USER MOD reduce.3.24.130724 H: found=0, std=0, add=995, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 996 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 48 SER OG : rot 175:sc= 1.01 USER MOD Set 1.2: A 66 HIS : no HE2:sc= -0.73 K(o=0.28,f=-8.2!) USER MOD Set 2.1: A 57 GLN : amide:sc= -2.68! C(o=-1.7!,f=-3.9!) USER MOD Set 2.2: A 58 ASN : amide:sc= 1.02 K(o=-1.7,f=-6.4!) USER MOD Set 3.1: A 42 MET CE :methyl 168:sc= -0.0345 (180deg=-0.275) USER MOD Set 3.2: A 76 THR OG1 : rot 94:sc= 1.29 USER MOD Single : A 1 GLN :FLIP amide:sc= -1.27 F(o=-3.3!,f=-1.3) USER MOD Single : A 1 GLN N :NH3+ 166:sc= -0.0604 (180deg=-0.627) USER MOD Single : A 3 GLN :FLIP amide:sc= -2.45 F(o=-3.6!,f=-2.4) USER MOD Single : A 5 LYS NZ :NH3+ -152:sc= -0.201 (180deg=-0.768) USER MOD Single : A 7 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ -127:sc= 1.09 (180deg=-0.19) USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 ASN : amide:sc= -0.0933 X(o=-0.093,f=-0.39) USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 LYS NZ :NH3+ 170:sc= 1.23 (180deg=1.13) USER MOD Single : A 32 GLN : amide:sc= -0.333 X(o=-0.33,f=-0.21) USER MOD Single : A 37 THR OG1 : rot -48:sc= 1.17 USER MOD Single : A 39 CYS SG : rot -53:sc= -8.07! USER MOD Single : A 40 LYS NZ :NH3+ -114:sc= 1.07 (180deg=0.475) USER MOD Single : A 46 LYS NZ :NH3+ 154:sc= 1.25 (180deg=1.17) USER MOD Single : A 49 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 LYS NZ :NH3+ -120:sc= -0.093 (180deg=-1.71!) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 LYS NZ :NH3+ -124:sc= 0.362 (180deg=0.0258) USER MOD Single : A 63 ASN : amide:sc= -1.46 K(o=-1.5,f=-2.6!) USER MOD Single : A 68 ASN :FLIP amide:sc= -0.781 F(o=-1.7,f=-0.78) USER MOD Single : A 72 HIS : no HE2:sc= -2.5! C(o=-2.5!,f=-7.5!) USER MOD Single : A 81 GLN :FLIP amide:sc= -0.174 F(o=-1!,f=-0.17) USER MOD Single : A 82 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 87 LYS NZ :NH3+ 172:sc= 0.381 (180deg=0.0707) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 LYS NZ :NH3+ 167:sc= 0.908 (180deg=0.531) USER MOD Single : A 97 LYS NZ :NH3+ -171:sc=-0.00983 (180deg=-0.101) USER MOD Single : A 108 SER OG : rot 7:sc= 0.238 USER MOD Single : A 110 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0195) USER MOD Single : A 111 LYS NZ :NH3+ -174:sc=-0.00256 (180deg=-0.106) USER MOD Single : A 112 MET CE :methyl 162:sc= -0.0783 (180deg=-0.54) USER MOD Single : A 113 LYS NZ :NH3+ 151:sc= -0.21 (180deg=-0.922) USER MOD Single : A 115 MET CE :methyl -152:sc= -0.322 (180deg=-1.44) USER MOD Single : A 121 ASN : amide:sc= -0.412 X(o=-0.41,f=-0.65) USER MOD ----------------------------------------------------------------- ATOM 1 N GLN A 1 -11.450 14.489 -10.874 1.00 0.76 N ATOM 2 CA GLN A 1 -10.169 14.727 -10.172 1.00 0.55 C ATOM 3 C GLN A 1 -9.059 13.916 -10.814 1.00 0.49 C ATOM 4 O GLN A 1 -9.270 13.264 -11.836 1.00 0.60 O ATOM 5 CB GLN A 1 -10.280 14.358 -8.683 1.00 0.52 C ATOM 6 CG GLN A 1 -10.233 12.884 -8.352 1.00 0.69 C ATOM 7 CD GLN A 1 -11.347 12.096 -8.979 1.00 0.71 C ATOM 8 OE1 GLN A 1 -11.096 11.600 -10.165 1.00 1.40 O flip ATOM 9 NE2 GLN A 1 -12.417 11.930 -8.399 1.00 0.88 N flip ATOM 0 H1 GLN A 1 -12.235 14.851 -10.296 1.00 0.76 H new ATOM 0 H2 GLN A 1 -11.440 14.980 -11.791 1.00 0.76 H new ATOM 0 H3 GLN A 1 -11.577 13.468 -11.029 1.00 0.76 H new ATOM 0 HA GLN A 1 -9.935 15.789 -10.252 1.00 0.55 H new ATOM 0 HB2 GLN A 1 -9.472 14.855 -8.146 1.00 0.52 H new ATOM 0 HB3 GLN A 1 -11.215 14.765 -8.299 1.00 0.52 H new ATOM 0 HG2 GLN A 1 -9.278 12.475 -8.683 1.00 0.69 H new ATOM 0 HG3 GLN A 1 -10.275 12.761 -7.270 1.00 0.69 H new ATOM 0 HE21 GLN A 1 -12.565 12.337 -7.475 1.00 0.88 H new ATOM 0 HE22 GLN A 1 -13.158 11.385 -8.841 1.00 0.88 H new ATOM 20 N LEU A 2 -7.889 13.923 -10.199 1.00 0.39 N ATOM 21 CA LEU A 2 -6.809 13.089 -10.678 1.00 0.36 C ATOM 22 C LEU A 2 -6.657 11.922 -9.719 1.00 0.26 C ATOM 23 O LEU A 2 -6.728 12.098 -8.497 1.00 0.27 O ATOM 24 CB LEU A 2 -5.498 13.891 -10.833 1.00 0.48 C ATOM 25 CG LEU A 2 -4.722 14.216 -9.553 1.00 0.85 C ATOM 26 CD1 LEU A 2 -3.763 13.091 -9.189 1.00 1.45 C ATOM 27 CD2 LEU A 2 -3.962 15.520 -9.718 1.00 1.32 C ATOM 0 H LEU A 2 -7.668 14.489 -9.380 1.00 0.39 H new ATOM 0 HA LEU A 2 -7.042 12.711 -11.674 1.00 0.36 H new ATOM 0 HB2 LEU A 2 -4.837 13.333 -11.497 1.00 0.48 H new ATOM 0 HB3 LEU A 2 -5.733 14.830 -11.333 1.00 0.48 H new ATOM 0 HG LEU A 2 -5.441 14.322 -8.740 1.00 0.85 H new ATOM 0 HD11 LEU A 2 -3.227 13.351 -8.276 1.00 1.45 H new ATOM 0 HD12 LEU A 2 -4.325 12.171 -9.030 1.00 1.45 H new ATOM 0 HD13 LEU A 2 -3.049 12.945 -10.000 1.00 1.45 H new ATOM 0 HD21 LEU A 2 -3.414 15.740 -8.802 1.00 1.32 H new ATOM 0 HD22 LEU A 2 -3.260 15.430 -10.547 1.00 1.32 H new ATOM 0 HD23 LEU A 2 -4.665 16.327 -9.924 1.00 1.32 H new ATOM 39 N GLN A 3 -6.518 10.730 -10.265 1.00 0.24 N ATOM 40 CA GLN A 3 -6.355 9.547 -9.446 1.00 0.22 C ATOM 41 C GLN A 3 -5.025 8.897 -9.753 1.00 0.22 C ATOM 42 O GLN A 3 -4.676 8.714 -10.917 1.00 0.25 O ATOM 43 CB GLN A 3 -7.468 8.530 -9.710 1.00 0.24 C ATOM 44 CG GLN A 3 -8.872 9.110 -9.774 1.00 0.26 C ATOM 45 CD GLN A 3 -9.945 8.051 -9.586 1.00 0.26 C ATOM 46 OE1 GLN A 3 -9.629 6.815 -9.925 1.00 0.33 O flip ATOM 47 NE2 GLN A 3 -11.046 8.338 -9.122 1.00 0.25 N flip ATOM 0 H GLN A 3 -6.515 10.556 -11.270 1.00 0.24 H new ATOM 0 HA GLN A 3 -6.399 9.855 -8.401 1.00 0.22 H new ATOM 0 HB2 GLN A 3 -7.259 8.022 -10.651 1.00 0.24 H new ATOM 0 HB3 GLN A 3 -7.440 7.773 -8.926 1.00 0.24 H new ATOM 0 HG2 GLN A 3 -8.982 9.875 -9.005 1.00 0.26 H new ATOM 0 HG3 GLN A 3 -9.015 9.602 -10.736 1.00 0.26 H new ATOM 0 HE21 GLN A 3 -11.257 9.304 -8.870 1.00 0.25 H new ATOM 0 HE22 GLN A 3 -11.748 7.611 -8.988 1.00 0.25 H new ATOM 56 N GLU A 4 -4.288 8.543 -8.722 1.00 0.22 N ATOM 57 CA GLU A 4 -3.062 7.798 -8.911 1.00 0.25 C ATOM 58 C GLU A 4 -3.196 6.458 -8.219 1.00 0.23 C ATOM 59 O GLU A 4 -3.424 6.390 -7.010 1.00 0.27 O ATOM 60 CB GLU A 4 -1.855 8.567 -8.376 1.00 0.30 C ATOM 61 CG GLU A 4 -1.959 10.066 -8.584 1.00 0.28 C ATOM 62 CD GLU A 4 -0.606 10.735 -8.715 1.00 0.51 C ATOM 63 OE1 GLU A 4 0.218 10.593 -7.788 1.00 0.75 O ATOM 64 OE2 GLU A 4 -0.361 11.414 -9.733 1.00 0.88 O ATOM 0 H GLU A 4 -4.514 8.757 -7.751 1.00 0.22 H new ATOM 0 HA GLU A 4 -2.896 7.647 -9.978 1.00 0.25 H new ATOM 0 HB2 GLU A 4 -1.745 8.362 -7.311 1.00 0.30 H new ATOM 0 HB3 GLU A 4 -0.953 8.201 -8.866 1.00 0.30 H new ATOM 0 HG2 GLU A 4 -2.546 10.264 -9.481 1.00 0.28 H new ATOM 0 HG3 GLU A 4 -2.498 10.508 -7.746 1.00 0.28 H new ATOM 71 N LYS A 5 -3.086 5.393 -8.990 1.00 0.24 N ATOM 72 CA LYS A 5 -3.272 4.063 -8.450 1.00 0.25 C ATOM 73 C LYS A 5 -1.931 3.404 -8.291 1.00 0.25 C ATOM 74 O LYS A 5 -1.188 3.233 -9.257 1.00 0.30 O ATOM 75 CB LYS A 5 -4.143 3.156 -9.331 1.00 0.30 C ATOM 76 CG LYS A 5 -5.191 3.859 -10.183 1.00 0.40 C ATOM 77 CD LYS A 5 -4.569 4.592 -11.363 1.00 0.66 C ATOM 78 CE LYS A 5 -5.479 4.594 -12.581 1.00 1.21 C ATOM 79 NZ LYS A 5 -5.774 3.216 -13.061 1.00 1.43 N ATOM 0 H LYS A 5 -2.870 5.424 -9.986 1.00 0.24 H new ATOM 0 HA LYS A 5 -3.786 4.188 -7.497 1.00 0.25 H new ATOM 0 HB2 LYS A 5 -3.488 2.588 -9.992 1.00 0.30 H new ATOM 0 HB3 LYS A 5 -4.650 2.436 -8.688 1.00 0.30 H new ATOM 0 HG2 LYS A 5 -5.911 3.127 -10.550 1.00 0.40 H new ATOM 0 HG3 LYS A 5 -5.743 4.568 -9.566 1.00 0.40 H new ATOM 0 HD2 LYS A 5 -4.348 5.620 -11.075 1.00 0.66 H new ATOM 0 HD3 LYS A 5 -3.620 4.122 -11.621 1.00 0.66 H new ATOM 0 HE2 LYS A 5 -6.413 5.099 -12.335 1.00 1.21 H new ATOM 0 HE3 LYS A 5 -5.010 5.164 -13.383 1.00 1.21 H new ATOM 0 HZ1 LYS A 5 -5.964 3.238 -14.083 1.00 1.43 H new ATOM 0 HZ2 LYS A 5 -4.957 2.601 -12.873 1.00 1.43 H new ATOM 0 HZ3 LYS A 5 -6.608 2.846 -12.562 1.00 1.43 H new ATOM 93 N LEU A 6 -1.633 3.036 -7.078 1.00 0.23 N ATOM 94 CA LEU A 6 -0.401 2.368 -6.774 1.00 0.25 C ATOM 95 C LEU A 6 -0.720 0.927 -6.413 1.00 0.24 C ATOM 96 O LEU A 6 -1.173 0.631 -5.305 1.00 0.24 O ATOM 97 CB LEU A 6 0.287 3.120 -5.642 1.00 0.26 C ATOM 98 CG LEU A 6 0.284 4.642 -5.838 1.00 0.27 C ATOM 99 CD1 LEU A 6 0.659 5.355 -4.555 1.00 0.32 C ATOM 100 CD2 LEU A 6 1.229 5.037 -6.966 1.00 0.30 C ATOM 0 H LEU A 6 -2.238 3.191 -6.272 1.00 0.23 H new ATOM 0 HA LEU A 6 0.281 2.356 -7.624 1.00 0.25 H new ATOM 0 HB2 LEU A 6 -0.209 2.880 -4.701 1.00 0.26 H new ATOM 0 HB3 LEU A 6 1.317 2.773 -5.557 1.00 0.26 H new ATOM 0 HG LEU A 6 -0.727 4.946 -6.110 1.00 0.27 H new ATOM 0 HD11 LEU A 6 0.649 6.432 -4.721 1.00 0.32 H new ATOM 0 HD12 LEU A 6 -0.059 5.102 -3.775 1.00 0.32 H new ATOM 0 HD13 LEU A 6 1.657 5.045 -4.245 1.00 0.32 H new ATOM 0 HD21 LEU A 6 1.214 6.120 -7.091 1.00 0.30 H new ATOM 0 HD22 LEU A 6 2.241 4.714 -6.723 1.00 0.30 H new ATOM 0 HD23 LEU A 6 0.909 4.560 -7.893 1.00 0.30 H new ATOM 112 N TYR A 7 -0.542 0.048 -7.384 1.00 0.27 N ATOM 113 CA TYR A 7 -0.982 -1.331 -7.265 1.00 0.27 C ATOM 114 C TYR A 7 -0.138 -2.113 -6.284 1.00 0.29 C ATOM 115 O TYR A 7 1.069 -1.886 -6.149 1.00 0.38 O ATOM 116 CB TYR A 7 -0.957 -2.028 -8.623 1.00 0.32 C ATOM 117 CG TYR A 7 -2.281 -2.009 -9.344 1.00 0.35 C ATOM 118 CD1 TYR A 7 -2.708 -0.880 -10.029 1.00 0.47 C ATOM 119 CD2 TYR A 7 -3.105 -3.125 -9.337 1.00 0.36 C ATOM 120 CE1 TYR A 7 -3.919 -0.865 -10.692 1.00 0.57 C ATOM 121 CE2 TYR A 7 -4.318 -3.119 -9.999 1.00 0.46 C ATOM 122 CZ TYR A 7 -4.721 -1.986 -10.674 1.00 0.56 C ATOM 123 OH TYR A 7 -5.932 -1.970 -11.333 1.00 0.69 O ATOM 0 H TYR A 7 -0.091 0.268 -8.272 1.00 0.27 H new ATOM 0 HA TYR A 7 -2.005 -1.303 -6.889 1.00 0.27 H new ATOM 0 HB2 TYR A 7 -0.205 -1.551 -9.252 1.00 0.32 H new ATOM 0 HB3 TYR A 7 -0.645 -3.063 -8.483 1.00 0.32 H new ATOM 0 HD1 TYR A 7 -2.083 0.001 -10.044 1.00 0.47 H new ATOM 0 HD2 TYR A 7 -2.794 -4.012 -8.806 1.00 0.36 H new ATOM 0 HE1 TYR A 7 -4.236 0.021 -11.222 1.00 0.57 H new ATOM 0 HE2 TYR A 7 -4.947 -3.997 -9.988 1.00 0.46 H new ATOM 0 HH TYR A 7 -6.375 -2.837 -11.225 1.00 0.69 H new ATOM 133 N VAL A 8 -0.791 -3.024 -5.597 1.00 0.24 N ATOM 134 CA VAL A 8 -0.121 -3.941 -4.716 1.00 0.26 C ATOM 135 C VAL A 8 -0.857 -5.282 -4.766 1.00 0.26 C ATOM 136 O VAL A 8 -1.977 -5.421 -4.290 1.00 0.26 O ATOM 137 CB VAL A 8 -0.061 -3.341 -3.295 1.00 0.36 C ATOM 138 CG1 VAL A 8 -1.449 -3.136 -2.700 1.00 1.12 C ATOM 139 CG2 VAL A 8 0.813 -4.189 -2.410 1.00 1.27 C ATOM 0 H VAL A 8 -1.803 -3.146 -5.637 1.00 0.24 H new ATOM 0 HA VAL A 8 0.909 -4.112 -5.028 1.00 0.26 H new ATOM 0 HB VAL A 8 0.387 -2.350 -3.365 1.00 0.36 H new ATOM 0 HG11 VAL A 8 -1.357 -2.712 -1.700 1.00 1.12 H new ATOM 0 HG12 VAL A 8 -2.019 -2.455 -3.332 1.00 1.12 H new ATOM 0 HG13 VAL A 8 -1.965 -4.094 -2.642 1.00 1.12 H new ATOM 0 HG21 VAL A 8 0.848 -3.756 -1.410 1.00 1.27 H new ATOM 0 HG22 VAL A 8 0.404 -5.198 -2.354 1.00 1.27 H new ATOM 0 HG23 VAL A 8 1.821 -4.228 -2.824 1.00 1.27 H new ATOM 149 N PRO A 9 -0.221 -6.300 -5.343 1.00 0.32 N ATOM 150 CA PRO A 9 -0.918 -7.513 -5.738 1.00 0.37 C ATOM 151 C PRO A 9 -1.256 -8.414 -4.555 1.00 0.34 C ATOM 152 O PRO A 9 -0.417 -9.152 -4.042 1.00 0.35 O ATOM 153 CB PRO A 9 0.062 -8.169 -6.702 1.00 0.44 C ATOM 154 CG PRO A 9 1.406 -7.735 -6.237 1.00 0.43 C ATOM 155 CD PRO A 9 1.222 -6.362 -5.638 1.00 0.39 C ATOM 0 HA PRO A 9 -1.891 -7.311 -6.186 1.00 0.37 H new ATOM 0 HB2 PRO A 9 -0.031 -9.255 -6.682 1.00 0.44 H new ATOM 0 HB3 PRO A 9 -0.122 -7.852 -7.729 1.00 0.44 H new ATOM 0 HG2 PRO A 9 1.806 -8.431 -5.500 1.00 0.43 H new ATOM 0 HG3 PRO