USER MOD reduce.3.24.130724 H: found=0, std=0, add=1143, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 1139 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 76 SER OG : rot 180:sc= -0.396 USER MOD Set 1.2: A 79 GLN : amide:sc= -2.58 K(o=-3,f=-6.2!) USER MOD Single : A 1 ARG N :NH3+ -160:sc= -0.915 (180deg=-1.07) USER MOD Single : A 2 HIS : no HD1:sc= -0.0624 X(o=-0.062,f=-0.25) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0.0138 USER MOD Single : A 13 HIS : no HE2:sc= 0.026 X(o=0.026,f=-0.46) USER MOD Single : A 17 LYS NZ :NH3+ -123:sc= -0.427 (180deg=-4.46!) USER MOD Single : A 19 ASN : amide:sc= -0.0169 K(o=-0.017,f=-0.62) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 THR OG1 : rot 170:sc= -0.966 USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 ASN :FLIP amide:sc= -0.111 F(o=-5.5!,f=-0.11) USER MOD Single : A 31 LYS NZ :NH3+ -107:sc= -2.97! (180deg=-5.53!) USER MOD Single : A 32 HIS : no HE2:sc= -3.85! C(o=-3.8!,f=-8!) USER MOD Single : A 34 ASN : amide:sc= -0.13 X(o=-0.13,f=-0.13) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 ASN : amide:sc= -5.31! C(o=-5.3!,f=-5.8!) USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 THR OG1 : rot 180:sc=-0.00397 USER MOD Single : A 46 GLN : amide:sc= -1.67 K(o=-1.7,f=-3.9) USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= -2.52! C(o=-2.5!,f=-5!) USER MOD Single : A 69 SER OG : rot -170:sc= -0.38 USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 ASN : amide:sc= -3.53! C(o=-3.5!,f=-5.5!) USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 91 MET CE :methyl 164:sc= -0.105 (180deg=-0.875) USER MOD Single : A 92 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 98 LYS NZ :NH3+ -160:sc= -0.118 (180deg=-0.877) USER MOD Single : A 100 LYS NZ :NH3+ 177:sc= 1.01 (180deg=0.809) USER MOD Single : A 108 ASN : amide:sc= 0 X(o=0,f=0.26) USER MOD Single : A 109 CYS SG : rot -44:sc= -0.64 USER MOD Single : A 112 LYS NZ :NH3+ -153:sc= -0.196 (180deg=-1.13) USER MOD Single : A 113 SER OG : rot -120:sc= -0.286 USER MOD Single : A 114 THR OG1 : rot 180:sc= -0.0534 USER MOD Single : A 119 TYR OH : rot 180:sc= 0 USER MOD Single : A 120 ASN : amide:sc= -0.428 X(o=-0.43,f=0) USER MOD Single : A 123 THR OG1 : rot 84:sc= 1.27 USER MOD Single : A 124 LYS NZ :NH3+ -126:sc= -8.77! (180deg=-11.5!) USER MOD Single : A 125 TYR OH : rot 180:sc= 0 USER MOD Single : A 127 ASN :FLIP amide:sc= -0.0365 F(o=-1.1,f=-0.036) USER MOD Single : B 1 ASP N :NH3+ -173:sc= 0 (180deg=-0.0681) USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 1 16.797 -21.359 -1.355 1.00 1.51 N ATOM 2 CA ARG A 1 15.792 -21.434 -2.453 1.00 1.47 C ATOM 3 C ARG A 1 15.128 -20.059 -2.616 1.00 1.42 C ATOM 4 O ARG A 1 14.471 -19.791 -3.603 1.00 1.41 O ATOM 5 CB ARG A 1 14.735 -22.512 -2.102 1.00 1.52 C ATOM 6 CG ARG A 1 14.968 -23.793 -2.923 1.00 1.58 C ATOM 7 CD ARG A 1 16.285 -24.453 -2.504 1.00 1.56 C ATOM 8 NE ARG A 1 16.092 -25.181 -1.219 1.00 1.55 N ATOM 9 CZ ARG A 1 16.974 -26.060 -0.829 1.00 1.55 C ATOM 10 NH1 ARG A 1 18.026 -26.299 -1.564 1.00 1.57 N ATOM 11 NH2 ARG A 1 16.805 -26.700 0.296 1.00 1.54 N ATOM 0 H1 ARG A 1 17.475 -22.142 -1.451 1.00 1.51 H new ATOM 0 H2 ARG A 1 17.305 -20.453 -1.410 1.00 1.51 H new ATOM 0 H3 ARG A 1 16.314 -21.430 -0.437 1.00 1.51 H new ATOM 0 HA ARG A 1 16.274 -21.708 -3.392 1.00 1.47 H new ATOM 0 HB2 ARG A 1 14.784 -22.743 -1.038 1.00 1.52 H new ATOM 0 HB3 ARG A 1 13.735 -22.125 -2.299 1.00 1.52 H new ATOM 0 HG2 ARG A 1 14.141 -24.486 -2.773 1.00 1.58 H new ATOM 0 HG3 ARG A 1 14.994 -23.554 -3.986 1.00 1.58 H new ATOM 0 HD2 ARG A 1 16.620 -25.143 -3.278 1.00 1.56 H new ATOM 0 HD3 ARG A 1 17.063 -23.698 -2.392 1.00 1.56 H new ATOM 0 HE ARG A 1 15.271 -24.993 -0.644 1.00 1.55 H new ATOM 0 HH11 ARG A 1 18.158 -25.799 -2.443 1.00 1.57 H new ATOM 0 HH12 ARG A 1 18.716 -26.986 -1.259 1.00 1.57 H new ATOM 0 HH21 ARG A 1 15.983 -26.513 0.871 1.00 1.54 H new ATOM 0 HH22 ARG A 1 17.495 -27.387 0.600 1.00 1.54 H new ATOM 27 N HIS A 2 15.300 -19.186 -1.661 1.00 1.39 N ATOM 28 CA HIS A 2 14.684 -17.835 -1.773 1.00 1.35 C ATOM 29 C HIS A 2 15.364 -17.067 -2.908 1.00 1.38 C ATOM 30 O HIS A 2 16.574 -17.056 -3.025 1.00 1.44 O ATOM 31 CB HIS A 2 14.866 -17.074 -0.456 1.00 1.31 C ATOM 32 CG HIS A 2 13.959 -15.873 -0.438 1.00 1.26 C ATOM 33 ND1 HIS A 2 12.593 -15.973 -0.650 1.00 1.27 N ATOM 34 CD2 HIS A 2 14.209 -14.538 -0.233 1.00 1.20 C ATOM 35 CE1 HIS A 2 12.077 -14.733 -0.569 1.00 1.22 C ATOM 36 NE2 HIS A 2 13.019 -13.820 -0.317 1.00 1.17 N ATOM 0 H HIS A 2 15.839 -19.350 -0.811 1.00 1.39 H new ATOM 0 HA HIS A 2 13.619 -17.935 -1.983 1.00 1.35 H new ATOM 0 HB2 HIS A 2 14.639 -17.726 0.387 1.00 1.31 H new ATOM 0 HB3 HIS A 2 15.904 -16.760 -0.346 1.00 1.31 H new ATOM 0 HD2 HIS A 2 15.181 -14.110 -0.036 1.00 1.20 H new ATOM 0 HE1 HIS A 2 11.029 -14.504 -0.693 1.00 1.22 H new ATOM 0 HE2 HIS A 2 12.894 -12.813 -0.209 1.00 1.17 H new ATOM 44 N GLU A 3 14.599 -16.429 -3.748 1.00 1.36 N ATOM 45 CA GLU A 3 15.204 -15.669 -4.877 1.00 1.40 C ATOM 46 C GLU A 3 15.852 -14.389 -4.346 1.00 1.39 C ATOM 47 O GLU A 3 15.295 -13.698 -3.517 1.00 1.34 O ATOM 48 CB GLU A 3 14.114 -15.305 -5.888 1.00 1.39 C ATOM 49 CG GLU A 3 14.760 -14.768 -7.167 1.00 1.41 C ATOM 50 CD GLU A 3 15.407 -15.922 -7.935 1.00 1.40 C ATOM 51 OE1 GLU A 3 14.702 -16.578 -8.685 1.00 1.60 O ATOM 52 OE2 GLU A 3 16.596 -16.130 -7.762 1.00 1.53 O ATOM 0 H GLU A 3 13.580 -16.401 -3.702 1.00 1.36 H new ATOM 0 HA GLU A 3 15.962 -16.284 -5.362 1.00 1.40 H new ATOM 0 HB2 GLU A 3 13.507 -16.181 -6.115 1.00 1.39 H new ATOM 0 HB3 GLU A 3 13.446 -14.556 -5.464 1.00 1.39 H new ATOM 0 HG2 GLU A 3 14.010 -14.279 -7.788 1.00 1.41 H new ATOM 0 HG3 GLU A 3 15.509 -14.016 -6.921 1.00 1.41 H new ATOM 59 N ARG A 4 17.021 -14.062 -4.828 1.00 1.44 N ATOM 60 CA ARG A 4 17.696 -12.822 -4.363 1.00 1.44 C ATOM 61 C ARG A 4 16.959 -11.625 -4.966 1.00 1.43 C ATOM 62 O ARG A 4 16.784 -11.539 -6.166 1.00 1.45 O ATOM 63 CB ARG A 4 19.162 -12.853 -4.826 1.00 1.51 C ATOM 64 CG ARG A 4 19.812 -11.464 -4.667 1.00 1.53 C ATOM 65 CD ARG A 4 19.447 -10.526 -5.849 1.00 1.56 C ATOM 66 NE ARG A 4 20.681 -9.849 -6.369 1.00 1.64 N ATOM 67 CZ ARG A 4 21.547 -9.293 -5.560 1.00 1.68 C ATOM 68 NH1 ARG A 4 21.315 -9.240 -4.277 1.00 1.65 N ATOM 69 NH2 ARG A 4 22.639 -8.768 -6.044 1.00 1.74 N ATOM 0 H ARG A 4 17.536 -14.602 -5.524 1.00 1.44 H new ATOM 0 HA ARG A 4 17.677 -12.745 -3.276 1.00 1.44 H new ATOM 0 HB2 ARG A 4 19.717 -13.589 -4.244 1.00 1.51 H new ATOM 0 HB3 ARG A 4 19.213 -13.167 -5.869 1.00 1.51 H new ATOM 0 HG2 ARG A 4 19.486 -11.014 -3.730 1.00 1.53 H new ATOM 0 HG3 ARG A 4 20.895 -11.573 -4.608 1.00 1.53 H new ATOM 0 HD2 ARG A 4 18.974 -11.100 -6.646 1.00 1.56 H new ATOM 0 HD3 ARG A 4 18.724 -9.779 -5.521 1.00 1.56 H new ATOM 0 HE ARG A 4 20.849 -9.821 -7.375 1.00 1.64 H new ATOM 0 HH11 ARG A 4 20.454 -9.634 -3.898 1.00 1.65 H new ATOM 0 HH12 ARG A 4 21.995 -8.805 -3.653 1.00 1.65 H new ATOM 0 HH21 ARG A 4 22.815 -8.792 -7.048 1.00 1.74 H new ATOM 0 HH22 ARG A 4 23.317 -8.334 -5.418 1.00 1.74 H new ATOM 83 N ASP A 5 16.487 -10.715 -4.149 1.00 1.40 N ATOM 84 CA ASP A 5 15.728 -9.550 -4.686 1.00 1.39 C ATOM 85 C ASP A 5 16.017 -8.288 -3.865 1.00 1.41 C ATOM 86 O ASP A 5 17.150 -7.955 -3.592 1.00 1.46 O ATOM 87 CB ASP A 5 14.233 -9.885 -4.634 1.00 1.32 C ATOM 88 CG ASP A 5 13.488 -9.119 -5.730 1.00 1.32 C ATOM 89 OD1 ASP A 5 13.346 -7.915 -5.592 1.00 1.32 O ATOM 90 OD2 ASP A 5 13.072 -9.750 -6.688 1.00 1.33 O ATOM 0 H ASP A 5 16.596 -10.731 -3.135 1.00 1.40 H new ATOM 0 HA ASP A 5 16.035 -9.354 -5.714 1.00 1.39 H new ATOM 0 HB2 ASP A 5 14.087 -10.957 -4.765 1.00 1.32 H new ATOM 0 HB3 ASP A 5 13.827 -9.625 -3.656 1.00 1.32 H new ATOM 95 N ALA A 6 14.989 -7.566 -3.512 1.00 1.37 N ATOM 96 CA ALA A 6 15.173 -6.298 -2.740 1.00 1.39 C ATOM 97 C ALA A 6 15.311 -6.567 -1.234 1.00 1.40 C ATOM 98 O ALA A 6 16.248 -6.116 -0.605 1.00 1.45 O ATOM 99 CB ALA A 6 13.964 -5.391 -2.973 1.00 1.34 C ATOM 0 H ALA A 6 14.020 -7.800 -3.726 1.00 1.37 H new ATOM 0 HA ALA A 6 16.089 -5.820 -3.087 1.00 1.39 H new ATOM 0 HB1 ALA A 6 14.091 -4.464 -2.413 1.00 1.34 H new ATOM 0 HB2 ALA A 6 13.879 -5.164 -4.036 1.00 1.34 H new ATOM 0 HB3 ALA A 6 13.059 -5.897 -2.636 1.00 1.34 H new ATOM 105 N PHE A 7 14.367 -7.252 -0.637 1.00 1.35 N ATOM 106 CA PHE A 7 14.444 -7.489 0.844 1.00 1.36 C ATOM 107 C PHE A 7 15.864 -7.871 1.288 1.00 1.43 C ATOM 108 O PHE A 7 16.317 -7.480 2.345 1.00 1.46 O ATOM 109 CB PHE A 7 13.462 -8.609 1.272 1.00 1.31 C ATOM 110 CG PHE A 7 12.415 -8.861 0.212 1.00 1.26 C ATOM 111 CD1 PHE A 7 11.251 -8.082 0.172 1.00 1.21 C ATOM 112 CD2 PHE A 7 12.587 -9.911 -0.700 1.00 1.27 C ATOM 113 CE1 PHE A 7 10.267 -8.355 -0.776 1.00 1.16 C ATOM 114 CE2 PHE A 7 11.602 -10.175 -1.657 1.00 1.23 C ATOM 115 CZ PHE A 7 10.440 -9.398 -1.693 1.00 1.18 C ATOM 0 H PHE A 7 13.553 -7.655 -1.102 1.00 1.35 H new ATOM 0 HA PHE A 7 14.168 -6.552 1.329 1.00 1.36 H new ATOM 0 HB2 PHE A 7 14.017 -9.528 1.463 1.00 1.31 H new ATOM 0 HB3 PHE A 7 12.975 -8.330 2.207 1.00 1.31 H new ATOM 0 HD1 PHE A 7 11.117 -7.272 0.874 1.00 1.21 H new ATOM 0 HD2 PHE A 7 13.481 -10.517 -0.664 1.00 1.27 H new ATOM 0 HE1 PHE A 7 9.367 -7.759 -0.803 1.00 1.16 H new ATOM 0 HE2 PHE A 7 11.739 -10.977 -2.367 1.00 1.23 H new ATOM 0 HZ PHE A 7 9.676 -9.603 -2.428 1.00 1.18 H new ATOM 125 N ASP A 8 16.546 -8.655 0.525 1.00 1.47 N ATOM 126 CA ASP A 8 17.914 -9.090 0.949 1.00 1.54 C ATOM 127 C ASP A 8 18.738 -7.909 1.432 1.00 1.58 C ATOM 128 O ASP A 8 18.930 -7.685 2.608 1.00 1.60 O ATOM 129 CB ASP A 8 18.636 -9.669 -0.270 1.00 1.58 C ATOM 130 CG ASP A 8 18.426 -8.768 -1.487 1.00 1.64 C ATOM 131 OD1 ASP A 8 17.773 -7.750 -1.340 1.00 1.69 O ATOM 132 OD2 ASP A 8 18.929 -9.106 -2.544 1.00 1.64 O ATOM 0 H ASP A 8 16.229 -9.020 -0.373 1.00 1.47 H new ATOM 0 HA ASP A 8 17.808 -9.818 1.753 1.00 1.54 H new ATOM 0 HB2 ASP A 8 19.701 -9.765 -0.059 1.00 1.58 H new ATOM 0 HB3 ASP A 8 18.262 -10.671 -0.481 1.00 1.58 H new ATOM 137 N THR A 9 19.224 -7.175 0.501 1.00 1.61 N ATOM 138 CA THR A 9 20.078 -5.991 0.815 1.00 1.66 C ATOM 139 C THR A 9 19.410 -5.105 1.858 1.00 1.62 C ATOM 140 O THR A 9 20.063 -4.499 2.683 1.00 1.65 O ATOM 141 CB THR A 9 20.316 -5.183 -0.464 1.00 1.71 C ATOM 142 OG1 THR A 9 20.627 -6.070 -1.530 1.00 1.71 O ATOM 143 CG2 THR A 9 21.478 -4.212 -0.252 1.00 1.78 C ATOM 0 H THR A 9 19.071 -7.336 -0.494 1.00 1.61 H new ATOM 0 HA THR A 9 21.029 -6.343 1.216 1.00 1.66 H new ATOM 0 HB THR A 9 19.416 -4.618 -0.708 1.00 1.71 H new ATOM 0 HG1 THR A 9 20.778 -5.555 -2.350 1.00 1.71 H new ATOM 0 HG21 THR A 9 21.644 -3.639 -1.164 1.00 1.78 H new ATOM 0 HG22 THR A 9 21.239 -3.532 0.565 1.00 1.78 H new ATOM 0 HG23 THR A 9 22.380 -4.772 -0.006 1.00 1.78 H new ATOM 151 N LEU A 10 18.124 -5.016 1.824 1.00 1.55 N ATOM 152 CA LEU A 10 17.419 -4.152 2.810 1.00 1.52 C ATOM 153 C LEU A 10 17.441 -4.822 4.192 1.00 1.51 C ATOM 154 O LEU A 10 17.987 -4.293 5.140 1.00 1.54 O ATOM 155 CB LEU A 10 15.965 -3.954 2.343 1.00 1.44 C ATOM 156 CG LEU A 10 15.859 -2.752 1.385 1.00 1.43 C ATOM 157 CD1 LEU A 10 16.088 -1.425 2.141 1.00 1.48 C ATOM 158 CD2 LEU A 10 16.894 -2.898 0.259 1.00 1.36 C ATOM 0 H LEU A 10 17.522 -5.501 1.159 1.00 1.55 H new ATOM 0 HA LEU A 10 17.916 -3.185 2.882 1.00 1.52 H new ATOM 0 HB2 LEU A 10 15.613 -4.856 1.843 1.00 1.44 H new ATOM 0 HB3 LEU A 10 15.319 -3.795 3.206 1.00 1.44 H new ATOM 0 HG LEU A 10 14.856 -2.734 0.959 1.00 1.43 H new ATOM 0 HD11 LEU A 10 16.008 -0.591 1.444 1.00 1.48 H new ATOM 0 HD12 LEU A 10 15.336 -1.317 2.923 1.00 1.48 H new ATOM 0 HD13 LEU A 10 17.081 -1.429 2.590 1.00 1.48 H new ATOM 0 HD21 LEU A 10 16.818 -2.047 -0.418 1.00 1.36 H new ATOM 0 HD22 LEU A 10 17.896 -2.932 0.688 1.00 1.36 H new ATOM 0 HD23 LEU A 10 16.704 -3.819 -0.293 1.00 1.36 H new ATOM 170 N PHE A 11 16.855 -5.980 4.308 1.00 1.48 N ATOM 171 CA PHE A 11 16.830 -6.686 5.620 1.00 1.48 C ATOM 172 C PHE A 11 18.241 -7.133 5.995 1.00 1.55 C ATOM 173 O PHE A 11 18.513 -7.476 7.128 1.00 1.57 O ATOM 174 CB PHE A 11 15.916 -7.910 5.490 1.00 1.42 C ATOM 175 CG PHE A 11 14.485 -7.484 5.621 1.00 1.36 C ATOM 176 CD1 PHE A 11 13.833 -7.083 4.487 1.00 1.31 C ATOM 177 CD2 PHE A 11 13.829 -7.482 6.857 1.00 1.34 C ATOM 178 CE1 PHE A 11 12.507 -6.667 4.538 1.00 1.25 C ATOM 179 CE2 PHE A 11 12.492 -7.069 6.929 1.00 1.27 C ATOM 180 CZ PHE A 11 11.828 -6.659 5.763 1.00 1.23 C ATOM 0 H PHE A 11 16.389 -6.472 3.545 1.00 1.48 H new ATOM 0 HA PHE A 11 16.458 -6.019 6.398 1.00 1.48 H new ATOM 0 HB2 PHE A 11 16.075 -8.395 4.527 1.00 1.42 H new ATOM 0 HB3 PHE A 11 16.160 -8.642 6.260 1.00 1.42 H new ATOM 0 HD1 PHE A 11 14.354 -7.090 3.541 1.00 1.31 H new ATOM 0 HD2 PHE A 11 14.350 -7.797 7.749 1.00 1.34 H new ATOM 0 HE1 PHE A 11 12.003 -6.351 3.637 1.00 1.25 H new ATOM 0 HE2 PHE A 11 11.975 -7.066 7.877 1.00 1.27 H new ATOM 0 HZ PHE A 11 10.798 -6.339 5.810 1.00 1.23 H new ATOM 190 N ASP A 12 19.138 -7.137 5.055 1.00 1.58 N ATOM 191 CA ASP A 12 20.531 -7.573 5.364 1.00 1.65 C ATOM 192 C ASP A 12 21.298 -6.446 6.025 1.00 1.70 C ATOM 193 O ASP A 12 21.905 -6.612 7.065 1.00 1.75 O ATOM 194 CB ASP A 12 21.258 -7.952 4.078 1.00 1.68 C ATOM 195 CG ASP A 12 22.664 -8.450 4.415 1.00 1.63 C ATOM 196 OD1 ASP A 12 22.793 -9.615 4.755 1.00 1.65 O ATOM 197 OD2 ASP A 12 23.589 -7.659 4.328 1.00 1.58 O ATOM 0 H ASP A 12 18.972 -6.859 4.088 1.00 1.58 H new ATOM 0 HA ASP A 12 20.477 -8.432 6.033 1.00 1.65 H new ATOM 0 HB2 ASP A 12 20.703 -8.727 3.549 1.00 1.68 H new ATOM 0 HB3 ASP A 12 21.315 -7.091 3.413 1.00 1.68 H new ATOM 202 N HIS A 13 21.302 -5.312 5.396 1.00 1.70 N ATOM 203 CA HIS A 13 22.069 -4.137 5.937 1.00 1.76 C ATOM 204 C HIS A 13 21.173 -2.895 6.067 1.00 1.73 C ATOM 205 O HIS A 13 21.617 -1.787 5.838 1.00 1.77 O ATOM 206 CB HIS A 13 23.238 -3.838 4.973 1.00 1.80 C ATOM 207 CG HIS A 13 24.423 -3.292 5.731 1.00 1.86 C ATOM 208 ND1 HIS A 13 24.525 -1.956 6.085 1.00 1.87 N ATOM 209 CD2 HIS A 13 25.563 -3.894 6.203 1.00 1.91 C ATOM 210 CE1 HIS A 13 25.690 -1.799 6.741 1.00 1.93 C ATOM 211 NE2 HIS A 13 26.362 -2.949 6.841 1.00 1.95 N ATOM 0 H HIS A 13 20.806 -5.135 4.522 1.00 1.70 H new ATOM 0 HA HIS A 13 22.441 -4.381 6.932 1.00 1.76 H new ATOM 0 HB2 HIS A 13 23.524 -4.748 4.446 1.00 1.80 H new ATOM 0 HB3 HIS A 13 22.919 -3.119 4.218 1.00 1.80 H new ATOM 0 HD1 HIS A 13 23.842 -1.225 5.885 1.00 1.87 H new ATOM 0 HD2 HIS A 13 25.803 -4.941 6.096 1.00 1.91 H new ATOM 0 HE1 HIS A 13 26.039 -0.857 7.138 1.00 1.93 H new ATOM 219 N ALA A 14 19.934 -3.048 6.452 1.00 1.66 N ATOM 220 CA ALA A 14 19.070 -1.838 6.605 1.00 1.63 C ATOM 221 C ALA A 14 17.742 -2.175 7.295 1.00 1.56 C ATOM 222 O ALA A 14 16.694 -2.032 6.696 1.00 1.51 O ATOM 223 CB ALA A 14 18.787 -1.240 5.222 1.00 1.62 C ATOM 0 H ALA A 14 19.488 -3.940 6.664 1.00 1.66 H new ATOM 0 HA ALA A 14 19.601 -1.119 7.229 1.00 1.63 H new ATOM 0 HB1 ALA A 14 18.157 -0.357 5.329 1.00 1.62 H new ATOM 0 HB2 ALA A 14 19.727 -0.959 4.748 1.00 1.62 H new ATOM 0 HB3 ALA A 14 18.275 -1.978 4.604 1.00 1.62 H new ATOM 229 N PRO A 15 17.806 -2.576 8.546 1.00 1.57 N ATOM 230 CA PRO A 15 16.592 -2.881 9.313 1.00 1.51 C ATOM 231 C PRO A 15 15.896 -1.558 9.669 1.00 1.50 C ATOM 232 O PRO A 15 14.737 -1.526 10.029 1.00 1.44 O ATOM 233 CB PRO A 15 17.102 -3.595 10.588 1.00 1.54 C ATOM 234 CG PRO A 15 18.656 -3.550 10.559 1.00 1.62 C ATOM 235 CD PRO A 15 19.067 -2.771 9.293 1.00 1.64 C ATOM 0 HA PRO A 15 15.876 -3.499 8.771 1.00 1.51 H new ATOM 0 HB2 PRO A 15 16.721 -3.102 11.482 1.00 1.54 H new ATOM 0 HB3 PRO A 15 16.749 -4.626 10.617 1.00 1.54 H new ATOM 0 HG2 PRO A 15 19.043 -3.062 11.453 1.00 1.62 H new ATOM 0 HG3 PRO A 15 19.070 -4.558 10.541 1.00 1.62 H new ATOM 0 HD2 PRO A 15 19.528 -1.817 9.548 1.00 1.64 H new ATOM 0 HD3 PRO A 15 19.794 -3.329 8.703 1.00 1.64 H new ATOM 243 N ASP A 16 16.619 -0.467 9.589 1.00 1.55 N ATOM 244 CA ASP A 16 16.026 0.861 9.942 1.00 1.55 C ATOM 245 C ASP A 16 15.338 1.491 8.728 1.00 1.52 C ATOM 246 O ASP A 16 14.267 2.056 8.834 1.00 1.48 O ATOM 247 CB ASP A 16 17.138 1.793 10.429 1.00 1.63 C ATOM 248 CG ASP A 16 16.518 3.030 11.079 1.00 1.65 C ATOM 249 