ASP A 167 11.219 8.796 5.498 1.00 1.51 C ATOM 2621 O ASP A 167 11.341 9.680 4.649 1.00 1.55 O ATOM 2622 CB ASP A 167 12.701 6.706 5.493 1.00 1.62 C ATOM 2623 CG ASP A 167 12.940 6.717 3.989 1.00 1.45 C ATOM 2624 OD1 ASP A 167 13.774 7.522 3.514 1.00 2.32 O ATOM 2625 OD2 ASP A 167 12.273 5.893 3.329 1.00 2.08 O ATOM 0 H ASP A 167 12.148 6.961 7.820 1.00 1.13 H new ATOM 0 HA ASP A 167 13.293 8.749 5.836 1.00 1.34 H new ATOM 0 HB2 ASP A 167 13.563 6.255 5.986 1.00 1.62 H new ATOM 0 HB3 ASP A 167 11.842 6.072 5.711 1.00 1.62 H new ATOM 2630 N LEU A 168 10.023 8.519 6.034 1.00 1.27 N ATOM 2631 CA LEU A 168 8.837 9.333 5.756 1.00 1.36 C ATOM 2632 C LEU A 168 9.020 10.774 6.244 1.00 1.69 C ATOM 2633 O LEU A 168 8.629 11.697 5.535 1.00 1.96 O ATOM 2634 CB LEU A 168 7.587 8.694 6.384 1.00 1.35 C ATOM 2635 CG LEU A 168 7.115 7.394 5.699 1.00 1.58 C ATOM 2636 CD1 LEU A 168 5.996 6.767 6.543 1.00 1.79 C ATOM 2637 CD2 LEU A 168 6.596 7.643 4.275 1.00 1.86 C ATOM 0 H LEU A 168 9.853 7.735 6.664 1.00 1.27 H new ATOM 0 HA LEU A 168 8.700 9.369 4.675 1.00 1.36 H new ATOM 0 HB2 LEU A 168 7.792 8.482 7.433 1.00 1.35 H new ATOM 0 HB3 LEU A 168 6.773 9.419 6.358 1.00 1.35 H new ATOM 0 HG LEU A 168 7.971 6.723 5.624 1.00 1.58 H new ATOM 0 HD11 LEU A 168 5.654 5.847 6.068 1.00 1.79 H new ATOM 0 HD12 LEU A 168 6.375 6.542 7.540 1.00 1.79 H new ATOM 0 HD13 LEU A 168 5.163 7.466 6.621 1.00 1.79 H new ATOM 0 HD21 LEU A 168 6.276 6.699 3.834 1.00 1.86 H new ATOM 0 HD22 LEU A 168 5.752 8.332 4.311 1.00 1.86 H new ATOM 0 HD23 LEU A 168 7.392 8.075 3.668 1.00 1.86 H new ATOM 2649 N GLN A 169 9.636 11.014 7.405 1.00 1.19 N ATOM 2650 CA GLN A 169 9.942 12.374 7.879 1.00 1.20 C ATOM 2651 C GLN A 169 10.915 13.110 6.950 1.00 1.63 C ATOM 2652 O GLN A 169 10.742 14.298 6.654 1.00 1.76 O ATOM 2653 CB GLN A 169 10.502 12.327 9.306 1.00 1.10 C ATOM 2654 CG GLN A 169 9.389 12.351 10.362 1.00 1.18 C ATOM 2655 CD GLN A 169 9.902 12.683 11.761 1.00 1.50 C ATOM 2656 OE1 GLN A 169 10.924 13.320 11.948 1.00 2.82 O ATOM 2657 NE2 GLN A 169 9.200 12.312 12.814 1.00 2.08 N ATOM 0 H GLN A 169 9.937 10.277 8.043 1.00 1.19 H new ATOM 0 HA GLN A 169 9.007 12.934 7.876 1.00 1.20 H new ATOM 0 HB2 GLN A 169 11.101 11.425 9.431 1.00 1.10 H new ATOM 0 HB3 GLN A 169 11.168 13.176 9.462 1.00 1.10 H new ATOM 0 HG2 GLN A 169 8.637 13.085 10.073 1.00 1.18 H new ATOM 0 HG3 GLN A 169 8.895 11.380 10.383 1.00 1.18 H new ATOM 0 HE21 GLN A 169 8.340 11.778 12.691 1.00 2.08 H new ATOM 0 HE22 GLN A 169 9.517 12.559 13.751 1.00 2.08 H new ATOM 2666 N ALA A 170 11.909 12.399 6.424 1.00 1.58 N ATOM 2667 CA ALA A 170 12.824 12.934 5.435 1.00 1.93 C