A 9 2.114 -7.707 -7.065 1.00 0.43 H new ATOM 0 HD2 PRO A 9 1.821 -6.235 -4.736 1.00 0.39 H new ATOM 0 HD3 PRO A 9 1.523 -5.578 -6.333 1.00 0.39 H new ATOM 163 N VAL A 10 -2.504 -8.340 -4.131 1.00 0.34 N ATOM 164 CA VAL A 10 -2.958 -9.053 -2.948 1.00 0.36 C ATOM 165 C VAL A 10 -3.051 -10.552 -3.204 1.00 0.43 C ATOM 166 O VAL A 10 -2.984 -11.358 -2.278 1.00 0.47 O ATOM 167 CB VAL A 10 -4.322 -8.515 -2.480 1.00 0.42 C ATOM 168 CG1 VAL A 10 -5.448 -8.959 -3.404 1.00 0.51 C ATOM 169 CG2 VAL A 10 -4.595 -8.909 -1.037 1.00 0.52 C ATOM 0 H VAL A 10 -3.228 -7.789 -4.592 1.00 0.34 H new ATOM 0 HA VAL A 10 -2.221 -8.886 -2.162 1.00 0.36 H new ATOM 0 HB VAL A 10 -4.282 -7.427 -2.526 1.00 0.42 H new ATOM 0 HG11 VAL A 10 -6.395 -8.560 -3.041 1.00 0.51 H new ATOM 0 HG12 VAL A 10 -5.260 -8.588 -4.411 1.00 0.51 H new ATOM 0 HG13 VAL A 10 -5.496 -10.048 -3.422 1.00 0.51 H new ATOM 0 HG21 VAL A 10 -5.565 -8.517 -0.730 1.00 0.52 H new ATOM 0 HG22 VAL A 10 -4.599 -9.996 -0.951 1.00 0.52 H new ATOM 0 HG23 VAL A 10 -3.817 -8.497 -0.394 1.00 0.52 H new ATOM 179 N LYS A 11 -3.209 -10.923 -4.465 1.00 0.49 N ATOM 180 CA LYS A 11 -3.253 -12.332 -4.834 1.00 0.58 C ATOM 181 C LYS A 11 -1.849 -12.893 -4.757 1.00 0.53 C ATOM 182 O LYS A 11 -1.636 -14.082 -4.512 1.00 0.60 O ATOM 183 CB LYS A 11 -3.820 -12.531 -6.242 1.00 0.72 C ATOM 184 CG LYS A 11 -5.192 -11.915 -6.448 1.00 1.27 C ATOM 185 CD LYS A 11 -5.795 -12.361 -7.768 1.00 1.76 C ATOM 186 CE LYS A 11 -4.901 -12.007 -8.949 1.00 2.24 C ATOM 187 NZ LYS A 11 -4.719 -10.539 -9.100 1.00 2.93 N ATOM 0 H LYS A 11 -3.308 -10.275 -5.246 1.00 0.49 H new ATOM 0 HA LYS A 11 -3.913 -12.856 -4.142 1.00 0.58 H new ATOM 0 HB2 LYS A 11 -3.128 -12.101 -6.966 1.00 0.72 H new ATOM 0 HB3 LYS A 11 -3.877 -13.599 -6.452 1.00 0.72 H new ATOM 0 HG2 LYS A 11 -5.850 -12.202 -5.628 1.00 1.27 H new ATOM 0 HG3 LYS A 11 -5.113 -10.828 -6.429 1.00 1.27 H new ATOM 0 HD2 LYS A 11 -5.959 -13.438 -7.747 1.00 1.76 H new ATOM 0 HD3 LYS A 11 -6.771 -11.893 -7.898 1.00 1.76 H new ATOM 0 HE2 LYS A 11 -3.928 -12.480 -8.819 1.00 2.24 H new ATOM 0 HE3 LYS A 11 -5.333 -12.413 -9.863 1.00 2.24 H new ATOM 0 HZ1 LYS A 11 -4.960 -10.257 -10.072 1.00 2.93 H new ATOM 0 HZ2 LYS A 11 -5.341 -10.041 -8.431 1.00 2.93 H new ATOM 0 HZ3 LYS A 11 -3.729 -10.290 -8.903 1.00 2.93 H new ATOM 201 N GLU A 12 -0.896 -11.996 -4.956 1.00 0.45 N ATOM 202 CA GLU A 12 0.507 -12.333 -4.935 1.00 0.44 C ATOM 203 C GLU A 12 0.984 -12.519 -3.508 1.00 0.39 C ATOM 204 O GLU A 12 1.924 -13.270 -3.242 1.00 0.43 O ATOM 205 CB GLU A 12 1.300 -11.245 -5.629 1.00 0.46 C ATOM 206 CG GLU A 12 0.998 -11.153 -7.117 1.00 0.60 C ATOM 207 CD GLU A 12 1.112 -12.482 -7.826 1.00 0.77 C ATOM 208 OE1 GLU A 12 2.229 -12.846 -8.242 1.00 0.97 O ATOM 209 OE2 GLU A 12 0.086 -13.177 -7.960 1.00 0.96 O ATOM 0 H GLU A 12 -1.082 -11.010 -5.137 1.00 0.45 H new ATOM 0 HA GLU A 12 0.659 -13.273 -5.466 1.00 0.44 H new ATOM 0 HB2 GLU A 12 1.081 -10.286 -5.159 1.00 0.46 H new ATOM 0 HB3 GLU A 12 2.365 -11.433 -5.490 1.00 0.46 H new ATOM 0 HG2 GLU A 12 -0.009 -10.760 -7.254 1.00 0.60 H new ATOM 0 HG3 GLU A 12 1.683 -10.442 -7.578 1.00 0.60 H new ATOM 216 N TYR A 13 0.324 -11.826 -2.596 1.00 0.34 N ATOM 217 CA TYR A 13 0.593 -11.974 -1.179 1.00 0.35 C ATOM 218 C TYR A 13 -0.683 -12.388 -0.458 1.00 0.39 C ATOM 219 O TYR A 13 -1.288 -11.589 0.255 1.00 0.40 O ATOM 220 CB TYR A 13 1.127 -10.664 -0.593 1.00 0.34 C ATOM 221 CG TYR A 13 2.293 -10.088 -1.363 1.00 0.35 C ATOM 222 CD1 TYR A 13 2.078 -9.362 -2.522 1.00 0.34 C ATOM 223 CD2 TYR A 13 3.598 -10.267 -0.935 1.00 0.44 C ATOM 224 CE1 TYR A 13 3.125 -8.835 -3.241 1.00 0.40 C ATOM 225 CE2 TYR A 13 4.656 -9.741 -1.650 1.00 0.48 C ATOM 226 CZ TYR A 13 4.414 -9.025 -2.801 1.00 0.46 C ATOM 227 OH TYR A 13 5.465 -8.499 -3.516 1.00 0.53 O ATOM 0 H TYR A 13 -0.408 -11.150 -2.816 1.00 0.34 H new ATOM 0 HA TYR A 13 1.351 -12.745 -1.043 1.00 0.35 H new ATOM 0 HB2 TYR A 13 0.321 -9.931 -0.569 1.00 0.34 H new ATOM 0 HB3 TYR A 13 1.433 -10.835 0.439 1.00 0.34 H new ATOM 0 HD1 TYR A 13 1.067 -9.206 -2.869 1.00 0.34 H new ATOM 0 HD2 TYR A 13 3.791 -10.825 -0.031 1.00 0.44 H new ATOM 0 HE1 TYR A 13 2.936 -8.276 -4.145 1.00 0.40 H new ATOM 0 HE2 TYR A 13 5.669 -9.891 -1.308 1.00 0.48 H new ATOM 0 HH TYR A 13 6.308 -8.722 -3.070 1.00 0.53 H new ATOM 237 N PRO A 14 -1.122 -13.645 -0.643 1.00 0.47 N ATOM 238 CA PRO A 14 -2.382 -14.127 -0.076 1.00 0.55 C ATOM 239 C PRO A 14 -2.341 -14.180 1.446 1.00 0.59 C ATOM 240 O PRO A 14 -3.378 -14.173 2.109 1.00 0.68 O ATOM 241 CB PRO A 14 -2.531 -15.533 -0.664 1.00 0.64 C ATOM 242 CG PRO A 14 -1.145 -15.950 -1.015 1.00 0.75 C ATOM 243 CD PRO A 14 -0.423 -14.694 -1.407 1.00 0.52 C ATOM 0 HA PRO A 14 -3.217 -13.469 -0.316 1.00 0.55 H new ATOM 0 HB2 PRO A 14 -2.979 -16.217 0.057 1.00 0.64 H new ATOM 0 HB3 PRO A 14 -3.176 -15.528 -1.542 1.00 0.64 H new ATOM 0 HG2 PRO A 14 -0.657 -16.433 -0.169 1.00 0.75 H new ATOM 0 HG3 PRO A 14 -1.149 -16.670 -1.834 1.00 0.75 H new ATOM 0 HD2 PRO A 14 0.635 -14.742 -1.149 1.00 0.52 H new ATOM 0 HD3 PRO A 14 -0.481 -14.515 -2.481 1.00 0.52 H new ATOM 251 N ASP A 15 -1.138 -14.214 1.997 1.00 0.57 N ATOM 252 CA ASP A 15 -0.965 -14.264 3.439 1.00 0.67 C ATOM 253 C ASP A 15 -0.695 -12.873 4.004 1.00 0.62 C ATOM 254 O ASP A 15 -0.810 -12.648 5.208 1.00 0.76 O ATOM 255 CB ASP A 15 0.181 -15.222 3.790 1.00 0.78 C ATOM 256 CG ASP A 15 0.564 -15.174 5.254 1.00 1.64 C ATOM 257 OD1 ASP A 15 -0.128 -15.806 6.082 1.00 2.15 O ATOM 258 OD2 ASP A 15 1.565 -14.509 5.584 1.00 2.43 O ATOM 0 H ASP A 15 -0.267 -14.208 1.467 1.00 0.57 H new ATOM 0 HA ASP A 15 -1.887 -14.633 3.889 1.00 0.67 H new ATOM 0 HB2 ASP A 15 -0.111 -16.239 3.529 1.00 0.78 H new ATOM 0 HB3 ASP A 15 1.052 -14.975 3.184 1.00 0.78 H new ATOM 263 N PHE A 16 -0.379 -11.926 3.131 1.00 0.48 N ATOM 264 CA PHE A 16 -0.164 -10.558 3.566 1.00 0.43 C ATOM 265 C PHE A 16 -1.375 -9.718 3.227 1.00 0.37 C ATOM 266 O PHE A 16 -1.639 -9.399 2.069 1.00 0.36 O ATOM 267 CB PHE A 16 1.095 -9.952 2.946 1.00 0.41 C ATOM 268 CG PHE A 16 1.540 -8.701 3.652 1.00 0.40 C ATOM 269 CD1 PHE A 16 2.265 -8.766 4.830 1.00 0.52 C ATOM 270 CD2 PHE A 16 1.241 -7.455 3.124 1.00 0.34 C ATOM 271 CE1 PHE A 16 2.683 -7.617 5.467 1.00 0.56 C ATOM 272 CE2 PHE A 16 1.655 -6.300 3.761 1.00 0.36 C ATOM 273 CZ PHE A 16 2.343 -6.398 4.980 1.00 0.49 C ATOM 0 H PHE A 16 -0.267 -12.080 2.129 1.00 0.48 H new ATOM 0 HA PHE A 16 -0.018 -10.569 4.646 1.00 0.43 H new ATOM 0 HB2 PHE A 16 1.900 -10.687 2.974 1.00 0.41 H new ATOM 0 HB3 PHE A 16 0.906 -9.726 1.897 1.00 0.41 H new ATOM 0 HD1 PHE A 16 2.506 -9.729 5.255 1.00 0.52 H new ATOM 0 HD2 PHE A 16 0.678 -7.386 2.205 1.00 0.34 H new ATOM 0 HE1 PHE A 16 3.286 -7.688 6.360 1.00 0.56 H new ATOM 0 HE2 PHE A 16 1.451 -5.333 3.325 1.00 0.36 H new ATOM 0 HZ PHE A 16 2.601 -5.505 5.529 1.00 0.49 H new ATOM 283 N ASN A 17 -2.110 -9.372 4.255 1.00 0.37 N ATOM 284 CA ASN A 17 -3.292 -8.554 4.105 1.00 0.35 C ATOM 285 C ASN A 17 -2.909 -7.091 4.001 1.00 0.30 C ATOM 286 O ASN A 17 -2.641 -6.444 5.010 1.00 0.30 O ATOM 287 CB ASN A 17 -4.244 -8.757 5.288 1.00 0.45 C ATOM 288 CG ASN A 17 -3.520 -9.121 6.577 1.00 0.74 C ATOM 289 OD1 ASN A 17 -3.459 -10.290 6.953 1.00 1.29 O ATOM 290 ND2 ASN A 17 -2.925 -8.134 7.234 1.00 0.71 N ATOM 0 H ASN A 17 -1.908 -9.647 5.216 1.00 0.37 H new ATOM 0 HA ASN A 17 -3.801 -8.856 3.190 1.00 0.35 H new ATOM 0 HB2 ASN A 17 -4.819 -7.844 5.446 1.00 0.45 H new ATOM 0 HB3 ASN A 17 -4.957 -9.544 5.043 1.00 0.45 H new ATOM 0 HD21 ASN A 17 -2.394 -8.333 8.082 1.00 0.71 H new ATOM 0 HD22 ASN A 17 -2.998 -7.176 6.891 1.00 0.71 H new ATOM 297 N PHE A 18 -2.858 -6.570 2.783 1.00 0.28 N ATOM 298 CA PHE A 18 -2.529 -5.169 2.588 1.00 0.26 C ATOM 299 C PHE A 18 -3.565 -4.274 3.243 1.00 0.27 C ATOM 300 O PHE A 18 -3.224 -3.254 3.803 1.00 0.27 O ATOM 301 CB PHE A 18 -2.386 -4.836 1.109 1.00 0.24 C ATOM 302 CG PHE A 18 -1.236 -5.549 0.476 1.00 0.23 C ATOM 303 CD1 PHE A 18 0.077 -5.274 0.837 1.00 0.24 C ATOM 304 CD2 PHE A 18 -1.479 -6.495 -0.497 1.00 0.23 C ATOM 305 CE1 PHE A 18 1.126 -5.943 0.229 1.00 0.26 C ATOM 306 CE2 PHE A 18 -0.444 -7.162 -1.105 1.00 0.25 C ATOM 307 CZ PHE A 18 0.934 -6.849 -0.650 1.00 0.25 C ATOM 0 H PHE A 18 -3.038 -7.091 1.925 1.00 0.28 H new ATOM 0 HA PHE A 18 -1.567 -4.985 3.066 1.00 0.26 H new ATOM 0 HB2 PHE A 18 -3.306 -5.101 0.588 1.00 0.24 H new ATOM 0 HB3 PHE A 18 -2.253 -3.761 0.992 1.00 0.24 H new ATOM 0 HD1 PHE A 18 0.281 -4.534 1.597 1.00 0.24 H new ATOM 0 HD2 PHE A 18 -2.497 -6.714 -0.785 1.00 0.23 H new ATOM 0 HE1 PHE A 18 2.139 -5.690 0.507 1.00 0.26 H new ATOM 0 HE2 PHE A 18 -0.626 -7.887 -1.885 1.00 0.25 H new ATOM 0 HZ PHE A 18 1.774 -7.388 -1.063 1.00 0.25 H new ATOM 317 N VAL A 19 -4.825 -4.666 3.193 1.00 0.31 N ATOM 318 CA VAL A 19 -5.874 -3.948 3.913 1.00 0.32 C ATOM 319 C VAL A 19 -5.620 -4.002 5.415 1.00 0.29 C ATOM 320 O VAL A 19 -5.594 -2.970 6.087 1.00 0.27 O ATOM 321 CB VAL A 19 -7.267 -4.527 3.577 1.00 0.41 C ATOM 322 CG1 VAL A 19 -8.337 -3.978 4.501 1.00 1.34 C ATOM 323 CG2 VAL A 19 -7.621 -4.234 2.131 1.00 1.13 C ATOM 0 H VAL A 19 -5.152 -5.475 2.664 1.00 0.31 H new ATOM 0 HA VAL A 19 -5.855 -2.906 3.595 1.00 0.32 H new ATOM 0 HB VAL A 19 -7.223 -5.606 3.724 1.00 0.41 H new ATOM 0 HG11 VAL A 19 -9.303 -4.407 4.235 1.00 1.34 H new ATOM 0 HG12 VAL A 19 -8.096 -4.238 5.532 1.00 1.34 H new ATOM 0 HG13 VAL A 19 -8.382 -2.893 4.401 1.00 1.34 H new ATOM 0 HG21 VAL A 19 -8.604 -4.647 1.906 1.00 1.13 H new ATOM 0 HG22 VAL A 19 -7.635 -3.156 1.971 1.00 1.13 H new ATOM 0 HG23 VAL A 19 -6.878 -4.689 1.475 1.00 1.13 H new ATOM 333 N GLY A 20 -5.388 -5.203 5.924 1.00 0.33 N ATOM 334 CA GLY A 20 -5.046 -5.373 7.324 1.00 0.35 C ATOM 335 C GLY A 20 -3.741 -4.689 7.694 1.00 0.32 C ATOM 336 O GLY A 20 -3.416 -4.557 8.867 1.00 0.38 O ATOM 0 H GLY A 20 -5.431 -6.070 5.389 1.00 0.33 H new ATOM 0 HA2 GLY A 20 -5.850 -4.972 7.942 1.00 0.35 H new ATOM 0 HA3 GLY A 20 -4.971 -6.437 7.549 1.00 0.35 H new ATOM 340 N ARG A 21 -2.985 -4.278 6.687 1.00 0.29 N ATOM 341 CA ARG A 21 -1.734 -3.565 6.894 1.00 0.32 C ATOM 342 C ARG A 21 -1.925 -2.055 6.737 1.00 0.31 C ATOM 343 O ARG A 21 -1.421 -1.271 7.543 1.00 0.39 O ATOM 344 CB ARG A 21 -0.664 -4.084 5.912 1.00 0.33 C ATOM 345 CG ARG A 21 0.300 -3.014 5.396 1.00 0.56 C ATOM 346 CD ARG A 21 1.505 -2.788 6.310 1.00 0.52 C ATOM 347 NE ARG A 21 1.143 -2.551 7.707 1.00 1.51 N ATOM 348 CZ ARG A 21 1.727 -3.168 8.735 1.00 2.26 C ATOM 349 NH1 ARG A 21 2.632 -4.115 8.517 1.00 2.34 N ATOM 350 NH2 ARG A 21 1.407 -2.842 9.979 1.00 3.20 N ATOM 0 H ARG A 21 -3.221 -4.429 5.706 1.00 0.29 H new ATOM 0 HA ARG A 21 -1.397 -3.750 7.914 1.00 0.32 H new ATOM 0 HB2 ARG A 21 -0.087 -4.867 6.404 1.00 0.33 H new ATOM 0 HB3 ARG A 21 -1.164 -4.545 5.060 1.00 0.33 H new ATOM 0 HG2 ARG A 21 0.654 -3.302 4.406 1.00 0.56 H new ATOM 0 HG3 ARG A 21 -0.240 -2.074 5.281 1.00 0.56 H new ATOM 0 HD2 ARG A 21 2.160 -3.657 6.255 1.00 0.52 H new ATOM 0 HD3 ARG A 21 2.075 -1.935 5.941 1.00 0.52 H new ATOM 0 HE ARG A 21 0.404 -1.877 7.906 1.00 1.51 H new ATOM 0 HH11 ARG A 21 2.882 -4.372 7.562 1.00 2.34 H new ATOM 0 HH12 ARG A 21 3.078 -4.586 9.305 1.00 2.34 H new ATOM 0 HH21 ARG A 21 0.711 -2.117 10.153 1.00 3.20 H new ATOM 0 HH22 ARG A 21 1.856 -3.317 10.762 1.00 3.20 H new ATOM 364 N ILE A 22 -2.669 -1.666 5.711 1.00 0.27 N ATOM 365 CA ILE A 22 -2.815 -0.265 5.348 1.00 0.31 C ATOM 