OD1 ASP A 16 15.414 3.385 10.699 1.00 1.68 O ATOM 250 OD2 ASP A 16 17.157 3.604 11.946 1.00 1.64 O ATOM 0 H ASP A 16 17.595 -0.439 9.294 1.00 1.55 H new ATOM 0 HA ASP A 16 15.283 0.714 10.726 1.00 1.55 H new ATOM 0 HB2 ASP A 16 17.775 1.274 11.145 1.00 1.63 H new ATOM 0 HB3 ASP A 16 17.772 2.088 9.593 1.00 1.63 H new ATOM 255 N LYS A 17 15.949 1.415 7.580 1.00 1.55 N ATOM 256 CA LYS A 17 15.334 2.026 6.369 1.00 1.54 C ATOM 257 C LYS A 17 13.982 1.374 6.110 1.00 1.46 C ATOM 258 O LYS A 17 13.002 2.038 5.856 1.00 1.42 O ATOM 259 CB LYS A 17 16.249 1.812 5.162 1.00 1.59 C ATOM 260 CG LYS A 17 17.600 2.482 5.421 1.00 1.67 C ATOM 261 CD LYS A 17 18.431 2.469 4.136 1.00 1.72 C ATOM 262 CE LYS A 17 19.878 2.853 4.454 1.00 1.80 C ATOM 263 NZ LYS A 17 20.582 3.221 3.193 1.00 1.80 N ATOM 0 H LYS A 17 16.847 0.957 7.427 1.00 1.55 H new ATOM 0 HA LYS A 17 15.199 3.096 6.529 1.00 1.54 H new ATOM 0 HB2 LYS A 17 16.388 0.746 4.982 1.00 1.59 H new ATOM 0 HB3 LYS A 17 15.790 2.229 4.266 1.00 1.59 H new ATOM 0 HG2 LYS A 17 17.450 3.507 5.760 1.00 1.67 H new ATOM 0 HG3 LYS A 17 18.131 1.958 6.216 1.00 1.67 H new ATOM 0 HD2 LYS A 17 18.399 1.479 3.681 1.00 1.72 H new ATOM 0 HD3 LYS A 17 18.010 3.167 3.412 1.00 1.72 H new ATOM 0 HE2 LYS A 17 19.899 3.690 5.152 1.00 1.80 H new ATOM 0 HE3 LYS A 17 20.388 2.021 4.939 1.00 1.80 H new ATOM 0 HZ1 LYS A 17 21.422 2.619 3.076 1.00 1.80 H new ATOM 0 HZ2 LYS A 17 19.942 3.083 2.385 1.00 1.80 H new ATOM 0 HZ3 LYS A 17 20.874 4.218 3.237 1.00 1.80 H new ATOM 277 N LEU A 18 13.916 0.077 6.184 1.00 1.43 N ATOM 278 CA LEU A 18 12.619 -0.616 5.952 1.00 1.36 C ATOM 279 C LEU A 18 11.522 0.082 6.763 1.00 1.31 C ATOM 280 O LEU A 18 10.399 0.236 6.316 1.00 1.26 O ATOM 281 CB LEU A 18 12.752 -2.076 6.402 1.00 1.35 C ATOM 282 CG LEU A 18 13.525 -2.886 5.337 1.00 1.35 C ATOM 283 CD1 LEU A 18 14.175 -4.109 5.986 1.00 1.28 C ATOM 284 CD2 LEU A 18 12.572 -3.356 4.228 1.00 1.41 C ATOM 0 H LEU A 18 14.704 -0.535 6.395 1.00 1.43 H new ATOM 0 HA LEU A 18 12.357 -0.582 4.894 1.00 1.36 H new ATOM 0 HB2 LEU A 18 13.273 -2.125 7.358 1.00 1.35 H new ATOM 0 HB3 LEU A 18 11.764 -2.510 6.555 1.00 1.35 H new ATOM 0 HG LEU A 18 14.293 -2.244 4.905 1.00 1.35 H new ATOM 0 HD11 LEU A 18 14.719 -4.676 5.230 1.00 1.28 H new ATOM 0 HD12 LEU A 18 14.867 -3.784 6.763 1.00 1.28 H new ATOM 0 HD13 LEU A 18 13.403 -4.740 6.428 1.00 1.28 H new ATOM 0 HD21 LEU A 18 13.131 -3.925 3.485 1.00 1.41 H new ATOM 0 HD22 LEU A 18 11.795 -3.987 4.659 1.00 1.41 H new ATOM 0 HD23 LEU A 18 12.113 -2.490 3.751 1.00 1.41 H new ATOM 296 N ASN A 19 11.844 0.519 7.950 1.00 1.33 N ATOM 297 CA ASN A 19 10.823 1.212 8.789 1.00 1.29 C ATOM 298 C ASN A 19 10.461 2.556 8.153 1.00 1.30 C ATOM 299 O ASN A 19 9.316 2.820 7.842 1.00 1.25 O ATOM 300 CB ASN A 19 11.388 1.451 10.192 1.00 1.32 C ATOM 301 CG ASN A 19 10.250 1.835 11.140 1.00 1.27 C ATOM 302 OD1 ASN A 19 9.740 2.936 11.082 1.00 1.29 O ATOM 303 ND2 ASN A 19 9.828 0.966 12.018 1.00 1.22 N ATOM 0 H ASN A 19 12.767 0.427 8.375 1.00 1.33 H new ATOM 0 HA ASN A 19 9.931 0.589 8.856 1.00 1.29 H new ATOM 0 HB2 ASN A 19 11.889 0.552 10.552 1.00 1.32 H new ATOM 0 HB3 ASN A 19 12.136 2.243 10.165 1.00 1.32 H new ATOM 0 HD21 ASN A 19 9.070 1.212 12.655 1.00 1.22 H new ATOM 0 HD22 ASN A 19 10.256 0.041 12.067 1.00 1.22 H new ATOM 310 N VAL A 20 11.429 3.408 7.962 1.00 1.36 N ATOM 311 CA VAL A 20 11.146 4.737 7.352 1.00 1.38 C ATOM 312 C VAL A 20 10.523 4.560 5.962 1.00 1.34 C ATOM 313 O VAL A 20 9.697 5.347 5.541 1.00 1.32 O ATOM 314 CB VAL A 20 12.449 5.526 7.225 1.00 1.46 C ATOM 315 CG1 VAL A 20 12.130 6.995 6.940 1.00 1.48 C ATOM 316 CG2 VAL A 20 13.238 5.420 8.532 1.00 1.50 C ATOM 0 H VAL A 20 12.406 3.241 8.203 1.00 1.36 H new ATOM 0 HA VAL A 20 10.446 5.277 7.990 1.00 1.38 H new ATOM 0 HB VAL A 20 13.043 5.118 6.407 1.00 1.46 H new ATOM 0 HG11 VAL A 20 13.059 7.558 6.849 1.00 1.48 H new ATOM 0 HG12 VAL A 20 11.567 7.071 6.010 1.00 1.48 H new ATOM 0 HG13 VAL A 20 11.536 7.404 7.758 1.00 1.48 H new ATOM 0 HG21 VAL A 20 14.167 5.982 8.443 1.00 1.50 H new ATOM 0 HG22 VAL A 20 12.644 5.828 9.350 1.00 1.50 H new ATOM 0 HG23 VAL A 20 13.465 4.374 8.736 1.00 1.50 H new ATOM 326 N VAL A 21 10.907 3.544 5.236 1.00 1.33 N ATOM 327 CA VAL A 21 10.316 3.363 3.882 1.00 1.30 C ATOM 328 C VAL A 21 8.810 3.115 4.023 1.00 1.22 C ATOM 329 O VAL A 21 8.025 3.605 3.233 1.00 1.19 O ATOM 330 CB VAL A 21 10.997 2.191 3.153 1.00 1.30 C ATOM 331 CG1 VAL A 21 10.372 2.016 1.758 1.00 1.26 C ATOM 332 CG2 VAL A 21 12.509 2.480 2.996 1.00 1.38 C ATOM 0 H VAL A 21 11.593 2.843 5.517 1.00 1.33 H new ATOM 0 HA VAL A 21 10.477 4.263 3.289 1.00 1.30 H new ATOM 0 HB VAL A 21 10.857 1.281 3.736 1.00 1.30 H new ATOM 0 HG11 VAL A 21 10.856 1.186 1.244 1.00 1.26 H new ATOM 0 HG12 VAL A 21 9.307 1.808 1.860 1.00 1.26 H new ATOM 0 HG13 VAL A 21 10.510 2.930 1.180 1.00 1.26 H new ATOM 0 HG21 VAL A 21 12.987 1.648 2.479 1.00 1.38 H new ATOM 0 HG22 VAL A 21 12.647 3.393 2.417 1.00 1.38 H new ATOM 0 HG23 VAL A 21 12.960 2.603 3.981 1.00 1.38 H new ATOM 342 N LYS A 22 8.379 2.391 5.029 1.00 1.19 N ATOM 343 CA LYS A 22 6.919 2.181 5.180 1.00 1.12 C ATOM 344 C LYS A 22 6.305 3.546 5.454 1.00 1.12 C ATOM 345 O LYS A 22 5.252 3.851 4.972 1.00 1.09 O ATOM 346 CB LYS A 22 6.655 1.181 6.332 1.00 1.09 C ATOM 347 CG LYS A 22 5.273 1.398 7.016 1.00 1.03 C ATOM 348 CD LYS A 22 5.311 0.812 8.434 1.00 1.03 C ATOM 349 CE LYS A 22 6.099 1.746 9.375 1.00 1.09 C ATOM 350 NZ LYS A 22 7.010 0.930 10.228 1.00 1.14 N ATOM 0 H LYS A 22 8.967 1.948 5.735 1.00 1.19 H new ATOM 0 HA LYS A 22 6.471 1.753 4.283 1.00 1.12 H new ATOM 0 HB2 LYS A 22 6.707 0.164 5.943 1.00 1.09 H new ATOM 0 HB3 LYS A 22 7.444 1.277 7.078 1.00 1.09 H new ATOM 0 HG2 LYS A 22 5.037 2.461 7.056 1.00 1.03 H new ATOM 0 HG3 LYS A 22 4.487 0.919 6.433 1.00 1.03 H new ATOM 0 HD2 LYS A 22 4.296 0.679 8.808 1.00 1.03 H new ATOM 0 HD3 LYS A 22 5.775 -0.174 8.416 1.00 1.03 H new ATOM 0 HE2 LYS A 22 6.674 2.466 8.793 1.00 1.09 H new ATOM 0 HE3 LYS A 22 5.412 2.317 9.999 1.00 1.09 H new ATOM 0 HZ1 LYS A 22 7.543 1.556 10.864 1.00 1.14 H new ATOM 0 HZ2 LYS A 22 6.450 0.259 10.792 1.00 1.14 H new ATOM 0 HZ3 LYS A 22 7.673 0.404 9.624 1.00 1.14 H new ATOM 364 N LYS A 23 6.960 4.359 6.236 1.00 1.17 N ATOM 365 CA LYS A 23 6.411 5.716 6.548 1.00 1.18 C ATOM 366 C LYS A 23 6.248 6.528 5.254 1.00 1.20 C ATOM 367 O LYS A 23 5.408 7.405 5.154 1.00 1.20 O ATOM 368 CB LYS A 23 7.374 6.465 7.481 1.00 1.25 C ATOM 369 CG LYS A 23 7.577 5.673 8.788 1.00 1.23 C ATOM 370 CD LYS A 23 6.512 6.064 9.832 1.00 1.29 C ATOM 371 CE LYS A 23 6.961 7.307 10.609 1.00 1.36 C ATOM 372 NZ LYS A 23 5.801 7.871 11.357 1.00 1.39 N ATOM 0 H LYS A 23 7.855 4.144 6.676 1.00 1.17 H new ATOM 0 HA LYS A 23 5.442 5.596 7.032 1.00 1.18 H new ATOM 0 HB2 LYS A 23 8.333 6.611 6.984 1.00 1.25 H new ATOM 0 HB3 LYS A 23 6.977 7.455 7.706 1.00 1.25 H new ATOM 0 HG2 LYS A 23 7.519 4.604 8.584 1.00 1.23 H new ATOM 0 HG3 LYS A 23 8.573 5.868 9.186 1.00 1.23 H new ATOM 0 HD2 LYS A 23 5.561 6.260 9.336 1.00 1.29 H new ATOM 0 HD3 LYS A 23 6.347 5.236 10.521 1.00 1.29 H new ATOM 0 HE2 LYS A 23 7.762 7.047 11.301 1.00 1.36 H new ATOM 0 HE3 LYS A 23 7.362 8.053 9.923 1.00 1.36 H new ATOM 0 HZ1 LYS A 23 6.105 8.714 11.884 1.00 1.39 H new ATOM 0 HZ2 LYS A 23 5.050 8.134 10.687 1.00 1.39 H new ATOM 0 HZ3 LYS A 23 5.438 7.159 12.022 1.00 1.39 H new ATOM 386 N THR A 24 7.038 6.243 4.254 1.00 1.22 N ATOM 387 CA THR A 24 6.915 7.005 2.977 1.00 1.24 C ATOM 388 C THR A 24 5.719 6.465 2.227 1.00 1.18 C ATOM 389 O THR A 24 5.042 7.167 1.500 1.00 1.18 O ATOM 390 CB THR A 24 8.182 6.830 2.136 1.00 1.30 C ATOM 391 OG1 THR A 24 9.321 7.127 2.932 1.00 1.36 O ATOM 392 CG2 THR A 24 8.133 7.776 0.935 1.00 1.31 C ATOM 0 H THR A 24 7.758 5.521 4.265 1.00 1.22 H new ATOM 0 HA THR A 24 6.786 8.068 3.182 1.00 1.24 H new ATOM 0 HB THR A 24 8.246 5.801 1.782 1.00 1.30 H new ATOM 0 HG1 THR A 24 10.133 6.863 2.452 1.00 1.36 H new ATOM 0 HG21 THR A 24 9.035 7.651 0.336 1.00 1.31 H new ATOM 0 HG22 THR A 24 7.259 7.546 0.326 1.00 1.31 H new ATOM 0 HG23 THR A 24 8.070 8.806 1.286 1.00 1.31 H new ATOM 400 N LEU A 25 5.427 5.225 2.435 1.00 1.13 N ATOM 401 CA LEU A 25 4.251 4.632 1.783 1.00 1.07 C ATOM 402 C LEU A 25 3.022 5.199 2.489 1.00 1.03 C ATOM 403 O LEU A 25 1.972 5.385 1.898 1.00 0.99 O ATOM 404 CB LEU A 25 4.312 3.118 1.952 1.00 1.03 C ATOM 405 CG LEU A 25 5.531 2.540 1.211 1.00 1.08 C ATOM 406 CD1 LEU A 25 5.549 1.003 1.368 1.00 1.06 C ATOM 407 CD2 LEU A 25 5.489 2.933 -0.286 1.00 1.09 C ATOM 0 H LEU A 25 5.958 4.593 3.034 1.00 1.13 H new ATOM 0 HA LEU A 25 4.214 4.860 0.718 1.00 1.07 H new ATOM 0 HB2 LEU A 25 4.370 2.867 3.011 1.00 1.03 H new ATOM 0 HB3 LEU A 25 3.398 2.666 1.567 1.00 1.03 H new ATOM 0 HG LEU A 25 6.442 2.952 1.644 1.00 1.08 H new ATOM 0 HD11 LEU A 25 6.412 0.594 0.843 1.00 1.06 H new ATOM 0 HD12 LEU A 25 5.612 0.746 2.425 1.00 1.06 H new ATOM 0 HD13 LEU A 25 4.636 0.583 0.946 1.00 1.06 H new ATOM 0 HD21 LEU A 25 6.358 2.517 -0.796 1.00 1.09 H new ATOM 0 HD22 LEU A 25 4.579 2.540 -0.740 1.00 1.09 H new ATOM 0 HD23 LEU A 25 5.501 4.019 -0.378 1.00 1.09 H new ATOM 419 N ILE A 26 3.165 5.516 3.751 1.00 1.04 N ATOM 420 CA ILE A 26 2.034 6.112 4.493 1.00 1.01 C ATOM 421 C ILE A 26 1.739 7.445 3.831 1.00 1.05 C ATOM 422 O ILE A 26 0.610 7.821 3.673 1.00 1.02 O ATOM 423 CB ILE A 26 2.412 6.326 5.971 1.00 1.03 C ATOM 424 CG1 ILE A 26 2.664 4.960 6.626 1.00 0.99 C ATOM 425 CG2 ILE A 26 1.274 7.050 6.711 1.00 1.02 C ATOM 426 CD1 ILE A 26 2.848 5.125 8.134 1.00 1.01 C ATOM 0 H ILE A 26 4.020 5.384 4.292 1.00 1.04 H new ATOM 0 HA ILE A 26 1.163 5.457 4.470 1.00 1.01 H new ATOM 0 HB ILE A 26 3.312 6.938 6.028 1.00 1.03 H new ATOM 0 HG12 ILE A 26 1.826 4.292 6.425 1.00 0.99 H new ATOM 0 HG13 ILE A 26 3.551 4.498 6.192 1.00 0.99 H new ATOM 0 HG21 ILE A 26 1.553 7.195 7.755 1.00 1.02 H new ATOM 0 HG22 ILE A 26 1.095 8.019 6.245 1.00 1.02 H new ATOM 0 HG23 ILE A 26 0.366 6.449 6.659 1.00 1.02 H new ATOM 0 HD11 ILE A 26 3.026 4.150 8.588 1.00 1.01 H new ATOM 0 HD12 ILE A 26 3.700 5.776 8.327 1.00 1.01 H new ATOM 0 HD13 ILE A 26 1.949 5.567 8.564 1.00 1.01 H new ATOM 438 N THR A 27 2.762 8.158 3.438 1.00 1.11 N ATOM 439 CA THR A 27 2.546 9.476 2.772 1.00 1.15 C ATOM 440 C THR A 27 1.767 9.272 1.455 1.00 1.12 C ATOM 441 O THR A 27 0.864 10.021 1.135 1.00 1.12 O ATOM 442 CB THR A 27 3.915 10.126 2.501 1.00 1.23 C ATOM 443 OG1 THR A 27 4.427 10.652 3.718 1.00 1.27 O ATOM 444 CG2 THR A 27 3.778 11.261 1.482 1.00 1.27 C ATOM 0 H THR A 27 3.738 7.884 3.550 1.00 1.11 H new ATOM 0 HA THR A 27 1.961 10.132 3.417 1.00 1.15 H new ATOM 0 HB THR A 27 4.592 9.372 2.099 1.00 1.23 H new ATOM 0 HG1 THR A 27 5.300 11.066 3.554 1.00 1.27 H new ATOM 0 HG21 THR A 27 4.755 11.709 1.303 1.00 1.27 H new ATOM 0 HG22 THR A 27 3.383 10.864 0.547 1.00 1.27 H new ATOM 0 HG23 THR A 27 3.098 12.019 1.871 1.00 1.27 H new ATOM 452 N PHE A 28 2.108 8.262 0.695 1.00 1.10 N ATOM 453 CA PHE A 28 1.394 8.000 -0.594 1.00 1.07 C ATOM 454 C PHE A 28 -0.121 7.939 -0.342 1.00 1.01 C ATOM 455 O PHE A 28 -0.909 8.668 -0.940 1.00 1.02 O ATOM 456 CB PHE A 28 1.893 6.655 -1.145 1.00 1.05 C ATOM 457 CG PHE A 28 1.276 6.346 -2.508 1.00 1.03 C ATOM 458 CD1 PHE A 28 1.402 7.243 -3.591 1.00 1.08 C ATOM 459 CD2 PHE A 28 0.552 5.155 -2.685 1.00 0.97 C ATOM 460 CE1 PHE A 28 0.806 6.946 -4.816 1.00 1.06 C ATOM 461 CE2 PHE A 28 -0.036 4.862 -3.919 1.00 0.96 C ATOM 462 CZ PHE A 28 0.086 5.758 -4.982 1.00 1.00 C ATOM 0 H PHE A 28 2.855 7.603 0.913 1.00 1.10 H new ATOM 0 HA PHE A 28 1.592 8.796 -1.312 1.00 1.07 H new ATOM 0 HB2 PHE A 28 2.979 6.677 -1.232 1.00 1.05 H new ATOM 0 HB3 PHE A 28 1.646 5.859 -0.443 1.00 1.05 H new ATOM 0 HD1 PHE A 28 1.960 8.160 -3.471 1.00 1.08 H new ATOM 0 HD2 PHE A 28 0.449 4.462 -1.863 1.00 0.97 H new ATOM 0 HE1 PHE A 28 0.901 7.637 -5.641 1.00 1.06 H new ATOM 0 HE2 PHE A 28 -0.585 3.941 -4.050 1.00 0.96 H new ATOM 0 HZ PHE A 28 -0.375 5.534 -5.933 1.00 1.00 H new ATOM 472 N VAL A 29 -0.541 7.080 0.543 1.00 0.97 N ATOM 473 CA VAL A 29 -1.997 6.978 0.831 1.00 0.92 C ATOM 474 C VAL A 29 -2.480 8.290 1.464 1.00 0.95 C ATOM 475 O VAL A 29 -3.557 8.764 1.173 1.00 0.94 O ATOM 476 CB VAL A 29 -2.251 5.802 1.787 1.00 0.86 C ATOM 477 CG1 VAL A 29 -3.711 5.345 1.675 1.00 0.81 C ATOM 478 CG2 VAL A 29 -1.324 4.638 1.417 1.00 0.85 C ATOM 0 H VAL A 29 0.056 6.448 1.076 1.00 0.97 H new ATOM 0 HA VAL A 29 -2.546 6.804 -0.095 1.00 0.92 H new ATOM 0 HB VAL A 29 -2.052 6.121 2.810 1.00 0.86 H new ATOM 0 HG11 VAL A 29 -3.884 4.511 2.355 1.00 0.81 H new ATOM 0 HG12 VAL A 29 -4.372 6.171 1.938 1.00 0.81 H new ATOM 0 HG13 VAL A 29 -3.915 5.028 0.652 1.00 0.81 H new ATOM 0 HG21 VAL A 29 -1.502 3.802 2.094 1.00 0.85 H new ATOM 0 HG22 VAL A 29 -1.525 4.325 0.392 1.00 0.85 H new ATOM 0 HG23 VAL A 29 -0.286 4.959 1.502 1.00 0.85 H new ATOM 488 N ASN A 30 -1.683 8.884 2.319 1.00 0.99 N ATOM 489 CA ASN A 30 -2.089 10.168 2.965 1.00 1.03 C ATOM 490 C ASN A 30 -2.437 11.173 1.874 1.00 1.06 C ATOM 491 O ASN A 30 -3.136 12.124 2.092 1.00 1.09 O ATOM 492 CB ASN A 30 -0.927 10.726 3.814 1.00 1.08 C ATOM 493 CG ASN A 30 -1.469 11.396 5.083 1.00 1.08 C ATOM 494 OD1 ASN A 30 -1.820 10.651 6.093 1.00 1.11 O flip ATOM 495 ND2 ASN A 30 -1.572 12.605 5.151 1.00 1.06 N flip ATOM 0 H ASN A 30 -0.767 8.533 2.597 1.00 0.99 H new ATOM 0 HA ASN A 30 -2.949 9.994 3.611 1.00 1.03 H new ATOM 0 HB2 ASN A 30 -0.245 9.920 4.083 1.00 1.08 H new ATOM 0 HB3 ASN A 30 -0.354 11.447 3.230 1.00 1.08 H new ATOM 0 HD21 ASN A 30 -1.296 13.186 4.359 1.00 1.06 H new ATOM 0 HD22 ASN A 30 -1.934 13.039 6.000 1.00 1.06 H new ATOM 502 N LYS A 31 -1.939 10.957 0.702 1.00 1.07 N ATOM 503 CA LYS A 31 -2.218 11.894 -0.414 1.00 1.11 C ATOM 504 C LYS A 31 -3.590 11.573 -0.969 1.00 1.06 C ATOM 505 O LYS A 31 -4.474 12.416 -1.018 1.00 1.08 O ATOM 506 CB LYS A 31 -1.162 11.722 -1.509 1.00 1.13 C ATOM 507 CG LYS A 31 -1.245 12.896 -2.489 1.00 1.18 C ATOM 508 CD LYS A 31 -0.476 12.554 -3.769 1.00 1.19 C ATOM 509 CE LYS A 31 0.990 12.262 -3.434 1.00 1.23 C ATOM 510 NZ LYS A 31 1.113 10.872 -2.911 1.00 1.29 N ATOM 0 H LYS A 31 -1.344 10.164 0.462 1.00 1.07 H new ATOM 0 HA LYS A 31 -2.188 12.924 -0.059 1.00 1.11 H new ATOM 0 HB2 LYS A 31 -0.167 11.675 -1.065 1.00 1.13 H new ATOM 0 HB3 LYS A 31 -1.321 10.782 -2.037 1.00 1.13 H new ATOM 0 HG2 LYS A 31 -2.287 13.112 -2.726 1.00 1.18 H new ATOM 0 HG3 LYS A 31 -0.829 13.794 -2.032 1.00 1.18 H new ATOM 0 HD2 LYS A 31 -0.927 11.688 -4.254 1.00 1.19 H new ATOM 0 HD3 LYS A 31 -0.539 13.383 -4.474 1.00 1.19 H new ATOM 0 HE2 LYS A 31 1.608 12.383 -4.323 1.00 1.23 H new ATOM 0 HE3 LYS A 31 1.354 12.974 -2.693 1.00 1.23 H new ATOM 0 HZ1 LYS A 31 1.288 10.901 -1.886 1.00 1.29 H new ATOM 0 HZ2 LYS A 31 0.232 10.352 -3.097 1.00 1.29 H new ATOM 0 HZ3 LYS A 31 1.905 10.392 -3.384 1.00 1.29 H new ATOM 524 N HIS A 32 -3.801 10.349 -1.354 1.00 1.01 N ATOM 525 CA HIS A 32 -5.076 9.964 -1.857 1.00 0.97 C ATOM 526 C HIS A 32 -6.086 10.174 -0.735 1.00 0.95 C ATOM 527 O HIS A 32 -7.236 10.449 -0.960 1.00 0.95 O ATOM 528 CB HIS A 32 -4.922 8.503 -2.214 1.00 0.91 C ATOM 529 CG HIS A 32 -4.307 8.359 -3.583 1.00 0.93 C ATOM 530 ND1 HIS A 32 -3.295 7.447 -3.843 1.00 0.89 N ATOM 531 CD2 HIS A 32 -4.539 9.007 -4.771 1.00 0.98 C ATOM 532 CE1 HIS A 32 -2.959 7.572 -5.139 1.00 0.93 C ATOM 533 NE2 HIS A 32 -3.686 8.509 -5.751 1.00 0.98 N ATOM 0 H HIS A 32 -3.104 9.604 -1.327 1.00 1.01 H new ATOM 0 HA HIS A 32 -5.416 10.531 -2.724 1.00 0.97 H new ATOM 0 HB2 HIS A 32 -4.297 8.005 -1.473 1.00 0.91 H new ATOM 0 HB3 HIS A 32 -5.895 8.012 -2.192 1.00 0.91 H new ATOM 0 HD1 HIS A 32 -2.881 6.799 -3.173 1.00 0.89 H new ATOM 0 HD2 HIS A 32 -5.272 9.785 -4.922 1.00 0.98 H new ATOM 0 HE1 HIS A 32 -2.194 6.985 -5.626 1.00 0.93 H new ATOM 541 N LEU A 33 -5.631 10.076 0.483 1.00 0.95 N ATOM 542 CA LEU A 33 -6.533 10.291 1.645 1.00 0.94 C ATOM 543 C LEU A 33 -6.630 11.789 1.910 1.00 1.01 C ATOM 544 O LEU A 33 -7.709 12.334 2.035 1.00 1.02 O ATOM 545 CB LEU A 33 -5.955 9.570 2.860 1.00 0.92 C ATOM 546 CG LEU A 33 -6.324 8.075 2.823 1.00 0.85 C ATOM 547 CD1 LEU A 33 -5.423 7.310 3.797 1.00 0.82 C ATOM 548 CD2 LEU A 33 -7.799 7.865 3.223 1.00 0.84 C ATOM 0 H LEU A 33 -4.665 9.854 0.723 1.00 0.95 H new ATOM 0 HA LEU A 33 -7.528 9.896 1.442 1.00 0.94 H new ATOM 0 HB2 LEU A 33 -4.871 9.683 2.876 1.00 0.92 H new ATOM 0 HB3 LEU A 33 -6.337 10.023 3.775 1.00 0.92 H new ATOM 0 HG LEU A 33 -6.182 7.705 1.808 1.00 0.85 H new ATOM 0 HD11 LEU A 33 -5.680 6.251 3.775 1.00 0.82 H new ATOM 0 HD12 LEU A 33 -4.381 7.437 3.504 1.00 0.82 H new ATOM 0 HD13 LEU A 33 -5.566 7.697 4.806 1.00 0.82 H new ATOM 0 HD21 LEU A 33 -8.037 6.802 3.190 1.00 0.84 H new ATOM 0 HD22 LEU A 33 -7.959 8.241 4.233 1.00 0.84 H new ATOM 0 HD23 LEU A 33 -8.444 8.403 2.529 1.00 0.84 H new ATOM 560 N ASN A 34 -5.516 12.470 1.988 1.00 1.05 N ATOM 561 CA ASN A 34 -5.577 13.941 2.232 1.00 1.12 C ATOM 562 C ASN A 34 -6.601 14.573 1.276 1.00 1.14 C ATOM 563 O ASN A 34 -7.089 15.659 1.518 1.00 1.18 O ATOM 564 CB ASN A 34 -4.192 14.567 2.005 1.00 1.18 C ATOM 565 CG ASN A 34 -4.307 16.094 1.961 1.00 1.25 C ATOM 566 OD1 ASN A 34 -4.776 16.707 2.900 1.00 1.26 O ATOM 567 ND2 ASN A 34 -3.895 16.736 0.903 1.00 1.29 N ATOM 0 H ASN A 34 -4.579 12.078 1.895 1.00 1.05 H new ATOM 0 HA ASN A 34 -5.881 14.125 3.262 1.00 1.12 H new ATOM 0 HB2 ASN A 34 -3.514 14.268 2.804 1.00 1.18 H new ATOM 0 HB3 ASN A 34 -3.766 14.199 1.071 1.00 1.18 H new ATOM 0 HD21 ASN A 34 -3.966 17.753 0.863 1.00 1.29 H new ATOM 0 HD22 ASN A 34 -3.501 16.221 0.115 1.00 1.29 H new ATOM 574 N LYS A 35 -6.940 13.909 0.194 1.00 1.11 N ATOM 575 CA LYS A 35 -7.941 14.507 -0.741 1.00 1.13 C ATOM 576 C LYS A 35 -9.242 14.754 0.031 1.00 1.11 C ATOM 577 O LYS A 35 -9.698 15.873 0.165 1.00 1.16 O ATOM 578 CB LYS A 35 -8.189 13.525 -1.914 1.00 1.10 C ATOM 579 CG LYS A 35 -7.961 14.224 -3.267 1.00 0.97 C ATOM 580 CD LYS A 35 -6.451 14.398 -3.521 1.00 1.01 C ATOM 581 CE LYS A 35 -5.858 13.107 -4.113 1.00 1.10 C ATOM 582 NZ LYS A 35 -5.899 13.184 -5.601 1.00 1.15 N ATOM 0 H LYS A 35 -6.573 12.996 -0.076 1.00 1.11 H new ATOM 0 HA LYS A 35 -7.574 15.451 -1.144 1.00 1.13 H new ATOM 0 HB2 LYS A 35 -7.521 12.668 -1.825 1.00 1.10 H new ATOM 0 HB3 LYS A 35 -9.208 13.141 -1.864 1.00 1.10 H new ATOM 0 HG2 LYS A 35 -8.408 13.637 -4.069 1.00 0.97 H new ATOM 0 HG3 LYS A 35 -8.454 15.196 -3.271 1.00 0.97 H new ATOM 0 HD2 LYS A 35 -6.284 15.230 -4.205 1.00 1.01 H new ATOM 0 HD3 LYS A 35 -5.944 14.645 -2.588 1.00 1.01 H new ATOM 0 HE2 LYS A 35 -4.831 12.975 -3.772 1.00 1.10 H new ATOM 0 HE3 LYS A 35 -6.423 12.241 -3.766 1.00 1.10 H new ATOM 0 HZ1 LYS A 35 -5.499 12.313 -6.005 1.00 1.15 H new ATOM 0 HZ2 LYS A 35 -6.884 13.291 -5.916 1.00 1.15 H new ATOM 0 HZ3 LYS A 35 -5.342 14.002 -5.922 1.00 1.15 H new ATOM 596 N LEU A 36 -9.827 13.715 0.556 1.00 1.04 N ATOM 597 CA LEU A 36 -11.080 13.879 1.339 1.00 1.02 C ATOM 598 C LEU A 36 -10.690 14.382 2.731 1.00 1.05 C ATOM 599 O LEU A 36 -11.511 14.581 3.600 1.00 1.03 O ATOM 600 CB LEU A 36 -11.789 12.526 1.423 1.00 0.95 C ATOM 601 CG LEU A 36 -13.254 12.703 1.870 1.00 0.94 C ATOM 602 CD1 LEU A 36 -14.135 13.112 0.680 1.00 0.97 C ATOM 603 CD2 LEU A 36 -13.779 11.379 2.437 1.00 0.89 C ATOM 0 H LEU A 36 -9.489 12.756 0.476 1.00 1.04 H new ATOM 0 HA LEU A 36 -11.759 14.592 0.871 1.00 1.02 H new ATOM 0 HB2 LEU A 36 -11.757 12.033 0.451 1.00 0.95 H new ATOM 0 HB3 LEU A 36 -11.265 11.879 2.126 1.00 0.95 H new ATOM 0 HG LEU A 36 -13.291 13.483 2.631 1.00 0.94 H new ATOM 0 HD11 LEU A 36 -15.165 13.232 1.015 1.00 0.97 H new ATOM 0 HD12 LEU A 36 -13.775 14.055 0.268 1.00 0.97 H new ATOM 0 HD13 LEU A 36 -14.091 12.340 -0.088 1.00 0.97 H new ATOM 0 HD21 LEU A 36 -14.815 11.504 2.753 1.00 0.89 H new ATOM 0 HD22 LEU A 36 -13.724 10.607 1.669 1.00 0.89 H new ATOM 0 HD23 LEU A 36 -13.172 11.083 3.292 1.00 0.89 H new ATOM 615 N ASN A 37 -9.420 14.612 2.912 1.00 1.11 N ATOM 616 CA ASN A 37 -8.883 15.137 4.190 1.00 1.16 C ATOM 617 C ASN A 37 -8.979 14.100 5.319 1.00 1.11 C ATOM 618 O ASN A 37 -9.887 14.069 6.122 1.00 1.12 O ATOM 619 CB ASN A 37 -9.575 16.478 4.507 1.00 1.22 C ATOM 620 CG ASN A 37 -10.723 16.344 5.518 1.00 1.19 C ATOM 621 OD1 ASN A 37 -10.491 16.238 6.706 1.00 1.16 O ATOM 622 ND2 ASN A 37 -11.959 16.369 5.099 1.00 1.21 N ATOM 0 H ASN A 37 -8.710 14.450 2.198 1.00 1.11 H new ATOM 0 HA ASN A 37 -7.815 15.332 4.094 1.00 1.16 H new ATOM 0 HB2 ASN A 37 -8.836 17.177 4.898 1.00 1.22 H new ATOM 0 HB3 ASN A 37 -9.962 16.907 3.583 1.00 1.22 H new ATOM 0 HD21 ASN A 37 -12.726 16.300 5.768 1.00 1.21 H new ATOM 0 HD22 ASN A 37 -12.158 16.458 4.103 1.00 1.21 H new ATOM 629 N LEU A 38 -7.994 13.253 5.378 1.00 1.06 N ATOM 630 CA LEU A 38 -7.936 12.211 6.452 1.00 1.02 C ATOM 631 C LEU A 38 -6.467 11.997 6.824 1.00 1.02 C ATOM 632 O LEU A 38 -5.644 12.872 6.639 1.00 1.06 O ATOM 633 CB LEU A 38 -8.563 10.887 5.971 1.00 0.98 C ATOM 634 CG LEU A 38 -10.115 10.989 5.945 1.00 0.97 C ATOM 635 CD1 LEU A 38 -10.606 11.411 4.550 1.00 0.96 C ATOM 636 CD2 LEU A 38 -10.731 9.626 6.308 1.00 1.02 C ATOM 0 H LEU A 38 -7.213 13.233 4.722 1.00 1.06 H new ATOM 0 HA LEU A 38 -8.504 12.545 7.320 1.00 1.02 H new ATOM 0 HB2 LEU A 38 -8.193 10.645 4.975 1.00 0.98 H new ATOM 0 HB3 LEU A 38 -8.258 10.074 6.630 1.00 0.98 H new ATOM 0 HG LEU A 38 -10.424 11.740 6.672 1.00 0.97 H new ATOM 0 HD11 LEU A 38 -11.694 11.477 4.552 1.00 0.96 H new ATOM 0 HD12 LEU A 38 -10.184 12.383 4.294 1.00 0.96 H new ATOM 0 HD13 LEU A 38 -10.288 10.673 3.814 1.00 0.96 H new ATOM 0 HD21 LEU A 38 -11.818 9.701 6.289 1.00 1.02 H new ATOM 0 HD22 LEU A 38 -10.406 8.876 5.586 1.00 1.02 H new ATOM 0 HD23 LEU A 38 -10.405 9.334 7.306 1.00 1.02 H new ATOM 648 N GLU A 39 -6.123 10.860 7.356 1.00 1.02 N ATOM 649 CA GLU A 39 -4.703 10.634 7.741 1.00 1.03 C ATOM 650 C GLU A 39 -4.456 9.156 8.056 1.00 0.98 C ATOM 651 O GLU A 39 -5.007 8.605 8.988 1.00 0.95 O ATOM 652 CB GLU A 39 -4.383 11.471 8.981 1.00 1.08 C ATOM 653 CG GLU A 39 -2.868 11.516 9.189 1.00 1.11 C ATOM 654 CD GLU A 39 -2.556 12.057 10.587 1.00 1.16 C ATOM 655 OE1 GLU A 39 -3.415 11.957 11.447 1.00 1.13 O ATOM 656 OE2 GLU A 39 -1.461 12.562 10.773 1.00 1.24 O ATOM 0 H GLU A 39 -6.757 10.082 7.540 1.00 1.02 H new ATOM 0 HA GLU A 39 -4.062 10.926 6.909 1.00 1.03 H new ATOM 0 HB2 GLU A 39 -4.775 12.481 8.862 1.00 1.08 H new ATOM 0 HB3 GLU A 39 -4.869 11.042 9.858 1.00 1.08 H new ATOM 0 HG2 GLU A 39 -2.445 10.518 9.072 1.00 1.11 H new ATOM 0 HG3 GLU A 39 -2.406 12.149 8.432 1.00 1.11 H new ATOM 663 N VAL A 40 -3.609 8.520 7.293 1.00 0.98 N ATOM 664 CA VAL A 40 -3.286 7.082 7.543 1.00 0.94 C ATOM 665 C VAL A 40 -2.091 7.015 8.499 1.00 0.95 C ATOM 666 O VAL A 40 -1.350 7.968 8.636 1.00 0.99 O ATOM 667 CB VAL A 40 -2.934 6.408 6.211 1.00 0.91 C ATOM 668 CG1 VAL A 40 -1.873 7.244 5.456 1.00 0.94 C ATOM 669 CG2 VAL A 40 -2.409 4.989 6.479 1.00 0.89 C ATOM 0 H VAL A 40 -3.122 8.937 6.500 1.00 0.98 H new ATOM 0 HA VAL A 40 -4.139 6.567 7.985 1.00 0.94 H new ATOM 0 HB VAL A 40 -3.827 6.345 5.590 1.00 0.91 H new ATOM 0 HG11 VAL A 40 -1.630 6.757 4.512 1.00 0.94 H new ATOM 0 HG12 VAL A 40 -2.268 8.241 5.259 1.00 0.94 H new ATOM 0 HG13 VAL A 40 -0.972 7.324 6.065 1.00 0.94 H new ATOM 0 HG21 VAL A 40 -2.159 4.509 5.533 1.00 0.89 H new ATOM 0 HG22 VAL A 40 -1.519 5.043 7.106 1.00 0.89 H new ATOM 0 HG23 VAL A 40 -3.177 4.407 6.989 1.00 0.89 H new ATOM 679 N THR A 41 -1.906 5.907 9.174 1.00 0.93 N ATOM 680 CA THR A 41 -0.761 5.794 10.140 1.00 0.95 C ATOM 681 C THR A 41 -0.114 4.411 10.056 1.00 0.91 C ATOM 682 O THR A 41 1.023 4.235 10.446 1.00 0.96 O ATOM 683 CB THR A 41 -1.291 5.986 11.568 1.00 1.01 C ATOM 684 OG1 THR A 41 -2.371 6.909 11.551 1.00 1.12 O ATOM 685 CG2 THR A 41 -0.177 6.516 12.476 1.00 1.20 C ATOM 0 H THR A 41 -2.494 5.077 9.101 1.00 0.93 H new ATOM 0 HA THR A 41 -0.022 6.555 9.889 1.00 0.95 H new ATOM 0 HB THR A 41 -1.635 5.026 11.953 1.00 1.01 H new ATOM 0 HG1 THR A 41 -2.711 7.031 12.462 1.00 1.12 H new ATOM 0 HG21 THR A 41 -0.563 6.649 13.487 1.00 1.20 H new ATOM 0 HG22 THR A 41 0.648 5.804 12.494 1.00 1.20 H new ATOM 0 HG23 THR A 41 0.178 7.473 12.095 1.00 1.20 H new ATOM 693 N GLU A 42 -0.835 3.420 9.592 1.00 0.86 N ATOM 694 CA GLU A 42 -0.259 2.042 9.529 1.00 0.83 C ATOM 695 C GLU A 42 -0.482 1.449 8.144 1.00 0.81 C ATOM 696 O GLU A 42 -1.437 0.737 7.911 1.00 0.88 O ATOM 697 CB GLU A 42 -0.946 1.164 10.578 1.00 0.78 C ATOM 698 CG GLU A 42 -0.414 1.518 11.969 1.00 0.77 C ATOM 699 CD GLU A 42 -1.198 0.743 13.028 1.00 0.78 C ATOM 700 OE1 GLU A 42 -2.410 0.881 13.058 1.00 0.84 O ATOM 701 OE2 GLU A 42 -0.575 0.024 13.791 1.00 0.83 O ATOM 0 H GLU A 42 -1.794 3.506 9.255 1.00 0.86 H new ATOM 0 HA GLU A 42 0.812 2.087 9.728 1.00 0.83 H new ATOM 0 HB2 GLU A 42 -2.025 1.312 10.541 1.00 0.78 H new ATOM 0 HB3 GLU A 42 -0.762 0.111 10.364 1.00 0.78 H new ATOM 0 HG2 GLU A 42 0.647 1.276 12.037 1.00 0.77 H new ATOM 0 HG3 GLU A 42 -0.508 2.590 12.144 1.00 0.77 H new ATOM 708 N LEU A 43 0.400 1.717 7.222 1.00 0.80 N ATOM 709 CA LEU A 43 0.231 1.144 5.864 1.00 0.78 C ATOM 710 C LEU A 43 0.103 -0.372 6.012 1.00 0.74 C ATOM 711 O LEU A 43 -0.731 -1.010 5.404 1.00 0.70 O ATOM 712 CB LEU A 43 1.461 1.506 5.012 1.00 0.86 C ATOM 713 CG LEU A 43 1.388 0.878 3.602 1.00 0.83 C ATOM 714 CD1 LEU A 43 1.653 -0.644 3.643 1.00 0.85 C ATOM 715 CD2 LEU A 43 0.015 1.159 2.971 1.00 0.90 C ATOM 0 H LEU A 43 1.224 2.304 7.351 1.00 0.80 H new ATOM 0 HA LEU A 43 -0.657 1.541 5.373 1.00 0.78 H new ATOM 0 HB2 LEU A 43 1.536 2.590 4.924 1.00 0.86 H new ATOM 0 HB3 LEU A 43 2.365 1.164 5.516 1.00 0.86 H new ATOM 0 HG LEU A 43 2.167 1.335 2.992 1.00 0.83 H new ATOM 0 HD11 LEU A 43 1.593 -1.051 2.634 1.00 0.85 H new ATOM 0 HD12 LEU A 43 2.647 -0.829 4.051 1.00 0.85 H new ATOM 0 HD13 LEU A 43 0.906 -1.127 4.273 1.00 0.85 H new ATOM 0 HD21 LEU A 43 -0.027 0.713 1.977 1.00 0.90 H new ATOM 0 HD22 LEU A 43 -0.768 0.728 3.596 1.00 0.90 H new ATOM 0 HD23 LEU A 43 -0.135 2.236 2.892 1.00 0.90 H new ATOM 727 N GLU A 44 0.939 -0.947 6.823 1.00 0.79 N ATOM 728 CA GLU A 44 0.899 -2.425 7.027 1.00 0.77 C ATOM 729 C GLU A 44 -0.549 -2.932 7.232 1.00 0.69 C ATOM 730 O GLU A 44 -1.064 -3.742 6.478 1.00 0.70 O ATOM 731 CB GLU A 44 1.737 -2.786 8.280 1.00 0.83 C ATOM 732 CG GLU A 44 2.596 -1.597 8.705 1.00 0.84 C ATOM 733 CD GLU A 44 3.469 -1.993 9.896 1.00 0.99 C ATOM 734 OE1 GLU A 44 3.244 -3.061 10.441 1.00 1.14 O ATOM 735 OE2 GLU A 44 4.349 -1.223 10.243 1.00 1.11 O ATOM 0 H GLU A 44 1.655 -0.457 7.359 1.00 0.79 H new ATOM 0 HA GLU A 44 1.307 -2.901 6.136 1.00 0.77 H new ATOM 0 HB2 GLU A 44 1.076 -3.076 9.097 1.00 0.83 H new ATOM 0 HB3 GLU A 44 2.373 -3.644 8.065 1.00 0.83 H new ATOM 0 HG2 GLU A 44 3.223 -1.273 7.874 1.00 0.84 H new ATOM 0 HG3 GLU A 44 1.960 -0.753 8.972 1.00 0.84 H new ATOM 742 N THR A 45 -1.187 -2.487 8.273 1.00 0.65 N ATOM 743 CA THR A 45 -2.567 -2.967 8.572 1.00 0.60 C ATOM 744 C THR A 45 -3.598 -2.271 7.684 1.00 0.58 C ATOM 745 O THR A 45 -4.779 -2.541 7.771 1.00 0.58 O ATOM 746 CB THR A 45 -2.885 -2.700 10.055 1.00 0.65 C ATOM 747 OG1 THR A 45 -3.963 -3.534 10.457 1.00 0.84 O ATOM 748 CG2 THR A 45 -3.273 -1.226 10.278 1.00 0.64 C ATOM 0 H THR A 45 -0.813 -1.808 8.936 1.00 0.65 H new ATOM 0 HA THR A 45 -2.617 -4.037 8.368 1.00 0.60 H new ATOM 0 HB THR A 45 -1.996 -2.917 10.647 1.00 0.65 H new ATOM 0 HG1 THR A 45 -4.169 -3.370 11.401 1.00 0.84 H new ATOM 0 HG21 THR A 45 -3.493 -1.063 11.333 1.00 0.64 H new ATOM 0 HG22 THR A 45 -2.447 -0.583 9.976 1.00 0.64 H new ATOM 0 HG23 THR A 45 -4.155 -0.988 9.683 1.00 0.64 H new ATOM 756 N GLN A 46 -3.184 -1.391 6.821 1.00 0.59 N ATOM 757 CA GLN A 46 -4.177 -0.723 5.952 1.00 0.59 C ATOM 758 C GLN A 46 -4.590 -1.719 4.886 1.00 0.54 C ATOM 759 O GLN A 46 -5.587 -1.553 4.211 1.00 0.58 O ATOM 760 CB GLN A 46 -3.581 0.531 5.315 1.00 0.65 C ATOM 761 CG GLN A 46 -3.598 1.692 6.340 1.00 0.66 C ATOM 762 CD GLN A 46 -4.823 2.589 6.113 1.00 0.78 C ATOM 763 OE1 GLN A 46 -4.745 3.577 5.411 1.00 0.81 O ATOM 764 NE2 GLN A 46 -5.957 2.282 6.683 1.00 1.04 N ATOM 0 H GLN A 46 -2.213 -1.110 6.683 1.00 0.59 H new ATOM 0 HA GLN A 46 -5.042 -0.408 6.536 1.00 0.59 H new ATOM 0 HB2 GLN A 46 -2.560 0.335 4.989 1.00 0.65 H new ATOM 0 HB3 GLN A 46 -4.151 0.807 4.428 1.00 0.65 H new ATOM 0 HG2 GLN A 46 -3.616 1.291 7.353 1.00 0.66 H new ATOM 0 HG3 GLN A 46 -2.686 2.281 6.247 1.00 0.66 H new ATOM 0 HE21 GLN A 46 -6.023 1.452 7.273 1.00 1.04 H new ATOM 0 HE22 GLN A 46 -6.777 2.872 6.539 1.00 1.04 H new ATOM 773 N PHE A 47 -3.837 -2.787 4.758 1.00 0.50 N ATOM 774 CA PHE A 47 -4.177 -3.835 3.780 1.00 0.49 C ATOM 775 C PHE A 47 -4.816 -4.956 4.567 1.00 0.46 C ATOM 776 O PHE A 47 -5.478 -5.817 4.028 1.00 0.49 O ATOM 777 CB PHE A 47 -2.906 -4.322 3.082 1.00 0.54 C ATOM 778 CG PHE A 47 -2.604 -3.439 1.888 1.00 0.63 C ATOM 779 CD1 PHE A 47 -2.254 -2.097 2.081 1.00 0.75 C ATOM 780 CD2 PHE A 47 -2.674 -3.962 0.591 1.00 0.71 C ATOM 781 CE1 PHE A 47 -1.975 -1.281 0.978 1.00 0.87 C ATOM 782 CE2 PHE A 47 -2.392 -3.147 -0.511 1.00 0.83 C ATOM 783 CZ PHE A 47 -2.043 -1.806 -0.318 1.00 0.89 C ATOM 0 H PHE A 47 -2.994 -2.967 5.303 1.00 0.50 H new ATOM 0 HA PHE A 47 -4.853 -3.466 3.009 1.00 0.49 H new ATOM 0 HB2 PHE A 47 -2.068 -4.305 3.779 1.00 0.54 H new ATOM 0 HB3 PHE A 47 -3.031 -5.355 2.759 1.00 0.54 H new ATOM 0 HD1 PHE A 47 -2.199 -1.691 3.080 1.00 0.75 H new ATOM 0 HD2 PHE A 47 -2.946 -4.996 0.441 1.00 0.71 H new ATOM 0 HE1 PHE A 47 -1.707 -0.245 1.127 1.00 0.87 H new ATOM 0 HE2 PHE A 47 -2.444 -3.553 -1.510 1.00 0.83 H new ATOM 0 HZ PHE A 47 -1.826 -1.176 -1.168 1.00 0.89 H new ATOM 793 N ALA A 48 -4.651 -4.914 5.858 1.00 0.42 N ATOM 794 CA ALA A 48 -5.277 -5.945 6.732 1.00 0.40 C ATOM 795 C ALA A 48 -6.788 -5.798 6.658 1.00 0.36 C ATOM 796 O ALA A 48 -7.508 -6.147 7.569 1.00 0.36 O ATOM 797 CB ALA A 48 -4.806 -5.777 8.178 1.00 0.42 C ATOM 0 H ALA A 48 -4.106 -4.206 6.349 1.00 0.42 H new ATOM 0 HA ALA A 48 -4.983 -6.937 6.390 1.00 0.40 H new ATOM 0 HB1 ALA A 48 -5.273 -6.538 8.803 1.00 0.42 H new ATOM 0 HB2 ALA A 48 -3.722 -5.885 8.223 1.00 0.42 H new ATOM 0 HB3 ALA A 48 -5.087 -4.788 8.540 1.00 0.42 H new ATOM 803 N ASP A 49 -7.260 -5.290 5.560 1.00 0.34 N ATOM 804 CA ASP A 49 -8.729 -5.109 5.372 1.00 0.32 C ATOM 805 C ASP A 49 -8.973 -4.505 3.976 1.00 0.31 C ATOM 806 O ASP A 49 -10.077 -4.470 3.474 1.00 0.31 O ATOM 807 CB ASP A 49 -9.269 -4.196 6.491 1.00 0.32 C ATOM 808 CG ASP A 49 -10.657 -3.655 6.152 1.00 0.33 C ATOM 809 OD1 ASP A 49 -11.337 -4.271 5.359 1.00 0.34 O ATOM 810 OD2 ASP A 49 -11.023 -2.638 6.716 1.00 0.36 O ATOM 0 H ASP A 49 -6.687 -4.987 4.772 1.00 0.34 H new ATOM 0 HA ASP A 49 -9.255 -6.062 5.432 1.00 0.32 H new ATOM 0 HB2 ASP A 49 -9.313 -4.753 7.427 1.00 0.32 H new ATOM 0 HB3 ASP A 49 -8.582 -3.365 6.647 1.00 0.32 H new ATOM 815 N GLY A 50 -7.925 -4.071 3.330 1.00 0.32 N ATOM 816 CA GLY A 50 -8.051 -3.506 1.949 1.00 0.33 C ATOM 817 C GLY A 50 -9.233 -2.527 1.830 1.00 0.33 C ATOM 818 O GLY A 50 -9.693 -2.235 0.740 1.00 0.34 O ATOM 0 H GLY A 50 -6.975 -4.083 3.701 1.00 0.32 H new ATOM 0 HA2 GLY A 50 -7.127 -2.993 1.682 1.00 0.33 H new ATOM 0 HA3 GLY A 50 -8.181 -4.320 1.235 1.00 0.33 H new ATOM 822 N VAL A 51 -9.726 -2.001 2.916 1.00 0.33 N ATOM 823 CA VAL A 51 -10.864 -1.034 2.813 1.00 0.36 C ATOM 824 C VAL A 51 -10.295 0.351 2.523 1.00 0.40 C ATOM 825 O VAL A 51 -10.565 0.943 1.496 1.00 0.42 O ATOM 826 CB VAL A 51 -11.622 -1.020 4.148 1.00 0.37 C ATOM 827 CG1 VAL A 51 -12.366 0.313 4.351 1.00 0.43 C ATOM 828 CG2 VAL A 51 -12.636 -2.181 4.185 1.00 0.36 C ATOM 0 H VAL A 51 -9.398 -2.193 3.862 1.00 0.33 H new ATOM 0 HA VAL A 51 -11.547 -1.324 2.014 1.00 0.36 H new ATOM 0 HB VAL A 51 -10.894 -1.136 4.951 1.00 0.37 H new ATOM 0 HG11 VAL A 51 -12.894 0.294 5.305 1.00 0.43 H new ATOM 0 HG12 VAL A 51 -11.649 1.134 4.350 1.00 0.43 H new ATOM 0 HG13 VAL A 51 -13.083 0.456 3.543 1.00 0.43 H new ATOM 0 HG21 VAL A 51 -13.171 -2.167 5.134 1.00 0.36 H new ATOM 0 HG22 VAL A 51 -13.347 -2.070 3.366 1.00 0.36 H new ATOM 0 HG23 VAL A 51 -12.108 -3.129 4.081 1.00 0.36 H new ATOM 838 N TYR A 52 -9.488 0.865 3.409 1.00 0.41 N ATOM 839 CA TYR A 52 -8.888 2.198 3.163 1.00 0.47 C ATOM 840 C TYR A 52 -8.142 2.116 1.842 1.00 0.47 C ATOM 841 O TYR A 52 -7.726 3.108 