ATOM 2668 C ALA A 170 12.116 13.404 4.158 1.00 2.06 C ATOM 2669 O ALA A 170 12.563 14.390 3.571 1.00 2.28 O ATOM 2670 CB ALA A 170 13.866 11.866 5.146 1.00 2.04 C ATOM 0 H ALA A 170 12.099 11.429 6.678 1.00 1.58 H new ATOM 0 HA ALA A 170 13.300 13.830 5.833 1.00 1.93 H new ATOM 0 HB1 ALA A 170 14.572 12.238 4.403 1.00 2.04 H new ATOM 0 HB2 ALA A 170 14.400 11.621 6.064 1.00 2.04 H new ATOM 0 HB3 ALA A 170 13.374 10.972 4.763 1.00 2.04 H new ATOM 2676 N LEU A 171 10.989 12.788 3.780 1.00 2.03 N ATOM 2677 CA LEU A 171 10.148 13.138 2.626 1.00 2.11 C ATOM 2678 C LEU A 171 9.014 14.131 2.937 1.00 2.31 C ATOM 2679 O LEU A 171 8.517 14.776 2.012 1.00 2.70 O ATOM 2680 CB LEU A 171 9.499 11.845 2.105 1.00 1.94 C ATOM 2681 CG LEU A 171 10.457 10.791 1.523 1.00 2.05 C ATOM 2682 CD1 LEU A 171 9.631 9.523 1.271 1.00 1.94 C ATOM 2683 CD2 LEU A 171 11.125 11.275 0.227 1.00 2.36 C ATOM 0 H LEU A 171 10.619 11.990 4.297 1.00 2.03 H new ATOM 0 HA LEU A 171 10.803 13.622 1.902 1.00 2.11 H new ATOM 0 HB2 LEU A 171 8.942 11.388 2.923 1.00 1.94 H new ATOM 0 HB3 LEU A 171 8.774 12.111 1.336 1.00 1.94 H new ATOM 0 HG LEU A 171 11.267 10.597 2.226 1.00 2.05 H new ATOM 0 HD11 LEU A 171 10.274 8.746 0.856 1.00 1.94 H new ATOM 0 HD12 LEU A 171 9.202 9.175 2.211 1.00 1.94 H new ATOM 0 HD13 LEU A 171 8.830 9.745 0.566 1.00 1.94 H new ATOM 0 HD21 LEU A 171 11.793 10.500 -0.149 1.00 2.36 H new ATOM 0 HD22 LEU A 171 10.360 11.488 -0.519 1.00 2.36 H new ATOM 0 HD23 LEU A 171 11.697 12.181 0.429 1.00 2.36 H new ATOM 2695 N LEU A 172 8.585 14.257 4.202 1.00 2.00 N ATOM 2696 CA LEU A 172 7.339 14.962 4.565 1.00 1.99 C ATOM 2697 C LEU A 172 7.241 16.438 4.139 1.00 2.52 C ATOM 2698 O LEU A 172 6.084 16.863 3.919 1.00 2.27 O ATOM 2699 CB LEU A 172 6.811 14.517 5.942 1.00 1.94 C ATOM 2700 CG LEU A 172 7.338 15.226 7.173 1.00 1.95 C ATOM 2701 CD1 LEU A 172 6.957 16.698 7.203 1.00 2.50 C ATOM 2702 CD2 LEU A 172 6.708 14.554 8.393 1.00 2.41 C ATOM 2703 OXT LEU A 172 8.280 17.101 3.959 1.00 3.68 O ATOM 0 H LEU A 172 9.088 13.875 5.003 1.00 2.00 H new ATOM 0 HA LEU A 172 6.551 14.615 3.896 1.00 1.99 H new ATOM 0 HB2 LEU A 172 5.726 14.625 5.934 1.00 1.94 H new ATOM 0 HB3 LEU A 172 7.024 13.454 6.053 1.00 1.94 H new ATOM 0 HG LEU A 172 8.426 15.161 7.167 1.00 1.95 H new ATOM 0 HD11 LEU A 172 7.359 17.160 8.105 1.00 2.50 H new ATOM 0 HD12 LEU A 172 7.368 17.198 6.326 1.00 2.50 H new ATOM 0 HD13 LEU A 172 5.871 16.793 7.200 1.00 2.50 H new ATOM 0 HD21 LEU A 172 7.065 15.040 9.301 1.00 2.41 H new ATOM 0 HD22 LEU A 172 5.623 14.642 8.337 1.00 2.41 H new ATOM 0 HD23 LEU A 172 6.986 13.500 8.412 1.00 2.41 H new TER 2715 LEU A 172