366 C ILE A 22 -3.722 0.458 6.326 1.00 0.28 C ATOM 367 O ILE A 22 -3.331 1.449 6.941 1.00 0.32 O ATOM 368 CB ILE A 22 -3.425 -0.131 3.929 1.00 0.40 C ATOM 369 CG1 ILE A 22 -2.444 -0.615 2.854 1.00 0.51 C ATOM 370 CG2 ILE A 22 -3.876 1.294 3.658 1.00 0.52 C ATOM 371 CD1 ILE A 22 -1.031 -0.123 3.041 1.00 0.99 C ATOM 0 H ILE A 22 -3.185 -2.309 5.111 1.00 0.27 H new ATOM 0 HA ILE A 22 -1.821 0.182 5.372 1.00 0.31 H new ATOM 0 HB ILE A 22 -4.305 -0.772 3.886 1.00 0.40 H new ATOM 0 HG12 ILE A 22 -2.439 -1.705 2.846 1.00 0.51 H new ATOM 0 HG13 ILE A 22 -2.804 -0.291 1.877 1.00 0.51 H new ATOM 0 HG21 ILE A 22 -4.299 1.357 2.656 1.00 0.52 H new ATOM 0 HG22 ILE A 22 -4.631 1.582 4.390 1.00 0.52 H new ATOM 0 HG23 ILE A 22 -3.022 1.967 3.734 1.00 0.52 H new ATOM 0 HD11 ILE A 22 -0.402 -0.510 2.240 1.00 0.99 H new ATOM 0 HD12 ILE A 22 -1.019 0.967 3.017 1.00 0.99 H new ATOM 0 HD13 ILE A 22 -0.649 -0.469 4.001 1.00 0.99 H new ATOM 383 N LEU A 23 -4.921 -0.063 6.483 1.00 0.30 N ATOM 384 CA LEU A 23 -5.904 0.556 7.345 1.00 0.35 C ATOM 385 C LEU A 23 -6.035 -0.197 8.665 1.00 0.37 C ATOM 386 O LEU A 23 -6.563 0.336 9.641 1.00 0.47 O ATOM 387 CB LEU A 23 -7.242 0.666 6.610 1.00 0.59 C ATOM 388 CG LEU A 23 -7.688 -0.600 5.889 1.00 0.68 C ATOM 389 CD1 LEU A 23 -8.398 -1.536 6.845 1.00 1.69 C ATOM 390 CD2 LEU A 23 -8.565 -0.257 4.699 1.00 1.15 C ATOM 0 H LEU A 23 -5.238 -0.916 6.023 1.00 0.30 H new ATOM 0 HA LEU A 23 -5.571 1.563 7.595 1.00 0.35 H new ATOM 0 HB2 LEU A 23 -8.012 0.947 7.329 1.00 0.59 H new ATOM 0 HB3 LEU A 23 -7.174 1.475 5.883 1.00 0.59 H new ATOM 0 HG LEU A 23 -6.804 -1.115 5.513 1.00 0.68 H new ATOM 0 HD11 LEU A 23 -8.709 -2.434 6.311 1.00 1.69 H new ATOM 0 HD12 LEU A 23 -7.722 -1.811 7.655 1.00 1.69 H new ATOM 0 HD13 LEU A 23 -9.275 -1.038 7.258 1.00 1.69 H new ATOM 0 HD21 LEU A 23 -8.873 -1.174 4.198 1.00 1.15 H new ATOM 0 HD22 LEU A 23 -9.448 0.283 5.041 1.00 1.15 H new ATOM 0 HD23 LEU A 23 -8.005 0.367 4.002 1.00 1.15 H new ATOM 402 N GLY A 24 -5.533 -1.429 8.680 1.00 0.35 N ATOM 403 CA GLY A 24 -5.651 -2.284 9.848 1.00 0.45 C ATOM 404 C GLY A 24 -5.139 -1.630 11.123 1.00 0.56 C ATOM 405 O GLY A 24 -5.929 -1.156 11.938 1.00 0.70 O ATOM 0 H GLY A 24 -5.041 -1.854 7.894 1.00 0.35 H new ATOM 0 HA2 GLY A 24 -6.697 -2.561 9.984 1.00 0.45 H new ATOM 0 HA3 GLY A 24 -5.097 -3.206 9.673 1.00 0.45 H new ATOM 409 N PRO A 25 -3.816 -1.595 11.332 1.00 0.59 N ATOM 410 CA PRO A 25 -3.212 -0.926 12.470 1.00 0.74 C ATOM 411 C PRO A 25 -2.843 0.520 12.156 1.00 0.75 C ATOM 412 O PRO A 25 -2.568 1.314 13.052 1.00 0.90 O ATOM 413 CB PRO A 25 -1.960 -1.762 12.736 1.00 0.85 C ATOM 414 CG PRO A 25 -1.638 -2.454 11.443 1.00 0.77 C ATOM 415 CD PRO A 25 -2.794 -2.230 10.496 1.00 0.57 C ATOM 0 HA PRO A 25 -3.887 -0.864 13.324 1.00 0.74 H new ATOM 0 HB2 PRO A 25 -1.131 -1.131 13.057 1.00 0.85 H new ATOM 0 HB3 PRO A 25 -2.137 -2.486 13.532 1.00 0.85 H new ATOM 0 HG2 PRO A 25 -0.715 -2.059 11.018 1.00 0.77 H new ATOM 0 HG3 PRO A 25 -1.482 -3.520 11.609 1.00 0.77 H new ATOM 0 HD2 PRO A 25 -2.508 -1.591 9.660 1.00 0.57 H new ATOM 0 HD3 PRO A 25 -3.151 -3.169 10.072 1.00 0.57 H new ATOM 423 N ARG A 26 -2.835 0.853 10.873 1.00 0.64 N ATOM 424 CA ARG A 26 -2.370 2.154 10.417 1.00 0.71 C ATOM 425 C ARG A 26 -3.486 2.947 9.745 1.00 0.59 C ATOM 426 O ARG A 26 -3.211 3.896 9.017 1.00 0.63 O ATOM 427 CB ARG A 26 -1.214 1.967 9.433 1.00 0.88 C ATOM 428 CG ARG A 26 0.131 2.466 9.937 1.00 1.34 C ATOM 429 CD ARG A 26 0.510 1.848 11.274 1.00 1.33 C ATOM 430 NE ARG A 26 1.940 1.978 11.540 1.00 1.92 N ATOM 431 CZ ARG A 26 2.482 2.892 12.341 1.00 2.49 C ATOM 432 NH1 ARG A 26 1.722 3.763 12.992 1.00 2.67 N ATOM 433 NH2 ARG A 26 3.797 2.915 12.499 1.00 3.43 N ATOM 0 H ARG A 26 -3.148 0.234 10.125 1.00 0.64 H new ATOM 0 HA ARG A 26 -2.035 2.716 11.289 1.00 0.71 H new ATOM 0 HB2 ARG A 26 -1.127 0.908 9.192 1.00 0.88 H new ATOM 0 HB3 ARG A 26 -1.456 2.486 8.506 1.00 0.88 H new ATOM 0 HG2 ARG A 26 0.901 2.235 9.201 1.00 1.34 H new ATOM 0 HG3 ARG A 26 0.100 3.551 10.036 1.00 1.34 H new ATOM 0 HD2 ARG A 26 -0.054 2.331 12.072 1.00 1.33 H new ATOM 0 HD3 ARG A 26 0.233 0.794 11.280 1.00 1.33 H new ATOM 0 HE ARG A 26 2.569 1.321 11.078 1.00 1.92 H new ATOM 0 HH11 ARG A 26 0.708 3.738 12.882 1.00 2.67 H new ATOM 0 HH12 ARG A 26 2.151 4.458 13.603 1.00 2.67 H new ATOM 0 HH21 ARG A 26 4.381 2.237 12.010 1.00 3.43 H new ATOM 0 HH22 ARG A 26 4.225 3.610 13.110 1.00 3.43 H new ATOM 447 N GLY A 27 -4.740 2.567 10.002 1.00 0.54 N ATOM 448 CA GLY A 27 -5.880 3.254 9.402 1.00 0.56 C ATOM 449 C GLY A 27 -5.836 4.758 9.583 1.00 0.58 C ATOM 450 O GLY A 27 -6.354 5.505 8.749 1.00 0.56 O ATOM 0 H GLY A 27 -4.988 1.792 10.618 1.00 0.54 H new ATOM 0 HA2 GLY A 27 -5.915 3.024 8.337 1.00 0.56 H new ATOM 0 HA3 GLY A 27 -6.800 2.869 9.842 1.00 0.56 H new ATOM 454 N LEU A 28 -5.200 5.196 10.667 1.00 0.64 N ATOM 455 CA LEU A 28 -5.007 6.615 10.934 1.00 0.68 C ATOM 456 C LEU A 28 -4.427 7.325 9.711 1.00 0.58 C ATOM 457 O LEU A 28 -4.890 8.401 9.337 1.00 0.55 O ATOM 458 CB LEU A 28 -4.067 6.797 12.129 1.00 0.82 C ATOM 459 CG LEU A 28 -3.835 8.243 12.577 1.00 1.46 C ATOM 460 CD1 LEU A 28 -5.115 8.841 13.138 1.00 1.96 C ATOM 461 CD2 LEU A 28 -2.713 8.303 13.605 1.00 2.25 C ATOM 0 H LEU A 28 -4.807 4.580 11.379 1.00 0.64 H new ATOM 0 HA LEU A 28 -5.977 7.055 11.163 1.00 0.68 H new ATOM 0 HB2 LEU A 28 -4.468 6.235 12.972 1.00 0.82 H new ATOM 0 HB3 LEU A 28 -3.103 6.354 11.880 1.00 0.82 H new ATOM 0 HG LEU A 28 -3.539 8.833 11.710 1.00 1.46 H new ATOM 0 HD11 LEU A 28 -4.930 9.869 13.451 1.00 1.96 H new ATOM 0 HD12 LEU A 28 -5.889 8.829 12.371 1.00 1.96 H new ATOM 0 HD13 LEU A 28 -5.445 8.255 13.995 1.00 1.96 H new ATOM 0 HD21 LEU A 28 -2.558 9.337 13.915 1.00 2.25 H new ATOM 0 HD22 LEU A 28 -2.982 7.700 14.473 1.00 2.25 H new ATOM 0 HD23 LEU A 28 -1.795 7.915 13.164 1.00 2.25 H new ATOM 473 N THR A 29 -3.449 6.694 9.061 1.00 0.56 N ATOM 474 CA THR A 29 -2.749 7.325 7.951 1.00 0.52 C ATOM 475 C THR A 29 -3.690 7.576 6.777 1.00 0.42 C ATOM 476 O THR A 29 -3.591 8.601 6.117 1.00 0.41 O ATOM 477 CB THR A 29 -1.513 6.506 7.490 1.00 0.58 C ATOM 478 OG1 THR A 29 -0.656 7.326 6.685 1.00 0.92 O ATOM 479 CG2 THR A 29 -1.907 5.271 6.689 1.00 0.48 C ATOM 0 H THR A 29 -3.128 5.752 9.285 1.00 0.56 H new ATOM 0 HA THR A 29 -2.385 8.285 8.318 1.00 0.52 H new ATOM 0 HB THR A 29 -0.993 6.177 8.390 1.00 0.58 H new ATOM 0 HG1 THR A 29 0.122 6.804 6.399 1.00 0.92 H new ATOM 0 HG21 THR A 29 -1.009 4.731 6.389 1.00 0.48 H new ATOM 0 HG22 THR A 29 -2.532 4.623 7.303 1.00 0.48 H new ATOM 0 HG23 THR A 29 -2.462 5.575 5.801 1.00 0.48 H new ATOM 487 N ALA A 30 -4.630 6.674 6.542 1.00 0.39 N ATOM 488 CA ALA A 30 -5.557 6.839 5.432 1.00 0.34 C ATOM 489 C ALA A 30 -6.451 8.046 5.677 1.00 0.32 C ATOM 490 O ALA A 30 -6.657 8.886 4.796 1.00 0.28 O ATOM 491 CB ALA A 30 -6.390 5.582 5.243 1.00 0.38 C ATOM 0 H ALA A 30 -4.771 5.830 7.097 1.00 0.39 H new ATOM 0 HA ALA A 30 -4.987 7.007 4.518 1.00 0.34 H new ATOM 0 HB1 ALA A 30 -7.078 5.723 4.409 1.00 0.38 H new ATOM 0 HB2 ALA A 30 -5.733 4.738 5.033 1.00 0.38 H new ATOM 0 HB3 ALA A 30 -6.958 5.382 6.152 1.00 0.38 H new ATOM 497 N LYS A 31 -6.939 8.146 6.903 1.00 0.38 N ATOM 498 CA LYS A 31 -7.843 9.215 7.286 1.00 0.41 C ATOM 499 C LYS A 31 -7.123 10.558 7.332 1.00 0.38 C ATOM 500 O LYS A 31 -7.650 11.565 6.864 1.00 0.39 O ATOM 501 CB LYS A 31 -8.463 8.902 8.650 1.00 0.49 C ATOM 502 CG LYS A 31 -9.410 9.974 9.172 1.00 1.16 C ATOM 503 CD LYS A 31 -10.556 10.241 8.208 1.00 1.63 C ATOM 504 CE LYS A 31 -11.408 9.003 7.978 1.00 2.36 C ATOM 505 NZ LYS A 31 -12.542 9.279 7.058 1.00 3.09 N ATOM 0 H LYS A 31 -6.721 7.493 7.655 1.00 0.38 H new ATOM 0 HA LYS A 31 -8.631 9.284 6.536 1.00 0.41 H new ATOM 0 HB2 LYS A 31 -9.004 7.958 8.581 1.00 0.49 H new ATOM 0 HB3 LYS A 31 -7.662 8.758 9.375 1.00 0.49 H new ATOM 0 HG2 LYS A 31 -9.812 9.664 10.136 1.00 1.16 H new ATOM 0 HG3 LYS A 31 -8.855 10.897 9.340 1.00 1.16 H new ATOM 0 HD2 LYS A 31 -11.181 11.043 8.601 1.00 1.63 H new ATOM 0 HD3 LYS A 31 -10.155 10.587 7.255 1.00 1.63 H new ATOM 0 HE2 LYS A 31 -10.789 8.207 7.564 1.00 2.36 H new ATOM 0 HE3 LYS A 31 -11.793 8.644 8.932 1.00 2.36 H new ATOM 0 HZ1 LYS A 31 -12.998 8.383 6.791 1.00 3.09 H new ATOM 0 HZ2 LYS A 31 -13.234 9.892 7.534 1.00 3.09 H new ATOM 0 HZ3 LYS A 31 -12.188 9.755 6.204 1.00 3.09 H new ATOM 519 N GLN A 32 -5.921 10.575 7.895 1.00 0.38 N ATOM 520 CA GLN A 32 -5.176 11.822 8.032 1.00 0.40 C ATOM 521 C GLN A 32 -4.785 12.364 6.664 1.00 0.32 C ATOM 522 O GLN A 32 -4.725 13.575 6.462 1.00 0.33 O ATOM 523 CB GLN A 32 -3.928 11.641 8.904 1.00 0.47 C ATOM 524 CG GLN A 32 -4.222 11.122 10.303 1.00 0.55 C ATOM 525 CD GLN A 32 -5.310 11.905 11.018 1.00 0.63 C ATOM 526 OE1 GLN A 32 -5.041 12.873 11.729 1.00 0.72 O ATOM 527 NE2 GLN A 32 -6.550 11.484 10.834 1.00 0.64 N ATOM 0 H GLN A 32 -5.445 9.750 8.260 1.00 0.38 H new ATOM 0 HA GLN A 32 -5.829 12.541 8.526 1.00 0.40 H new ATOM 0 HB2 GLN A 32 -3.247 10.950 8.407 1.00 0.47 H new ATOM 0 HB3 GLN A 32 -3.411 12.597 8.983 1.00 0.47 H new ATOM 0 HG2 GLN A 32 -4.519 10.075 10.240 1.00 0.55 H new ATOM 0 HG3 GLN A 32 -3.308 11.159 10.896 1.00 0.55 H new ATOM 0 HE21 GLN A 32 -6.731 10.677 10.237 1.00 0.64 H new ATOM 0 HE22 GLN A 32 -7.325 11.966 11.289 1.00 0.64 H new ATOM 536 N LEU A 33 -4.533 11.464 5.724 1.00 0.28 N ATOM 537 CA LEU A 33 -4.158 11.866 4.377 1.00 0.25 C ATOM 538 C LEU A 33 -5.302 12.576 3.681 1.00 0.21 C ATOM 539 O LEU A 33 -5.107 13.647 3.124 1.00 0.22 O ATOM 540 CB LEU A 33 -3.713 10.650 3.560 1.00 0.28 C ATOM 541 CG LEU A 33 -2.210 10.346 3.594 1.00 0.72 C ATOM 542 CD1 LEU A 33 -1.654 10.435 5.010 1.00 1.20 C ATOM 543 CD2 LEU A 33 -1.938 8.969 3.002 1.00 1.61 C ATOM 0 H LEU A 33 -4.581 10.455 5.869 1.00 0.28 H new ATOM 0 HA LEU A 33 -3.323 12.562 4.454 1.00 0.25 H new ATOM 0 HB2 LEU A 33 -4.251 9.774 3.922 1.00 0.28 H new ATOM 0 HB3 LEU A 33 -4.012 10.802 2.523 1.00 0.28 H new ATOM 0 HG LEU A 33 -1.702 11.099 2.991 1.00 0.72 H new ATOM 0 HD11 LEU A 33 -0.587 10.214 4.996 1.00 1.20 H new ATOM 0 HD12 LEU A 33 -1.811 11.441 5.400 1.00 1.20 H new ATOM 0 HD13 LEU A 33 -2.166 9.714 5.648 1.00 1.20 H new ATOM 0 HD21 LEU A 33 -0.868 8.765 3.032 1.00 1.61 H new ATOM 0 HD22 LEU A 33 -2.468 8.213 3.581 1.00 1.61 H new ATOM 0 HD23 LEU A 33 -2.284 8.942 1.969 1.00 1.61 H new ATOM 555 N GLU A 34 -6.506 12.034 3.762 1.00 0.21 N ATOM 556 CA GLU A 34 -7.638 12.682 3.110 1.00 0.25 C ATOM 557 C GLU A 34 -8.027 13.946 3.853 1.00 0.29 C ATOM 558 O GLU A 34 -8.448 14.935 3.249 1.00 0.33 O ATOM 559 CB GLU A 34 -8.844 11.747 2.978 1.00 0.31 C ATOM 560 CG GLU A 34 -9.167 10.940 4.226 1.00 0.38 C ATOM 561 CD GLU A 34 -10.456 10.146 4.097 1.00 0.54 C ATOM 562 OE1 GLU A 34 -10.530 9.268 3.208 1.00 0.63 O ATOM 563 OE2 GLU A 34 -11.402 10.394 4.871 1.00 0.87 O ATOM 0 H GLU A 34 -6.725 11.170 4.258 1.00 0.21 H new ATOM 0 HA GLU A 34 -7.321 12.945 2.101 1.00 0.25 H new ATOM 0 HB2 GLU A 34 -9.718 12.341 2.710 1.00 0.31 H new ATOM 0 HB3 GLU A 34 -8.662 11.057 2.154 1.00 0.31 H new ATOM 0 HG2 GLU A 34 -8.344 10.256 4.434 1.00 0.38 H new ATOM 0 HG3 GLU A 34 -9.245 11.614 5.079 1.00 0.38 H new ATOM 570 N ALA A 35 -7.875 13.903 5.164 1.00 0.30 N ATOM 571 CA ALA A 35 -8.184 15.045 6.006 1.00 0.36 C ATOM 572 C ALA A 35 -7.231 16.213 5.743 1.00 0.35 C ATOM 573 O ALA A 35 -7.663 17.361 5.640 1.00 0.42 O ATOM 574 CB ALA A 