1.276 1.00 0.51 O ATOM 842 CB TYR A 52 -7.912 2.544 4.289 1.00 0.49 C ATOM 843 CG TYR A 52 -8.672 2.689 5.585 1.00 0.51 C ATOM 844 CD1 TYR A 52 -9.275 3.910 5.910 1.00 0.57 C ATOM 845 CD2 TYR A 52 -8.775 1.602 6.462 1.00 0.48 C ATOM 846 CE1 TYR A 52 -9.981 4.044 7.111 1.00 0.60 C ATOM 847 CE2 TYR A 52 -9.481 1.737 7.663 1.00 0.51 C ATOM 848 CZ TYR A 52 -10.085 2.958 7.987 1.00 0.57 C ATOM 849 OH TYR A 52 -10.782 3.090 9.172 1.00 0.60 O ATOM 0 H TYR A 52 -9.221 0.420 4.287 1.00 0.41 H new ATOM 0 HA TYR A 52 -9.657 2.970 3.128 1.00 0.47 H new ATOM 0 HB2 TYR A 52 -7.157 1.764 4.383 1.00 0.49 H new ATOM 0 HB3 TYR A 52 -7.386 3.470 4.057 1.00 0.49 H new ATOM 0 HD1 TYR A 52 -9.195 4.748 5.234 1.00 0.57 H new ATOM 0 HD2 TYR A 52 -8.310 0.660 6.212 1.00 0.48 H new ATOM 0 HE1 TYR A 52 -10.446 4.986 7.362 1.00 0.60 H new ATOM 0 HE2 TYR A 52 -9.560 0.899 8.340 1.00 0.51 H new ATOM 0 HH TYR A 52 -10.758 2.242 9.662 1.00 0.60 H new ATOM 859 N LEU A 53 -7.982 0.921 1.344 1.00 0.43 N ATOM 860 CA LEU A 53 -7.268 0.746 0.050 1.00 0.44 C ATOM 861 C LEU A 53 -8.207 1.114 -1.098 1.00 0.45 C ATOM 862 O LEU A 53 -7.960 2.051 -1.828 1.00 0.50 O ATOM 863 CB LEU A 53 -6.813 -0.709 -0.090 1.00 0.41 C ATOM 864 CG LEU A 53 -6.306 -0.983 -1.511 1.00 0.44 C ATOM 865 CD1 LEU A 53 -5.304 0.096 -1.934 1.00 0.44 C ATOM 866 CD2 LEU A 53 -5.623 -2.351 -1.533 1.00 0.46 C ATOM 0 H LEU A 53 -8.315 0.060 1.777 1.00 0.43 H new ATOM 0 HA LEU A 53 -6.393 1.396 0.021 1.00 0.44 H new ATOM 0 HB2 LEU A 53 -6.023 -0.919 0.631 1.00 0.41 H new ATOM 0 HB3 LEU A 53 -7.642 -1.378 0.141 1.00 0.41 H new ATOM 0 HG LEU A 53 -7.146 -0.970 -2.205 1.00 0.44 H new ATOM 0 HD11 LEU A 53 -4.952 -0.111 -2.945 1.00 0.44 H new ATOM 0 HD12 LEU A 53 -5.789 1.072 -1.911 1.00 0.44 H new ATOM 0 HD13 LEU A 53 -4.457 0.095 -1.248 1.00 0.44 H new ATOM 0 HD21 LEU A 53 -5.257 -2.559 -2.539 1.00 0.46 H new ATOM 0 HD22 LEU A 53 -4.786 -2.351 -0.835 1.00 0.46 H new ATOM 0 HD23 LEU A 53 -6.339 -3.120 -1.241 1.00 0.46 H new ATOM 878 N VAL A 54 -9.289 0.403 -1.266 1.00 0.43 N ATOM 879 CA VAL A 54 -10.217 0.760 -2.372 1.00 0.46 C ATOM 880 C VAL A 54 -10.606 2.233 -2.223 1.00 0.51 C ATOM 881 O VAL A 54 -11.006 2.889 -3.169 1.00 0.55 O ATOM 882 CB VAL A 54 -11.468 -0.116 -2.295 1.00 0.44 C ATOM 883 CG1 VAL A 54 -12.423 0.252 -3.431 1.00 0.49 C ATOM 884 CG2 VAL A 54 -11.066 -1.587 -2.424 1.00 0.41 C ATOM 0 H VAL A 54 -9.566 -0.396 -0.695 1.00 0.43 H new ATOM 0 HA VAL A 54 -9.733 0.599 -3.335 1.00 0.46 H new ATOM 0 HB VAL A 54 -11.965 0.045 -1.338 1.00 0.44 H new ATOM 0 HG11 VAL A 54 -13.314 -0.373 -3.374 1.00 0.49 H new ATOM 0 HG12 VAL A 54 -12.709 1.300 -3.341 1.00 0.49 H new ATOM 0 HG13 VAL A 54 -11.928 0.092 -4.389 1.00 0.49 H new ATOM 0 HG21 VAL A 54 -11.956 -2.214 -2.369 1.00 0.41 H new ATOM 0 HG22 VAL A 54 -10.569 -1.746 -3.381 1.00 0.41 H new ATOM 0 HG23 VAL A 54 -10.386 -1.851 -1.614 1.00 0.41 H new ATOM 894 N LEU A 55 -10.481 2.758 -1.035 1.00 0.52 N ATOM 895 CA LEU A 55 -10.838 4.183 -0.809 1.00 0.58 C ATOM 896 C LEU A 55 -9.775 5.078 -1.470 1.00 0.62 C ATOM 897 O LEU A 55 -10.089 5.941 -2.266 1.00 0.66 O ATOM 898 CB LEU A 55 -10.909 4.446 0.714 1.00 0.59 C ATOM 899 CG LEU A 55 -12.130 5.317 1.059 1.00 0.60 C ATOM 900 CD1 LEU A 55 -12.122 5.622 2.560 1.00 0.58 C ATOM 901 CD2 LEU A 55 -12.081 6.632 0.259 1.00 0.67 C ATOM 0 H LEU A 55 -10.146 2.259 -0.211 1.00 0.52 H new ATOM 0 HA LEU A 55 -11.808 4.410 -1.251 1.00 0.58 H new ATOM 0 HB2 LEU A 55 -10.969 3.498 1.249 1.00 0.59 H new ATOM 0 HB3 LEU A 55 -9.997 4.942 1.045 1.00 0.59 H new ATOM 0 HG LEU A 55 -13.043 4.781 0.799 1.00 0.60 H new ATOM 0 HD11 LEU A 55 -12.985 6.239 2.811 1.00 0.58 H new ATOM 0 HD12 LEU A 55 -12.168 4.689 3.121 1.00 0.58 H new ATOM 0 HD13 LEU A 55 -11.207 6.156 2.818 1.00 0.58 H new ATOM 0 HD21 LEU A 55 -12.949 7.243 0.509 1.00 0.67 H new ATOM 0 HD22 LEU A 55 -11.170 7.176 0.509 1.00 0.67 H new ATOM 0 HD23 LEU A 55 -12.089 6.409 -0.808 1.00 0.67 H new ATOM 913 N LEU A 56 -8.518 4.875 -1.153 1.00 0.62 N ATOM 914 CA LEU A 56 -7.450 5.714 -1.776 1.00 0.66 C ATOM 915 C LEU A 56 -7.658 5.718 -3.298 1.00 0.67 C ATOM 916 O LEU A 56 -7.482 6.723 -3.966 1.00 0.72 O ATOM 917 CB LEU A 56 -6.055 5.153 -1.378 1.00 0.65 C ATOM 918 CG LEU A 56 -5.520 4.122 -2.402 1.00 0.69 C ATOM 919 CD1 LEU A 56 -4.955 4.827 -3.666 1.00 0.72 C ATOM 920 CD2 LEU A 56 -4.411 3.286 -1.737 1.00 0.66 C ATOM 0 H LEU A 56 -8.189 4.169 -0.494 1.00 0.62 H new ATOM 0 HA LEU A 56 -7.502 6.743 -1.420 1.00 0.66 H new ATOM 0 HB2 LEU A 56 -5.346 5.977 -1.291 1.00 0.65 H new ATOM 0 HB3 LEU A 56 -6.121 4.685 -0.396 1.00 0.65 H new ATOM 0 HG LEU A 56 -6.343 3.479 -2.714 1.00 0.69 H new ATOM 0 HD11 LEU A 56 -4.587 4.078 -4.367 1.00 0.72 H new ATOM 0 HD12 LEU A 56 -5.744 5.411 -4.140 1.00 0.72 H new ATOM 0 HD13 LEU A 56 -4.137 5.488 -3.379 1.00 0.72 H new ATOM 0 HD21 LEU A 56 -4.028 2.557 -2.451 1.00 0.66 H new ATOM 0 HD22 LEU A 56 -3.601 3.943 -1.419 1.00 0.66 H new ATOM 0 HD23 LEU A 56 -4.818 2.766 -0.870 1.00 0.66 H new ATOM 932 N MET A 57 -8.045 4.600 -3.844 1.00 0.62 N ATOM 933 CA MET A 57 -8.277 4.521 -5.312 1.00 0.63 C ATOM 934 C MET A 57 -9.369 5.512 -5.706 1.00 0.68 C ATOM 935 O MET A 57 -9.246 6.230 -6.677 1.00 0.72 O ATOM 936 CB MET A 57 -8.719 3.104 -5.684 1.00 0.58 C ATOM 937 CG MET A 57 -7.613 2.112 -5.323 1.00 0.55 C ATOM 938 SD MET A 57 -8.026 0.479 -5.986 1.00 0.60 S ATOM 939 CE MET A 57 -7.243 0.685 -7.605 1.00 0.57 C ATOM 0 H MET A 57 -8.211 3.733 -3.333 1.00 0.62 H new ATOM 0 HA MET A 57 -7.355 4.764 -5.839 1.00 0.63 H new ATOM 0 HB2 MET A 57 -9.638 2.848 -5.156 1.00 0.58 H new ATOM 0 HB3 MET A 57 -8.938 3.048 -6.750 1.00 0.58 H new ATOM 0 HG2 MET A 57 -6.660 2.450 -5.729 1.00 0.55 H new ATOM 0 HG3 MET A 57 -7.497 2.058 -4.240 1.00 0.55 H new ATOM 0 HE1 MET A 57 -7.378 -0.223 -8.193 1.00 0.57 H new ATOM 0 HE2 MET A 57 -7.700 1.526 -8.126 1.00 0.57 H new ATOM 0 HE3 MET A 57 -6.178 0.876 -7.472 1.00 0.57 H new ATOM 949 N GLY A 58 -10.443 5.556 -4.969 1.00 0.67 N ATOM 950 CA GLY A 58 -11.536 6.504 -5.325 1.00 0.73 C ATOM 951 C GLY A 58 -11.045 7.941 -5.208 1.00 0.79 C ATOM 952 O GLY A 58 -11.230 8.745 -6.099 1.00 0.84 O ATOM 0 H GLY A 58 -10.611 4.982 -4.143 1.00 0.67 H new ATOM 0 HA2 GLY A 58 -11.878 6.311 -6.342 1.00 0.73 H new ATOM 0 HA3 GLY A 58 -12.390 6.349 -4.666 1.00 0.73 H new ATOM 956 N LEU A 59 -10.420 8.274 -4.123 1.00 0.79 N ATOM 957 CA LEU A 59 -9.918 9.664 -3.959 1.00 0.86 C ATOM 958 C LEU A 59 -8.963 9.977 -5.100 1.00 0.88 C ATOM 959 O LEU A 59 -8.707 11.123 -5.416 1.00 0.94 O ATOM 960 CB LEU A 59 -9.224 9.794 -2.602 1.00 0.86 C ATOM 961 CG LEU A 59 -10.182 9.255 -1.522 1.00 0.82 C ATOM 962 CD1 LEU A 59 -9.534 9.370 -0.149 1.00 0.82 C ATOM 963 CD2 LEU A 59 -11.497 10.055 -1.535 1.00 0.87 C ATOM 0 H LEU A 59 -10.233 7.647 -3.340 1.00 0.79 H new ATOM 0 HA LEU A 59 -10.742 10.377 -3.988 1.00 0.86 H new ATOM 0 HB2 LEU A 59 -8.290 9.233 -2.597 1.00 0.86 H new ATOM 0 HB3 LEU A 59 -8.971 10.835 -2.402 1.00 0.86 H new ATOM 0 HG LEU A 59 -10.396 8.208 -1.735 1.00 0.82 H new ATOM 0 HD11 LEU A 59 -10.217 8.987 0.609 1.00 0.82 H new ATOM 0 HD12 LEU A 59 -8.611 8.790 -0.132 1.00 0.82 H new ATOM 0 HD13 LEU A 59 -9.309 10.416 0.061 1.00 0.82 H new ATOM 0 HD21 LEU A 59 -12.167 9.666 -0.768 1.00 0.87 H new ATOM 0 HD22 LEU A 59 -11.286 11.105 -1.334 1.00 0.87 H new ATOM 0 HD23 LEU A 59 -11.971 9.961 -2.512 1.00 0.87 H new ATOM 975 N LEU A 60 -8.462 8.968 -5.750 1.00 0.84 N ATOM 976 CA LEU A 60 -7.557 9.219 -6.905 1.00 0.87 C ATOM 977 C LEU A 60 -8.414 9.706 -8.075 1.00 0.91 C ATOM 978 O LEU A 60 -8.192 10.768 -8.623 1.00 0.96 O ATOM 979 CB LEU A 60 -6.831 7.923 -7.295 1.00 0.82 C ATOM 980 CG LEU A 60 -5.609 8.241 -8.174 1.00 0.87 C ATOM 981 CD1 LEU A 60 -4.765 6.972 -8.344 1.00 0.83 C ATOM 982 CD2 LEU A 60 -6.060 8.752 -9.556 1.00 0.91 C ATOM 0 H LEU A 60 -8.637 7.986 -5.535 1.00 0.84 H new ATOM 0 HA LEU A 60 -6.808 9.967 -6.643 1.00 0.87 H new ATOM 0 HB2 LEU A 60 -6.514 7.391 -6.398 1.00 0.82 H new ATOM 0 HB3 LEU A 60 -7.513 7.264 -7.832 1.00 0.82 H new ATOM 0 HG LEU A 60 -5.016 9.018 -7.692 1.00 0.87 H new ATOM 0 HD11 LEU A 60 -3.898 7.193 -8.966 1.00 0.83 H new ATOM 0 HD12 LEU A 60 -4.431 6.623 -7.367 1.00 0.83 H new ATOM 0 HD13 LEU A 60 -5.365 6.197 -8.820 1.00 0.83 H new ATOM 0 HD21 LEU A 60 -5.184 8.973 -10.166 1.00 0.91 H new ATOM 0 HD22 LEU A 60 -6.662 7.988 -10.048 1.00 0.91 H new ATOM 0 HD23 LEU A 60 -6.654 9.658 -9.433 1.00 0.91 H new ATOM 994 N GLU A 61 -9.404 8.943 -8.450 1.00 0.87 N ATOM 995 CA GLU A 61 -10.284 9.365 -9.573 1.00 0.91 C ATOM 996 C GLU A 61 -11.025 10.647 -9.180 1.00 0.96 C ATOM 997 O GLU A 61 -11.384 11.447 -10.022 1.00 1.00 O ATOM 998 CB GLU A 61 -11.296 8.258 -9.878 1.00 0.86 C ATOM 999 CG GLU A 61 -10.575 7.065 -10.511 1.00 0.82 C ATOM 1000 CD GLU A 61 -11.605 6.048 -11.005 1.00 0.77 C ATOM 1001 OE1 GLU A 61 -12.390 5.586 -10.193 1.00 0.77 O ATOM 1002 OE2 GLU A 61 -11.591 5.748 -12.188 1.00 0.74 O ATOM 0 H GLU A 61 -9.640 8.046 -8.026 1.00 0.87 H new ATOM 0 HA GLU A 61 -9.679 9.551 -10.461 1.00 0.91 H new ATOM 0 HB2 GLU A 61 -11.799 7.948 -8.962 1.00 0.86 H new ATOM 0 HB3 GLU A 61 -12.066 8.631 -10.553 1.00 0.86 H new ATOM 0 HG2 GLU A 61 -9.954 7.401 -11.341 1.00 0.82 H new ATOM 0 HG3 GLU A 61 -9.910 6.600 -9.783 1.00 0.82 H new ATOM 1009 N GLY A 62 -11.248 10.855 -7.902 1.00 0.95 N ATOM 1010 CA GLY A 62 -11.956 12.093 -7.448 1.00 1.01 C ATOM 1011 C GLY A 62 -13.418 11.780 -7.133 1.00 1.00 C ATOM 1012 O GLY A 62 -14.318 12.486 -7.544 1.00 1.03 O ATOM 0 H GLY A 62 -10.969 10.219 -7.155 1.00 0.95 H new ATOM 0 HA2 GLY A 62 -11.465 12.498 -6.563 1.00 1.01 H new ATOM 0 HA3 GLY A 62 -11.899 12.858 -8.222 1.00 1.01 H new ATOM 1016 N TYR A 63 -13.662 10.737 -6.396 1.00 0.96 N ATOM 1017 CA TYR A 63 -15.068 10.387 -6.039 1.00 0.95 C ATOM 1018 C TYR A 63 -15.064 9.483 -4.796 1.00 0.93 C ATOM 1019 O TYR A 63 -14.182 8.668 -4.609 1.00 0.89 O ATOM 1020 CB TYR A 63 -15.756 9.707 -7.252 1.00 0.91 C ATOM 1021 CG TYR A 63 -15.770 8.194 -7.120 1.00 0.95 C ATOM 1022 CD1 TYR A 63 -14.604 7.457 -7.357 1.00 0.94 C ATOM 1023 CD2 TYR A 63 -16.955 7.533 -6.769 1.00 0.99 C ATOM 1024 CE1 TYR A 63 -14.623 6.060 -7.242 1.00 0.98 C ATOM 1025 CE2 TYR A 63 -16.973 6.139 -6.655 1.00 1.03 C ATOM 1026 CZ TYR A 63 -15.808 5.402 -6.891 1.00 1.02 C ATOM 1027 OH TYR A 63 -15.827 4.027 -6.778 1.00 1.06 O ATOM 0 H TYR A 63 -12.950 10.109 -6.023 1.00 0.96 H new ATOM 0 HA TYR A 63 -15.637 11.285 -5.798 1.00 0.95 H new ATOM 0 HB2 TYR A 63 -16.779 10.073 -7.342 1.00 0.91 H new ATOM 0 HB3 TYR A 63 -15.236 9.987 -8.168 1.00 0.91 H new ATOM 0 HD1 TYR A 63 -13.690 7.964 -7.628 1.00 0.94 H new ATOM 0 HD2 TYR A 63 -17.855 8.101 -6.586 1.00 0.99 H new ATOM 0 HE1 TYR A 63 -13.723 5.491 -7.424 1.00 0.98 H new ATOM 0 HE2 TYR A 63 -17.887 5.631 -6.385 1.00 1.03 H new ATOM 0 HH TYR A 63 -16.727 3.732 -6.526 1.00 1.06 H new ATOM 1037 N PHE A 64 -16.038 9.638 -3.943 1.00 0.95 N ATOM 1038 CA PHE A 64 -16.093 8.811 -2.704 1.00 0.93 C ATOM 1039 C PHE A 64 -16.556 7.389 -3.035 1.00 0.86 C ATOM 1040 O PHE A 64 -17.377 7.177 -3.905 1.00 0.83 O ATOM 1041 CB PHE A 64 -17.072 9.456 -1.721 1.00 0.98 C ATOM 1042 CG PHE A 64 -17.150 8.624 -0.463 1.00 1.01 C ATOM 1043 CD1 PHE A 64 -16.119 8.686 0.482 1.00 0.98 C ATOM 1044 CD2 PHE A 64 -18.255 7.795 -0.241 1.00 1.07 C ATOM 1045 CE1 PHE A 64 -16.193 7.916 1.649 1.00 1.01 C ATOM 1046 CE2 PHE A 64 -18.329 7.026 0.925 1.00 1.10 C ATOM 1047 CZ PHE A 64 -17.298 7.086 1.871 1.00 1.07 C ATOM 0 H PHE A 64 -16.802 10.305 -4.051 1.00 0.95 H new ATOM 0 HA PHE A 64 -15.099 8.758 -2.260 1.00 0.93 H new ATOM 0 HB2 PHE A 64 -16.747 10.468 -1.480 1.00 0.98 H new ATOM 0 HB3 PHE A 64 -18.059 9.538 -2.176 1.00 0.98 H new ATOM 0 HD1 PHE A 64 -15.267 9.327 0.311 1.00 0.98 H new ATOM 0 HD2 PHE A 64 -19.051 7.749 -0.970 1.00 1.07 H new ATOM 0 HE1 PHE A 64 -15.397 7.962 2.378 1.00 1.01 H new ATOM 0 HE2 PHE A 64 -19.182 6.386 1.096 1.00 1.10 H new ATOM 0 HZ PHE A 64 -17.356 6.492 2.771 1.00 1.07 H new ATOM 1057 N VAL A 65 -16.032 6.412 -2.338 1.00 0.83 N ATOM 1058 CA VAL A 65 -16.432 4.996 -2.595 1.00 0.76 C ATOM 1059 C VAL A 65 -17.693 4.672 -1.753 1.00 0.76 C ATOM 1060 O VAL A 65 -17.660 4.859 -0.552 1.00 0.75 O ATOM 1061 CB VAL A 65 -15.276 4.076 -2.164 1.00 0.71 C ATOM 1062 CG1 VAL A 65 -15.745 2.618 -2.122 1.00 0.67 C ATOM 1063 CG2 VAL A 65 -14.129 4.207 -3.167 1.00 0.76 C ATOM 0 H VAL A 65 -15.341 6.536 -1.598 1.00 0.83 H new ATOM 0 HA VAL A 65 -16.650 4.846 -3.652 1.00 0.76 H new ATOM 0 HB VAL A 65 -14.940 4.370 -1.170 1.00 0.71 H new ATOM 0 HG11 VAL A 65 -14.917 1.978 -1.816 1.00 0.67 H new ATOM 0 HG12 VAL A 65 -16.563 2.519 -1.409 1.00 0.67 H new ATOM 0 HG13 VAL A 65 -16.089 2.318 -3.112 1.00 0.67 H new ATOM 0 HG21 VAL A 65 -13.307 3.557 -2.867 1.00 0.76 H new ATOM 0 HG22 VAL A 65 -14.477 3.917 -4.158 1.00 0.76 H new ATOM 0 HG23 VAL A 65 -13.784 5.241 -3.192 1.00 0.76 H new ATOM 1073 N PRO A 66 -18.775 4.198 -2.365 1.00 0.78 N ATOM 1074 CA PRO A 66 -19.993 3.877 -1.595 1.00 0.79 C ATOM 1075 C PRO A 66 -19.658 2.921 -0.439 1.00 0.72 C ATOM 1076 O PRO A 66 -18.524 2.524 -0.256 1.00 0.67 O ATOM 1077 CB PRO A 66 -20.959 3.228 -2.615 1.00 0.81 C ATOM 1078 CG PRO A 66 -20.305 3.359 -4.020 1.00 0.82 C ATOM 1079 CD PRO A 66 -18.889 3.946 -3.822 1.00 0.79 C ATOM 0 HA PRO A 66 -20.441 4.759 -1.136 1.00 0.79 H new ATOM 0 HB2 PRO A 66 -21.132 2.181 -2.368 1.00 0.81 H new ATOM 0 HB3 PRO A 66 -21.929 3.724 -2.595 1.00 0.81 H new ATOM 0 HG2 PRO A 66 -20.252 2.387 -4.510 1.00 0.82 H new ATOM 0 HG3 PRO A 66 -20.902 4.007 -4.662 1.00 0.82 H new ATOM 0 HD2 PRO A 66 -18.123 3.250 -4.163 1.00 0.79 H new ATOM 0 HD3 PRO A 66 -18.760 4.866 -4.392 1.00 0.79 H new ATOM 1087 N LEU A 67 -20.639 2.565 0.347 1.00 0.73 N ATOM 1088 CA LEU A 67 -20.396 1.655 1.499 1.00 0.68 C ATOM 1089 C LEU A 67 -20.526 0.194 1.054 1.00 0.65 C ATOM 1090 O LEU A 67 -19.987 -0.697 1.679 1.00 0.60 O ATOM 1091 CB LEU A 67 -21.439 1.950 2.582 1.00 0.72 C ATOM 1092 CG LEU A 67 -21.042 3.208 3.360 1.00 0.74 C ATOM 1093 CD1 LEU A 67 -21.018 4.412 2.416 1.00 0.85 C ATOM 1094 CD2 LEU A 67 -22.057 3.454 4.479 1.00 0.77 C ATOM 0 H LEU A 67 -21.606 2.870 0.237 1.00 0.73 H new ATOM 0 HA LEU A 67 -19.390 1.816 1.886 1.00 0.68 H new ATOM 0 HB2 LEU A 67 -22.420 2.088 2.127 1.00 0.72 H new ATOM 0 HB3 LEU A 67 -21.520 1.102 3.262 1.00 0.72 H new ATOM 0 HG LEU A 67 -20.050 3.070 3.791 1.00 0.74 H new ATOM 0 HD11 LEU A 67 -20.735 5.305 2.973 1.00 0.85 H new ATOM 0 HD12 LEU A 67 -20.294 4.236 1.620 1.00 0.85 H new ATOM 0 HD13 LEU A 67 -22.008 4.553 1.981 1.00 0.85 H new ATOM 0 HD21 LEU A 67 -21.777 4.349 5.034 1.00 0.77 H new ATOM 0 HD22 LEU A 67 -23.049 3.591 4.047 1.00 0.77 H new ATOM 0 HD23 LEU A 67 -22.070 2.598 5.153 1.00 0.77 H new ATOM 1106 N HIS A 68 -21.250 -0.059 -0.011 1.00 0.69 N ATOM 1107 CA HIS A 68 -21.436 -1.468 -0.493 1.00 0.68 C ATOM 1108 C HIS A 68 -20.792 -1.644 -1.866 1.00 0.68 C ATOM 1109 O HIS A 68 -21.023 -2.624 -2.545 1.00 0.72 O ATOM 1110 CB HIS A 68 -22.932 -1.767 -0.598 1.00 0.75 C ATOM 1111 CG HIS A 68 -23.569 -0.802 -1.560 1.00 0.81 C ATOM 1112 ND1 HIS A 68 -23.070 -0.593 -2.836 1.00 0.87 N ATOM 1113 CD2 HIS A 68 -24.666 0.017 -1.448 1.00 0.84 C ATOM 1114 CE1 HIS A 68 -23.858 0.319 -3.435 1.00 0.91 C ATOM 1115 NE2 HIS A 68 -24.846 0.724 -2.633 1.00 0.90 N ATOM 0 H HIS A 68 -21.722 0.652 -0.570 1.00 0.69 H new ATOM 0 HA HIS A 68 -20.965 -2.153 0.212 1.00 0.68 H new ATOM 0 HB2 HIS A 68 -23.086 -2.791 -0.938 1.00 0.75 H new ATOM 0 HB3 HIS A 68 -23.401 -1.682 0.383 1.00 0.75 H new ATOM 0 HD2 HIS A 68 -25.294 0.100 -0.573 1.00 0.84 H new ATOM 0 HE1 HIS A 68 -23.709 0.680 -4.442 1.00 0.91 H new ATOM 0 HE2 HIS A 68 -25.576 1.405 -2.844 1.00 0.90 H new ATOM 1123 N SER A 69 -19.976 -0.719 -2.280 1.00 0.66 N ATOM 1124 CA SER A 69 -19.319 -0.868 -3.604 1.00 0.67 C ATOM 1125 C SER A 69 -18.451 -2.111 -3.572 1.00 0.61 C ATOM 1126 O SER A 69 -18.395 -2.888 -4.504 1.00 0.63 O ATOM 1127 CB SER A 69 -18.445 0.361 -3.889 1.00 0.69 C ATOM 1128 OG SER A 69 -18.663 0.790 -5.227 1.00 0.69 O ATOM 0 H SER A 69 -19.737 0.127 -1.763 1.00 0.66 H new ATOM 0 HA SER A 69 -20.073 -0.956 -4.387 1.00 0.67 H new ATOM 0 HB2 SER A 69 -18.688 1.164 -3.193 1.00 0.69 H new ATOM 0 HB3 SER A 69 -17.393 0.117 -3.740 1.00 0.69 H new ATOM 0 HG SER A 69 -17.999 1.470 -5.465 1.00 0.69 H new ATOM 1134 N PHE A 70 -17.763 -2.270 -2.489 1.00 0.56 N ATOM 1135 CA PHE A 70 -16.844 -3.435 -2.316 1.00 0.51 C ATOM 1136 C PHE A 70 -17.422 -4.443 -1.320 1.00 0.50 C ATOM 1137 O PHE A 70 -18.500 -4.972 -1.505 1.00 0.56 O ATOM 1138 CB PHE A 70 -15.469 -2.956 -1.824 1.00 0.48 C ATOM 1139 CG PHE A 70 -15.538 -2.064 -0.581 1.00 0.49 C ATOM 1140 CD1 PHE A 70 -16.736 -1.817 0.136 1.00 0.52 C ATOM 1141 CD2 PHE A 70 -14.350 -1.464 -0.148 1.00 0.49 C ATOM 1142 CE1 PHE A 70 -16.716 -0.982 1.260 1.00 0.55 C ATOM 1143 CE2 PHE A 70 -14.341 -0.630 0.974 1.00 0.51 C ATOM 1144 CZ PHE A 70 -15.523 -0.390 1.678 1.00 0.54 C ATOM 0 H PHE A 70 -17.793 -1.632 -1.693 1.00 0.56 H new ATOM 0 HA PHE A 70 -16.733 -3.925 -3.283 1.00 0.51 H new ATOM 0 HB2 PHE A 70 -14.849 -3.825 -1.603 1.00 0.48 H new ATOM 0 HB3 PHE A 70 -14.976 -2.408 -2.627 1.00 0.48 H new ATOM 0 HD1 PHE A 70 -17.662 -2.272 -0.184 1.00 0.52 H new ATOM 0 HD2 PHE A 70 -13.431 -1.647 -0.686 1.00 0.49 H new ATOM 0 HE1 PHE A 70 -17.629 -0.795 1.806 1.00 0.55 H new ATOM 0 HE2 PHE A 70 -13.418 -0.171 1.297 1.00 0.51 H new ATOM 0 HZ PHE A 70 -15.514 0.253 2.545 1.00 0.54 H new ATOM 1154 N PHE A 71 -16.701 -4.699 -0.258 1.00 0.45 N ATOM 1155 CA PHE A 71 -17.176 -5.665 0.786 1.00 0.45 C ATOM 1156 C PHE A 71 -17.538 -4.882 2.056 1.00 0.50 C ATOM 1157 O PHE A 71 -16.956 -3.856 2.351 1.00 0.51 O ATOM 1158 CB PHE A 71 -16.046 -6.679 1.090 1.00 0.41 C ATOM 1159 CG PHE A 71 -16.291 -7.980 0.347 1.00 0.40 C ATOM 1160 CD1 PHE A 71 -16.528 -7.962 -1.033 1.00 0.43 C ATOM 1161 CD2 PHE A 71 -16.282 -9.201 1.038 1.00 0.41 C ATOM 1162 CE1 PHE A 71 -16.756 -9.161 -1.721 1.00 0.46 C ATOM 1163 CE2 PHE A 71 -16.509 -10.398 0.350 1.00 0.44 C ATOM 1164 CZ PHE A 71 -16.746 -10.378 -1.030 1.00 0.46 C ATOM 0 H PHE A 71 -15.793 -4.276 -0.065 1.00 0.45 H new ATOM 0 HA PHE A 71 -18.054 -6.206 0.432 1.00 0.45 H new ATOM 0 HB2 PHE A 71 -15.084 -6.260 0.796 1.00 0.41 H new ATOM 0 HB3 PHE A 71 -15.997 -6.868 2.162 1.00 0.41 H new ATOM 0 HD1 PHE A 71 -16.535 -7.023 -1.567 1.00 0.43 H new ATOM 0 HD2 PHE A 71 -16.100 -9.217 2.102 1.00 0.41 H new ATOM 0 HE1 PHE A 71 -16.940 -9.146 -2.785 1.00 0.46 H new ATOM 0 HE2 PHE A 71 -16.501 -11.337 0.883 1.00 0.44 H new ATOM 0 HZ PHE A 71 -16.921 -11.302 -1.561 1.00 0.46 H new ATOM 1174 N LEU A 72 -18.490 -5.362 2.810 1.00 0.54 N ATOM 1175 CA LEU A 72 -18.880 -4.649 4.059 1.00 0.59 C ATOM 1176 C LEU A 72 -17.640 -4.449 4.928 1.00 0.57 C ATOM 1177 O LEU A 72 -17.073 -3.376 4.984 1.00 0.59 O ATOM 1178 CB LEU A 72 -19.912 -5.484 4.826 1.00 0.64 C ATOM 1179 CG LEU A 72 -21.102 -5.811 3.916 1.00 0.66 C ATOM 1180 CD1 LEU A 72 -22.001 -6.838 4.611 1.00 0.72 C ATOM 1181 CD2 LEU A 72 -21.911 -4.538 3.626 1.00 0.71 C ATOM 0 H LEU A 72 -19.013 -6.216 2.615 1.00 0.54 H new ATOM 0 HA LEU A 72 -19.314 -3.681 3.808 1.00 0.59 H new ATOM 0 HB2 LEU A 72 -19.453 -6.406 5.184 1.00 0.64 H new ATOM 0 HB3 LEU A 72 -20.255 -4.937 5.704 1.00 0.64 H new ATOM 0 HG LEU A 72 -20.732 -6.218 2.975 1.00 0.66 H new ATOM 0 HD11 LEU A 72 -22.849 -7.074 3.968 1.00 0.72 H new ATOM 0 HD12 LEU A 72 -21.431 -7.746 4.808 1.00 0.72 H new ATOM 0 HD13 LEU A 72 -22.364 -6.426 5.553 1.00 0.72 H new ATOM 0 HD21 LEU A 72 -22.754 -4.782 2.979 1.00 0.71 H new ATOM 0 HD22 LEU A 72 -22.281 -4.121 4.563 1.00 0.71 H new ATOM 0 HD23 LEU A 72 -21.273 -3.806 3.130 1.00 0.71 H new ATOM 1193 N THR A 73 -17.214 -5.478 5.601 1.00 0.53 N ATOM 1194 CA THR A 73 -16.005 -5.363 6.466 1.00 0.52 C ATOM 1195 C THR A 73 -15.437 -6.778 6.728 1.00 0.44 C ATOM 1196 O THR A 73 -16.195 -7.661 7.079 1.00 0.43 O ATOM 1197 CB THR A 73 -16.402 -4.728 7.803 1.00 0.59 C ATOM 1198 OG1 THR A 73 -15.258 -4.647 8.641 1.00 0.59 O ATOM 1199 CG2 THR A 73 -17.476 -5.581 8.483 1.00 0.61 C ATOM 0 H THR A 73 -17.652 -6.399 5.591 1.00 0.53 H new ATOM 0 HA THR A 73 -15.254 -4.746 5.973 1.00 0.52 H new ATOM 0 HB THR A 73 -16.799 -3.728 7.626 1.00 0.59 H new ATOM 0 HG1 THR A 73 -15.508 -4.240 9.497 1.00 0.59 H new ATOM 0 HG21 THR A 73 -17.755 -5.125 9.433 1.00 0.61 H new ATOM 0 HG22 THR A 73 -18.353 -5.643 7.839 1.00 0.61 H new ATOM 0 HG23 THR A 73 -17.086 -6.583 8.662 1.00 0.61 H new ATOM 1207 N PRO A 74 -14.136 -6.986 6.566 1.00 0.42 N ATOM 1208 CA PRO A 74 -13.547 -8.317 6.811 1.00 0.35 C ATOM 1209 C PRO A 74 -13.911 -8.800 8.219 1.00 0.35 C ATOM 1210 O PRO A 74 -13.913 -8.037 9.165 1.00 0.40 O ATOM 1211 CB PRO A 74 -12.019 -8.117 6.664 1.00 0.37 C ATOM 1212 CG PRO A 74 -11.792 -6.672 6.139 1.00 0.45 C ATOM 1213 CD PRO A 74 -13.162 -5.957 6.138 1.00 0.47 C ATOM 0 HA PRO A 74 -13.917 -9.072 6.117 1.00 0.35 H new ATOM 0 HB2 PRO A 74 -11.518 -8.261 7.621 1.00 0.37 H new ATOM 0 HB3 PRO A 74 -11.600 -8.848 5.972 1.00 0.37 H new ATOM 0 HG2 PRO A 74 -11.083 -6.141 6.774 1.00 0.45 H new ATOM 0 HG3 PRO A 74 -11.369 -6.691 5.135 1.00 0.45 H new ATOM 0 HD2 PRO A 74 -13.163 -5.106 6.819 1.00 0.47 H new ATOM 0 HD3 PRO A 74 -13.405 -5.572 5.147 1.00 0.47 H new ATOM 1221 N ASP A 75 -14.205 -10.068 8.362 1.00 0.34 N ATOM 1222 CA ASP A 75 -14.556 -10.627 9.704 1.00 0.38 C ATOM 1223 C ASP A 75 -13.378 -11.474 10.184 1.00 0.36 C ATOM 1224 O ASP A 75 -13.029 -11.471 11.348 1.00 0.36 O ATOM 1225 CB ASP A 75 -15.830 -11.497 9.572 1.00 0.46 C ATOM 1226 CG ASP A 75 -16.833 -11.160 10.685 1.00 0.82 C ATOM 1227 OD1 ASP A 75 -16.392 -10.836 11.775 1.00 0.82 O ATOM 1228 OD2 ASP A 75 -18.022 -11.232 10.424 1.00 1.34 O ATOM 0 H ASP A 75 -14.217 -10.746 7.600 1.00 0.34 H new ATOM 0 HA ASP A 75 -14.752 -9.830 10.422 1.00 0.38 H new ATOM 0 HB2 ASP A 75 -16.290 -11.332 8.598 1.00 0.46 H new ATOM 0 HB3 ASP A 75 -15.563 -12.553 9.623 1.00 0.46 H new ATOM 1233 N SER A 76 -12.766 -12.200 9.282 1.00 0.38 N ATOM 1234 CA SER A 76 -11.604 -13.061 9.651 1.00 0.41 C ATOM 1235 C SER A 76 -10.455 -12.830 8.672 1.00 0.39 C ATOM 1236 O SER A 76 -10.471 -11.921 7.865 1.00 0.37 O ATOM 1237 CB SER A 76 -12.021 -14.528 9.606 1.00 0.51 C ATOM 1238 OG SER A 76 -12.761 -14.776 8.421 1.00 0.54 O ATOM 0 H SER A 76 -13.026 -12.232 8.296 1.00 0.38 H new ATOM 0 HA SER A 76 -11.275 -12.805 10.658 1.00 0.41 H new ATOM 0 HB2 SER A 76 -11.139 -15.168 9.637 1.00 0.51 H new ATOM 0 HB3 SER A 76 -12.623 -14.772 10.481 1.00 0.51 H new ATOM 0 HG SER A 76 -13.027 -15.719 8.393 1.00 0.54 H new ATOM 1244 N PHE A 77 -9.450 -13.644 8.767 1.00 0.42 N ATOM 1245 CA PHE A 77 -8.259 -13.503 7.885 1.00 0.44 C ATOM 1246 C PHE A 77 -8.626 -13.718 6.441 1.00 0.48 C ATOM 1247 O PHE A 77 -8.425 -12.871 5.618 1.00 0.49 O ATOM 1248 CB PHE A 77 -7.234 -14.558 8.302 1.00 0.50 C ATOM 1249 CG PHE A 77 -6.023 -14.556 7.382 1.00 0.59 C ATOM 1250 CD1 PHE A 77 -5.317 -13.369 7.128 1.00 0.63 C ATOM 1251 CD2 PHE A 77 -5.593 -15.758 6.797 1.00 0.74 C ATOM 1252 CE1 PHE A 77 -4.188 -13.388 6.292 1.00 0.80 C ATOM 1253 CE2 PHE A 77 -4.471 -15.772 5.963 1.00 0.87 C ATOM 1254 CZ PHE A 77 -3.769 -14.590 5.712 1.00 0.90 C ATOM 0 H PHE A 77 -9.399 -14.417 9.430 1.00 0.42 H new ATOM 0 HA PHE A 77 -7.854 -12.496 7.987 1.00 0.44 H new ATOM 0 HB2 PHE A 77 -6.914 -14.370 9.327 1.00 0.50 H new ATOM 0 HB3 PHE A 77 -7.700 -15.543 8.290 1.00 0.50 H new ATOM 0 HD1 PHE A 77 -5.642 -12.441 7.575 1.00 0.63 H new ATOM 0 HD2 PHE A 77 -6.131 -16.674 6.992 1.00 0.74 H new ATOM 0 HE1 PHE A 77 -3.644 -12.475 6.097 1.00 0.80 H new ATOM 0 HE2 PHE A 77 -4.146 -16.698 5.512 1.00 0.87 H new ATOM 0 HZ PHE A 77 -2.901 -14.605 5.069 1.00 0.90 H new ATOM 1264 N GLU A 78 -9.151 -14.843 6.131 1.00 0.51 N ATOM 1265 CA GLU A 78 -9.521 -15.130 4.716 1.00 0.56 C ATOM 1266 C GLU A 78 -10.280 -13.938 4.129 1.00 0.53 C ATOM 1267 O GLU A 78 -10.069 -13.555 2.998 1.00 0.59 O ATOM 1268 CB GLU A 78 -10.393 -16.409 4.681 1.00 0.63 C ATOM 1269 CG GLU A 78 -9.765 -17.465 3.763 1.00 1.05 C ATOM 1270 CD GLU A 78 -10.642 -18.717 3.752 1.00 1.14 C ATOM 1271 OE1 GLU A 78 -11.810 -18.601 4.085 1.00 1.45 O ATOM 1272 OE2 GLU A 78 -10.132 -19.772 3.411 1.00 1.04 O ATOM 0 H GLU A 78 -9.348 -15.595 6.792 1.00 0.51 H new ATOM 0 HA GLU A 78 -8.625 -15.291 4.116 1.00 0.56 H new ATOM 0 HB2 GLU A 78 -10.499 -16.811 5.688 1.00 0.63 H new ATOM 0 HB3 GLU A 78 -11.395 -16.163 4.329 1.00 0.63 H new ATOM 0 HG2 GLU A 78 -9.664 -17.070 2.752 1.00 1.05 H new ATOM 0 HG3 GLU A 78 -8.762 -17.714 4.110 1.00 1.05 H new ATOM 1279 N GLN A 79 -11.152 -13.351 4.886 1.00 0.46 N ATOM 1280 CA GLN A 79 -11.920 -12.204 4.387 1.00 0.45 C ATOM 1281 C GLN A 79 -10.986 -11.025 4.127 1.00 0.40 C ATOM 1282 O GLN A 79 -11.217 -10.224 3.243 1.00 0.41 O ATOM 1283 CB GLN A 79 -12.948 -11.884 5.456 1.00 0.49 C ATOM 1284 CG GLN A 79 -13.712 -13.169 5.779 1.00 0.49 C ATOM 1285 CD GLN A 79 -14.935 -12.845 6.633 1.00 0.46 C ATOM 1286 OE1 GLN A 79 -15.554 -11.815 6.458 1.00 0.47 O ATOM 1287 NE2 GLN A 79 -15.316 -13.690 7.550 1.00 0.45 N ATOM 0 H GLN A 79 -11.364 -13.627 5.845 1.00 0.46 H new ATOM 0 HA GLN A 79 -12.415 -12.422 3.441 1.00 0.45 H new ATOM 0 HB2 GLN A 79 -12.460 -11.496 6.350 1.00 0.49 H new ATOM 0 HB3 GLN A 79 -13.633 -11.111 5.107 1.00 0.49 H new ATOM 0 HG2 GLN A 79 -14.022 -13.660 4.856 1.00 0.49 H new ATOM 0 HG3 GLN A 79 -13.062 -13.866 6.308 1.00 0.49 H new ATOM 0 HE21 GLN A 79 -14.795 -14.555 7.695 1.00 0.45 H new ATOM 0 HE22 GLN A 79 -16.136 -13.487 8.122 1.00 0.45 H new ATOM 1296 N LYS A 80 -9.916 -10.927 4.861 1.00 0.39 N ATOM 1297 CA LYS A 80 -8.959 -9.818 4.617 1.00 0.38 C ATOM 1298 C LYS A 80 -8.132 -10.179 3.384 1.00 0.39 C ATOM 1299 O LYS A 80 -8.001 -9.407 2.454 1.00 0.40 O ATOM 1300 CB LYS A 80 -8.036 -9.659 5.828 1.00 0.41 C ATOM 1301 CG LYS A 80 -8.820 -9.055 6.995 1.00 0.50 C ATOM 1302 CD LYS A 80 -7.944 -9.049 8.249 1.00 0.51 C ATOM 1303 CE LYS A 80 -8.763 -8.558 9.444 1.00 0.51 C ATOM 1304 NZ LYS A 80 -8.001 -8.802 10.701 1.00 1.03 N ATOM 0 H LYS A 80 -9.664 -11.564 5.616 1.00 0.39 H new ATOM 0 HA LYS A 80 -9.492 -8.880 4.459 1.00 0.38 H new ATOM 0 HB2 LYS A 80 -7.626 -10.627 6.115 1.00 0.41 H new ATOM 0 HB3 LYS A 80 -7.192 -9.018 5.573 1.00 0.41 H new ATOM 0 HG2 LYS A 80 -9.131 -8.039 6.751 1.00 0.50 H new ATOM 0 HG3 LYS A 80 -9.727 -9.632 7.175 1.00 0.50 H new ATOM 0 HD2 LYS A 80 -7.563 -10.052 8.444 1.00 0.51 H new ATOM 0 HD3 LYS A 80 -7.079 -8.403 8.098 1.00 0.51 H new ATOM 0 HE2 LYS A 80 -8.980 -7.495 9.338 1.00 0.51 H new ATOM 0 HE3 LYS A 80 -9.721 -9.077 9.480 1.00 0.51 H new ATOM 0 HZ1 LYS A 80 -8.557 -8.469 11.514 1.00 1.03 H new ATOM 0 HZ2 LYS A 80 -7.816 -9.820 10.802 1.00 1.03 H new ATOM 0 HZ3 LYS A 80 -7.098 -8.288 10.665 1.00 1.03 H new ATOM 1318 N VAL A 81 -7.583 -11.365 3.374 1.00 0.44 N ATOM 1319 CA VAL A 81 -6.771 -11.819 2.213 1.00 0.47 C ATOM 1320 C VAL A 81 -7.584 -11.631 0.939 1.00 0.45 C ATOM 1321 O VAL A 81 -7.045 -11.484 -0.137 1.00 0.46 O ATOM 1322 CB VAL A 81 -6.436 -13.304 2.377 1.00 0.54 C ATOM 1323 CG1 VAL A 81 -5.496 -13.752 1.257 1.00 0.60 C ATOM 1324 CG2 VAL A 81 -5.755 -13.532 3.726 1.00 0.56 C ATOM 0 H VAL A 81 -7.665 -12.044 4.131 1.00 0.44 H new ATOM 0 HA VAL A 81 -5.849 -11.240 2.158 1.00 0.47 H new ATOM 0 HB VAL A 81 -7.359 -13.883 2.330 1.00 0.54 H new ATOM 0 HG11 VAL A 81 -5.262 -14.809 1.380 1.00 0.60 H new ATOM 0 HG12 VAL A 81 -5.979 -13.597 0.292 1.00 0.60 H new ATOM 0 HG13 VAL A 81 -4.576 -13.169 1.299 1.00 0.60 H new ATOM 0 HG21 VAL A 81 -5.518 -14.590 3.840 1.00 0.56 H new ATOM 0 HG22 VAL A 81 -4.836 -12.947 3.773 1.00 0.56 H new ATOM 0 HG23 VAL A 81 -6.424 -13.222 4.528 1.00 0.56 H new ATOM 1334 N LEU A 82 -8.884 -11.649 1.051 1.00 0.44 N ATOM 1335 CA LEU A 82 -9.738 -11.481 -0.159 1.00 0.44 C ATOM 1336 C LEU A 82 -9.887 -10.006 -0.478 1.00 0.38 C ATOM 1337 O LEU A 82 -9.888 -9.612 -1.622 1.00 0.38 O ATOM 1338 CB LEU A 82 -11.117 -12.098 0.094 1.00 0.47 C ATOM 1339 CG LEU A 82 -11.900 -12.203 -1.226 1.00 0.49 C ATOM 1340 CD1 LEU A 82 -11.335 -13.332 -2.109 1.00 0.53 C ATOM 1341 CD2 LEU A 82 -13.374 -12.486 -0.908 1.00 0.54 C ATOM 0 H LEU A 82 -9.391 -11.773 1.927 1.00 0.44 H new ATOM 0 HA LEU A 82 -9.269 -11.985 -1.004 1.00 0.44 H new ATOM 0 HB2 LEU A 82 -11.005 -13.087 0.539 1.00 0.47 H new ATOM 0 HB3 LEU A 82 -11.672 -11.488 0.807 1.00 0.47 H new ATOM 0 HG LEU A 82 -11.806 -11.264 -1.771 1.00 0.49 H new ATOM 0 HD11 LEU A 82 -11.904 -13.388 -3.037 1.00 0.53 H new ATOM 0 HD12 LEU A 82 -10.289 -13.127 -2.337 1.00 0.53 H new ATOM 0 HD13 LEU A 82 -11.412 -14.281 -1.579 1.00 0.53 H new ATOM 0 HD21 LEU A 82 -13.939 -12.562 -1.837 1.00 0.54 H new ATOM 0 HD22 LEU A 82 -13.454 -13.423 -0.357 1.00 0.54 H new ATOM 0 HD23 LEU A 82 -13.778 -11.674 -0.304 1.00 0.54 H new ATOM 1353 N ASN A 83 -10.004 -9.183 0.511 1.00 0.35 N ATOM 1354 CA ASN A 83 -10.134 -7.738 0.227 1.00 0.32 C ATOM 1355 C ASN A 83 -8.841 -7.273 -0.452 1.00 0.31 C ATOM 1356 O ASN A 83 -8.839 -6.355 -1.249 1.00 0.30 O ATOM 1357 CB ASN A 83 -10.357 -6.974 1.555 1.00 0.31 C ATOM 1358 CG ASN A 83 -11.471 -5.936 1.388 1.00 0.33 C ATOM 1359 OD1 ASN A 83 -11.226 -4.747 1.425 1.00 0.35 O ATOM 1360 ND2 ASN A 83 -12.693 -6.347 1.203 1.00 0.36 N ATOM 0 H ASN A 83 -10.016 -9.443 1.497 1.00 0.35 H new ATOM 0 HA ASN A 83 -10.984 -7.543 -0.428 1.00 0.32 H new ATOM 0 HB2 ASN A 83 -10.619 -7.676 2.347 1.00 0.31 H new ATOM 0 HB3 ASN A 83 -9.433 -6.481 1.859 1.00 0.31 H new ATOM 0 HD21 ASN A 83 -13.447 -5.670 1.089 1.00 0.36 H new ATOM 0 HD22 ASN A 83 -12.896 -7.346 1.172 1.00 0.36 H new ATOM 1367 N VAL A 84 -7.738 -7.914 -0.153 1.00 0.34 N ATOM 1368 CA VAL A 84 -6.451 -7.493 -0.791 1.00 0.37 C ATOM 1369 C VAL A 84 -6.293 -8.176 -2.131 1.00 0.39 C ATOM 1370 O VAL A 84 -5.855 -7.580 -3.080 1.00 0.41 O ATOM 1371 CB VAL A 84 -5.245 -7.835 0.091 1.00 0.41 C ATOM 1372 CG1 VAL A 84 -3.974 -7.360 -0.621 1.00 0.47 C ATOM 1373 CG2 VAL A 84 -5.380 -7.120 1.443 1.00 0.40 C ATOM 0 H VAL A 84 -7.672 -8.699 0.495 1.00 0.34 H new ATOM 0 HA VAL A 84 -6.487 -6.411 -0.922 1.00 0.37 H new ATOM 0 HB VAL A 84 -5.196 -8.910 0.263 1.00 0.41 H new ATOM 0 HG11 VAL A 84 -3.104 -7.595 -0.008 1.00 0.47 H new ATOM 0 HG12 VAL A 84 -3.886 -7.864 -1.584 1.00 0.47 H new ATOM 0 HG13 VAL A 84 -4.026 -6.283 -0.779 1.00 0.47 H new ATOM 0 HG21 VAL A 84 -4.522 -7.363 2.070 1.00 0.40 H new ATOM 0 HG22 VAL A 84 -5.418 -6.043 1.283 1.00 0.40 H new ATOM 0 HG23 VAL A 84 -6.295 -7.446 1.937 1.00 0.40 H new ATOM 1383 N SER A 85 -6.645 -9.415 -2.226 1.00 0.41 N ATOM 1384 CA SER A 85 -6.510 -10.105 -3.529 1.00 0.46 C ATOM 1385 C SER A 85 -7.407 -9.390 -4.535 1.00 0.42 C ATOM 1386 O SER A 85 -7.173 -9.390 -5.722 1.00 0.45 O ATOM 1387 CB SER A 85 -6.953 -11.561 -3.385 1.00 0.50 C ATOM 1388 OG SER A 85 -6.621 -12.273 -4.570 1.00 0.53 O ATOM 0 H SER A 85 -7.019 -9.981 -1.464 1.00 0.41 H new ATOM 0 HA SER A 85 -5.474 -10.086 -3.866 1.00 0.46 H new ATOM 0 HB2 SER A 85 -6.465 -12.018 -2.524 1.00 0.50 H new ATOM 0 HB3 SER A 85 -8.027 -11.610 -3.206 1.00 0.50 H new ATOM 0 HG SER A 85 -6.903 -13.207 -4.480 1.00 0.53 H new ATOM 1394 N PHE A 86 -8.437 -8.776 -4.048 1.00 0.38 N ATOM 1395 CA PHE A 86 -9.387 -8.060 -4.933 1.00 0.36 C ATOM 1396 C PHE A 86 -8.769 -6.748 -5.402 1.00 0.34 C ATOM 1397 O PHE A 86 -8.637 -6.484 -6.577 1.00 0.35 O ATOM 1398 CB PHE A 86 -10.659 -7.783 -4.131 1.00 0.35 C ATOM 1399 CG PHE A 86 -11.531 -6.740 -4.801 1.00 0.32 C ATOM 1400 CD1 PHE A 86 -11.590 -6.646 -6.197 1.00 0.31 C ATOM 1401 CD2 PHE A 86 -12.295 -5.874 -4.011 1.00 0.32 C ATOM 1402 CE1 PHE A 86 -12.412 -5.687 -6.799 1.00 0.31 C ATOM 1403 CE2 PHE A 86 -13.114 -4.913 -4.613 1.00 0.32 C ATOM 1404 CZ PHE A 86 -13.174 -4.820 -6.007 1.00 0.32 C ATOM 0 H PHE A 86 -8.667 -8.738 -3.055 1.00 0.38 H new ATOM 0 HA PHE A 86 -9.618 -8.663 -5.811 1.00 0.36 H new ATOM 0 HB2 PHE A 86 -11.224 -8.708 -4.014 1.00 0.35 H new ATOM 0 HB3 PHE A 86 -10.391 -7.444 -3.130 1.00 0.35 H new ATOM 0 HD1 PHE A 86 -11.001 -7.313 -6.809 1.00 0.31 H new ATOM 0 HD2 PHE A 86 -12.252 -5.948 -2.934 1.00 0.32 H new ATOM 0 HE1 PHE A 86 -12.459 -5.616 -7.876 1.00 0.31 H new ATOM 0 HE2 PHE A 86 -13.700 -4.243 -4.001 1.00 0.32 H new ATOM 0 HZ PHE A 86 -13.808 -4.080 -6.472 1.00 0.32 H new ATOM 1414 N ALA A 87 -8.380 -5.921 -4.493 1.00 0.32 N ATOM 1415 CA ALA A 87 -7.759 -4.638 -4.907 1.00 0.33 C ATOM 1416 C ALA A 87 -6.577 -4.976 -5.806 1.00 0.38 C ATOM 1417 O ALA A 87 -6.264 -4.275 -6.746 1.00 0.39 O ATOM 1418 CB ALA A 87 -7.265 -3.880 -3.676 1.00 0.35 C ATOM 0 H ALA A 87 -8.461 -6.069 -3.487 1.00 0.32 H new ATOM 0 HA ALA A 87 -8.481 -4.012 -5.431 1.00 0.33 H new ATOM 0 HB1 ALA A 87 -6.810 -2.939 -3.986 1.00 0.35 H new ATOM 0 HB2 ALA A 87 -8.106 -3.675 -3.013 1.00 0.35 H new ATOM 0 HB3 ALA A 87 -6.526 -4.484 -3.149 1.00 0.35 H new ATOM 1424 N PHE A 88 -5.946 -6.081 -5.524 1.00 0.41 N ATOM 1425 CA PHE A 88 -4.797 -6.534 -6.325 1.00 0.48 C ATOM 1426 C PHE A 88 -5.320 -7.034 -7.653 1.00 0.48 C ATOM 1427 O PHE A 88 -4.591 -7.168 -8.601 1.00 0.53 O ATOM 1428 CB PHE A 88 -4.103 -7.674 -5.581 1.00 0.52 C ATOM 1429 CG PHE A 88 -3.103 -8.360 -6.484 1.00 0.59 C ATOM 1430 CD1 PHE A 88 -3.554 -9.267 -7.447 1.00 0.61 C ATOM 1431 CD2 PHE A 88 -1.735 -8.094 -6.358 1.00 0.66 C ATOM 1432 CE1 PHE A 88 -2.641 -9.909 -8.288 1.00 0.69 C ATOM 1433 CE2 PHE A 88 -0.819 -8.738 -7.200 1.00 0.73 C ATOM 1434 CZ PHE A 88 -1.274 -9.645 -8.165 1.00 0.74 C ATOM 0 H PHE A 88 -6.192 -6.698 -4.750 1.00 0.41 H new ATOM 0 HA PHE A 88 -4.088 -5.722 -6.486 1.00 0.48 H new ATOM 0 HB2 PHE A 88 -3.598 -7.285 -4.697 1.00 0.52 H new ATOM 0 HB3 PHE A 88 -4.844 -8.395 -5.234 1.00 0.52 H new ATOM 0 HD1 PHE A 88 -4.610 -9.472 -7.541 1.00 0.61 H new ATOM 0 HD2 PHE A 88 -1.386 -7.394 -5.613 1.00 0.66 H new ATOM 0 HE1 PHE A 88 -2.991 -10.609 -9.032 1.00 0.69 H new ATOM 0 HE2 PHE A 88 0.237 -8.535 -7.105 1.00 0.73 H new ATOM 0 HZ PHE A 88 -0.568 -10.141 -8.815 1.00 0.74 H new ATOM 1444 N GLU A 89 -6.576 -7.360 -7.718 1.00 0.44 N ATOM 1445 CA GLU A 89 -7.124 -7.885 -9.003 1.00 0.46 C ATOM 1446 C GLU A 89 -7.425 -6.710 -9.935 1.00 0.43 C ATOM 1447 O GLU A 89 -7.042 -6.705 -11.095 1.00 0.47 O ATOM 1448 CB GLU A 89 -8.397 -8.704 -8.711 1.00 0.46 C ATOM 1449 CG GLU A 89 -8.020 -10.169 -8.464 1.00 0.51 C ATOM 1450 CD GLU A 89 -7.817 -10.887 -9.800 1.00 0.58 C ATOM 1451 OE1 GLU A 89 -8.746 -10.898 -10.591 1.00 0.60 O ATOM 1452 OE2 GLU A 89 -6.737 -11.413 -10.010 1.00 0.63 O ATOM 0 H GLU A 89 -7.243 -7.289 -6.950 1.00 0.44 H new ATOM 0 HA GLU A 89 -6.399 -8.536 -9.491 1.00 0.46 H new ATOM 0 HB2 GLU A 89 -8.911 -8.298 -7.840 1.00 0.46 H new ATOM 0 HB3 GLU A 89 -9.088 -8.632 -9.551 1.00 0.46 H new ATOM 0 HG2 GLU A 89 -7.108 -10.224 -7.870 1.00 0.51 H new ATOM 0 HG3 GLU A 89 -8.804 -10.664 -7.891 1.00 0.51 H new ATOM 1459 N LEU A 90 -8.073 -5.697 -9.441 1.00 0.38 N ATOM 1460 CA LEU A 90 -8.361 -4.530 -10.311 1.00 0.37 C ATOM 1461 C LEU A 90 -7.060 -3.778 -10.541 1.00 0.41 C ATOM 1462 O LEU A 90 -6.944 -2.986 -11.454 1.00 0.42 O ATOM 1463 CB LEU A 90 -9.381 -3.603 -9.636 1.00 0.34 C ATOM 1464 CG LEU A 90 -10.803 -4.161 -9.804 1.00 0.33 C ATOM 1465 CD1 LEU A 90 -11.763 -3.337 -8.938 1.00 0.33 C ATOM 1466 CD2 LEU A 90 -11.246 -4.092 -11.285 1.00 0.36 C ATOM 0 H LEU A 90 -8.413 -5.626 -8.482 1.00 0.38 H new ATOM 0 HA LEU A 90 -8.779 -4.868 -11.259 1.00 0.37 H new ATOM 0 HB2 LEU A 90 -9.146 -3.502 -8.577 1.00 0.34 H new ATOM 0 HB3 LEU A 90 -9.321 -2.606 -10.072 1.00 0.34 H new ATOM 0 HG LEU A 90 -10.817 -5.205 -9.491 1.00 0.33 H new ATOM 0 HD11 LEU A 90 -12.776 -3.724 -9.049 1.00 0.33 H new ATOM 0 HD12 LEU A 90 -11.461 -3.406 -7.893 1.00 0.33 H new ATOM 0 HD13 LEU A 90 -11.736 -2.295 -9.256 1.00 0.33 H new ATOM 0 HD21 LEU A 90 -12.255 -4.492 -11.382 1.00 0.36 H new ATOM 0 HD22 LEU A 90 -11.233 -3.055 -11.621 1.00 0.36 H new ATOM 0 HD23 LEU A 90 -10.562 -4.680 -11.897 1.00 0.36 H new ATOM 1478 N MET A 91 -6.065 -4.026 -9.732 1.00 0.43 N ATOM 1479 CA MET A 91 -4.777 -3.321 -9.926 1.00 0.49 C ATOM 1480 C MET A 91 -3.943 -4.136 -10.911 1.00 0.54 C ATOM 1481 O MET A 91 -3.369 -3.607 -11.842 1.00 0.58 O ATOM 1482 CB MET A 91 -4.082 -3.183 -8.566 1.00 0.52 C ATOM 1483 CG MET A 91 -2.576 -3.056 -8.750 1.00 0.48 C ATOM 1484 SD MET A 91 -1.840 -2.305 -7.276 1.00 0.55 S ATOM 1485 CE MET A 91 -2.302 -3.599 -6.098 1.00 0.60 C ATOM 0 H MET A 91 -6.093 -4.683 -8.952 1.00 0.43 H new ATOM 0 HA MET A 91 -4.919 -2.319 -10.332 1.00 0.49 H new ATOM 0 HB2 MET A 91 -4.466 -2.308 -8.042 1.00 0.52 H new ATOM 0 HB3 MET A 91 -4.307 -4.051 -7.946 1.00 0.52 H new ATOM 0 HG2 MET A 91 -2.138 -4.038 -8.926 1.00 0.48 H new ATOM 0 HG3 MET A 91 -2.358 -2.447 -9.627 1.00 0.48 H new ATOM 0 HE1 MET A 91 -1.714 -3.489 -5.187 1.00 0.60 H new ATOM 0 HE2 MET A 91 -3.362 -3.511 -5.858 1.00 0.60 H new ATOM 0 HE3 MET A 91 -2.109 -4.577 -6.538 1.00 0.60 H new ATOM 1495 N GLN A 92 -3.902 -5.426 -10.735 1.00 0.56 N ATOM 1496 CA GLN A 92 -3.142 -6.279 -11.683 1.00 0.62 C ATOM 1497 C GLN A 92 -3.628 -5.928 -13.080 1.00 0.61 C ATOM 1498 O GLN A 92 -2.890 -5.975 -14.045 1.00 0.69 O ATOM 1499 CB GLN A 92 -3.415 -7.758 -11.393 1.00 0.64 C ATOM 1500 CG GLN A 92 -2.565 -8.627 -12.323 1.00 0.66 C ATOM 1501 CD GLN A 92 -2.824 -10.105 -12.024 1.00 0.68 C ATOM 1502 OE1 GLN A 92 -1.954 -10.801 -11.541 1.00 0.72 O ATOM 1503 NE2 GLN A 92 -3.994 -10.617 -12.293 1.00 0.67 N ATOM 0 H GLN A 92 -4.363 -5.925 -9.974 1.00 0.56 H new ATOM 0 HA GLN A 92 -2.070 -6.109 -11.586 1.00 0.62 H new ATOM 0 HB2 GLN A 92 -3.182 -7.984 -10.353 1.00 0.64 H new ATOM 0 HB3 GLN A 92 -4.473 -7.979 -11.538 1.00 0.64 H new ATOM 0 HG2 GLN A 92 -2.807 -8.408 -13.363 1.00 0.66 H new ATOM 0 HG3 GLN A 92 -1.508 -8.398 -12.186 1.00 0.66 H new ATOM 0 HE21 GLN A 92 -4.725 -10.033 -12.699 1.00 0.67 H new ATOM 0 HE22 GLN A 92 -4.177 -11.601 -12.097 1.00 0.67 H new ATOM 1512 N ASP A 93 -4.872 -5.530 -13.182 1.00 0.54 N ATOM 1513 CA ASP A 93 -5.410 -5.123 -14.502 1.00 0.54 C ATOM 1514 C ASP A 93 -4.982 -3.681 -14.728 1.00 0.55 C ATOM 1515 O ASP A 93 -4.432 -3.324 -15.752 1.00 0.62 O ATOM 1516 CB ASP A 93 -6.947 -5.229 -14.469 1.00 0.50 C ATOM 1517 CG ASP A 93 -7.484 -5.668 -15.837 1.00 0.61 C ATOM 1518 OD1 ASP A 93 -7.368 -4.894 -16.773 1.00 0.75 O ATOM 1519 OD2 ASP A 93 -8.003 -6.769 -15.922 1.00 0.80 O ATOM 0 H ASP A 93 -5.531 -5.472 -12.406 1.00 0.54 H new ATOM 0 HA ASP A 93 -5.038 -5.759 -15.305 1.00 0.54 H new ATOM 0 HB2 ASP A 93 -7.252 -5.944 -13.705 1.00 0.50 H new ATOM 0 HB3 ASP A 93 -7.378 -4.266 -14.194 1.00 0.50 H new ATOM 1524 N GLY A 94 -5.221 -2.859 -13.752 1.00 0.54 N ATOM 1525 CA GLY A 94 -4.822 -1.435 -13.862 1.00 0.61 C ATOM 1526 C GLY A 94 -3.307 -1.353 -14.050 1.00 0.73 C ATOM 1527 O GLY A 94 -2.759 -0.285 -14.240 1.00 0.82 O ATOM 0 H GLY A 94 -5.679 -3.114 -12.877 1.00 0.54 H new ATOM 0 HA2 GLY A 94 -5.331 -0.966 -14.704 1.00 0.61 H new ATOM 0 HA3 GLY A 94 -5.120 -0.891 -12.966 1.00 0.61 H new ATOM 1531 N GLY A 95 -2.620 -2.478 -14.011 1.00 0.80 N ATOM 1532 CA GLY A 95 -1.127 -2.457 -14.205 1.00 0.94 C ATOM 1533 C GLY A 95 -0.417 -3.344 -13.170 1.00 0.92 C ATOM 1534 O GLY A 95 -0.706 -4.516 -13.036 1.00 0.91 O ATOM 0 H GLY A 95 -3.024 -3.401 -13.855 1.00 0.80 H new ATOM 0 HA2 GLY A 95 -0.884 -2.801 -15.210 1.00 0.94 H new ATOM 0 HA3 GLY A 95 -0.762 -1.433 -14.122 1.00 0.94 H new ATOM 1538 N LEU A 96 0.533 -2.784 -12.458 1.00 0.92 N ATOM 1539 CA LEU A 96 1.307 -3.563 -11.446 1.00 0.91 C ATOM 1540 C LEU A 96 2.018 -4.725 -12.131 1.00 0.94 C ATOM 1541 O LEU A 96 3.203 -4.682 -12.392 1.00 0.95 O ATOM 1542 CB LEU A 96 0.371 -4.094 -10.355 1.00 0.89 C ATOM 1543 CG LEU A 96 1.201 -4.669 -9.180 1.00 0.87 C ATOM 1544 CD1 LEU A 96 1.510 -3.563 -8.164 1.00 0.93 C ATOM 1545 CD2 LEU A 96 0.418 -5.787 -8.477 1.00 0.86 C ATOM 0 H LEU A 96 0.807 -1.805 -12.539 1.00 0.92 H new ATOM 0 HA LEU A 96 2.046 -2.909 -10.983 1.00 0.91 H new ATOM 0 HB2 LEU A 96 -0.275 -3.293 -9.997 1.00 0.89 H new ATOM 0 HB3 LEU A 96 -0.278 -4.867 -10.766 1.00 0.89 H new ATOM 0 HG LEU A 96 2.132 -5.071 -9.579 1.00 0.87 H new ATOM 0 HD11 LEU A 96 2.094 -3.977 -7.342 1.00 0.93 H new ATOM 0 HD12 LEU A 96 2.079 -2.771 -8.650 1.00 0.93 H new ATOM 0 HD13 LEU A 96 0.577 -3.154 -7.777 1.00 0.93 H new ATOM 0 HD21 LEU A 96 1.011 -6.184 -7.653 1.00 0.86 H new ATOM 0 HD22 LEU A 96 -0.519 -5.387 -8.090 1.00 0.86 H new ATOM 0 HD23 LEU A 96 0.206 -6.585 -9.188 1.00 0.86 H new ATOM 1557 N GLU A 97 1.295 -5.754 -12.425 1.00 0.96 N ATOM 1558 CA GLU A 97 1.898 -6.938 -13.101 1.00 1.00 C ATOM 1559 C GLU A 97 3.156 -7.396 -12.352 1.00 0.99 C ATOM 1560 O GLU A 97 3.578 -6.791 -11.386 1.00 0.99 O ATOM 1561 CB GLU A 97 2.269 -6.569 -14.540 1.00 1.05 C ATOM 1562 CG GLU A 97 1.076 -5.891 -15.216 1.00 1.13 C ATOM 1563 CD GLU A 97 1.374 -5.695 -16.704 1.00 1.25 C ATOM 1564 OE1 GLU A 97 2.341 -5.018 -17.011 1.00 1.27 O ATOM 1565 OE2 GLU A 97 0.628 -6.224 -17.511 1.00 1.37 O ATOM 0 H GLU A 97 0.298 -5.835 -12.227 1.00 0.96 H new ATOM 0 HA GLU A 97 1.172 -7.751 -13.103 1.00 1.00 H new ATOM 0 HB2 GLU A 97 3.131 -5.902 -14.545 1.00 1.05 H new ATOM 0 HB3 GLU A 97 2.555 -7.463 -15.094 1.00 1.05 H new ATOM 0 HG2 GLU A 97 0.180 -6.499 -15.091 1.00 1.13 H new ATOM 0 HG3 GLU A 97 0.876 -4.929 -14.745 1.00 1.13 H new ATOM 1572 N LYS A 98 3.752 -8.468 -12.800 1.00 1.02 N ATOM 1573 CA LYS A 98 4.984 -8.996 -12.141 1.00 1.01 C ATOM 1574 C LYS A 98 4.835 -8.989 -10.610 1.00 1.00 C ATOM 1575 O LYS A 98 5.527 -8.252 -9.936 1.00 1.04 O ATOM 1576 CB LYS A 98 6.179 -8.125 -12.534 1.00 1.08 C ATOM 1577 CG LYS A 98 6.362 -8.160 -14.053 1.00 1.09 C ATOM 1578 CD LYS A 98 7.285 -7.018 -14.483 1.00 1.13 C ATOM 1579 CE LYS A 98 7.396 -6.997 -16.009 1.00 1.16 C ATOM 1580 NZ LYS A 98 7.739 -8.361 -16.499 1.00 1.18 N ATOM 0 H LYS A 98 3.434 -9.008 -13.605 1.00 1.02 H new ATOM 0 HA LYS A 98 5.140 -10.023 -12.470 1.00 1.01 H new ATOM 0 HB2 LYS A 98 6.020 -7.100 -12.200 1.00 1.08 H new ATOM 0 HB3 LYS A 98 7.082 -8.484 -12.040 1.00 1.08 H new ATOM 0 HG2 LYS A 98 6.785 -9.118 -14.357 1.00 1.09 H new ATOM 0 HG3 LYS A 98 5.396 -8.067 -14.549 1.00 1.09 H new ATOM 0 HD2 LYS A 98 6.895 -6.066 -14.123 1.00 1.13 H new ATOM 0 HD3 LYS A 98 8.272 -7.147 -14.038 1.00 1.13 H new ATOM 0 HE2 LYS A 98 6.455 -6.667 -16.449 1.00 1.16 H new ATOM 0 HE3 LYS A 98 8.160 -6.284 -16.319 1.00 1.16 H new ATOM 0 HZ1 LYS A 98 8.141 -8.295 -17.456 1.00 1.18 H new ATOM 0 HZ2 LYS A 98 8.435 -8.795 -15.860 1.00 1.18 H new ATOM 0 HZ3 LYS A 98 6.880 -8.947 -16.524 1.00 1.18 H new ATOM 1594 N PRO A 99 3.949 -9.818 -10.099 1.00 0.93 N ATOM 1595 CA PRO A 99 3.726 -9.916 -8.643 1.00 0.91 C ATOM 1596 C PRO A 99 4.927 -10.594 -7.973 1.00 0.98 C ATOM 1597 O PRO A 99 5.738 -11.226 -8.623 1.00 1.02 O ATOM 1598 CB PRO A 99 2.460 -10.789 -8.494 1.00 0.84 C ATOM 1599 CG PRO A 99 2.100 -11.332 -9.910 1.00 0.82 C ATOM 1600 CD PRO A 99 3.096 -10.708 -10.915 1.00 0.88 C ATOM 0 HA PRO A 99 3.607 -8.940 -8.173 1.00 0.91 H new ATOM 0 HB2 PRO A 99 2.640 -11.611 -7.802 1.00 0.84 H new ATOM 0 HB3 PRO A 99 1.636 -10.204 -8.086 1.00 0.84 H new ATOM 0 HG2 PRO A 99 2.165 -12.420 -9.931 1.00 0.82 H new ATOM 0 HG3 PRO A 99 1.075 -11.069 -10.172 1.00 0.82 H new ATOM 0 HD2 PRO A 99 3.688 -11.476 -11.413 1.00 0.88 H new ATOM 0 HD3 PRO A 99 2.575 -10.151 -11.694 1.00 0.88 H new ATOM 1608 N LYS A 100 5.037 -10.479 -6.674 1.00 0.98 N ATOM 1609 CA LYS A 100 6.168 -11.125 -5.951 1.00 1.05 C ATOM 1610 C LYS A 100 5.682 -11.686 -4.588 1.00 1.02 C ATOM 1611 O LYS A 100 5.899 -12.853 -4.327 1.00 1.04 O ATOM 1612 CB LYS A 100 7.322 -10.103 -5.781 1.00 1.11 C ATOM 1613 CG LYS A 100 8.573 -10.554 -6.559 1.00 1.18 C ATOM 1614 CD LYS A 100 9.565 -9.388 -6.684 1.00 1.25 C ATOM 1615 CE LYS A 100 10.155 -9.028 -5.315 1.00 1.22 C ATOM 1616 NZ LYS A 100 10.527 -10.268 -4.576 1.00 1.30 N ATOM 0 H LYS A 100 4.387 -9.962 -6.082 1.00 0.98 H new ATOM 0 HA LYS A 100 6.546 -11.967 -6.530 1.00 1.05 H new ATOM 0 HB2 LYS A 100 7.001 -9.124 -6.136 1.00 1.11 H new ATOM 0 HB3 LYS A 100 7.565 -9.995 -4.724 1.00 1.11 H new ATOM 0 HG2 LYS A 100 9.047 -11.392 -6.047 1.00 1.18 H new ATOM 0 HG3 LYS A 100 8.287 -10.906 -7.550 1.00 1.18 H new ATOM 0 HD2 LYS A 100 10.367 -9.658 -7.371 1.00 1.25 H new ATOM 0 HD3 LYS A 100 9.061 -8.519 -7.108 1.00 1.25 H new ATOM 0 HE2 LYS A 100 11.033 -8.395 -5.444 1.00 1.22 H new ATOM 0 HE3 LYS A 100 9.430 -8.455 -4.737 1.00 1.22 H new ATOM 0 HZ1 LYS A 100 10.972 -10.013 -3.671 1.00 1.30 H new ATOM 0 HZ2 LYS A 100 9.673 -10.833 -4.394 1.00 1.30 H new ATOM 0 HZ3 LYS A 100 11.196 -10.824 -5.146 1.00 1.30 H new ATOM 1630 N PRO A 101 5.037 -10.885 -3.746 1.00 0.97 N ATOM 1631 CA PRO A 101 4.553 -11.379 -2.445 1.00 0.95 C ATOM 1632 C PRO A 101 3.143 -11.953 -2.659 1.00 0.89 C ATOM 1633 O PRO A 101 2.803 -12.337 -3.761 1.00 0.89 O ATOM 1634 CB PRO A 101 4.548 -10.114 -1.581 1.00 0.92 C ATOM 1635 CG PRO A 101 4.362 -8.931 -2.547 1.00 0.92 C ATOM 1636 CD PRO A 101 4.729 -9.448 -3.965 1.00 0.95 C ATOM 0 HA PRO A 101 5.147 -12.169 -1.985 1.00 0.95 H new ATOM 0 HB2 PRO A 101 3.742 -10.147 -0.848 1.00 0.92 H new ATOM 0 HB3 PRO A 101 5.481 -10.019 -1.025 1.00 0.92 H new ATOM 0 HG2 PRO A 101 3.334 -8.569 -2.522 1.00 0.92 H new ATOM 0 HG3 PRO A 101 5.001 -8.095 -2.263 1.00 0.92 H new ATOM 0 HD2 PRO A 101 3.904 -9.317 -4.665 1.00 0.95 H new ATOM 0 HD3 PRO A 101 5.585 -8.913 -4.377 1.00 0.95 H new ATOM 1644 N ARG A 102 2.319 -12.029 -1.641 1.00 0.84 N ATOM 1645 CA ARG A 102 0.940 -12.595 -1.828 1.00 0.79 C ATOM 1646 C ARG A 102 -0.082 -11.783 -0.999 1.00 0.71 C ATOM 1647 O ARG A 102 0.264 -11.309 0.062 1.00 0.71 O ATOM 1648 CB ARG A 102 0.951 -14.045 -1.348 1.00 0.83 C ATOM 1649 CG ARG A 102 2.248 -14.695 -1.811 1.00 0.92 C ATOM 1650 CD ARG A 102 2.165 -16.206 -1.608 1.00 0.96 C ATOM 1651 NE ARG A 102 1.028 -16.751 -2.403 1.00 1.05 N ATOM 1652 CZ ARG A 102 0.937 -18.035 -2.618 1.00 1.11 C ATOM 1653 NH1 ARG A 102 1.841 -18.844 -2.136 1.00 1.09 N ATOM 1654 NH2 ARG A 102 -0.059 -18.511 -3.314 1.00 1.18 N ATOM 0 H ARG A 102 2.538 -11.726 -0.692 1.00 0.84 H new ATOM 0 HA ARG A 102 0.655 -12.544 -2.879 1.00 0.79 H new ATOM 0 HB2 ARG A 102 0.873 -14.085 -0.262 1.00 0.83 H new ATOM 0 HB3 ARG A 102 0.093 -14.584 -1.749 1.00 0.83 H new ATOM 0 HG2 ARG A 102 2.425 -14.468 -2.862 1.00 0.92 H new ATOM 0 HG3 ARG A 102 3.090 -14.288 -1.251 1.00 0.92 H new ATOM 0 HD2 ARG A 102 3.098 -16.677 -1.917 1.00 0.96 H new ATOM 0 HD3 ARG A 102 2.027 -16.435 -0.551 1.00 0.96 H new ATOM 0 HE ARG A 102 0.321 -16.120 -2.779 1.00 1.05 H new ATOM 0 HH11 ARG A 102 2.619 -18.473 -1.591 1.00 1.09 H new ATOM 0 HH12 ARG A 102 1.769 -19.847 -2.304 1.00 1.09 H new ATOM 0 HH21 ARG A 102 -0.766 -17.880 -3.690 1.00 1.18 H new ATOM 0 HH22 ARG A 102 -0.130 -19.515 -3.482 1.00 1.18 H new ATOM 1668 N PRO A 103 -1.318 -11.660 -1.482 1.00 0.66 N ATOM 1669 CA PRO A 103 -2.377 -10.917 -0.760 1.00 0.59 C ATOM 1670 C PRO A 103 -2.291 -11.212 0.737 1.00 0.59 C ATOM 1671 O PRO A 103 -2.642 -10.398 1.568 1.00 0.55 O ATOM 1672 CB PRO A 103 -3.686 -11.433 -1.382 1.00 0.57 C ATOM 1673 CG PRO A 103 -3.304 -12.054 -2.751 1.00 0.61 C ATOM 1674 CD PRO A 103 -1.770 -12.253 -2.754 1.00 0.67 C ATOM 0 HA PRO A 103 -2.293 -9.834 -0.852 1.00 0.59 H new ATOM 0 HB2 PRO A 103 -4.157 -12.175 -0.737 1.00 0.57 H new ATOM 0 HB3 PRO A 103 -4.402 -10.621 -1.510 1.00 0.57 H new ATOM 0 HG2 PRO A 103 -3.815 -13.006 -2.897 1.00 0.61 H new ATOM 0 HG3 PRO A 103 -3.608 -11.400 -3.568 1.00 0.61 H new ATOM 0 HD2 PRO A 103 -1.507 -13.309 -2.815 1.00 0.67 H new ATOM 0 HD3 PRO A 103 -1.307 -11.759 -3.609 1.00 0.67 H new ATOM 1682 N GLU A 104 -1.796 -12.364 1.080 1.00 0.64 N ATOM 1683 CA GLU A 104 -1.645 -12.716 2.511 1.00 0.65 C ATOM 1684 C GLU A 104 -0.468 -11.923 3.058 1.00 0.67 C ATOM 1685 O GLU A 104 -0.593 -11.147 3.980 1.00 0.65 O ATOM 1686 CB GLU A 104 -1.346 -14.213 2.629 1.00 0.71 C ATOM 1687 CG GLU A 104 -2.578 -15.015 2.210 1.00 0.71 C ATOM 1688 CD GLU A 104 -2.325 -16.505 2.452 1.00 0.78 C ATOM 1689 OE1 GLU A 104 -1.444 -17.048 1.806 1.00 0.81 O ATOM 1690 OE2 GLU A 104 -3.016 -17.078 3.279 1.00 0.82 O ATOM 0 H GLU A 104 -1.488 -13.081 0.424 1.00 0.64 H new ATOM 0 HA GLU A 104 -2.555 -12.487 3.066 1.00 0.65 H new ATOM 0 HB2 GLU A 104 -0.497 -14.476 1.998 1.00 0.71 H new ATOM 0 HB3 GLU A 104 -1.070 -14.460 3.654 1.00 0.71 H new ATOM 0 HG2 GLU A 104 -3.449 -14.686 2.777 1.00 0.71 H new ATOM 0 HG3 GLU A 104 -2.799 -14.839 1.157 1.00 0.71 H new ATOM 1697 N ASP A 105 0.669 -12.114 2.456 1.00 0.73 N ATOM 