35 -8.145 14.649 7.477 1.00 0.40 C ATOM 0 H ALA A 35 -7.538 13.085 5.671 1.00 0.30 H new ATOM 0 HA ALA A 35 -9.192 15.376 5.756 1.00 0.36 H new ATOM 0 HB1 ALA A 35 -8.379 15.517 8.094 1.00 0.40 H new ATOM 0 HB2 ALA A 35 -8.878 13.864 7.662 1.00 0.40 H new ATOM 0 HB3 ALA A 35 -7.150 14.283 7.729 1.00 0.40 H new ATOM 580 N GLU A 36 -5.939 15.919 5.615 1.00 0.30 N ATOM 581 CA GLU A 36 -4.935 16.969 5.467 1.00 0.34 C ATOM 582 C GLU A 36 -4.598 17.288 4.014 1.00 0.31 C ATOM 583 O GLU A 36 -4.578 18.454 3.627 1.00 0.41 O ATOM 584 CB GLU A 36 -3.648 16.615 6.208 1.00 0.38 C ATOM 585 CG GLU A 36 -3.741 16.771 7.713 1.00 0.74 C ATOM 586 CD GLU A 36 -2.374 16.887 8.351 1.00 1.25 C ATOM 587 OE1 GLU A 36 -1.752 15.845 8.641 1.00 1.69 O ATOM 588 OE2 GLU A 36 -1.903 18.026 8.550 1.00 1.73 O ATOM 0 H GLU A 36 -5.565 14.970 5.611 1.00 0.30 H new ATOM 0 HA GLU A 36 -5.386 17.859 5.906 1.00 0.34 H new ATOM 0 HB2 GLU A 36 -3.379 15.585 5.976 1.00 0.38 H new ATOM 0 HB3 GLU A 36 -2.841 17.247 5.837 1.00 0.38 H new ATOM 0 HG2 GLU A 36 -4.330 17.657 7.951 1.00 0.74 H new ATOM 0 HG3 GLU A 36 -4.268 15.915 8.135 1.00 0.74 H new ATOM 595 N THR A 37 -4.306 16.270 3.211 1.00 0.24 N ATOM 596 CA THR A 37 -3.805 16.514 1.862 1.00 0.26 C ATOM 597 C THR A 37 -4.916 17.020 0.952 1.00 0.28 C ATOM 598 O THR A 37 -4.659 17.656 -0.067 1.00 0.35 O ATOM 599 CB THR A 37 -3.170 15.260 1.220 1.00 0.28 C ATOM 600 OG1 THR A 37 -4.182 14.309 0.876 1.00 0.25 O ATOM 601 CG2 THR A 37 -2.165 14.616 2.166 1.00 0.29 C ATOM 0 H THR A 37 -4.405 15.287 3.463 1.00 0.24 H new ATOM 0 HA THR A 37 -3.029 17.272 1.966 1.00 0.26 H new ATOM 0 HB THR A 37 -2.649 15.574 0.315 1.00 0.28 H new ATOM 0 HG1 THR A 37 -4.786 14.184 1.638 1.00 0.25 H new ATOM 0 HG21 THR A 37 -1.732 13.735 1.692 1.00 0.29 H new ATOM 0 HG22 THR A 37 -1.374 15.330 2.398 1.00 0.29 H new ATOM 0 HG23 THR A 37 -2.669 14.321 3.087 1.00 0.29 H new ATOM 609 N GLY A 38 -6.156 16.736 1.339 1.00 0.28 N ATOM 610 CA GLY A 38 -7.288 17.050 0.493 1.00 0.35 C ATOM 611 C GLY A 38 -7.553 15.935 -0.487 1.00 0.35 C ATOM 612 O GLY A 38 -8.492 15.993 -1.282 1.00 0.44 O ATOM 0 H GLY A 38 -6.395 16.293 2.226 1.00 0.28 H new ATOM 0 HA2 GLY A 38 -8.172 17.216 1.109 1.00 0.35 H new ATOM 0 HA3 GLY A 38 -7.097 17.977 -0.048 1.00 0.35 H new ATOM 616 N CYS A 39 -6.712 14.915 -0.427 1.00 0.29 N ATOM 617 CA CYS A 39 -6.881 13.743 -1.250 1.00 0.26 C ATOM 618 C CYS A 39 -7.480 12.622 -0.456 1.00 0.35 C ATOM 619 O CYS A 39 -6.880 12.133 0.495 1.00 0.73 O ATOM 620 CB CYS A 39 -5.546 13.278 -1.815 1.00 0.37 C ATOM 621 SG CYS A 39 -5.660 11.765 -2.774 1.00 1.29 S ATOM 0 H CYS A 39 -5.901 14.882 0.191 1.00 0.29 H new ATOM 0 HA CYS A 39 -7.548 14.013 -2.069 1.00 0.26 H new ATOM 0 HB2 CYS A 39 -5.132 14.067 -2.444 1.00 0.37 H new ATOM 0 HB3 CYS A 39 -4.846 13.126 -0.993 1.00 0.37 H new ATOM 0 HG CYS A 39 -6.255 10.849 -2.070 1.00 1.29 H new ATOM 627 N LYS A 40 -8.645 12.188 -0.877 1.00 0.28 N ATOM 628 CA LYS A 40 -9.259 11.042 -0.274 1.00 0.27 C ATOM 629 C LYS A 40 -8.617 9.812 -0.889 1.00 0.24 C ATOM 630 O LYS A 40 -8.996 9.376 -1.977 1.00 0.26 O ATOM 631 CB LYS A 40 -10.778 11.081 -0.506 1.00 0.35 C ATOM 632 CG LYS A 40 -11.585 10.074 0.310 1.00 1.07 C ATOM 633 CD LYS A 40 -11.564 8.679 -0.298 1.00 1.36 C ATOM 634 CE LYS A 40 -12.489 7.735 0.453 1.00 1.62 C ATOM 635 NZ LYS A 40 -12.037 7.499 1.853 1.00 2.51 N ATOM 0 H LYS A 40 -9.181 12.614 -1.633 1.00 0.28 H new ATOM 0 HA LYS A 40 -9.108 11.026 0.805 1.00 0.27 H new ATOM 0 HB2 LYS A 40 -11.139 12.083 -0.276 1.00 0.35 H new ATOM 0 HB3 LYS A 40 -10.973 10.907 -1.564 1.00 0.35 H new ATOM 0 HG2 LYS A 40 -11.187 10.031 1.324 1.00 1.07 H new ATOM 0 HG3 LYS A 40 -12.617 10.417 0.387 1.00 1.07 H new ATOM 0 HD2 LYS A 40 -11.866 8.731 -1.344 1.00 1.36 H new ATOM 0 HD3 LYS A 40 -10.547 8.287 -0.279 1.00 1.36 H new ATOM 0 HE2 LYS A 40 -13.497 8.149 0.464 1.00 1.62 H new ATOM 0 HE3 LYS A 40 -12.541 6.783 -0.076 1.00 1.62 H new ATOM 0 HZ1 LYS A 40 -11.754 6.504 1.964 1.00 2.51 H new ATOM 0 HZ2 LYS A 40 -11.226 8.115 2.064 1.00 2.51 H new ATOM 0 HZ3 LYS A 40 -12.815 7.713 2.510 1.00 2.51 H new ATOM 649 N ILE A 41 -7.607 9.288 -0.216 1.00 0.22 N ATOM 650 CA ILE A 41 -6.921 8.112 -0.705 1.00 0.21 C ATOM 651 C ILE A 41 -7.737 6.878 -0.359 1.00 0.23 C ATOM 652 O ILE A 41 -7.907 6.521 0.808 1.00 0.29 O ATOM 653 CB ILE A 41 -5.482 7.997 -0.140 1.00 0.21 C ATOM 654 CG1 ILE A 41 -4.864 6.639 -0.482 1.00 0.23 C ATOM 655 CG2 ILE A 41 -5.465 8.222 1.367 1.00 0.25 C ATOM 656 CD1 ILE A 41 -3.430 6.508 -0.023 1.00 0.25 C ATOM 0 H ILE A 41 -7.248 9.658 0.664 1.00 0.22 H new ATOM 0 HA ILE A 41 -6.824 8.197 -1.787 1.00 0.21 H new ATOM 0 HB ILE A 41 -4.881 8.776 -0.609 1.00 0.21 H new ATOM 0 HG12 ILE A 41 -5.460 5.850 -0.023 1.00 0.23 H new ATOM 0 HG13 ILE A 41 -4.909 6.487 -1.560 1.00 0.23 H new ATOM 0 HG21 ILE A 41 -4.443 8.135 1.736 1.00 0.25 H new ATOM 0 HG22 ILE A 41 -5.849 9.217 1.591 1.00 0.25 H new ATOM 0 HG23 ILE A 41 -6.091 7.474 1.854 1.00 0.25 H new ATOM 0 HD11 ILE A 41 -3.049 5.524 -0.295 1.00 0.25 H new ATOM 0 HD12 ILE A 41 -2.823 7.277 -0.502 1.00 0.25 H new ATOM 0 HD13 ILE A 41 -3.382 6.629 1.059 1.00 0.25 H new ATOM 668 N MET A 42 -8.270 6.250 -1.386 1.00 0.20 N ATOM 669 CA MET A 42 -9.146 5.128 -1.205 1.00 0.21 C ATOM 670 C MET A 42 -8.426 3.874 -1.627 1.00 0.20 C ATOM 671 O MET A 42 -7.778 3.836 -2.675 1.00 0.21 O ATOM 672 CB MET A 42 -10.433 5.297 -2.022 1.00 0.26 C ATOM 673 CG MET A 42 -10.196 5.483 -3.514 1.00 0.29 C ATOM 674 SD MET A 42 -11.717 5.384 -4.482 1.00 0.45 S ATOM 675 CE MET A 42 -12.652 6.749 -3.789 1.00 1.43 C ATOM 0 H MET A 42 -8.106 6.506 -2.360 1.00 0.20 H new ATOM 0 HA MET A 42 -9.425 5.061 -0.153 1.00 0.21 H new ATOM 0 HB2 MET A 42 -11.065 4.422 -1.871 1.00 0.26 H new ATOM 0 HB3 MET A 42 -10.983 6.158 -1.641 1.00 0.26 H new ATOM 0 HG2 MET A 42 -9.725 6.451 -3.684 1.00 0.29 H new ATOM 0 HG3 MET A 42 -9.498 4.723 -3.864 1.00 0.29 H new ATOM 0 HE1 MET A 42 -13.518 6.953 -4.418 1.00 1.43 H new ATOM 0 HE2 MET A 42 -12.986 6.488 -2.785 1.00 1.43 H new ATOM 0 HE3 MET A 42 -12.020 7.636 -3.742 1.00 1.43 H new ATOM 685 N VAL A 43 -8.511 2.857 -0.812 1.00 0.22 N ATOM 686 CA VAL A 43 -7.928 1.597 -1.168 1.00 0.25 C ATOM 687 C VAL A 43 -8.886 0.891 -2.103 1.00 0.27 C ATOM 688 O VAL A 43 -9.992 0.536 -1.713 1.00 0.41 O ATOM 689 CB VAL A 43 -7.659 0.709 0.057 1.00 0.32 C ATOM 690 CG1 VAL A 43 -6.498 -0.221 -0.225 1.00 0.51 C ATOM 691 CG2 VAL A 43 -7.390 1.537 1.308 1.00 0.79 C ATOM 0 H VAL A 43 -8.975 2.878 0.096 1.00 0.22 H new ATOM 0 HA VAL A 43 -6.965 1.781 -1.644 1.00 0.25 H new ATOM 0 HB VAL A 43 -8.555 0.118 0.247 1.00 0.32 H new ATOM 0 HG11 VAL A 43 -6.313 -0.847 0.648 1.00 0.51 H new ATOM 0 HG12 VAL A 43 -6.737 -0.852 -1.081 1.00 0.51 H new ATOM 0 HG13 VAL A 43 -5.607 0.366 -0.445 1.00 0.51 H new ATOM 0 HG21 VAL A 43 -7.205 0.872 2.152 1.00 0.79 H new ATOM 0 HG22 VAL A 43 -6.517 2.169 1.145 1.00 0.79 H new ATOM 0 HG23 VAL A 43 -8.256 2.163 1.523 1.00 0.79 H new ATOM 701 N ARG A 44 -8.484 0.725 -3.342 1.00 0.29 N ATOM 702 CA ARG A 44 -9.342 0.098 -4.318 1.00 0.31 C ATOM 703 C ARG A 44 -8.979 -1.358 -4.459 1.00 0.38 C ATOM 704 O ARG A 44 -7.863 -1.754 -4.158 1.00 0.71 O ATOM 705 CB ARG A 44 -9.258 0.806 -5.661 1.00 0.33 C ATOM 706 CG ARG A 44 -9.884 2.184 -5.650 1.00 0.37 C ATOM 707 CD ARG A 44 -10.158 2.662 -7.059 1.00 0.50 C ATOM 708 NE ARG A 44 -11.257 3.619 -7.119 1.00 0.56 N ATOM 709 CZ ARG A 44 -12.123 3.686 -8.130 1.00 0.72 C ATOM 710 NH1 ARG A 44 -12.133 2.741 -9.069 1.00 1.26 N ATOM 711 NH2 ARG A 44 -13.008 4.671 -8.179 1.00 1.10 N ATOM 0 H ARG A 44 -7.572 1.014 -3.696 1.00 0.29 H new ATOM 0 HA ARG A 44 -10.372 0.174 -3.971 1.00 0.31 H new ATOM 0 HB2 ARG A 44 -8.212 0.892 -5.954 1.00 0.33 H new ATOM 0 HB3 ARG A 44 -9.752 0.196 -6.417 1.00 0.33 H new ATOM 0 HG2 ARG A 44 -10.814 2.161 -5.082 1.00 0.37 H new ATOM 0 HG3 ARG A 44 -9.220 2.886 -5.146 1.00 0.37 H new ATOM 0 HD2 ARG A 44 -9.257 3.122 -7.465 1.00 0.50 H new ATOM 0 HD3 ARG A 44 -10.391 1.805 -7.691 1.00 0.50 H new ATOM 0 HE ARG A 44 -11.369 4.273 -6.344 1.00 0.56 H new ATOM 0 HH11 ARG A 44 -11.476 1.962 -9.016 1.00 1.26 H new ATOM 0 HH12 ARG A 44 -12.797 2.796 -9.841 1.00 1.26 H new ATOM 0 HH21 ARG A 44 -13.026 5.377 -7.443 1.00 1.10 H new ATOM 0 HH22 ARG A 44 -13.671 4.723 -8.952 1.00 1.10 H new ATOM 725 N GLY A 45 -9.913 -2.148 -4.925 1.00 0.26 N ATOM 726 CA GLY A 45 -9.724 -3.568 -4.900 1.00 0.29 C ATOM 727 C GLY A 45 -10.509 -4.188 -3.775 1.00 0.29 C ATOM 728 O GLY A 45 -11.362 -3.535 -3.165 1.00 0.33 O ATOM 0 H GLY A 45 -10.799 -1.834 -5.320 1.00 0.26 H new ATOM 0 HA2 GLY A 45 -10.039 -3.999 -5.851 1.00 0.29 H new ATOM 0 HA3 GLY A 45 -8.665 -3.797 -4.781 1.00 0.29 H new ATOM 732 N LYS A 46 -10.229 -5.439 -3.505 1.00 0.39 N ATOM 733 CA LYS A 46 -10.926 -6.184 -2.478 1.00 0.50 C ATOM 734 C LYS A 46 -10.510 -5.731 -1.081 1.00 0.50 C ATOM 735 O LYS A 46 -9.366 -5.941 -0.669 1.00 0.62 O ATOM 736 CB LYS A 46 -10.631 -7.667 -2.669 1.00 0.74 C ATOM 737 CG LYS A 46 -11.102 -8.175 -4.016 1.00 0.90 C ATOM 738 CD LYS A 46 -10.215 -9.279 -4.555 1.00 0.94 C ATOM 739 CE LYS A 46 -8.878 -8.724 -5.007 1.00 0.72 C ATOM 740 NZ LYS A 46 -8.077 -9.740 -5.746 1.00 1.45 N ATOM 0 H LYS A 46 -9.509 -5.974 -3.991 1.00 0.39 H new ATOM 0 HA LYS A 46 -11.997 -6.001 -2.569 1.00 0.50 H new ATOM 0 HB2 LYS A 46 -9.559 -7.838 -2.573 1.00 0.74 H new ATOM 0 HB3 LYS A 46 -11.117 -8.237 -1.877 1.00 0.74 H new ATOM 0 HG2 LYS A 46 -12.124 -8.544 -3.926 1.00 0.90 H new ATOM 0 HG3 LYS A 46 -11.123 -7.349 -4.727 1.00 0.90 H new ATOM 0 HD2 LYS A 46 -10.059 -10.034 -3.785 1.00 0.94 H new ATOM 0 HD3 LYS A 46 -10.710 -9.774 -5.391 1.00 0.94 H new ATOM 0 HE2 LYS A 46 -9.042 -7.856 -5.646 1.00 0.72 H new ATOM 0 HE3 LYS A 46 -8.316 -8.379 -4.139 1.00 0.72 H new ATOM 0 HZ1 LYS A 46 -7.422 -9.260 -6.395 1.00 1.45 H new ATOM 0 HZ2 LYS A 46 -7.535 -10.314 -5.069 1.00 1.45 H new ATOM 0 HZ3 LYS A 46 -8.714 -10.356 -6.290 1.00 1.45 H new ATOM 754 N GLY A 47 -11.434 -5.100 -0.356 1.00 0.57 N ATOM 755 CA GLY A 47 -11.175 -4.799 1.037 1.00 0.68 C ATOM 756 C GLY A 47 -11.212 -3.324 1.354 1.00 0.51 C ATOM 757 O GLY A 47 -10.694 -2.890 2.378 1.00 0.60 O ATOM 0 H GLY A 47 -12.343 -4.797 -0.705 1.00 0.57 H new ATOM 0 HA2 GLY A 47 -11.912 -5.313 1.654 1.00 0.68 H new ATOM 0 HA3 GLY A 47 -10.197 -5.196 1.310 1.00 0.68 H new ATOM 761 N SER A 48 -11.837 -2.550 0.486 1.00 0.54 N ATOM 762 CA SER A 48 -11.954 -1.120 0.704 1.00 0.72 C ATOM 763 C SER A 48 -12.913 -0.820 1.858 1.00 1.02 C ATOM 764 O SER A 48 -12.524 -0.258 2.879 1.00 1.43 O ATOM 765 CB SER A 48 -12.473 -0.479 -0.580 1.00 0.82 C ATOM 766 OG SER A 48 -12.556 0.931 -0.475 1.00 1.31 O ATOM 0 H SER A 48 -12.270 -2.886 -0.374 1.00 0.54 H new ATOM 0 HA SER A 48 -10.977 -0.713 0.966 1.00 0.72 H new ATOM 0 HB2 SER A 48 -11.815 -0.742 -1.408 1.00 0.82 H new ATOM 0 HB3 SER A 48 -13.458 -0.883 -0.814 1.00 0.82 H new ATOM 0 HG SER A 48 -12.809 1.309 -1.343 1.00 1.31 H new ATOM 772 N MET A 49 -14.163 -1.213 1.676 1.00 1.18 N ATOM 773 CA MET A 49 -15.200 -1.040 2.683 1.00 1.58 C ATOM 774 C MET A 49 -15.860 -2.374 2.975 1.00 1.30 C ATOM 775 O MET A 49 -17.070 -2.437 3.171 1.00 1.70 O ATOM 776 CB MET A 49 -16.235 -0.006 2.246 1.00 2.49 C ATOM 777 CG MET A 49 -15.740 1.430 2.341 1.00 3.25 C ATOM 778 SD MET A 49 -15.325 1.911 4.029 1.00 4.35 S ATOM 779 CE MET A 49 -14.866 3.626 3.788 1.00 5.15 C