1698 CA ASP A 105 1.906 -11.405 2.863 1.00 0.78 C ATOM 1699 C ASP A 105 1.592 -9.935 3.147 1.00 0.73 C ATOM 1700 O ASP A 105 2.252 -9.289 3.926 1.00 0.77 O ATOM 1701 CB ASP A 105 2.901 -11.509 1.705 1.00 0.83 C ATOM 1702 CG ASP A 105 3.064 -12.976 1.295 1.00 0.88 C ATOM 1703 OD1 ASP A 105 2.213 -13.772 1.653 1.00 0.94 O ATOM 1704 OD2 ASP A 105 4.044 -13.277 0.634 1.00 0.86 O ATOM 0 H ASP A 105 0.794 -12.755 1.672 1.00 0.73 H new ATOM 0 HA ASP A 105 2.322 -11.849 3.767 1.00 0.78 H new ATOM 0 HB2 ASP A 105 2.550 -10.921 0.857 1.00 0.83 H new ATOM 0 HB3 ASP A 105 3.865 -11.095 2.002 1.00 0.83 H new ATOM 1709 N ILE A 106 0.576 -9.409 2.534 1.00 0.67 N ATOM 1710 CA ILE A 106 0.207 -7.982 2.787 1.00 0.64 C ATOM 1711 C ILE A 106 -0.648 -7.947 4.057 1.00 0.59 C ATOM 1712 O ILE A 106 -0.223 -7.461 5.087 1.00 0.61 O ATOM 1713 CB ILE A 106 -0.591 -7.405 1.587 1.00 0.61 C ATOM 1714 CG1 ILE A 106 -0.259 -8.168 0.297 1.00 0.64 C ATOM 1715 CG2 ILE A 106 -0.257 -5.922 1.377 1.00 0.62 C ATOM 1716 CD1 ILE A 106 1.230 -8.022 -0.043 1.00 0.72 C ATOM 0 H ILE A 106 -0.020 -9.900 1.867 1.00 0.67 H new ATOM 0 HA ILE A 106 1.104 -7.374 2.910 1.00 0.64 H new ATOM 0 HB ILE A 106 -1.651 -7.514 1.815 1.00 0.61 H new ATOM 0 HG12 ILE A 106 -0.510 -9.222 0.416 1.00 0.64 H new ATOM 0 HG13 ILE A 106 -0.865 -7.787 -0.525 1.00 0.64 H new ATOM 0 HG21 ILE A 106 -0.827 -5.537 0.531 1.00 0.62 H new ATOM 0 HG22 ILE A 106 -0.515 -5.360 2.275 1.00 0.62 H new ATOM 0 HG23 ILE A 106 0.809 -5.814 1.176 1.00 0.62 H new ATOM 0 HD11 ILE A 106 1.449 -8.569 -0.960 1.00 0.72 H new ATOM 0 HD12 ILE A 106 1.470 -6.968 -0.183 1.00 0.72 H new ATOM 0 HD13 ILE A 106 1.831 -8.426 0.772 1.00 0.72 H new ATOM 1728 N VAL A 107 -1.844 -8.487 3.994 1.00 0.54 N ATOM 1729 CA VAL A 107 -2.727 -8.523 5.204 1.00 0.51 C ATOM 1730 C VAL A 107 -1.880 -8.954 6.408 1.00 0.53 C ATOM 1731 O VAL A 107 -2.170 -8.633 7.543 1.00 0.50 O ATOM 1732 CB VAL A 107 -3.814 -9.593 4.969 1.00 0.49 C ATOM 1733 CG1 VAL A 107 -4.558 -9.961 6.270 1.00 0.48 C ATOM 1734 CG2 VAL A 107 -4.817 -9.089 3.941 1.00 0.46 C ATOM 0 H VAL A 107 -2.246 -8.905 3.155 1.00 0.54 H new ATOM 0 HA VAL A 107 -3.176 -7.546 5.384 1.00 0.51 H new ATOM 0 HB VAL A 107 -3.315 -10.491 4.604 1.00 0.49 H new ATOM 0 HG11 VAL A 107 -5.313 -10.717 6.056 1.00 0.48 H new ATOM 0 HG12 VAL A 107 -3.847 -10.354 6.997 1.00 0.48 H new ATOM 0 HG13 VAL A 107 -5.040 -9.072 6.677 1.00 0.48 H new ATOM 0 HG21 VAL A 107 -5.583 -9.847 3.778 1.00 0.46 H new ATOM 0 HG22 VAL A 107 -5.284 -8.174 4.306 1.00 0.46 H new ATOM 0 HG23 VAL A 107 -4.303 -8.884 3.002 1.00 0.46 H new ATOM 1744 N ASN A 108 -0.849 -9.714 6.149 1.00 0.59 N ATOM 1745 CA ASN A 108 0.023 -10.223 7.248 1.00 0.63 C ATOM 1746 C ASN A 108 0.620 -9.052 8.040 1.00 0.63 C ATOM 1747 O ASN A 108 1.425 -9.242 8.929 1.00 0.66 O ATOM 1748 CB ASN A 108 1.160 -11.076 6.634 1.00 0.69 C ATOM 1749 CG ASN A 108 1.565 -12.193 7.605 1.00 1.07 C ATOM 1750 OD1 ASN A 108 2.262 -11.952 8.570 1.00 1.33 O ATOM 1751 ND2 ASN A 108 1.153 -13.412 7.386 1.00 1.35 N ATOM 0 H ASN A 108 -0.571 -10.007 5.212 1.00 0.59 H new ATOM 0 HA ASN A 108 -0.571 -10.833 7.928 1.00 0.63 H new ATOM 0 HB2 ASN A 108 0.832 -11.507 5.688 1.00 0.69 H new ATOM 0 HB3 ASN A 108 2.021 -10.445 6.415 1.00 0.69 H new ATOM 0 HD21 ASN A 108 1.416 -14.162 8.025 1.00 1.35 H new ATOM 0 HD22 ASN A 108 0.568 -13.615 6.576 1.00 1.35 H new ATOM 1758 N CYS A 109 0.228 -7.849 7.733 1.00 0.61 N ATOM 1759 CA CYS A 109 0.769 -6.677 8.479 1.00 0.63 C ATOM 1760 C CYS A 109 2.298 -6.676 8.403 1.00 0.70 C ATOM 1761 O CYS A 109 2.949 -5.809 8.952 1.00 0.85 O ATOM 1762 CB CYS A 109 0.332 -6.765 9.944 1.00 0.62 C ATOM 1763 SG CYS A 109 0.575 -5.158 10.742 1.00 0.66 S ATOM 0 H CYS A 109 -0.443 -7.625 6.998 1.00 0.61 H new ATOM 0 HA CYS A 109 0.387 -5.758 8.035 1.00 0.63 H new ATOM 0 HB2 CYS A 109 -0.716 -7.059 10.005 1.00 0.62 H new ATOM 0 HB3 CYS A 109 0.909 -7.531 10.462 1.00 0.62 H new ATOM 0 HG CYS A 109 1.731 -4.673 10.398 1.00 0.66 H new ATOM 1769 N ASP A 110 2.885 -7.630 7.726 1.00 0.72 N ATOM 1770 CA ASP A 110 4.359 -7.649 7.630 1.00 0.79 C ATOM 1771 C ASP A 110 4.797 -6.455 6.799 1.00 0.81 C ATOM 1772 O ASP A 110 4.017 -5.858 6.086 1.00 0.80 O ATOM 1773 CB ASP A 110 4.845 -8.946 6.972 1.00 0.84 C ATOM 1774 CG ASP A 110 4.228 -9.097 5.584 1.00 0.85 C ATOM 1775 OD1 ASP A 110 3.984 -8.085 4.949 1.00 0.88 O ATOM 1776 OD2 ASP A 110 4.015 -10.227 5.175 1.00 0.98 O ATOM 0 H ASP A 110 2.404 -8.388 7.242 1.00 0.72 H new ATOM 0 HA ASP A 110 4.790 -7.597 8.630 1.00 0.79 H new ATOM 0 HB2 ASP A 110 5.932 -8.938 6.896 1.00 0.84 H new ATOM 0 HB3 ASP A 110 4.575 -9.800 7.593 1.00 0.84 H new ATOM 1781 N LEU A 111 6.034 -6.104 6.892 1.00 0.89 N ATOM 1782 CA LEU A 111 6.557 -4.958 6.130 1.00 0.93 C ATOM 1783 C LEU A 111 7.192 -5.477 4.845 1.00 0.97 C ATOM 1784 O LEU A 111 6.879 -5.062 3.771 1.00 0.96 O ATOM 1785 CB LEU A 111 7.637 -4.247 6.964 1.00 1.02 C ATOM 1786 CG LEU A 111 7.260 -4.199 8.459 1.00 1.06 C ATOM 1787 CD1 LEU A 111 5.824 -3.685 8.620 1.00 1.09 C ATOM 1788 CD2 LEU A 111 7.407 -5.593 9.122 1.00 1.12 C ATOM 0 H LEU A 111 6.722 -6.575 7.479 1.00 0.89 H new ATOM 0 HA LEU A 111 5.749 -4.263 5.901 1.00 0.93 H new ATOM 0 HB2 LEU A 111 8.589 -4.764 6.845 1.00 1.02 H new ATOM 0 HB3 LEU A 111 7.777 -3.233 6.591 1.00 1.02 H new ATOM 0 HG LEU A 111 7.946 -3.516 8.960 1.00 1.06 H new ATOM 0 HD11 LEU A 111 5.565 -3.654 9.678 1.00 1.09 H new ATOM 0 HD12 LEU A 111 5.747 -2.683 8.198 1.00 1.09 H new ATOM 0 HD13 LEU A 111 5.138 -4.352 8.098 1.00 1.09 H new ATOM 0 HD21 LEU A 111 7.134 -5.526 10.175 1.00 1.12 H new ATOM 0 HD22 LEU A 111 6.750 -6.305 8.622 1.00 1.12 H new ATOM 0 HD23 LEU A 111 8.440 -5.930 9.036 1.00 1.12 H new ATOM 1800 N LYS A 112 8.107 -6.373 4.994 1.00 1.00 N ATOM 1801 CA LYS A 112 8.863 -6.948 3.847 1.00 1.04 C ATOM 1802 C LYS A 112 8.078 -6.981 2.530 1.00 1.02 C ATOM 1803 O LYS A 112 8.292 -6.189 1.622 1.00 1.04 O ATOM 1804 CB LYS A 112 9.183 -8.384 4.254 1.00 1.06 C ATOM 1805 CG LYS A 112 9.950 -9.085 3.145 1.00 1.12 C ATOM 1806 CD LYS A 112 10.577 -10.371 3.687 1.00 1.15 C ATOM 1807 CE LYS A 112 11.195 -11.165 2.534 1.00 1.20 C ATOM 1808 NZ LYS A 112 10.167 -11.394 1.480 1.00 1.17 N ATOM 0 H LYS A 112 8.380 -6.752 5.901 1.00 1.00 H new ATOM 0 HA LYS A 112 9.737 -6.326 3.655 1.00 1.04 H new ATOM 0 HB2 LYS A 112 9.772 -8.387 5.171 1.00 1.06 H new ATOM 0 HB3 LYS A 112 8.260 -8.924 4.465 1.00 1.06 H new ATOM 0 HG2 LYS A 112 9.281 -9.316 2.316 1.00 1.12 H new ATOM 0 HG3 LYS A 112 10.726 -8.427 2.754 1.00 1.12 H new ATOM 0 HD2 LYS A 112 11.340 -10.132 4.427 1.00 1.15 H new ATOM 0 HD3 LYS A 112 9.821 -10.972 4.192 1.00 1.15 H new ATOM 0 HE2 LYS A 112 12.043 -10.621 2.118 1.00 1.20 H new ATOM 0 HE3 LYS A 112 11.576 -12.119 2.899 1.00 1.20 H new ATOM 0 HZ1 LYS A 112 10.397 -12.261 0.954 1.00 1.17 H new ATOM 0 HZ2 LYS A 112 9.232 -11.496 1.923 1.00 1.17 H new ATOM 0 HZ3 LYS A 112 10.154 -10.585 0.826 1.00 1.17 H new ATOM 1822 N SER A 113 7.203 -7.908 2.415 1.00 0.98 N ATOM 1823 CA SER A 113 6.411 -8.059 1.166 1.00 0.96 C ATOM 1824 C SER A 113 5.619 -6.777 0.867 1.00 0.92 C ATOM 1825 O SER A 113 5.748 -6.155 -0.177 1.00 0.94 O ATOM 1826 CB SER A 113 5.440 -9.207 1.424 1.00 0.92 C ATOM 1827 OG SER A 113 5.244 -9.334 2.826 1.00 0.90 O ATOM 0 H SER A 113 6.988 -8.590 3.142 1.00 0.98 H new ATOM 0 HA SER A 113 7.060 -8.251 0.312 1.00 0.96 H new ATOM 0 HB2 SER A 113 4.489 -9.017 0.926 1.00 0.92 H new ATOM 0 HB3 SER A 113 5.835 -10.136 1.012 1.00 0.92 H new ATOM 0 HG SER A 113 5.523 -10.228 3.116 1.00 0.90 H new ATOM 1833 N THR A 114 4.793 -6.413 1.793 1.00 0.88 N ATOM 1834 CA THR A 114 3.937 -5.200 1.662 1.00 0.85 C ATOM 1835 C THR A 114 4.742 -4.065 1.018 1.00 0.89 C ATOM 1836 O THR A 114 4.258 -3.330 0.182 1.00 0.89 O ATOM 1837 CB THR A 114 3.434 -4.823 3.088 1.00 0.81 C ATOM 1838 OG1 THR A 114 2.018 -4.732 3.073 1.00 0.76 O ATOM 1839 CG2 THR A 114 4.013 -3.487 3.588 1.00 0.84 C ATOM 0 H THR A 114 4.667 -6.920 2.669 1.00 0.88 H new ATOM 0 HA THR A 114 3.078 -5.386 1.017 1.00 0.85 H new ATOM 0 HB THR A 114 3.773 -5.604 3.768 1.00 0.81 H new ATOM 0 HG1 THR A 114 1.696 -4.497 3.968 1.00 0.76 H new ATOM 0 HG21 THR A 114 3.629 -3.275 4.586 1.00 0.84 H new ATOM 0 HG22 THR A 114 5.100 -3.553 3.624 1.00 0.84 H new ATOM 0 HG23 THR A 114 3.720 -2.687 2.909 1.00 0.84 H new ATOM 1847 N LEU A 115 5.962 -3.929 1.422 1.00 0.95 N ATOM 1848 CA LEU A 115 6.830 -2.862 0.887 1.00 1.00 C ATOM 1849 C LEU A 115 7.076 -3.113 -0.591 1.00 1.02 C ATOM 1850 O LEU A 115 7.023 -2.212 -1.387 1.00 1.02 O ATOM 1851 CB LEU A 115 8.166 -2.871 1.662 1.00 1.06 C ATOM 1852 CG LEU A 115 8.082 -1.931 2.889 1.00 1.04 C ATOM 1853 CD1 LEU A 115 9.007 -2.434 4.000 1.00 1.09 C ATOM 1854 CD2 LEU A 115 8.511 -0.516 2.484 1.00 1.06 C ATOM 0 H LEU A 115 6.405 -4.528 2.118 1.00 0.95 H new ATOM 0 HA LEU A 115 6.353 -1.889 1.005 1.00 1.00 H new ATOM 0 HB2 LEU A 115 8.399 -3.885 1.987 1.00 1.06 H new ATOM 0 HB3 LEU A 115 8.977 -2.553 1.006 1.00 1.06 H new ATOM 0 HG LEU A 115 7.054 -1.917 3.252 1.00 1.04 H new ATOM 0 HD11 LEU A 115 8.941 -1.766 4.859 1.00 1.09 H new ATOM 0 HD12 LEU A 115 8.706 -3.438 4.297 1.00 1.09 H new ATOM 0 HD13 LEU A 115 10.034 -2.456 3.636 1.00 1.09 H new ATOM 0 HD21 LEU A 115 8.451 0.144 3.349 1.00 1.06 H new ATOM 0 HD22 LEU A 115 9.536 -0.538 2.115 1.00 1.06 H new ATOM 0 HD23 LEU A 115 7.851 -0.146 1.699 1.00 1.06 H new ATOM 1866 N ARG A 116 7.357 -4.320 -0.977 1.00 1.03 N ATOM 1867 CA ARG A 116 7.616 -4.554 -2.432 1.00 1.05 C ATOM 1868 C ARG A 116 6.428 -4.054 -3.280 1.00 1.01 C ATOM 1869 O ARG A 116 6.606 -3.347 -4.252 1.00 1.04 O ATOM 1870 CB ARG A 116 7.844 -6.062 -2.670 1.00 1.04 C ATOM 1871 CG ARG A 116 9.283 -6.332 -3.165 1.00 1.10 C ATOM 1872 CD ARG A 116 9.430 -5.902 -4.633 1.00 1.10 C ATOM 1873 NE ARG A 116 8.335 -6.489 -5.457 1.00 1.16 N ATOM 1874 CZ ARG A 116 8.091 -6.018 -6.650 1.00 1.17 C ATOM 1875 NH1 ARG A 116 8.798 -5.026 -7.118 1.00 1.13 N ATOM 1876 NH2 ARG A 116 7.138 -6.537 -7.375 1.00 1.23 N ATOM 0 H ARG A 116 7.419 -5.140 -0.373 1.00 1.03 H new ATOM 0 HA ARG A 116 8.505 -3.999 -2.732 1.00 1.05 H new ATOM 0 HB2 ARG A 116 7.664 -6.611 -1.746 1.00 1.04 H new ATOM 0 HB3 ARG A 116 7.128 -6.431 -3.404 1.00 1.04 H new ATOM 0 HG2 ARG A 116 9.996 -5.788 -2.546 1.00 1.10 H new ATOM 0 HG3 ARG A 116 9.517 -7.392 -3.064 1.00 1.10 H new ATOM 0 HD2 ARG A 116 9.405 -4.815 -4.705 1.00 1.10 H new ATOM 0 HD3 ARG A 116 10.397 -6.225 -5.018 1.00 1.10 H new ATOM 0 HE ARG A 116 7.776 -7.259 -5.089 1.00 1.16 H new ATOM 0 HH11 ARG A 116 9.542 -4.618 -6.552 1.00 1.13 H new ATOM 0 HH12 ARG A 116 8.607 -4.659 -8.050 1.00 1.13 H new ATOM 0 HH21 ARG A 116 6.583 -7.311 -7.010 1.00 1.23 H new ATOM 0 HH22 ARG A 116 6.948 -6.169 -8.307 1.00 1.23 H new ATOM 1890 N VAL A 117 5.229 -4.442 -2.942 1.00 0.95 N ATOM 1891 CA VAL A 117 4.045 -4.021 -3.756 1.00 0.91 C ATOM 1892 C VAL A 117 3.792 -2.517 -3.634 1.00 0.92 C ATOM 1893 O VAL A 117 3.564 -1.841 -4.618 1.00 0.94 O ATOM 1894 CB VAL A 117 2.800 -4.804 -3.291 1.00 0.85 C ATOM 1895 CG1 VAL A 117 1.514 -4.130 -3.796 1.00 0.82 C ATOM 1896 CG2 VAL A 117 2.860 -6.227 -3.849 1.00 0.85 C ATOM 0 H VAL A 117 5.014 -5.032 -2.138 1.00 0.95 H new ATOM 0 HA VAL A 117 4.251 -4.241 -4.804 1.00 0.91 H new ATOM 0 HB VAL A 117 2.789 -4.821 -2.201 1.00 0.85 H new ATOM 0 HG11 VAL A 117 0.648 -4.698 -3.457 1.00 0.82 H new ATOM 0 HG12 VAL A 117 1.458 -3.114 -3.404 1.00 0.82 H new ATOM 0 HG13 VAL A 117 1.523 -4.099 -4.886 1.00 0.82 H new ATOM 0 HG21 VAL A 117 1.981 -6.783 -3.522 1.00 0.85 H new ATOM 0 HG22 VAL A 117 2.882 -6.190 -4.938 1.00 0.85 H new ATOM 0 HG23 VAL A 117 3.760 -6.723 -3.485 1.00 0.85 H new ATOM 1906 N LEU A 118 3.807 -1.986 -2.452 1.00 0.91 N ATOM 1907 CA LEU A 118 3.534 -0.530 -2.317 1.00 0.92 C ATOM 1908 C LEU A 118 4.602 0.243 -3.090 1.00 0.98 C ATOM 1909 O LEU A 118 4.310 1.203 -3.769 1.00 1.00 O ATOM 1910 CB LEU A 118 3.535 -0.121 -0.830 1.00 0.92 C ATOM 1911 CG LEU A 118 2.097 -0.020 -0.278 1.00 0.86 C ATOM 1912 CD1 LEU A 118 1.312 1.099 -0.999 1.00 0.86 C ATOM 1913 CD2 LEU A 118 1.379 -1.370 -0.450 1.00 0.81 C ATOM 0 H LEU A 118 3.993 -2.485 -1.582 1.00 0.91 H new ATOM 0 HA LEU A 118 2.551 -0.299 -2.726 1.00 0.92 H new ATOM 0 HB2 LEU A 118 4.100 -0.851 -0.250 1.00 0.92 H new ATOM 0 HB3 LEU A 118 4.040 0.838 -0.714 1.00 0.92 H new ATOM 0 HG LEU A 118 2.146 0.228 0.782 1.00 0.86 H new ATOM 0 HD11 LEU A 118 0.301 1.153 -0.595 1.00 0.86 H new ATOM 0 HD12 LEU A 118 1.816 2.053 -0.846 1.00 0.86 H new ATOM 0 HD13 LEU A 118 1.265 0.881 -2.066 1.00 0.86 H new ATOM 0 HD21 LEU A 118 0.364 -1.295 -0.059 1.00 0.81 H new ATOM 0 HD22 LEU A 118 1.342 -1.630 -1.508 1.00 0.81 H new ATOM 0 HD23 LEU A 118 1.921 -2.143 0.095 1.00 0.81 H new ATOM 1925 N TYR A 119 5.829 -0.177 -3.016 1.00 1.03 N ATOM 1926 CA TYR A 119 6.893 0.523 -3.772 1.00 1.09 C ATOM 1927 C TYR A 119 6.470 0.546 -5.224 1.00 1.08 C ATOM 1928 O TYR A 119 6.420 1.570 -5.867 1.00 1.11 O ATOM 1929 CB TYR A 119 8.189 -0.266 -3.648 1.00 1.13 C ATOM 1930 CG TYR A 119 9.315 0.531 -4.239 1.00 1.20 C ATOM 1931 CD1 TYR A 119 9.887 1.577 -3.514 1.00 1.24 C ATOM 1932 CD2 TYR A 119 9.781 0.222 -5.514 1.00 1.24 C ATOM 1933 CE1 TYR A 119 10.934 2.322 -4.071 1.00 1.31 C ATOM 1934 CE2 TYR A 119 10.827 0.961 -6.077 1.00 1.31 C ATOM 1935 CZ TYR A 119 11.405 2.013 -5.354 1.00 1.34 C ATOM 1936 OH TYR A 119 12.437 2.744 -5.906 1.00 1.41 O ATOM 0 H TYR A 119 6.140 -0.976 -2.464 1.00 1.03 H new ATOM 0 HA TYR A 119 7.045 1.533 -3.391 1.00 1.09 H new ATOM 0 HB2 TYR A 119 8.395 -0.486 -2.601 1.00 1.13 H new ATOM 0 HB3 TYR A 119 8.096 -1.222 -4.163 1.00 1.13 H new ATOM 0 HD1 TYR A 119 9.523 1.812 -2.525 1.00 1.24 H new ATOM 0 HD2 TYR A 119 9.334 -0.589 -6.069 1.00 1.24 H new ATOM 0 HE1 TYR A 119 11.378 3.133 -3.513 1.00 1.31 H new ATOM 0 HE2 TYR A 119 11.188 0.721 -7.066 1.00 1.31 H new ATOM 0 HH TYR A 119 12.641 2.398 -6.800 1.00 1.41 H new ATOM 1946 N ASN A 120 6.148 -0.601 -5.724 1.00 1.06 N ATOM 1947 CA ASN A 120 5.695 -0.723 -7.131 1.00 1.05 C ATOM 1948 C ASN A 120 4.676 0.396 -7.438 1.00 1.03 C ATOM 1949 O ASN A 120 4.687 0.996 -8.503 1.00 1.05 O ATOM 1950 CB ASN A 120 5.040 -2.116 -7.295 1.00 1.01 C ATOM 1951 CG ASN A 120 5.414 -2.727 -8.652 1.00 1.04 C ATOM 1952 OD1 ASN A 120 4.749 -2.491 -9.641 1.00 1.06 O ATOM 1953 ND2 ASN A 120 6.458 -3.505 -8.737 1.00 1.06 N ATOM 0 H ASN A 120 6.179 -1.481 -5.209 1.00 1.06 H new ATOM 0 HA ASN A 120 6.531 -0.623 -7.823 1.00 1.05 H new ATOM 0 HB2 ASN A 120 5.366 -2.775 -6.490 1.00 1.01 H new ATOM 0 HB3 ASN A 120 3.957 -2.027 -7.215 1.00 1.01 H new ATOM 0 HD21 ASN A 120 6.716 -3.916 -9.634 1.00 1.06 H new ATOM 0 HD22 ASN A 120 7.016 -3.703 -7.906 1.00 1.06 H new ATOM 1960 N LEU A 121 3.800 0.691 -6.509 1.00 0.99 N ATOM 1961 CA LEU A 121 2.801 1.761 -6.757 1.00 0.97 C ATOM 1962 C LEU A 121 3.502 3.111 -6.739 1.00 1.03 C ATOM 1963 O LEU A 121 3.545 3.787 -7.733 1.00 1.05 O ATOM 1964 CB LEU A 121 1.728 1.747 -5.661 1.00 0.92 C ATOM 1965 CG LEU A 121 0.616 0.741 -5.993 1.00 0.87 C ATOM 1966 CD1 LEU A 121 1.136 -0.683 -5.800 1.00 0.86 C ATOM 1967 CD2 LEU A 121 -0.569 0.974 -5.053 1.00 0.87 C ATOM 0 H LEU A 121 3.738 0.237 -5.598 1.00 0.99 H new ATOM 0 HA LEU A 121 2.331 1.590 -7.725 1.00 0.97 H new ATOM 0 HB2 LEU A 121 2.183 1.489 -4.705 1.00 0.92 H new ATOM 0 HB3 LEU A 121 1.301 2.744 -5.552 1.00 0.92 H new ATOM 0 HG LEU A 121 0.302 0.876 -7.028 1.00 0.87 H new ATOM 0 HD11 LEU A 121 0.345 -1.394 -6.036 1.00 0.86 H new ATOM 0 HD12 LEU A 121 1.986 -0.853 -6.461 1.00 0.86 H new ATOM 0 HD13 LEU A 121 1.449 -0.819 -4.765 1.00 0.86 H new ATOM 0 HD21 LEU A 121 -1.362 0.263 -5.284 1.00 0.87 H new ATOM 0 HD22 LEU A 121 -0.247 0.836 -4.021 1.00 0.87 H new ATOM 0 HD23 LEU A 121 -0.943 1.989 -5.184 1.00 0.87 H new ATOM 1979 N PHE A 122 4.045 3.514 -5.613 1.00 1.05 N ATOM 1980 CA PHE A 122 4.728 4.831 -5.536 1.00 1.11 C ATOM 1981 C PHE A 122 5.532 5.074 -6.790 1.00 1.16 C ATOM 1982 O PHE A 122 5.753 6.185 -7.203 1.00 1.20 O ATOM 1983 CB PHE A 122 5.683 4.810 -4.323 1.00 1.14 C ATOM 1984 CG PHE A 122 5.820 6.190 -3.751 1.00 1.18 C ATOM 1985 CD1 PHE A 122 4.694 6.790 -3.228 1.00 1.16 C ATOM 1986 CD2 PHE A 122 7.052 6.856 -3.741 1.00 1.25 C ATOM 1987 CE1 PHE A 122 4.773 8.079 -2.680 1.00 1.20 C ATOM 1988 CE2 PHE A 122 7.142 8.142 -3.197 1.00 1.29 C ATOM 1989 CZ PHE A 122 6.000 8.755 -2.665 1.00 1.27 C ATOM 0 H PHE A 122 4.040 2.979 -4.744 1.00 1.05 H new ATOM 0 HA PHE A 122 3.987 5.623 -5.432 1.00 1.11 H new ATOM 0 HB2 PHE A 122 5.302 4.129 -3.562 1.00 1.14 H new ATOM 0 HB3 PHE A 122 6.660 4.435 -4.626 1.00 1.14 H new ATOM 0 HD1 PHE A 122 3.749 6.267 -3.240 1.00 1.16 H new ATOM 0 HD2 PHE A 122 7.929 6.379 -4.152 1.00 1.25 H new ATOM 0 HE1 PHE A 122 3.891 8.549 -2.271 1.00 1.20 H new ATOM 0 HE2 PHE A 122 8.089 8.661 -3.187 1.00 1.29 H new ATOM 0 HZ PHE A 122 6.065 9.747 -2.244 1.00 1.27 H new ATOM 1999 N THR A 123 5.946 4.039 -7.394 1.00 1.15 N ATOM 2000 CA THR A 123 6.742 4.191 -8.629 1.00 1.20 C ATOM 2001 C THR A 123 5.848 4.679 -9.761 1.00 1.18 C ATOM 2002 O THR A 123 6.136 5.654 -10.424 1.00 1.22 O ATOM 2003 CB THR A 123 7.360 2.844 -9.011 1.00 1.21 C ATOM 2004 OG1 THR A 123 7.956 2.256 -7.863 1.00 1.22 O ATOM 2005 CG2 THR A 123 8.425 3.058 -10.088 1.00 1.27 C ATOM 0 H THR A 123 5.775 3.078 -7.097 1.00 1.15 H new ATOM 0 HA THR A 123 7.535 4.919 -8.457 1.00 1.20 H new ATOM 0 HB THR A 123 6.584 2.183 -9.396 1.00 1.21 H new ATOM 0 HG1 THR A 123 7.274 1.772 -7.352 1.00 1.22 H new ATOM 0 HG21 THR A 123 8.865 2.099 -10.360 1.00 1.27 H new ATOM 0 HG22 THR A 123 7.967 3.510 -10.968 1.00 1.27 H new ATOM 0 HG23 THR A 123 9.203 3.718 -9.704 1.00 1.27 H new ATOM 2013 N LYS A 124 4.780 3.991 -10.002 1.00 1.12 N ATOM 2014 CA LYS A 124 3.886 4.378 -11.136 1.00 1.10 C ATOM 2015 C LYS A 124 2.949 5.541 -10.797 1.00 1.10 C ATOM 2016 O LYS A 124 2.382 6.138 -11.691 1.00 1.11 O ATOM 2017 CB LYS A 124 3.024 3.181 -11.527 1.00 1.04 C ATOM 2018 CG LYS A 124 3.896 1.952 -11.802 1.00 1.04 C ATOM 2019 CD LYS A 124 3.023 0.676 -11.743 1.00 0.99 C ATOM 2020 CE LYS A 124 3.458 -0.289 -12.845 1.00 0.98 C ATOM 2021 NZ LYS A 124 2.577 -1.486 -12.847 1.00 0.92 N ATOM 0 H LYS A 124 4.479 3.176 -9.469 1.00 1.12 H new ATOM 0 HA LYS A 124 4.537 4.697 -11.950 1.00 1.10 H new ATOM 0 HB2 LYS A 124 2.317 2.960 -10.728 1.00 1.04 H new ATOM 0 HB3 LYS A 124 2.438 3.423 -12.414 1.00 1.04 H new ATOM 0 HG2 LYS A 124 4.366 2.039 -12.781 1.00 1.04 H new ATOM 0 HG3 LYS A 124 4.699 1.891 -11.067 1.00 1.04 H new ATOM 0 HD2 LYS A 124 3.122 0.200 -10.768 1.00 0.99 H new ATOM 0 HD3 LYS A 124 1.972 0.936 -11.866 1.00 0.99 H new ATOM 0 HE2 LYS A 124 3.413 0.208 -13.814 1.00 0.98 H new ATOM 0 HE3 LYS A 124 4.494 -0.590 -12.689 1.00 0.98 H new ATOM 0 HZ1 LYS A 124 3.159 -2.345 -12.780 1.00 0.92 H new ATOM 0 HZ2 LYS A 124 1.930 -1.442 -12.034 1.00 0.92 H new ATOM 0 HZ3 LYS A 124 2.025 -1.509 -13.728 1.00 0.92 H new ATOM 2035 N TYR A 125 2.741 5.859 -9.542 1.00 1.10 N ATOM 2036 CA TYR A 125 1.790 6.969 -9.203 1.00 1.11 C ATOM 2037 C TYR A 125 2.555 8.207 -8.722 1.00 1.17 C ATOM 2038 O TYR A 125 2.013 9.289 -8.634 1.00 1.20 O ATOM 2039 CB TYR A 125 0.834 6.479 -8.120 1.00 1.06 C ATOM 2040 CG TYR A 125 -0.082 5.409 -8.692 1.00 1.00 C ATOM 2041 CD1 TYR A 125 0.424 4.142 -9.036 1.00 0.97 C ATOM 2042 CD2 TYR A 125 -1.446 5.685 -8.880 1.00 0.99 C ATOM 2043 CE1 TYR A 125 -0.431 3.165 -9.562 1.00 0.92 C ATOM 2044 CE2 TYR A 125 -2.296 4.704 -9.406 1.00 0.94 C ATOM 2045 CZ TYR A 125 -1.788 3.446 -9.746 1.00 0.90 C ATOM 2046 OH TYR A 125 -2.628 2.482 -10.265 1.00 0.86 O ATOM 0 H TYR A 125 3.183 5.404 -8.743 1.00 1.10 H new ATOM 0 HA TYR A 125 1.226 7.251 -10.092 1.00 1.11 H new ATOM 0 HB2 TYR A 125 1.398 6.077 -7.278 1.00 1.06 H new ATOM 0 HB3 TYR A 125 0.243 7.312 -7.739 1.00 1.06 H new ATOM 0 HD1 TYR A 125 1.472 3.923 -8.894 1.00 0.97 H new ATOM 0 HD2 TYR A 125 -1.840 6.656 -8.618 1.00 0.99 H new ATOM 0 HE1 TYR A 125 -0.041 2.193 -9.826 1.00 0.92 H new ATOM 0 HE2 TYR A 125 -3.345 4.919 -9.549 1.00 0.94 H new ATOM 0 HH TYR A 125 -3.538 2.840 -10.327 1.00 0.86 H new ATOM 2056 N ARG A 126 3.808 8.054 -8.411 1.00 1.20 N ATOM 2057 CA ARG A 126 4.630 9.201 -7.944 1.00 1.27 C ATOM 2058 C ARG A 126 4.348 10.445 -8.806 1.00 1.31 C ATOM 2059 O ARG A 126 4.475 11.567 -8.357 1.00 1.35 O ATOM 2060 CB ARG A 126 6.110 8.755 -8.036 1.00 1.31 C ATOM 2061 CG ARG A 126 6.998 9.870 -8.596 1.00 1.38 C ATOM 2062 CD ARG A 126 8.487 9.449 -8.569 1.00 1.42 C ATOM 2063 NE ARG A 126 9.330 10.585 -8.073 1.00 1.49 N ATOM 2064 CZ ARG A 126 9.175 11.799 -8.536 1.00 1.52 C ATOM 2065 NH1 ARG A 126 8.354 12.030 -9.523 1.00 1.50 N ATOM 2066 NH2 ARG A 126 9.872 12.779 -8.028 1.00 1.59 N ATOM 0 H ARG A 126 4.307 7.166 -8.462 1.00 1.20 H new ATOM 0 HA ARG A 126 4.389 9.478 -6.918 1.00 1.27 H new ATOM 0 HB2 ARG A 126 6.466 8.467 -7.047 1.00 1.31 H new ATOM 0 HB3 ARG A 126 6.187 7.873 -8.672 1.00 1.31 H new ATOM 0 HG2 ARG A 126 6.699 10.101 -9.618 1.00 1.38 H new ATOM 0 HG3 ARG A 126 6.861 10.779 -8.011 1.00 1.38 H new ATOM 0 HD2 ARG A 126 8.616 8.580 -7.924 1.00 1.42 H new ATOM 0 HD3 ARG A 126 8.809 9.155 -9.568 1.00 1.42 H new ATOM 0 HE ARG A 126 10.038 10.408 -7.361 1.00 1.49 H new ATOM 0 HH11 ARG A 126 7.828 11.262 -9.939 1.00 1.50 H new ATOM 0 HH12 ARG A 126 8.238 12.979 -9.879 1.00 1.50 H new ATOM 0 HH21 ARG A 126 10.534 12.597 -7.274 1.00 1.59 H new ATOM 0 HH22 ARG A 126 9.755 13.727 -8.386 1.00 1.59 H new ATOM 2080 N ASN A 127 3.987 10.246 -10.035 1.00 1.30 N ATOM 2081 CA ASN A 127 3.714 11.392 -10.945 1.00 1.33 C ATOM 2082 C ASN A 127 2.243 11.761 -10.825 1.00 1.29 C ATOM 2083 O ASN A 127 1.825 12.863 -11.121 1.00 1.31 O ATOM 2084 CB ASN A 127 4.039 10.942 -12.381 1.00 1.35 C ATOM 2085 CG ASN A 127 5.426 11.446 -12.802 1.00 1.43 C ATOM 2086 OD1 ASN A 127 6.345 11.626 -11.893 1.00 1.46 O flip ATOM 2087 ND2 ASN A 127 5.672 11.679 -13.968 1.00 1.46 N flip ATOM 0 H ASN A 127 3.867 9.326 -10.458 1.00 1.30 H new ATOM 0 HA ASN A 127 4.321 12.260 -10.688 1.00 1.33 H new ATOM 0 HB2 ASN A 127 4.007 9.854 -12.444 1.00 1.35 H new ATOM 0 HB3 ASN A 127 3.283 11.323 -13.068 1.00 1.35 H new ATOM 0 HD21 ASN A 127 4.954 11.538 -14.679 1.00 1.46 H new ATOM 0 HD22 ASN A 127 6.597 12.015 -14.237 1.00 1.46 H new ATOM 2094 N VAL A 128 1.472 10.829 -10.388 1.00 1.23 N ATOM 2095 CA VAL A 128 0.021 11.054 -10.221 1.00 1.18 C ATOM 2096 C VAL A 128 -0.217 11.801 -8.917 1.00 1.15 C ATOM 2097 O VAL A 128 0.315 11.471 -7.875 1.00 1.11 O ATOM 2098 CB VAL A 128 -0.677 9.694 -10.203 1.00 1.14 C ATOM 2099 CG1 VAL A 128 -2.114 9.836 -9.689 1.00 1.09 C ATOM 2100 CG2 VAL A 128 -0.700 9.119 -11.622 1.00 1.17 C ATOM 0 H VAL A 128 1.790 9.894 -10.131 1.00 1.23 H new ATOM 0 HA VAL A 128 -0.379 11.651 -11.040 1.00 1.18 H new ATOM 0 HB VAL A 128 -0.130 9.025 -9.538 1.00 1.14 H new ATOM 0 HG11 VAL A 128 -2.596 8.859 -9.683 1.00 1.09 H new ATOM 0 HG12 VAL A 128 -2.100 10.240 -8.677 1.00 1.09 H new ATOM 0 HG13 VAL A 128 -2.669 10.510 -10.341 1.00 1.09 H new ATOM 0 HG21 VAL A 128 -1.197 8.149 -11.613 1.00 1.17 H new ATOM 0 HG22 VAL A 128 -1.241 9.798 -12.281 1.00 1.17 H new ATOM 0 HG23 VAL A 128 0.322 9.000 -11.983 1.00 1.17 H new ATOM 2110 N GLU A 129 -0.995 12.825 -8.997 1.00 1.19 N ATOM 2111 CA GLU A 129 -1.291 13.666 -7.817 1.00 1.17 C ATOM 2112 C GLU A 129 -2.118 12.875 -6.796 1.00 1.11 C ATOM 2113 O GLU A 129 -2.375 11.709 -7.046 1.00 1.08 O ATOM 2114 CB GLU A 129 -2.059 14.909 -8.297 1.00 1.21 C ATOM 2115 CG GLU A 129 -1.681 15.208 -9.759 1.00 1.28 C ATOM 2116 CD GLU A 129 -1.915 16.691 -10.071 1.00 1.30 C ATOM 2117 OE1 GLU A 129 -1.074 17.493 -9.701 1.00 1.32 O ATOM 2118 OE2 GLU A 129 -2.930 16.996 -10.674 1.00 1.30 O ATOM 2119 OXT GLU A 129 -2.478 13.450 -5.782 1.00 1.08 O ATOM 0 H GLU A 129 -1.454 13.127 -9.856 1.00 1.19 H new ATOM 0 HA GLU A 129 -0.366 13.971 -7.327 1.00 1.17 H new ATOM 0 HB2 GLU A 129 -3.133 14.742 -8.214 1.00 1.21 H new ATOM 0 HB3 GLU A 129 -1.820 15.765 -7.665 1.00 1.21 H new ATOM 0 HG2 GLU A 129 -0.636 14.953 -9.932 1.00 1.28 H new ATOM 0 HG3 GLU A 129 -2.276 14.589 -10.431 1.00 1.28 H new TER 2126 GLU A 129 ATOM 2127 N ASP B 1 22.457 0.567 -3.694 1.00 8.77 N ATOM 2128 CA ASP B 1 20.978 0.548 -3.872 1.00 7.64 C ATOM 2129 C ASP B 1 20.311 1.224 -2.673 1.00 6.39 C ATOM 2130 O ASP B 1 19.469 2.086 -2.825 1.00 5.37 O ATOM 2131 CB ASP B 1 20.496 -0.900 -3.979 1.00 8.05 C ATOM 2132 CG ASP B 1 19.017 -0.921 -4.369 1.00 9.22 C ATOM 2133 OD1 ASP B 1 18.597 -0.015 -5.070 1.00 10.03 O ATOM 2134 OD2 ASP B 1 18.330 -1.842 -3.961 1.00 9.45 O ATOM 0 H1 ASP B 1 22.915 0.216 -4.559 1.00 8.77 H new ATOM 0 H2 ASP B 1 22.772 1.540 -3.506 1.00 8.77 H new ATOM 0 H3 ASP B 1 22.718 -0.042 -2.893 1.00 8.77 H new ATOM 0 HA ASP B 1 20.714 1.085 -4.783 1.00 7.64 H new ATOM 0 HB2 ASP B 1 21.086 -1.436 -4.722 1.00 8.05 H new ATOM 0 HB3 ASP B 1 20.639 -1.413 -3.028 1.00 8.05 H new ATOM 2141 N LEU B 2 20.676 0.839 -1.479 1.00 6.54 N ATOM 2142 CA LEU B 2 20.055 1.464 -0.277 1.00 5.60 C ATOM 2143 C LEU B 2 20.110 2.990 -0.413 1.00 4.68 C ATOM 2144 O LEU B 2 19.275 3.704 0.110 1.00 3.60 O ATOM 2145 CB LEU B 2 20.810 1.019 0.998 1.00 6.47 C ATOM 2146 CG LEU B 2 21.427 -0.386 0.794 1.00 7.32 C ATOM 2147 CD1 LEU B 2 22.845 -0.261 0.208 1.00 8.33 C ATOM 2148 CD2 LEU B 2 21.503 -1.121 2.143 1.00 6.54 C ATOM 0 H LEU B 2 21.375 0.122 -1.285 1.00 6.54 H new ATOM 0 HA LEU B 2 19.016 1.145 -0.198 1.00 5.60 H new ATOM 0 HB2 LEU B 2 21.595 1.738 1.234 1.00 6.47 H new ATOM 0 HB3 LEU B 2 20.127 1.004 1.847 1.00 6.47 H new ATOM 0 HG LEU B 2 20.798 -0.948 0.103 1.00 7.32 H new ATOM 0 HD11 LEU B 2 23.270 -1.255 0.068 1.00 8.33 H new ATOM 0 HD12 LEU B 2 22.798 0.252 -0.753 1.00 8.33 H new ATOM 0 HD13 LEU B 2 23.473 0.309 0.893 1.00 8.33 H new ATOM 0 HD21 LEU B 2 21.938 -2.109 1.995 1.00 6.54 H new ATOM 0 HD22 LEU B 2 22.125 -0.551 2.833 1.00 6.54 H new ATOM 0 HD23 LEU B 2 20.500 -1.224 2.558 1.00 6.54 H new ATOM 2160 N ASP B 3 21.090 3.495 -1.109 1.00 5.20 N ATOM 2161 CA ASP B 3 21.201 4.970 -1.272 1.00 4.64 C ATOM 2162 C ASP B 3 20.148 5.461 -2.267 1.00 3.51 C ATOM 2163 O ASP B 3 19.590 6.528 -2.114 1.00 2.74 O ATOM 2164 CB ASP B 3 22.598 5.325 -1.787 1.00 5.61 C ATOM 2165 CG ASP B 3 22.788 6.842 -1.736 1.00 6.82 C ATOM 2166 OD1 ASP B 3 21.791 7.544 -1.759 1.00 6.92 O ATOM 2167 OD2 ASP B 3 23.927 7.275 -1.672 1.00 7.61 O ATOM 0 H ASP B 3 21.818 2.950 -1.571 1.00 5.20 H new ATOM 0 HA ASP B 3 21.037 5.452 -0.308 1.00 4.64 H new ATOM 0 HB2 ASP B 3 23.357 4.832 -1.180 1.00 5.61 H new ATOM 0 HB3 ASP B 3 22.723 4.966 -2.808 1.00 5.61 H new ATOM 2172 N ALA B 4 19.869 4.695 -3.286 1.00 3.85 N ATOM 2173 CA ALA B 4 18.850 5.128 -4.284 1.00 3.42 C ATOM 2174 C ALA B 4 17.479 5.212 -3.608 1.00 2.89 C ATOM 2175 O ALA B 4 16.699 6.106 -3.872 1.00 2.66 O ATOM 2176 CB ALA B 4 18.793 4.114 -5.429 1.00 4.60 C ATOM 0 H ALA B 4 20.302 3.790 -3.471 1.00 3.85 H new ATOM 0 HA ALA B 4 19.122 6.107 -4.680 1.00 3.42 H new ATOM 0 HB1 ALA B 4 18.048 4.431 -6.159 1.00 4.60 H new ATOM 0 HB2 ALA B 4 19.769 4.053 -5.910 1.00 4.60 H new ATOM 0 HB3 ALA B 4 18.521 3.135 -5.035 1.00 4.60 H new ATOM 2182 N LEU B 5 17.181 4.288 -2.735 1.00 3.21 N ATOM 2183 CA LEU B 5 15.865 4.309 -2.042 1.00 2.91 C ATOM 2184 C LEU B 5 15.780 5.553 -1.151 1.00 1.92 C ATOM 2185 O LEU B 5 14.811 6.286 -1.183 1.00 2.42 O ATOM 2186 CB LEU B 5 15.740 3.040 -1.183 1.00 3.33 C ATOM 2187 CG LEU B 5 15.278 1.848 -2.052 1.00 4.74 C ATOM 2188 CD1 LEU B 5 15.765 0.533 -1.430 1.00 5.26 C ATOM 2189 CD2 LEU B 5 13.744 1.824 -2.138 1.00 5.44 C ATOM 0 H LEU B 5 17.796 3.518 -2.472 1.00 3.21 H new ATOM 0 HA LEU B 5 15.056 4.339 -2.772 1.00 2.91 H new ATOM 0 HB2 LEU B 5 16.699 2.811 -0.719 1.00 3.33 H new ATOM 0 HB3 LEU B 5 15.028 3.208 -0.375 1.00 3.33 H new ATOM 0 HG LEU B 5 15.697 1.960 -3.052 1.00 4.74 H new ATOM 0 HD11 LEU B 5 15.437 -0.304 -2.046 1.00 5.26 H new ATOM 0 HD12 LEU B 5 16.854 0.538 -1.374 1.00 5.26 H new ATOM 0 HD13 LEU B 5 15.351 0.430 -0.427 1.00 5.26 H new ATOM 0 HD21 LEU B 5 13.427 0.981 -2.752 1.00 5.44 H new ATOM 0 HD22 LEU B 5 13.325 1.721 -1.137 1.00 5.44 H new ATOM 0 HD23 LEU B 5 13.390 2.753 -2.586 1.00 5.44 H new ATOM 2201 N LEU B 6 16.785 5.798 -0.355 1.00 1.59 N ATOM 2202 CA LEU B 6 16.753 6.994 0.534 1.00 2.01 C ATOM 2203 C LEU B 6 16.594 8.250 -0.327 1.00 2.52 C ATOM 2204 O LEU B 6 15.800 9.120 -0.033 1.00 3.51 O ATOM 2205 CB LEU B 6 18.064 7.052 1.341 1.00 2.97 C ATOM 2206 CG LEU B 6 18.148 8.326 2.217 1.00 3.38 C ATOM 2207 CD1 LEU B 6 18.456 9.583 1.367 1.00 4.76 C ATOM 2208 CD2 LEU B 6 16.833 8.521 2.988 1.00 3.25 C ATOM 0 H LEU B 6 17.625 5.223 -0.282 1.00 1.59 H new ATOM 0 HA LEU B 6 15.914 6.933 1.227 1.00 2.01 H new ATOM 0 HB2 LEU B 6 18.138 6.169 1.976 1.00 2.97 H new ATOM 0 HB3 LEU B 6 18.912 7.025 0.657 1.00 2.97 H new ATOM 0 HG LEU B 6 18.967 8.192 2.923 1.00 3.38 H new ATOM 0 HD11 LEU B 6 18.507 10.457 2.016 1.00 4.76 H new ATOM 0 HD12 LEU B 6 19.411 9.453 0.857 1.00 4.76 H new ATOM 0 HD13 LEU B 6 17.667 9.725 0.628 1.00 4.76 H new ATOM 0 HD21 LEU B 6 16.901 9.419 3.602 1.00 3.25 H new ATOM 0 HD22 LEU B 6 16.009 8.625 2.282 1.00 3.25 H new ATOM 0 HD23 LEU B 6 16.655 7.657 3.628 1.00 3.25 H new ATOM 2220 N ALA B 7 17.341 8.348 -1.393 1.00 2.20 N ATOM 2221 CA ALA B 7 17.231 9.543 -2.276 1.00 2.86 C ATOM 2222 C ALA B 7 15.771 9.734 -2.692 1.00 3.63 C ATOM 2223 O ALA B 7 15.260 10.836 -2.710 1.00 4.63 O ATOM 2224 CB ALA B 7 18.092 9.336 -3.524 1.00 2.54 C ATOM 0 H ALA B 7 18.024 7.651 -1.690 1.00 2.20 H new ATOM 0 HA ALA B 7 17.576 10.426 -1.738 1.00 2.86 H new ATOM 0 HB1 ALA B 7 18.012 10.210 -4.170 1.00 2.54 H new ATOM 0 HB2 ALA B 7 19.132 9.197 -3.229 1.00 2.54 H new ATOM 0 HB3 ALA B 7 17.746 8.454 -4.062 1.00 2.54 H new ATOM 2230 N ASP B 8 15.095 8.668 -3.025 1.00 3.56 N ATOM 2231 CA ASP B 8 13.669 8.789 -3.438 1.00 4.78 C ATOM 2232 C ASP B 8 12.878 9.471 -2.320 1.00 5.44 C ATOM 2233 O ASP B 8 12.139 10.408 -2.551 1.00 6.57 O ATOM 2234 CB ASP B 8 13.091 7.396 -3.699 1.00 5.06 C ATOM 2235 CG ASP B 8 11.614 7.517 -4.078 1.00 5.28 C ATOM 2236 OD1 ASP B 8 10.838 7.931 -3.232 1.00 5.19 O ATOM 2237 OD2 ASP B 8 11.283 7.192 -5.206 1.00 5.79 O ATOM 0 H ASP B 8 15.469 7.719 -3.029 1.00 3.56 H new ATOM 0 HA ASP B 8 13.601 9.383 -4.350 1.00 4.78 H new ATOM 0 HB2 ASP B 8 13.644 6.906 -4.501 1.00 5.06 H new ATOM 0 HB3 ASP B 8 13.199 6.774 -2.811 1.00 5.06 H new ATOM 2242 N LEU B 9 13.032 9.013 -1.107 1.00 4.79 N ATOM 2243 CA LEU B 9 12.293 9.642 0.023 1.00 5.50 C ATOM 2244 C LEU B 9 12.639 11.133 0.072 1.00 6.37 C ATOM 2245 O LEU B 9 11.776 11.985 -0.009 1.00 7.54 O ATOM 2246 CB LEU B 9 12.705 8.965 1.338 1.00 4.72 C ATOM 2247 CG LEU B 9 12.167 9.750 2.542 1.00 3.99 C ATOM 2248 CD1 LEU B 9 10.674 10.046 2.355 1.00 3.18 C ATOM 2249 CD2 LEU B 9 12.363 8.915 3.811 1.00 4.98 C ATOM 0 H LEU B 9 13.636 8.232 -0.851 1.00 4.79 H new ATOM 0 HA LEU B 9 11.219 9.522 -0.118 1.00 5.50 H new ATOM 0 HB2 LEU B 9 12.323 7.944 1.363 1.00 4.72 H new ATOM 0 HB3 LEU B 9 13.792 8.901 1.395 1.00 4.72 H new ATOM 0 HG LEU B 9 12.707 10.693 2.627 1.00 3.99 H new ATOM 0 HD11 LEU B 9 10.303 10.603 3.215 1.00 3.18 H new ATOM 0 HD12 LEU B 9 10.531 10.637 1.450 1.00 3.18 H new ATOM 0 HD13 LEU B 9 10.125 9.108 2.266 1.00 3.18 H new ATOM 0 HD21 LEU B 9 11.983 9.466 4.671 1.00 4.98 H new ATOM 0 HD22 LEU B 9 11.821 7.974 3.715 1.00 4.98 H new ATOM 0 HD23 LEU B 9 13.424 8.710 3.951 1.00 4.98 H new ATOM 2261 N GLU B 10 13.898 11.452 0.195 1.00 5.97 N ATOM 2262 CA GLU B 10 14.331 12.834 0.243 1.00 6.96 C ATOM 2263 C GLU B 10 14.026 13.511 -1.100 1.00 7.65 C ATOM 2264 O GLU B 10 14.634 14.532 -1.378 1.00 8.69 O ATOM 2265 CB GLU B 10 15.835 12.754 0.486 1.00 6.57 C ATOM 2266 CG GLU B 10 16.145 12.660 1.986 1.00 6.56 C ATOM 2267 CD GLU B 10 17.624 12.972 2.225 1.00 6.60 C ATOM 2268 OE1 GLU B 10 18.310 13.270 1.261 1.00 7.16 O ATOM 2269 OE2 GLU B 10 18.045 12.909 3.368 1.00 6.36 O ATOM 2270 OXT GLU B 10 13.190 12.996 -1.825 1.00 7.20 O ATOM 0 H GLU B 10 14.654 10.771 0.265 1.00 5.97 H new ATOM 0 HA GLU B 10 13.828 13.416 1.015 1.00 6.96 H new ATOM 0 HB2 GLU B 10 16.245 11.885 -0.029 1.00 6.57 H new ATOM 0 HB3 GLU B 10 16.322 13.633 0.065 1.00 6.57 H new ATOM 0 HG2 GLU B 10 15.521 13.360 2.541 1.00 6.56 H new ATOM 0 HG3 GLU B 10 15.909 11.662 2.354 1.00 6.56 H new TER 2277 GLU B 10