ATOM 0 H MET A 49 -14.490 -1.664 0.821 1.00 1.18 H new ATOM 0 HA MET A 49 -14.735 -0.667 3.595 1.00 1.58 H new ATOM 0 HB2 MET A 49 -16.530 -0.212 1.217 1.00 2.49 H new ATOM 0 HB3 MET A 49 -17.128 -0.115 2.862 1.00 2.49 H new ATOM 0 HG2 MET A 49 -14.862 1.550 1.707 1.00 3.25 H new ATOM 0 HG3 MET A 49 -16.507 2.101 1.954 1.00 3.25 H new ATOM 0 HE1 MET A 49 -14.583 4.065 4.745 1.00 5.15 H new ATOM 0 HE2 MET A 49 -14.024 3.684 3.099 1.00 5.15 H new ATOM 0 HE3 MET A 49 -15.712 4.174 3.374 1.00 5.15 H new ATOM 789 N ARG A 50 -15.051 -3.436 2.932 1.00 0.89 N ATOM 790 CA ARG A 50 -15.507 -4.834 3.052 1.00 1.28 C ATOM 791 C ARG A 50 -16.214 -5.138 4.400 1.00 1.22 C ATOM 792 O ARG A 50 -16.277 -6.281 4.845 1.00 1.55 O ATOM 793 CB ARG A 50 -14.289 -5.757 2.852 1.00 1.65 C ATOM 794 CG ARG A 50 -14.617 -7.241 2.754 1.00 2.14 C ATOM 795 CD ARG A 50 -15.533 -7.547 1.582 1.00 2.26 C ATOM 796 NE ARG A 50 -16.045 -8.918 1.632 1.00 3.05 N ATOM 797 CZ ARG A 50 -17.329 -9.245 1.464 1.00 3.84 C ATOM 798 NH1 ARG A 50 -18.240 -8.307 1.240 1.00 4.04 N ATOM 799 NH2 ARG A 50 -17.710 -10.513 1.530 1.00 4.74 N ATOM 0 H ARG A 50 -14.042 -3.353 2.811 1.00 0.89 H new ATOM 0 HA ARG A 50 -16.259 -5.013 2.284 1.00 1.28 H new ATOM 0 HB2 ARG A 50 -13.768 -5.454 1.944 1.00 1.65 H new ATOM 0 HB3 ARG A 50 -13.598 -5.607 3.681 1.00 1.65 H new ATOM 0 HG2 ARG A 50 -13.693 -7.810 2.650 1.00 2.14 H new ATOM 0 HG3 ARG A 50 -15.091 -7.569 3.679 1.00 2.14 H new ATOM 0 HD2 ARG A 50 -16.369 -6.847 1.582 1.00 2.26 H new ATOM 0 HD3 ARG A 50 -14.991 -7.396 0.649 1.00 2.26 H new ATOM 0 HE ARG A 50 -15.379 -9.671 1.806 1.00 3.05 H new ATOM 0 HH11 ARG A 50 -17.962 -7.327 1.195 1.00 4.04 H new ATOM 0 HH12 ARG A 50 -19.218 -8.566 1.113 1.00 4.04 H new ATOM 0 HH21 ARG A 50 -17.021 -11.244 1.710 1.00 4.74 H new ATOM 0 HH22 ARG A 50 -18.692 -10.758 1.401 1.00 4.74 H new ATOM 813 N ASP A 51 -16.773 -4.119 5.025 1.00 0.99 N ATOM 814 CA ASP A 51 -17.506 -4.281 6.267 1.00 1.15 C ATOM 815 C ASP A 51 -18.894 -4.829 5.960 1.00 1.27 C ATOM 816 O ASP A 51 -19.498 -4.463 4.949 1.00 1.24 O ATOM 817 CB ASP A 51 -17.617 -2.936 6.983 1.00 1.25 C ATOM 818 CG ASP A 51 -18.099 -3.064 8.412 1.00 1.85 C ATOM 819 OD1 ASP A 51 -19.218 -3.564 8.636 1.00 2.67 O ATOM 820 OD2 ASP A 51 -17.371 -2.626 9.323 1.00 1.97 O ATOM 0 H ASP A 51 -16.732 -3.157 4.687 1.00 0.99 H new ATOM 0 HA ASP A 51 -16.978 -4.979 6.917 1.00 1.15 H new ATOM 0 HB2 ASP A 51 -16.643 -2.446 6.976 1.00 1.25 H new ATOM 0 HB3 ASP A 51 -18.302 -2.292 6.431 1.00 1.25 H new ATOM 825 N LYS A 52 -19.395 -5.696 6.830 1.00 1.46 N ATOM 826 CA LYS A 52 -20.673 -6.355 6.605 1.00 1.63 C ATOM 827 C LYS A 52 -21.814 -5.343 6.522 1.00 1.60 C ATOM 828 O LYS A 52 -22.798 -5.555 5.808 1.00 1.65 O ATOM 829 CB LYS A 52 -20.944 -7.373 7.711 1.00 1.89 C ATOM 830 CG LYS A 52 -22.173 -8.234 7.459 1.00 2.13 C ATOM 831 CD LYS A 52 -22.333 -9.311 8.519 1.00 2.73 C ATOM 832 CE LYS A 52 -21.149 -10.264 8.528 1.00 3.39 C ATOM 833 NZ LYS A 52 -21.325 -11.352 9.524 1.00 4.02 N ATOM 0 H LYS A 52 -18.933 -5.959 7.701 1.00 1.46 H new ATOM 0 HA LYS A 52 -20.619 -6.876 5.649 1.00 1.63 H new ATOM 0 HB2 LYS A 52 -20.073 -8.020 7.819 1.00 1.89 H new ATOM 0 HB3 LYS A 52 -21.068 -6.845 8.657 1.00 1.89 H new ATOM 0 HG2 LYS A 52 -23.062 -7.603 7.444 1.00 2.13 H new ATOM 0 HG3 LYS A 52 -22.096 -8.699 6.476 1.00 2.13 H new ATOM 0 HD2 LYS A 52 -22.434 -8.846 9.499 1.00 2.73 H new ATOM 0 HD3 LYS A 52 -23.250 -9.870 8.335 1.00 2.73 H new ATOM 0 HE2 LYS A 52 -21.023 -10.697 7.535 1.00 3.39 H new ATOM 0 HE3 LYS A 52 -20.238 -9.710 8.752 1.00 3.39 H new ATOM 0 HZ1 LYS A 52 -20.497 -11.981 9.500 1.00 4.02 H new ATOM 0 HZ2 LYS A 52 -21.420 -10.941 10.474 1.00 4.02 H new ATOM 0 HZ3 LYS A 52 -22.181 -11.897 9.295 1.00 4.02 H new ATOM 847 N LYS A 53 -21.683 -4.233 7.232 1.00 1.58 N ATOM 848 CA LYS A 53 -22.711 -3.213 7.172 1.00 1.61 C ATOM 849 C LYS A 53 -22.792 -2.637 5.761 1.00 1.43 C ATOM 850 O LYS A 53 -23.865 -2.591 5.164 1.00 1.45 O ATOM 851 CB LYS A 53 -22.480 -2.092 8.199 1.00 1.70 C ATOM 852 CG LYS A 53 -21.153 -1.361 8.057 1.00 1.61 C ATOM 853 CD LYS A 53 -21.114 -0.107 8.914 1.00 1.81 C ATOM 854 CE LYS A 53 -19.734 0.535 8.935 1.00 2.29 C ATOM 855 NZ LYS A 53 -18.768 -0.253 9.747 1.00 2.51 N ATOM 0 H LYS A 53 -20.894 -4.020 7.842 1.00 1.58 H new ATOM 0 HA LYS A 53 -23.660 -3.687 7.425 1.00 1.61 H new ATOM 0 HB2 LYS A 53 -23.289 -1.367 8.113 1.00 1.70 H new ATOM 0 HB3 LYS A 53 -22.539 -2.518 9.201 1.00 1.70 H new ATOM 0 HG2 LYS A 53 -20.338 -2.025 8.345 1.00 1.61 H new ATOM 0 HG3 LYS A 53 -20.993 -1.094 7.012 1.00 1.61 H new ATOM 0 HD2 LYS A 53 -21.841 0.612 8.536 1.00 1.81 H new ATOM 0 HD3 LYS A 53 -21.412 -0.356 9.932 1.00 1.81 H new ATOM 0 HE2 LYS A 53 -19.361 0.627 7.915 1.00 2.29 H new ATOM 0 HE3 LYS A 53 -19.809 1.545 9.339 1.00 2.29 H new ATOM 0 HZ1 LYS A 53 -18.409 0.335 10.526 1.00 2.51 H new ATOM 0 HZ2 LYS A 53 -19.245 -1.091 10.137 1.00 2.51 H new ATOM 0 HZ3 LYS A 53 -17.974 -0.554 9.146 1.00 2.51 H new ATOM 869 N LYS A 54 -21.644 -2.249 5.208 1.00 1.31 N ATOM 870 CA LYS A 54 -21.606 -1.586 3.911 1.00 1.17 C ATOM 871 C LYS A 54 -22.225 -2.476 2.839 1.00 1.19 C ATOM 872 O LYS A 54 -22.977 -2.016 1.990 1.00 1.21 O ATOM 873 CB LYS A 54 -20.169 -1.238 3.522 1.00 1.09 C ATOM 874 CG LYS A 54 -19.976 0.210 3.085 1.00 1.22 C ATOM 875 CD LYS A 54 -19.753 1.126 4.277 1.00 1.37 C ATOM 876 CE LYS A 54 -19.283 2.511 3.845 1.00 1.53 C ATOM 877 NZ LYS A 54 -20.335 3.270 3.113 1.00 2.16 N ATOM 0 H LYS A 54 -20.730 -2.383 5.640 1.00 1.31 H new ATOM 0 HA LYS A 54 -22.183 -0.664 3.988 1.00 1.17 H new ATOM 0 HB2 LYS A 54 -19.515 -1.441 4.370 1.00 1.09 H new ATOM 0 HB3 LYS A 54 -19.854 -1.896 2.712 1.00 1.09 H new ATOM 0 HG2 LYS A 54 -19.124 0.277 2.409 1.00 1.22 H new ATOM 0 HG3 LYS A 54 -20.852 0.543 2.528 1.00 1.22 H new ATOM 0 HD2 LYS A 54 -20.679 1.217 4.844 1.00 1.37 H new ATOM 0 HD3 LYS A 54 -19.013 0.682 4.943 1.00 1.37 H new ATOM 0 HE2 LYS A 54 -18.977 3.078 4.724 1.00 1.53 H new ATOM 0 HE3 LYS A 54 -18.404 2.410 3.209 1.00 1.53 H new ATOM 0 HZ1 LYS A 54 -19.965 4.203 2.842 1.00 2.16 H new ATOM 0 HZ2 LYS A 54 -20.610 2.745 2.258 1.00 2.16 H new ATOM 0 HZ3 LYS A 54 -21.166 3.392 3.727 1.00 2.16 H new ATOM 891 N GLU A 55 -21.923 -3.758 2.895 1.00 1.26 N ATOM 892 CA GLU A 55 -22.435 -4.691 1.906 1.00 1.33 C ATOM 893 C GLU A 55 -23.935 -4.910 2.060 1.00 1.46 C ATOM 894 O GLU A 55 -24.592 -5.406 1.146 1.00 1.53 O ATOM 895 CB GLU A 55 -21.692 -6.022 1.962 1.00 1.44 C ATOM 896 CG GLU A 55 -21.569 -6.586 3.359 1.00 1.58 C ATOM 897 CD GLU A 55 -21.322 -8.078 3.359 1.00 1.79 C ATOM 898 OE1 GLU A 55 -22.141 -8.818 2.774 1.00 1.96 O ATOM 899 OE2 GLU A 55 -20.309 -8.522 3.933 1.00 2.05 O ATOM 0 H GLU A 55 -21.329 -4.178 3.610 1.00 1.26 H new ATOM 0 HA GLU A 55 -22.262 -4.244 0.927 1.00 1.33 H new ATOM 0 HB2 GLU A 55 -22.210 -6.745 1.331 1.00 1.44 H new ATOM 0 HB3 GLU A 55 -20.694 -5.890 1.543 1.00 1.44 H new ATOM 0 HG2 GLU A 55 -20.752 -6.085 3.879 1.00 1.58 H new ATOM 0 HG3 GLU A 55 -22.481 -6.372 3.916 1.00 1.58 H new ATOM 906 N GLU A 56 -24.469 -4.600 3.230 1.00 1.51 N ATOM 907 CA GLU A 56 -25.910 -4.664 3.433 1.00 1.64 C ATOM 908 C GLU A 56 -26.639 -3.559 2.668 1.00 1.57 C ATOM 909 O GLU A 56 -27.437 -3.848 1.781 1.00 1.62 O ATOM 910 CB GLU A 56 -26.274 -4.599 4.916 1.00 1.78 C ATOM 911 CG GLU A 56 -25.977 -5.878 5.678 1.00 1.87 C ATOM 912 CD GLU A 56 -26.781 -5.987 6.955 1.00 2.05 C ATOM 913 OE1 GLU A 56 -27.907 -6.522 6.916 1.00 2.33 O ATOM 914 OE2 GLU A 56 -26.285 -5.539 8.014 1.00 2.40 O ATOM 0 H GLU A 56 -23.934 -4.304 4.047 1.00 1.51 H new ATOM 0 HA GLU A 56 -26.236 -5.627 3.040 1.00 1.64 H new ATOM 0 HB2 GLU A 56 -25.728 -3.777 5.379 1.00 1.78 H new ATOM 0 HB3 GLU A 56 -27.335 -4.370 5.010 1.00 1.78 H new ATOM 0 HG2 GLU A 56 -26.193 -6.736 5.041 1.00 1.87 H new ATOM 0 HG3 GLU A 56 -24.914 -5.918 5.916 1.00 1.87 H new ATOM 921 N GLN A 57 -26.368 -2.297 2.993 1.00 1.48 N ATOM 922 CA GLN A 57 -27.119 -1.193 2.377 1.00 1.47 C ATOM 923 C GLN A 57 -26.294 -0.467 1.314 1.00 1.36 C ATOM 924 O GLN A 57 -26.817 -0.078 0.267 1.00 1.40 O ATOM 925 CB GLN A 57 -27.641 -0.193 3.426 1.00 1.55 C ATOM 926 CG GLN A 57 -26.558 0.564 4.184 1.00 1.59 C ATOM 927 CD GLN A 57 -25.791 -0.320 5.139 1.00 1.75 C ATOM 928 OE1 GLN A 57 -26.343 -1.252 5.717 1.00 2.37 O ATOM 929 NE2 GLN A 57 -24.508 -0.053 5.291 1.00 1.85 N ATOM 0 H GLN A 57 -25.653 -2.012 3.662 1.00 1.48 H new ATOM 0 HA GLN A 57 -27.981 -1.645 1.887 1.00 1.47 H new ATOM 0 HB2 GLN A 57 -28.288 0.529 2.928 1.00 1.55 H new ATOM 0 HB3 GLN A 57 -28.258 -0.732 4.145 1.00 1.55 H new ATOM 0 HG2 GLN A 57 -25.865 1.010 3.471 1.00 1.59 H new ATOM 0 HG3 GLN A 57 -27.014 1.383 4.740 1.00 1.59 H new ATOM 0 HE21 GLN A 57 -24.088 0.731 4.792 1.00 1.85 H new ATOM 0 HE22 GLN A 57 -23.936 -0.631 5.907 1.00 1.85 H new ATOM 938 N ASN A 58 -25.004 -0.299 1.567 1.00 1.27 N ATOM 939 CA ASN A 58 -24.124 0.376 0.615 1.00 1.21 C ATOM 940 C ASN A 58 -23.651 -0.606 -0.450 1.00 1.16 C ATOM 941 O ASN A 58 -22.725 -0.322 -1.208 1.00 1.13 O ATOM 942 CB ASN A 58 -22.918 1.008 1.317 1.00 1.21 C ATOM 943 CG ASN A 58 -23.313 1.995 2.396 1.00 1.55 C ATOM 944 OD1 ASN A 58 -23.414 1.637 3.564 1.00 2.20 O ATOM 945 ND2 ASN A 58 -23.544 3.240 2.018 1.00 1.95 N ATOM 0 H ASN A 58 -24.542 -0.618 2.419 1.00 1.27 H new ATOM 0 HA ASN A 58 -24.695 1.175 0.142 1.00 1.21 H new ATOM 0 HB2 ASN A 58 -22.307 0.220 1.758 1.00 1.21 H new ATOM 0 HB3 ASN A 58 -22.298 1.515 0.577 1.00 1.21 H new ATOM 0 HD21 ASN A 58 -23.817 3.940 2.708 1.00 1.95 H new ATOM 0 HD22 ASN A 58 -23.450 3.501 1.036 1.00 1.95 H new ATOM 952 N ARG A 59 -24.262 -1.786 -0.452 1.00 1.20 N ATOM 953 CA ARG A 59 -24.054 -2.776 -1.502 1.00 1.22 C ATOM 954 C ARG A 59 -24.185 -2.145 -2.890 1.00 1.19 C ATOM 955 O ARG A 59 -25.106 -1.369 -3.148 1.00 1.24 O ATOM 956 CB ARG A 59 -25.055 -3.926 -1.365 1.00 1.36 C ATOM 957 CG ARG A 59 -26.511 -3.498 -1.449 1.00 1.47 C ATOM 958 CD ARG A 59 -27.452 -4.667 -1.194 1.00 1.69 C ATOM 959 NE ARG A 59 -28.857 -4.253 -1.170 1.00 2.08 N ATOM 960 CZ ARG A 59 -29.793 -4.819 -0.400 1.00 2.67 C ATOM 961 NH1 ARG A 59 -29.466 -5.772 0.462 1.00 2.95 N ATOM 962 NH2 ARG A 59 -31.052 -4.408 -0.475 1.00 3.45 N ATOM 0 H ARG A 59 -24.915 -2.083 0.274 1.00 1.20 H new ATOM 0 HA ARG A 59 -23.042 -3.166 -1.390 1.00 1.22 H new ATOM 0 HB2 ARG A 59 -24.858 -4.659 -2.147 1.00 1.36 H new ATOM 0 HB3 ARG A 59 -24.889 -4.425 -0.410 1.00 1.36 H new ATOM 0 HG2 ARG A 59 -26.702 -2.710 -0.720 1.00 1.47 H new ATOM 0 HG3 ARG A 59 -26.711 -3.077 -2.434 1.00 1.47 H new ATOM 0 HD2 ARG A 59 -27.310 -5.420 -1.969 1.00 1.69 H new ATOM 0 HD3 ARG A 59 -27.197 -5.135 -0.243 1.00 1.69 H new ATOM 0 HE ARG A 59 -29.139 -3.485 -1.779 1.00 2.08 H new ATOM 0 HH11 ARG A 59 -28.496 -6.077 0.541 1.00 2.95 H new ATOM 0 HH12 ARG A 59 -30.184 -6.200 1.046 1.00 2.95 H new ATOM 0 HH21 ARG A 59 -31.307 -3.660 -1.120 1.00 3.45 H new ATOM 0 HH22 ARG A 59 -31.765 -4.840 0.112 1.00 3.45 H new ATOM 976 N GLY A 60 -23.246 -2.467 -3.766 1.00 1.15 N ATOM 977 CA GLY A 60 -23.275 -1.950 -5.127 1.00 1.15 C ATOM 978 C GLY A 60 -22.565 -0.613 -5.276 1.00 1.07 C ATOM 979 O GLY A 60 -22.356 -0.137 -6.389 1.00 1.09 O ATOM 0 H GLY A 60 -22.458 -3.081 -3.561 1.00 1.15 H new ATOM 0 HA2 GLY A 60 -22.812 -2.676 -5.795 1.00 1.15 H new ATOM 0 HA3 GLY A 60 -24.312 -1.841 -5.445 1.00 1.15 H new ATOM 983 N LYS A 61 -22.193 -0.008 -4.158 1.00 1.00 N ATOM 984 CA LYS A 61 -21.544 1.302 -4.164 1.00 0.95 C ATOM 985 C LYS A 61 -20.032 1.162 -4.379 1.00 0.80 C ATOM 986 O LYS A 61 -19.512 0.053 -4.296 1.00 0.77 O ATOM 987 CB LYS A 61 -21.853 2.068 -2.870 1.00 1.04 C ATOM 988 CG LYS A 61 -23.251 2.691 -2.828 1.00 1.55 C ATOM 989 CD LYS A 61 -24.349 1.642 -2.877 1.00 2.06 C ATOM 990 CE LYS A 61 -25.735 2.254 -2.784 1.00 2.55 C ATOM 991 NZ LYS A 61 -26.787 1.205 -2.765 1.00 3.16 N ATOM 0 H LYS A 61 -22.329 -0.403 -3.228 1.00 1.00 H new ATOM 0 HA LYS A 61 -21.946 1.878 -4.998 1.00 0.95 H new ATOM 0 HB2 LYS A 61 -21.745 1.389 -2.024 1.00 1.04 H new ATOM 0 HB3 LYS A 61 -21.112 2.857 -2.742 1.00 1.04 H new ATOM 0 HG2 LYS A 61 -23.356 3.282 -1.918 1.00 1.55 H new ATOM 0 HG3 LYS A 61 -23.367 3.376 -3.668 1.00 1.55 H new ATOM 0 HD2 LYS A 61 -24.266 1.075 -3.804 1.00 2.06 H new ATOM 0 HD3 LYS A 61 -24.210 0.936 -2.058 1.00 2.06 H new ATOM 0 HE2 LYS A 61 -25.807 2.861 -1.882 1.00 2.55 H new ATOM 0 HE3 LYS A 61 -25.898 2.921 -3.631 1.00 2.55 H new ATOM 0 HZ1 LYS A 61 -27.461 1.375 -3.538 1.00 3.16 H new ATOM 0 HZ2 LYS A 61 -26.348 0.270 -2.888 1.00 3.16 H new ATOM 0 HZ3 LYS A 61 -27.290 1.234 -1.855 1.00 3.16 H new ATOM 1005 N PRO A 62 -19.330 2.288 -4.699 1.00 0.77 N ATOM 1006 CA PRO A 62 -17.877 2.370 -4.965 1.00 0.66 C ATOM 1007 C PRO A 62 -16.990 1.325 -4.299 1.00 0.58 C ATOM 1008 O PRO A 62 -16.025 0.847 -4.893 1.00 0.51 O ATOM 1009 CB PRO A 62 -17.567 3.724 -4.353 1.00 0.70 C ATOM 1010 CG PRO A 62 -18.739 4.567 -4.727 1.00 0.81 C ATOM 1011 CD PRO A 62 -19.918 3.627 -4.885 1.00 0.85 C ATOM 0 HA PRO A 62 -17.674 2.213 -6.024 1.00 0.66 H new ATOM 0 HB2 PRO A 62 -17.453 3.656 -3.271 1.00 0.70 H new ATOM 0 HB3 PRO A 62 -16.638 4.136 -4.746 1.00 0.70 H new ATOM 0 HG2 PRO A 62 -18.940 5.314 -3.959 1.00 0.81 H new ATOM 0 HG3 PRO A 62 -18.547 5.107 -5.654 1.00 0.81 H new ATOM 0 HD2 PRO A 62 -20.693 3.830 -4.145 1.00 0.85 H new ATOM 0 HD3 PRO A 62 -20.381 3.728 -5.867 1.00 0.85 H new ATOM 1019 N ASN A 63 -17.340 0.944 -3.097 1.00 0.64 N ATOM 1020 CA ASN A 63 -16.549 -0.001 -2.330 1.00 0.63 C ATOM 1021 C ASN A 63 -16.563 -1.346 -3.016 1.00 0.56 C ATOM 1022 O ASN A 63 -15.545 -2.021 -3.094 1.00 0.51 O ATOM 1023 CB ASN A 63 -17.124 -0.123 -0.926 1.00 0.79 C ATOM 1024 CG ASN A 63 -18.070 1.012 -0.576 1.00 1.09 C ATOM 1025 OD1 ASN A 63 -17.657 2.035 -0.036 1.00 1.93 O ATOM 1026 ND2 ASN A 63 -19.343 0.847 -0.905 1.00 1.06 N ATOM 0 H ASN A 63 -18.178 1.275 -2.618 1.00 0.64 H new ATOM 0 HA ASN A 63 -15.520 0.352 -2.263 1.00 0.63 H new ATOM 0 HB2 ASN A 63 -17.653 -1.072 -0.836 1.00 0.79 H new ATOM 0 HB3 ASN A 63 -16.307 -0.144 -0.205 1.00 0.79 H new ATOM 0 HD21 ASN A 63 -20.020 1.585 -0.711 1.00 1.06 H new ATOM 0 HD22 ASN A 63 -19.646 -0.018 -1.352 1.00 1.06 H new ATOM 1033 N TRP A 64 -17.720 -1.703 -3.533 1.00 0.61 N ATOM 1034 CA TRP A 64 -17.899 -2.937 -4.257 1.00 0.62 C ATOM 1035 C TRP A 64 -17.640 -2.687 -5.718 1.00 0.60 C ATOM 1036 O TRP A 64 -17.265 -3.586 -6.448 1.00 0.66 O ATOM 1037 CB TRP A 64 -19.303 -3.463 -4.040 1.00 0.78 C ATOM 1038 CG TRP A 64 -19.723 -3.251 -2.626 1.00 0.88 C ATOM 1039 CD1 TRP A 64 -20.694 -2.424 -2.175 1.00 1.00 C ATOM 1040 CD2 TRP A 64 -19.116 -3.828 -1.473 1.00 0.93 C ATOM 1041 NE1 TRP A 64 -20.749 -2.458 -0.806 1.00 1.09 N ATOM 1042 CE2 TRP A 64 -19.787 -3.320 -0.350 1.00 1.05 C ATOM 1043 CE3 TRP A 64 -18.077 -4.736 -1.286 1.00 0.96 C ATOM 1044 CZ2 TRP A 64 -19.442 -3.688 0.945 1.00 1.16 C ATOM 1045 CZ3 TRP A 64 -17.735 -5.100 -0.006 1.00 1.10 C ATOM 1046 CH2 TRP A 64 -18.417 -4.579 1.099 1.00 1.18 C ATOM 0 H TRP A 64 -18.567 -1.139 -3.460 1.00 0.61 H new ATOM 0 HA TRP A 64 -17.197 -3.688 -3.895 1.00 0.62 H new ATOM 0 HB2 TRP A 64 -19.996 -2.957 -4.712 1.00 0.78 H new ATOM 0 HB3 TRP A 64 -19.342 -4.525 -4.283 1.00 0.78 H new ATOM 0 HD1 TRP A 64 -21.334 -1.823 -2.804 1.00 1.00 H new ATOM 0 HE1 TRP A 64 -21.398 -1.929 -0.224 1.00 1.09 H new ATOM 0 HE3 TRP A 64 -17.549 -5.147 -2.133 1.00 0.96 H new ATOM 0 HZ2 TRP A 64 -19.965 -3.284 1.799 1.00 1.16 H new ATOM 0 HZ3 TRP A 64 -16.927 -5.799 0.150 1.00 1.10 H new ATOM 0 HH2 TRP A 64 -18.128 -4.887 2.093 1.00 1.18 H new ATOM 1057 N GLU A 65 -17.837 -1.436 -6.118 1.00 0.57 N ATOM 1058 CA GLU A 65 -17.539 -0.996 -7.467 1.00 0.55 C ATOM 1059 C GLU A 65 -16.098 -1.324 -7.832 1.00 0.48 C ATOM 1060 O GLU A 65 -15.822 -1.870 -8.896 1.00 0.51 O ATOM 1061 CB GLU A 65 -17.787 0.501 -7.596 1.00 0.59 C ATOM 1062 CG GLU A 65 -17.183 1.112 -8.845 1.00 0.69 C ATOM 1063 CD GLU A 65 -17.596 2.556 -9.038 1.00 1.11 C ATOM 1064 OE1 GLU A 65 -16.922 3.450 -8.478 1.00 1.28 O ATOM 1065 OE2 GLU A 65 -18.592 2.806 -9.744 1.00 1.59 O ATOM 0 H GLU A 65 -18.207 -0.702 -5.514 1.00 0.57 H new ATOM 0 HA GLU A 65 -18.197 -1.524 -8.157 1.00 0.55 H new ATOM 0 HB2 GLU A 65 -18.862 0.684 -7.596 1.00 0.59 H new ATOM 0 HB3 GLU A 65 -17.377 1.005 -6.721 1.00 0.59 H new ATOM 0 HG2 GLU A 65 -16.096 1.052 -8.786 1.00 0.69 H new ATOM 0 HG3 GLU A 65 -17.488 0.530 -9.715 1.00 0.69 H new ATOM 1072 N HIS A 66 -15.180 -0.980 -6.946 1.00 0.43 N ATOM 1073 CA HIS A 66 -13.779 -1.311 -7.149 1.00 0.38 C ATOM 1074 C HIS A 66 -13.393 -2.585 -6.398 1.00 0.36 C ATOM 1075 O HIS A 66 -12.242 -2.996 -6.436 1.00 0.35 O ATOM 1076 CB HIS A 66 -12.849 -0.143 -6.784 1.00 0.38 C ATOM 1077 CG HIS A 66 -13.055 0.440 -5.422 1.00 0.40 C ATOM 1078 ND1 HIS A 66 -13.349 1.771 -5.206 1.00 0.47 N ATOM 1079 CD2 HIS A 66 -12.949 -0.120 -4.203 1.00 0.40 C ATOM 1080 CE1 HIS A 66 -13.401 2.003 -3.909 1.00 0.52 C ATOM 1081 NE2 HIS A 66 -13.160 0.874 -3.272 1.00 0.47 N ATOM 0 H HIS A 66 -15.377 -0.474 -6.083 1.00 0.43 H new ATOM 0 HA HIS A 66 -13.649 -1.500 -8.215 1.00 0.38 H new ATOM 0 HB2 HIS A 66 -11.817 -0.485 -6.862 1.00 0.38 H new ATOM 0 HB3 HIS A 66 -12.980 0.648 -7.523 1.00 0.38 H new ATOM 0 HD1 HIS A 66 -13.502 2.467 -5.936 1.00 0.47 H new ATOM 0 HD2 HIS A 66 -12.737 -1.158 -3.993 1.00 0.40 H new ATOM 0 HE1 HIS A 66 -13.606 2.957 -3.446 1.00 0.52 H new ATOM 1090 N LEU A 67 -14.358 -3.197 -5.711 1.00 0.38 N ATOM 1091 CA LEU A 67 -14.123 -4.466 -5.007 1.00 0.40 C ATOM 1092 C LEU A 67 -13.841 -5.567 -6.022 1.00 0.41 C ATOM 1093 O LEU A 67 -13.306 -6.623 -5.695 1.00 0.43 O ATOM 1094 CB LEU A 67 -15.350 -4.842 -4.163 1.00 0.48 C ATOM 1095 CG LEU A 67 -15.088 -5.504 -2.800 1.00 0.71 C ATOM 1096 CD1 LEU A 67 -14.463 -6.878 -2.951 1.00 1.01 C ATOM 1097 CD2 LEU A 67 -14.220 -4.614 -1.927 1.00 1.59 C ATOM 0 H LEU A 67 -15.309 -2.839 -5.625 1.00 0.38 H new ATOM 0 HA LEU A 67 -13.264 -4.350 -4.346 1.00 0.40 H new ATOM 0 HB2 LEU A 67 -15.933 -3.937 -3.993 1.00 0.48 H new ATOM 0 HB3 LEU A 67 -15.972 -5.516 -4.752 1.00 0.48 H new ATOM 0 HG LEU A 67 -16.054 -5.635 -2.312 1.00 0.71 H new ATOM 0 HD11 LEU A 67 -14.294 -7.311 -1.965 1.00 1.01 H new ATOM 0 HD12 LEU A 67 -15.133 -7.522 -3.520 1.00 1.01 H new ATOM 0 HD13 LEU A 67 -13.512 -6.789 -3.476 1.00 1.01 H new ATOM 0 HD21 LEU A 67 -14.047 -5.102 -0.968 1.00 1.59 H new ATOM 0 HD22 LEU A 67 -13.265 -4.439 -2.422 1.00 1.59 H new ATOM 0 HD23 LEU A 67 -14.724 -3.661 -1.764 1.00 1.59 H new ATOM 1109 N ASN A 68 -14.205 -5.299 -7.263 1.00 0.43 N ATOM 1110 CA ASN A 68 -13.976 -6.254 -8.344 1.00 0.47 C ATOM 1111 C ASN A 68 -12.648 -5.969 -9.033 1.00 0.44 C ATOM 1112 O ASN A 68 -12.271 -6.638 -9.994 1.00 0.52 O ATOM 1113 CB ASN A 68 -15.141 -6.268 -9.350 1.00 0.57 C ATOM 1114 CG ASN A 68 -15.760 -4.903 -9.567 1.00 0.84 C ATOM 1115 OD1 ASN A 68 -16.779 -4.598 -8.772 1.00 1.86 O flip ATOM 1116 ND2 ASN A 68 -15.341 -4.147 -10.444 1.00 0.58 N flip ATOM 0 H ASN A 68 -14.659 -4.433 -7.552 1.00 0.43 H new ATOM 0 HA ASN A 68 -13.926 -7.251 -7.906 1.00 0.47 H new ATOM 0 HB2 ASN A 68 -14.783 -6.653 -10.305 1.00 0.57 H new ATOM 0 HB3 ASN A 68 -15.909 -6.956 -8.997 1.00 0.57 H new ATOM 0 HD21 ASN A 68 -14.554 -4.430 -11.028 1.00 0.58 H new ATOM 0 HD22 ASN A 68 -15.781 -3.238 -10.586 1.00 0.58 H new ATOM 1123 N GLU A 69 -11.937 -4.974 -8.521 1.00 0.37 N ATOM 1124 CA GLU A 69 -10.567 -4.712 -8.936 1.00 0.37 C ATOM 1125 C GLU A 69 -9.610 -5.453 -8.012 1.00 0.32 C ATOM 1126 O GLU A 69 -10.023 -6.004 -6.988 1.00 0.35 O ATOM 1127 CB GLU A 69 -10.246 -3.214 -8.887 1.00 0.38 C ATOM 1128 CG GLU A 69 -10.955 -2.380 -9.942 1.00 0.45 C ATOM 1129 CD GLU A 69 -10.496 -0.931 -9.935 1.00 1.07 C ATOM 1130 OE1 GLU A 69 -9.390 -0.649 -10.437 1.00 1.39 O ATOM 1131 OE2 GLU A 69 -11.237 -0.064 -9.426 1.00 1.85 O ATOM 0 H GLU A 69 -12.290 -4.331 -7.812 1.00 0.37 H new ATOM 0 HA GLU A 69 -10.452 -5.057 -9.963 1.00 0.37 H new ATOM 0 HB2 GLU A 69 -10.511 -2.831 -7.901 1.00 0.38 H new ATOM 0 HB3 GLU A 69 -9.170 -3.082 -9.001 1.00 0.38 H new ATOM 0 HG2 GLU A 69 -10.773 -2.812 -10.926 1.00 0.45 H new ATOM 0 HG3 GLU A 69 -12.031 -2.419 -9.771 1.00 0.45 H new ATOM 1138 N ASP A 70 -8.336 -5.459 -8.357 1.00 0.32 N ATOM 1139 CA ASP A 70 -7.336 -6.055 -7.490 1.00 0.30 C ATOM 1140 C ASP A 70 -6.761 -4.986 -6.580 1.00 0.22 C ATOM 1141 O ASP A 70 -6.614 -3.833 -6.992 1.00 0.24 O ATOM 1142 CB ASP A 70 -6.228 -6.750 -8.275 1.00 0.41 C ATOM 1143 CG ASP A 70 -5.477 -7.740 -7.407 1.00 0.63 C ATOM 1144 OD1 ASP A 70 -5.970 -8.863 -7.202 1.00 1.21 O ATOM 1145 OD2 ASP A 70 -4.371 -7.396 -6.934 1.00 1.10 O ATOM 0 H ASP A 70 -7.971 -5.062 -9.223 1.00 0.32 H new ATOM 0 HA ASP A 70 -7.822 -6.826 -6.892 1.00 0.30 H new ATOM 0 HB2 ASP A 70 -6.657 -7.267 -9.133 1.00 0.41 H new ATOM 0 HB3 ASP A 70 -5.534 -6.006 -8.666 1.00 0.41 H new ATOM 1150 N LEU A 71 -6.465 -5.372 -5.344 1.00 0.19 N ATOM 1151 CA LEU A 71 -6.128 -4.427 -4.284 1.00 0.17 C ATOM 1152 C LEU A 71 -5.001 -3.478 -4.689 1.00 0.17 C ATOM 1153 O LEU A 71 -3.901 -3.892 -5.036 1.00 0.20 O ATOM 1154 CB LEU A 71 -5.737 -5.180 -3.012 1.00 0.19 C ATOM 1155 CG LEU A 71 -5.623 -4.309 -1.767 1.00 0.41 C ATOM 1156 CD1 LEU A 71 -6.833 -3.398 -1.666 1.00 0.90 C ATOM 1157 CD2 LEU A 71 -5.494 -5.175 -0.523 1.00 0.79 C ATOM 0 H LEU A 71 -6.452 -6.348 -5.048 1.00 0.19 H new ATOM 0 HA LEU A 71 -7.016 -3.823 -4.098 1.00 0.17 H new ATOM 0 HB2 LEU A 71 -6.475 -5.961 -2.827 1.00 0.19 H new ATOM 0 HB3 LEU A 71 -4.782 -5.678 -3.180 1.00 0.19 H new ATOM 0 HG LEU A 71 -4.727 -3.693 -1.844 1.00 0.41 H new ATOM 0 HD11 LEU A 71 -6.747 -2.777 -0.774 1.00 0.90 H new ATOM 0 HD12 LEU A 71 -6.883 -2.761 -2.549 1.00 0.90 H new ATOM 0 HD13 LEU A 71 -7.738 -4.001 -1.602 1.00 0.90 H new ATOM 0 HD21 LEU A 71 -5.414 -4.537 0.357 1.00 0.79 H new ATOM 0 HD22 LEU A 71 -6.373 -5.812 -0.430 1.00 0.79 H new ATOM 0 HD23 LEU A 71 -4.602 -5.797 -0.603 1.00 0.79 H new ATOM 1169 N HIS A 72 -5.315 -2.201 -4.705 1.00 0.17 N ATOM 1170 CA HIS A 72 -4.325 -1.168 -4.917 1.00 0.17 C ATOM 1171 C HIS A 72 -4.728 0.082 -4.158 1.00 0.17 C ATOM 1172 O HIS A 72 -5.904 0.280 -3.871 1.00 0.21 O ATOM 1173 CB HIS A 72 -4.160 -0.872 -6.405 1.00 0.20 C ATOM 1174 CG HIS A 72 -5.408 -0.406 -7.093 1.00 0.23 C ATOM 1175 ND1 HIS A 72 -6.339 -1.274 -7.618 1.00 0.29 N ATOM 1176 CD2 HIS A 72 -5.867 0.839 -7.364 1.00 0.25 C ATOM 1177 CE1 HIS A 72 -7.306 -0.590 -8.188 1.00 0.32 C ATOM 1178 NE2 HIS A 72 -7.049 0.697 -8.050 1.00 0.29 N ATOM 0 H HIS A 72 -6.263 -1.850 -4.571 1.00 0.17 H new ATOM 0 HA HIS A 72 -3.362 -1.515 -4.542 1.00 0.17 H new ATOM 0 HB2 HIS A 72 -3.389 -0.112 -6.527 1.00 0.20 H new ATOM 0 HB3 HIS A 72 -3.801 -1.773 -6.903 1.00 0.20 H new ATOM 0 HD1 HIS A 72 -6.286 -2.292 -7.572 1.00 0.29 H new ATOM 0 HD2 HIS A 72 -5.392 1.770 -7.092 1.00 0.25 H new ATOM 0 HE1 HIS A 72 -8.167 -1.011 -8.686 1.00 0.32 H new ATOM 1187 N VAL A 73 -3.780 0.941 -3.863 1.00 0.19 N ATOM 1188 CA VAL A 73 -4.095 2.181 -3.175 1.00 0.19 C ATOM 1189 C VAL A 73 -4.238 3.292 -4.196 1.00 0.20 C ATOM 1190 O VAL A 73 -3.451 3.387 -5.135 1.00 0.28 O ATOM 1191 CB VAL A 73 -3.037 2.563 -2.113 1.00 0.23 C ATOM 1192 CG1 VAL A 73 -3.052 1.566 -0.963 1.00 0.27 C ATOM 1193 CG2 VAL A 73 -1.645 2.650 -2.723 1.00 0.29 C ATOM 0 H VAL A 73 -2.793 0.811 -4.084 1.00 0.19 H new ATOM 0 HA VAL A 73 -5.033 2.034 -2.639 1.00 0.19 H new ATOM 0 HB VAL A 73 -3.294 3.549 -1.726 1.00 0.23 H new ATOM 0 HG11 VAL A 73 -2.302 1.850 -0.225 1.00 0.27 H new ATOM 0 HG12 VAL A 73 -4.037 1.564 -0.496 1.00 0.27 H new ATOM 0 HG13 VAL A 73 -2.828 0.569 -1.343 1.00 0.27 H new ATOM 0 HG21 VAL A 73 -0.925 2.920 -1.950 1.00 0.29 H new ATOM 0 HG22 VAL A 73 -1.374 1.684 -3.150 1.00 0.29 H new ATOM 0 HG23 VAL A 73 -1.638 3.408 -3.506 1.00 0.29 H new ATOM 1203 N LEU A 74 -5.268 4.097 -4.053 1.00 0.18 N ATOM 1204 CA LEU A 74 -5.519 5.158 -5.004 1.00 0.18 C ATOM 1205 C LEU A 74 -5.713 6.470 -4.298 1.00 0.18 C ATOM 1206 O LEU A 74 -6.616 6.628 -3.480 1.00 0.19 O ATOM 1207 CB LEU A 74 -6.740 4.827 -5.872 1.00 0.22 C ATOM 1208 CG LEU A 74 -7.048 5.818 -7.003 1.00 0.37 C ATOM 1209 CD1 LEU A 74 -7.755 5.117 -8.147 1.00 1.10 C ATOM 1210 CD2 LEU A 74 -7.916 6.957 -6.501 1.00 0.80 C ATOM 0 H LEU A 74 -5.943 4.038 -3.291 1.00 0.18 H new ATOM 0 HA LEU A 74 -4.649 5.246 -5.654 1.00 0.18 H new ATOM 0 HB2 LEU A 74 -6.593 3.840 -6.310 1.00 0.22 H new ATOM 0 HB3 LEU A 74 -7.615 4.761 -5.225 1.00 0.22 H new ATOM 0 HG LEU A 74 -6.100 6.222 -7.358 1.00 0.37 H new ATOM 0 HD11 LEU A 74 -7.965 5.835 -8.939 1.00 1.10 H new ATOM 0 HD12 LEU A 74 -7.118 4.323 -8.537 1.00 1.10 H new ATOM 0 HD13 LEU A 74 -8.691 4.688 -7.788 1.00 1.10 H new ATOM 0 HD21 LEU A 74 -8.121 7.646 -7.320 1.00 0.80 H new ATOM 0 HD22 LEU A 74 -8.855 6.557 -6.119 1.00 0.80 H new ATOM 0 HD23 LEU A 74 -7.396 7.486 -5.703 1.00 0.80 H new ATOM 1222 N ILE A 75 -4.859 7.409 -4.624 1.00 0.19 N ATOM 1223 CA ILE A 75 -5.025 8.751 -4.142 1.00 0.18 C ATOM 1224 C ILE A 75 -5.910 9.525 -5.106 1.00 0.18 C ATOM 1225 O ILE A 75 -5.526 9.818 -6.238 1.00 0.21 O ATOM 1226 CB ILE A 75 -3.671 9.471 -3.949 1.00 0.21 C ATOM 1227 CG1 ILE A 75 -2.682 9.060 -5.039 1.00 0.27 C ATOM 1228 CG2 ILE A 75 -3.104 9.196 -2.563 1.00 0.22 C ATOM 1229 CD1 ILE A 75 -1.380 9.821 -4.994 1.00 0.30 C ATOM 0 H ILE A 75 -4.044 7.266 -5.220 1.00 0.19 H new ATOM 0 HA ILE A 75 -5.500 8.705 -3.162 1.00 0.18 H new ATOM 0 HB ILE A 75 -3.839 10.545 -4.034 1.00 0.21 H new ATOM 0 HG12 ILE A 75 -2.473 7.994 -4.945 1.00 0.27 H new ATOM 0 HG13 ILE A 75 -3.146 9.209 -6.014 1.00 0.27 H new ATOM 0 HG21 ILE A 75 -2.151 9.713 -2.451 1.00 0.22 H new ATOM 0 HG22 ILE A 75 -3.802 9.554 -1.807 1.00 0.22 H new ATOM 0 HG23 ILE A 75 -2.952 8.124 -2.438 1.00 0.22 H new ATOM 0 HD11 ILE A 75 -0.729 9.476 -5.797 1.00 0.30 H new ATOM 0 HD12 ILE A 75 -1.576 10.886 -5.119 1.00 0.30 H new ATOM 0 HD13 ILE A 75 -0.893 9.652 -4.034 1.00 0.30 H new ATOM 1241 N THR A 76 -7.114 9.815 -4.649 1.00 0.17 N ATOM 1242 CA THR A 76 -8.063 10.600 -5.418 1.00 0.20 C ATOM 1243 C THR A 76 -8.082 12.033 -4.915 1.00 0.19 C ATOM 1244 O THR A 76 -8.595 12.306 -3.829 1.00 0.22 O ATOM 1245 CB THR A 76 -9.485 10.040 -5.268 1.00 0.24 C ATOM 1246 OG1 THR A 76 -9.463 8.830 -4.499 1.00 0.25 O ATOM 1247 CG2 THR A 76 -10.110 9.771 -6.615 1.00 0.31 C ATOM 0 H THR A 76 -7.461 9.515 -3.738 1.00 0.17 H new ATOM 0 HA THR A 76 -7.753 10.558 -6.462 1.00 0.20 H new ATOM 0 HB THR A 76 -10.085 10.789 -4.751 1.00 0.24 H new ATOM 0 HG1 THR A 76 -9.639 9.038 -3.557 1.00 0.25 H new ATOM 0 HG21 THR A 76 -11.116 9.375 -6.477 1.00 0.31 H new ATOM 0 HG22 THR A 76 -10.160 10.699 -7.185 1.00 0.31 H new ATOM 0 HG23 THR A 76 -9.506 9.044 -7.158 1.00 0.31 H new ATOM 1255 N VAL A 77 -7.503 12.946 -5.673 1.00 0.23 N ATOM 1256 CA VAL A 77 -7.473 14.336 -5.255 1.00 0.25 C ATOM 1257 C VAL A 77 -8.196 15.231 -6.258 1.00 0.33 C ATOM 1258 O VAL A 77 -7.840 15.285 -7.438 1.00 0.44 O ATOM 1259 CB VAL A 77 -6.022 14.836 -5.038 1.00 0.35 C ATOM 1260 CG1 VAL A 77 -5.216 14.815 -6.324 1.00 0.75 C ATOM 1261 CG2 VAL A 77 -6.019 16.222 -4.423 1.00 0.86 C ATOM 0 H VAL A 77 -7.053 12.755 -6.568 1.00 0.23 H new ATOM 0 HA VAL A 77 -7.997 14.393 -4.301 1.00 0.25 H new ATOM 0 HB VAL A 77 -5.541 14.147 -4.344 1.00 0.35 H new ATOM 0 HG11 VAL A 77 -4.206 15.173 -6.126 1.00 0.75 H new ATOM 0 HG12 VAL A 77 -5.171 13.796 -6.709 1.00 0.75 H new ATOM 0 HG13 VAL A 77 -5.692 15.461 -7.062 1.00 0.75 H new ATOM 0 HG21 VAL A 77 -4.991 16.554 -4.279 1.00 0.86 H new ATOM 0 HG22 VAL A 77 -6.535 16.916 -5.087 1.00 0.86 H new ATOM 0 HG23 VAL A 77 -6.529 16.194 -3.460 1.00 0.86 H new ATOM 1271 N GLU A 78 -9.240 15.906 -5.791 1.00 0.37 N ATOM 1272 CA GLU A 78 -9.962 16.853 -6.629 1.00 0.50 C ATOM 1273 C GLU A 78 -9.177 18.156 -6.699 1.00 0.63 C ATOM 1274 O GLU A 78 -9.358 19.031 -5.851 1.00 0.77 O ATOM 1275 CB GLU A 78 -11.353 17.126 -6.045 1.00 0.63 C ATOM 1276 CG GLU A 78 -12.357 16.012 -6.283 1.00 0.62 C ATOM 1277 CD GLU A 78 -13.201 16.241 -7.522 1.00 1.09 C ATOM 1278 OE1 GLU A 78 -12.650 16.169 -8.640 1.00 1.55 O ATOM 1279 OE2 GLU A 78 -14.415 16.494 -7.389 1.00 1.63 O ATOM 0 H GLU A 78 -9.603 15.815 -4.842 1.00 0.37 H new ATOM 0 HA GLU A 78 -10.076 16.432 -7.628 1.00 0.50 H new ATOM 0 HB2 GLU A 78 -11.258 17.291 -4.972 1.00 0.63 H new ATOM 0 HB3 GLU A 78 -11.741 18.048 -6.477 1.00 0.63 H new ATOM 0 HG2 GLU A 78 -11.827 15.065 -6.379 1.00 0.62 H new ATOM 0 HG3 GLU A 78 -13.010 15.925 -5.414 1.00 0.62 H new ATOM 1286 N ASP A 79 -8.307 18.267 -7.703 1.00 0.66 N ATOM 1287 CA ASP A 79 -7.443 19.436 -7.884 1.00 0.84 C ATOM 1288 C ASP A 79 -6.405 19.121 -8.955 1.00 0.75 C ATOM 1289 O ASP A 79 -5.791 18.057 -8.922 1.00 1.08 O ATOM 1290 CB ASP A 79 -6.722 19.801 -6.581 1.00 1.20 C ATOM 1291 CG ASP A 79 -6.188 21.221 -6.578 1.00 1.67 C ATOM 1292 OD1 ASP A 79 -5.141 21.467 -7.221 1.00 1.81 O ATOM 1293 OD2 ASP A 79 -6.810 22.093 -5.951 1.00 2.05 O ATOM 0 H ASP A 79 -8.181 17.548 -8.415 1.00 0.66 H new ATOM 0 HA ASP A 79 -8.062 20.282 -8.183 1.00 0.84 H new ATOM 0 HB2 ASP A 79 -7.409 19.675 -5.744 1.00 1.20 H new ATOM 0 HB3 ASP A 79 -5.896 19.108 -6.422 1.00 1.20 H new ATOM 1298 N ALA A 80 -6.228 20.021 -9.909 1.00 0.91 N ATOM 1299 CA ALA A 80 -5.298 19.788 -11.012 1.00 1.17 C ATOM 1300 C ALA A 80 -3.953 20.479 -10.782 1.00 1.09 C ATOM 1301 O ALA A 80 -3.186 20.691 -11.727 1.00 1.60 O ATOM 1302 CB ALA A 80 -5.918 20.261 -12.317 1.00 1.85 C ATOM 0 H ALA A 80 -6.712 20.918 -9.946 1.00 0.91 H new ATOM 0 HA ALA A 80 -5.106 18.716 -11.066 1.00 1.17 H new ATOM 0 HB1 ALA A 80 -5.221 20.085 -13.136 1.00 1.85 H new ATOM 0 HB2 ALA A 80 -6.841 19.711 -12.502 1.00 1.85 H new ATOM 0 HB3 ALA A 80 -6.138 21.327 -12.250 1.00 1.85 H new ATOM 1308 N GLN A 81 -3.655 20.816 -9.537 1.00 1.04 N ATOM 1309 CA GLN A 81 -2.444 21.565 -9.227 1.00 1.65 C ATOM 1310 C GLN A 81 -1.423 20.725 -8.466 1.00 0.98 C ATOM 1311 O GLN A 81 -1.767 19.752 -7.779 1.00 0.75 O ATOM 1312 CB GLN A 81 -2.795 22.817 -8.431 1.00 2.75 C ATOM 1313 CG GLN A 81 -3.568 23.845 -9.238 1.00 3.72 C ATOM 1314 CD GLN A 81 -4.331 24.817 -8.367 1.00 4.69 C ATOM 1315 OE1 GLN A 81 -4.844 24.333 -7.248 1.00 5.14 O flip ATOM 1316 NE2 GLN A 81 -4.488 25.987 -8.713 1.00 5.39 N flip ATOM 0 H GLN A 81 -4.231 20.585 -8.727 1.00 1.04 H new ATOM 0 HA GLN A 81 -1.985 21.850 -10.174 1.00 1.65 H new ATOM 0 HB2 GLN A 81 -3.384 22.532 -7.560 1.00 2.75 H new ATOM 0 HB3 GLN A 81 -1.877 23.272 -8.060 1.00 2.75 H new ATOM 0 HG2 GLN A 81 -2.875 24.398 -9.872 1.00 3.72 H new ATOM 0 HG3 GLN A 81 -4.266 23.332 -9.900 1.00 3.72 H new ATOM 0 HE21 GLN A 81 -4.075 26.321 -9.584 1.00 5.39 H new ATOM 0 HE22 GLN A 81 -5.031 26.623 -8.129 1.00 5.39 H new ATOM 1325 N ASN A 82 -0.164 21.141 -8.581 1.00 0.84 N ATOM 1326 CA ASN A 82 0.958 20.419 -7.999 1.00 0.71 C ATOM 1327 C ASN A 82 0.870 20.375 -6.485 1.00 0.59 C ATOM 1328 O ASN A 82 1.108 19.329 -5.896 1.00 0.56 O ATOM 1329 CB ASN A 82 2.287 21.045 -8.424 1.00 1.13 C ATOM 1330 CG ASN A 82 2.623 20.769 -9.878 1.00 1.74 C ATOM 1331 OD1 ASN A 82 3.285 19.779 -10.196 1.00 2.48 O ATOM 1332 ND2 ASN A 82 2.173 21.640 -10.771 1.00 2.28 N ATOM 0 H ASN A 82 0.104 21.989 -9.081 1.00 0.84 H new ATOM 0 HA ASN A 82 0.911 19.396 -8.373 1.00 0.71 H new ATOM 0 HB2 ASN A 82 2.245 22.122 -8.263 1.00 1.13 H new ATOM 0 HB3 ASN A 82 3.086 20.659 -7.791 1.00 1.13 H new ATOM 0 HD21 ASN A 82 2.372 21.503 -11.762 1.00 2.28 H new ATOM 0 HD22 ASN A 82 1.628 22.447 -10.467 1.00 2.28 H new ATOM 1339 N ARG A 83 0.526 21.506 -5.861 1.00 0.65 N ATOM 1340 CA ARG A 83 0.396 21.573 -4.401 1.00 0.63 C ATOM 1341 C ARG A 83 -0.387 20.390 -3.862 1.00 0.46 C ATOM 1342 O ARG A 83 0.084 19.660 -2.983 1.00 0.43 O ATOM 1343 CB ARG A 83 -0.312 22.857 -3.970 1.00 0.81 C ATOM 1344 CG ARG A 83 0.603 24.054 -3.815 1.00 1.66 C ATOM 1345 CD ARG A 83 -0.158 25.264 -3.303 1.00 2.10 C ATOM 1346 NE ARG A 83 -0.872 24.978 -2.060 1.00 2.64 N ATOM 1347 CZ ARG A 83 -0.578 25.538 -0.887 1.00 3.34 C ATOM 1348 NH1 ARG A 83 0.453 26.367 -0.783 1.00 3.68 N ATOM 1349 NH2 ARG A 83 -1.305 25.253 0.183 1.00 4.17 N ATOM 0 H ARG A 83 0.333 22.385 -6.341 1.00 0.65 H new ATOM 0 HA ARG A 83 1.407 21.556 -3.995 1.00 0.63 H new ATOM 0 HB2 ARG A 83 -1.082 23.096 -4.703 1.00 0.81 H new ATOM 0 HB3 ARG A 83 -0.819 22.677 -3.022 1.00 0.81 H new ATOM 0 HG2 ARG A 83 1.411 23.811 -3.125 1.00 1.66 H new ATOM 0 HG3 ARG A 83 1.063 24.290 -4.774 1.00 1.66 H new ATOM 0 HD2 ARG A 83 0.538 26.087 -3.140 1.00 2.10 H new ATOM 0 HD3 ARG A 83 -0.868 25.593 -4.061 1.00 2.10 H new ATOM 0 HE ARG A 83 -1.642 24.309 -2.092 1.00 2.64 H new ATOM 0 HH11 ARG A 83 1.023 26.577 -1.602 1.00 3.68 H new ATOM 0 HH12 ARG A 83 0.675 26.794 0.116 1.00 3.68 H new ATOM 0 HH21 ARG A 83 -2.089 24.605 0.109 1.00 4.17 H new ATOM 0 HH22 ARG A 83 -1.080 25.681 1.081 1.00 4.17 H new ATOM 1363 N ALA A 84 -1.575 20.199 -4.415 1.00 0.43 N ATOM 1364 CA ALA A 84 -2.457 19.154 -3.961 1.00 0.38 C ATOM 1365 C ALA A 84 -1.818 17.799 -4.139 1.00 0.29 C ATOM 1366 O ALA A 84 -1.457 17.152 -3.154 1.00 0.35 O ATOM 1367 CB ALA A 84 -3.790 19.214 -4.692 1.00 0.49 C ATOM 0 H ALA A 84 -1.945 20.761 -5.182 1.00 0.43 H new ATOM 0 HA ALA A 84 -2.643 19.309 -2.898 1.00 0.38 H new ATOM 0 HB1 ALA A 84 -4.439 18.415 -4.332 1.00 0.49 H new ATOM 0 HB2 ALA A 84 -4.264 20.178 -4.506 1.00 0.49 H new ATOM 0 HB3 ALA A 84 -3.624 19.092 -5.762 1.00 0.49 H new ATOM 1373 N GLU A 85 -1.603 17.406 -5.391 1.00 0.25 N ATOM 1374 CA GLU A 85 -1.149 16.055 -5.689 1.00 0.26 C ATOM 1375 C GLU A 85 0.174 15.751 -4.991 1.00 0.28 C ATOM 1376 O GLU A 85 0.410 14.622 -4.571 1.00 0.34 O ATOM 1377 CB GLU A 85 -1.032 15.834 -7.198 1.00 0.34 C ATOM 1378 CG GLU A 85 -0.043 16.763 -7.881 1.00 0.49 C ATOM 1379 CD GLU A 85 0.136 16.462 -9.354 1.00 0.79 C ATOM 1380 OE1 GLU A 85 -0.755 16.828 -10.150 1.00 1.24 O ATOM 1381 OE2 GLU A 85 1.160 15.852 -9.729 1.00 1.31 O ATOM 0 H GLU A 85 -1.735 18.000 -6.209 1.00 0.25 H new ATOM 0 HA GLU A 85 -1.898 15.362 -5.304 1.00 0.26 H new ATOM 0 HB2 GLU A 85 -0.733 14.802 -7.382 1.00 0.34 H new ATOM 0 HB3 GLU A 85 -2.014 15.967 -7.652 1.00 0.34 H new ATOM 0 HG2 GLU A 85 -0.382 17.793 -7.765 1.00 0.49 H new ATOM 0 HG3 GLU A 85 0.923 16.687 -7.381 1.00 0.49 H new ATOM 1388 N LEU A 86 1.009 16.774 -4.833 1.00 0.30 N ATOM 1389 CA LEU A 86 2.293 16.635 -4.155 1.00 0.36 C ATOM 1390 C LEU A 86 2.101 16.193 -2.709 1.00 0.28 C ATOM 1391 O LEU A 86 2.871 15.388 -2.179 1.00 0.28 O ATOM 1392 CB LEU A 86 3.035 17.968 -4.168 1.00 0.47 C ATOM 1393 CG LEU A 86 4.497 17.909 -3.726 1.00 0.73 C ATOM 1394 CD1 LEU A 86 5.315 17.059 -4.684 1.00 1.45 C ATOM 1395 CD2 LEU A 86 5.076 19.311 -3.632 1.00 1.47 C ATOM 0 H LEU A 86 0.816 17.717 -5.169 1.00 0.30 H new ATOM 0 HA LEU A 86 2.872 15.879 -4.685 1.00 0.36 H new ATOM 0 HB2 LEU A 86 2.995 18.377 -5.177 1.00 0.47 H new ATOM 0 HB3 LEU A 86 2.505 18.666 -3.520 1.00 0.47 H new ATOM 0 HG LEU A 86 4.540 17.447 -2.740 1.00 0.73 H new ATOM 0 HD11 LEU A 86 6.352 17.031 -4.350 1.00 1.45 H new ATOM 0 HD12 LEU A 86 4.913 16.046 -4.706 1.00 1.45 H new ATOM 0 HD13 LEU A 86 5.267 17.490 -5.684 1.00 1.45 H new ATOM 0 HD21 LEU A 86 6.118 19.254 -3.316 1.00 1.47 H new ATOM 0 HD22 LEU A 86 5.018 19.795 -4.607 1.00 1.47 H new ATOM 0 HD23 LEU A 86 4.508 19.891 -2.905 1.00 1.47 H new ATOM 1407 N LYS A 87 1.064 16.720 -2.085 1.00 0.24 N ATOM 1408 CA LYS A 87 0.809 16.479 -0.676 1.00 0.22 C ATOM 1409 C LYS A 87 0.374 15.029 -0.458 1.00 0.18 C ATOM 1410 O LYS A 87 0.864 14.347 0.446 1.00 0.20 O ATOM 1411 CB LYS A 87 -0.255 17.470 -0.192 1.00 0.27 C ATOM 1412 CG LYS A 87 -0.200 17.791 1.292 1.00 0.29 C ATOM 1413 CD LYS A 87 -0.947 19.086 1.578 1.00 0.75 C ATOM 1414 CE LYS A 87 -0.832 19.518 3.032 1.00 1.40 C ATOM 1415 NZ LYS A 87 -1.620 18.651 3.942 1.00 1.74 N ATOM 0 H LYS A 87 0.378 17.324 -2.537 1.00 0.24 H new ATOM 0 HA LYS A 87 1.719 16.632 -0.096 1.00 0.22 H new ATOM 0 HB2 LYS A 87 -0.149 18.398 -0.754 1.00 0.27 H new ATOM 0 HB3 LYS A 87 -1.240 17.066 -0.426 1.00 0.27 H new ATOM 0 HG2 LYS A 87 -0.640 16.975 1.865 1.00 0.29 H new ATOM 0 HG3 LYS A 87 0.837 17.883 1.613 1.00 0.29 H new ATOM 0 HD2 LYS A 87 -0.557 19.876 0.936 1.00 0.75 H new ATOM 0 HD3 LYS A 87 -1.999 18.958 1.323 1.00 0.75 H new ATOM 0 HE2 LYS A 87 0.216 19.499 3.332 1.00 1.40 H new ATOM 0 HE3 LYS A 87 -1.173 20.549 3.130 1.00 1.40 H new ATOM 0 HZ1 LYS A 87 -1.405 18.898 4.929 1.00 1.74 H new ATOM 0 HZ2 LYS A 87 -2.635 18.792 3.763 1.00 1.74 H new ATOM 0 HZ3 LYS A 87 -1.373 17.655 3.773 1.00 1.74 H new ATOM 1429 N LEU A 88 -0.527 14.551 -1.306 1.00 0.19 N ATOM 1430 CA LEU A 88 -0.979 13.161 -1.234 1.00 0.21 C ATOM 1431 C LEU A 88 0.100 12.185 -1.683 1.00 0.21 C ATOM 1432 O LEU A 88 0.250 11.127 -1.087 1.00 0.22 O ATOM 1433 CB LEU A 88 -2.250 12.949 -2.050 1.00 0.30 C ATOM 1434 CG LEU A 88 -2.338 13.749 -3.339 1.00 0.54 C ATOM 1435 CD1 LEU A 88 -2.936 12.916 -4.445 1.00 1.09 C ATOM 1436 CD2 LEU A 88 -3.185 14.978 -3.114 1.00 1.33 C ATOM 0 H LEU A 88 -0.960 15.099 -2.049 1.00 0.19 H new ATOM 0 HA LEU A 88 -1.199 12.958 -0.186 1.00 0.21 H new ATOM 0 HB2 LEU A 88 -2.333 11.890 -2.293 1.00 0.30 H new ATOM 0 HB3 LEU A 88 -3.108 13.201 -1.427 1.00 0.30 H new ATOM 0 HG LEU A 88 -1.331 14.045 -3.634 1.00 0.54 H new ATOM 0 HD11 LEU A 88 -2.990 13.508 -5.358 1.00 1.09 H new ATOM 0 HD12 LEU A 88 -2.313 12.039 -4.618 1.00 1.09 H new ATOM 0 HD13 LEU A 88 -3.939 12.598 -4.159 1.00 1.09 H new ATOM 0 HD21 LEU A 88 -3.248 15.551 -4.039 1.00 1.33 H new ATOM 0 HD22 LEU A 88 -4.186 14.678 -2.805 1.00 1.33 H new ATOM 0 HD23 LEU A 88 -2.734 15.593 -2.336 1.00 1.33 H new ATOM 1448 N LYS A 89 0.857 12.533 -2.720 1.00 0.26 N ATOM 1449 CA LYS A 89 1.866 11.618 -3.251 1.00 0.31 C ATOM 1450 C LYS A 89 3.006 11.399 -2.259 1.00 0.29 C ATOM 1451 O LYS A 89 3.573 10.313 -2.199 1.00 0.30 O ATOM 1452 CB LYS A 89 2.389 12.068 -4.626 1.00 0.41 C ATOM 1453 CG LYS A 89 3.101 13.413 -4.654 1.00 0.47 C ATOM 1454 CD LYS A 89 4.592 13.289 -4.386 1.00 0.90 C ATOM 1455 CE LYS A 89 5.282 12.438 -5.445 1.00 1.05 C ATOM 1456 NZ LYS A 89 6.757 12.420 -5.267 1.00 2.07 N ATOM 0 H LYS A 89 0.794 13.428 -3.204 1.00 0.26 H new ATOM 0 HA LYS A 89 1.374 10.657 -3.399 1.00 0.31 H new ATOM 0 HB2 LYS A 89 3.074 11.307 -5.000 1.00 0.41 H new ATOM 0 HB3 LYS A 89 1.548 12.108 -5.319 1.00 0.41 H new ATOM 0 HG2 LYS A 89 2.948 13.881 -5.626 1.00 0.47 H new ATOM 0 HG3 LYS A 89 2.655 14.072 -3.909 1.00 0.47 H new ATOM 0 HD2 LYS A 89 5.043 14.281 -4.365 1.00 0.90 H new ATOM 0 HD3 LYS A 89 4.750 12.846 -3.403 1.00 0.90 H new ATOM 0 HE2 LYS A 89 4.898 11.419 -5.398 1.00 1.05 H new ATOM 0 HE3 LYS A 89 5.041 12.824 -6.435 1.00 1.05 H new ATOM 0 HZ1 LYS A 89 7.189 11.830 -6.007 1.00 2.07 H new ATOM 0 HZ2 LYS A 89 7.127 13.389 -5.337 1.00 2.07 H new ATOM 0 HZ3 LYS A 89 6.989 12.027 -4.332 1.00 2.07 H new ATOM 1470 N ARG A 90 3.355 12.421 -1.488 1.00 0.27 N ATOM 1471 CA ARG A 90 4.379 12.250 -0.462 1.00 0.30 C ATOM 1472 C ARG A 90 3.849 11.345 0.653 1.00 0.25 C ATOM 1473 O ARG A 90 4.534 10.425 1.109 1.00 0.28 O ATOM 1474 CB ARG A 90 4.854 13.598 0.105 1.00 0.36 C ATOM 1475 CG ARG A 90 3.812 14.347 0.920 1.00 0.35 C ATOM 1476 CD ARG A 90 4.399 15.571 1.602 1.00 0.75 C ATOM 1477 NE ARG A 90 4.792 16.608 0.648 1.00 1.44 N ATOM 1478 CZ ARG A 90 6.052 16.971 0.414 1.00 1.98 C ATOM 1479 NH1 ARG A 90 7.057 16.334 1.008 1.00 2.10 N ATOM 1480 NH2 ARG A 90 6.313 17.967 -0.425 1.00 2.93 N ATOM 0 H ARG A 90 2.956 13.358 -1.549 1.00 0.27 H new ATOM 0 HA ARG A 90 5.246 11.778 -0.924 1.00 0.30 H new ATOM 0 HB2 ARG A 90 5.730 13.425 0.731 1.00 0.36 H new ATOM 0 HB3 ARG A 90 5.173 14.232 -0.722 1.00 0.36 H new ATOM 0 HG2 ARG A 90 2.993 14.652 0.269 1.00 0.35 H new ATOM 0 HG3 ARG A 90 3.391 13.680 1.672 1.00 0.35 H new ATOM 0 HD2 ARG A 90 3.668 15.981 2.299 1.00 0.75 H new ATOM 0 HD3 ARG A 90 5.268 15.274 2.190 1.00 0.75 H new ATOM 0 HE ARG A 90 4.054 17.083 0.129 1.00 1.44 H new ATOM 0 HH11 ARG A 90 6.865 15.563 1.647 1.00 2.10 H new ATOM 0 HH12 ARG A 90 8.020 16.617 0.824 1.00 2.10 H new ATOM 0 HH21 ARG A 90 5.548 18.455 -0.891 1.00 2.93 H new ATOM 0 HH22 ARG A 90 7.278 18.244 -0.603 1.00 2.93 H new ATOM 1494 N ALA A 91 2.606 11.587 1.053 1.00 0.22 N ATOM 1495 CA ALA A 91 1.965 10.790 2.088 1.00 0.23 C ATOM 1496 C ALA A 91 1.763 9.353 1.622 1.00 0.21 C ATOM 1497 O ALA A 91 2.042 8.397 2.348 1.00 0.24 O ATOM 1498 CB ALA A 91 0.637 11.414 2.458 1.00 0.26 C ATOM 0 H ALA A 91 2.022 12.332 0.674 1.00 0.22 H new ATOM 0 HA ALA A 91 2.612 10.770 2.965 1.00 0.23 H new ATOM 0 HB1 ALA A 91 0.158 10.816 3.233 1.00 0.26 H new ATOM 0 HB2 ALA A 91 0.801 12.426 2.829 1.00 0.26 H new ATOM 0 HB3 ALA A 91 -0.006 11.450 1.578 1.00 0.26 H new ATOM 1504 N VAL A 92 1.279 9.211 0.401 1.00 0.18 N ATOM 1505 CA VAL A 92 1.058 7.908 -0.189 1.00 0.19 C ATOM 1506 C VAL A 92 2.387 7.175 -0.382 1.00 0.22 C ATOM 1507 O VAL A 92 2.434 5.956 -0.397 1.00 0.24 O ATOM 1508 CB VAL A 92 0.289 8.016 -1.525 1.00 0.22 C ATOM 1509 CG1 VAL A 92 1.224 8.297 -2.688 1.00 0.25 C ATOM 1510 CG2 VAL A 92 -0.525 6.760 -1.771 1.00 0.26 C ATOM 0 H VAL A 92 1.030 9.993 -0.205 1.00 0.18 H new ATOM 0 HA VAL A 92 0.441 7.329 0.498 1.00 0.19 H new ATOM 0 HB VAL A 92 -0.395 8.861 -1.450 1.00 0.22 H new ATOM 0 HG11 VAL A 92 0.647 8.366 -3.610 1.00 0.25 H new ATOM 0 HG12 VAL A 92 1.747 9.238 -2.516 1.00 0.25 H new ATOM 0 HG13 VAL A 92 1.950 7.489 -2.774 1.00 0.25 H new ATOM 0 HG21 VAL A 92 -1.060 6.853 -2.716 1.00 0.26 H new ATOM 0 HG22 VAL A 92 0.140 5.898 -1.814 1.00 0.26 H new ATOM 0 HG23 VAL A 92 -1.241 6.626 -0.960 1.00 0.26 H new ATOM 1520 N GLU A 93 3.468 7.918 -0.550 1.00 0.25 N ATOM 1521 CA GLU A 93 4.789 7.309 -0.603 1.00 0.31 C ATOM 1522 C GLU A 93 5.157 6.679 0.741 1.00 0.31 C ATOM 1523 O GLU A 93 5.894 5.692 0.807 1.00 0.33 O ATOM 1524 CB GLU A 93 5.830 8.328 -1.040 1.00 0.39 C ATOM 1525 CG GLU A 93 6.117 8.280 -2.530 1.00 0.71 C ATOM 1526 CD GLU A 93 6.907 7.056 -2.936 1.00 1.14 C ATOM 1527 OE1 GLU A 93 7.912 6.739 -2.266 1.00 1.63 O ATOM 1528 OE2 GLU A 93 6.525 6.403 -3.933 1.00 1.61 O ATOM 0 H GLU A 93 3.460 8.933 -0.651 1.00 0.25 H new ATOM 0 HA GLU A 93 4.768 6.510 -1.344 1.00 0.31 H new ATOM 0 HB2 GLU A 93 5.486 9.328 -0.774 1.00 0.39 H new ATOM 0 HB3 GLU A 93 6.755 8.152 -0.491 1.00 0.39 H new ATOM 0 HG2 GLU A 93 5.175 8.297 -3.077 1.00 0.71 H new ATOM 0 HG3 GLU A 93 6.669 9.175 -2.818 1.00 0.71 H new ATOM 1535 N GLU A 94 4.639 7.234 1.818 1.00 0.31 N ATOM 1536 CA GLU A 94 4.803 6.595 3.112 1.00 0.34 C ATOM 1537 C GLU A 94 3.975 5.307 3.174 1.00 0.29 C ATOM 1538 O GLU A 94 4.348 4.353 3.860 1.00 0.29 O ATOM 1539 CB GLU A 94 4.448 7.557 4.246 1.00 0.42 C ATOM 1540 CG GLU A 94 5.203 8.875 4.147 1.00 0.90 C ATOM 1541 CD GLU A 94 5.245 9.645 5.445 1.00 1.40 C ATOM 1542 OE1 GLU A 94 4.192 10.159 5.879 1.00 2.09 O ATOM 1543 OE2 GLU A 94 6.343 9.767 6.026 1.00 1.62 O ATOM 0 H GLU A 94 4.112 8.107 1.828 1.00 0.31 H new ATOM 0 HA GLU A 94 5.851 6.324 3.241 1.00 0.34 H new ATOM 0 HB2 GLU A 94 3.376 7.753 4.230 1.00 0.42 H new ATOM 0 HB3 GLU A 94 4.671 7.085 5.203 1.00 0.42 H new ATOM 0 HG2 GLU A 94 6.223 8.676 3.819 1.00 0.90 H new ATOM 0 HG3 GLU A 94 4.737 9.495 3.381 1.00 0.90 H new ATOM 1550 N VAL A 95 2.866 5.257 2.433 1.00 0.28 N ATOM 1551 CA VAL A 95 2.146 3.995 2.267 1.00 0.26 C ATOM 1552 C VAL A 95 2.936 3.067 1.364 1.00 0.25 C ATOM 1553 O VAL A 95 2.818 1.859 1.467 1.00 0.26 O ATOM 1554 CB VAL A 95 0.691 4.125 1.751 1.00 0.25 C ATOM 1555 CG1 VAL A 95 0.574 3.918 0.250 1.00 0.48 C ATOM 1556 CG2 VAL A 95 -0.184 3.111 2.455 1.00 0.62 C ATOM 0 H VAL A 95 2.455 6.056 1.949 1.00 0.28 H new ATOM 0 HA VAL A 95 2.055 3.582 3.272 1.00 0.26 H new ATOM 0 HB VAL A 95 0.366 5.143 1.967 1.00 0.25 H new ATOM 0 HG11 VAL A 95 -0.468 4.021 -0.051 1.00 0.48 H new ATOM 0 HG12 VAL A 95 1.177 4.664 -0.268 1.00 0.48 H new ATOM 0 HG13 VAL A 95 0.929 2.920 -0.009 1.00 0.48 H new ATOM 0 HG21 VAL A 95 -1.208 3.201 2.093 1.00 0.62 H new ATOM 0 HG22 VAL A 95 0.186 2.106 2.250 1.00 0.62 H new ATOM 0 HG23 VAL A 95 -0.161 3.294 3.529 1.00 0.62 H new ATOM 1566 N LYS A 96 3.714 3.638 0.451 1.00 0.26 N ATOM 1567 CA LYS A 96 4.646 2.843 -0.352 1.00 0.30 C ATOM 1568 C LYS A 96 5.543 2.002 0.552 1.00 0.33 C ATOM 1569 O LYS A 96 5.928 0.889 0.203 1.00 0.39 O ATOM 1570 CB LYS A 96 5.521 3.727 -1.230 1.00 0.36 C ATOM 1571 CG LYS A 96 4.780 4.391 -2.363 1.00 0.88 C ATOM 1572 CD LYS A 96 4.226 3.366 -3.323 1.00 1.20 C ATOM 1573 CE LYS A 96 3.799 4.020 -4.617 1.00 1.69 C ATOM 1574 NZ LYS A 96 4.951 4.648 -5.325 1.00 2.00 N ATOM 0 H LYS A 96 3.721 4.637 0.247 1.00 0.26 H new ATOM 0 HA LYS A 96 4.049 2.193 -0.992 1.00 0.30 H new ATOM 0 HB2 LYS A 96 5.981 4.496 -0.610 1.00 0.36 H new ATOM 0 HB3 LYS A 96 6.330 3.125 -1.642 1.00 0.36 H new ATOM 0 HG2 LYS A 96 3.967 4.997 -1.964 1.00 0.88 H new ATOM 0 HG3 LYS A 96 5.451 5.067 -2.894 1.00 0.88 H new ATOM 0 HD2 LYS A 96 4.980 2.606 -3.526 1.00 1.20 H new ATOM 0 HD3 LYS A 96 3.375 2.858 -2.869 1.00 1.20 H new ATOM 0 HE2 LYS A 96 3.336 3.276 -5.265 1.00 1.69 H new ATOM 0 HE3 LYS A 96 3.043 4.777 -4.410 1.00 1.69 H new ATOM 0 HZ1 LYS A 96 4.671 4.890 -6.297 1.00 2.00 H new ATOM 0 HZ2 LYS A 96 5.238 5.512 -4.822 1.00 2.00 H new ATOM 0 HZ3 LYS A 96 5.748 3.981 -5.350 1.00 2.00 H new ATOM 1588 N LYS A 97 5.870 2.545 1.717 1.00 0.33 N ATOM 1589 CA LYS A 97 6.607 1.797 2.725 1.00 0.39 C ATOM 1590 C LYS A 97 5.686 0.788 3.415 1.00 0.35 C ATOM 1591 O LYS A 97 6.097 -0.323 3.748 1.00 0.45 O ATOM 1592 CB LYS A 97 7.216 2.758 3.755 1.00 0.49 C ATOM 1593 CG LYS A 97 7.836 2.062 4.958 1.00 1.09 C ATOM 1594 CD LYS A 97 8.942 1.102 4.551 1.00 1.89 C ATOM 1595 CE LYS A 97 9.481 0.338 5.751 1.00 2.76 C ATOM 1596 NZ LYS A 97 10.103 1.239 6.758 1.00 3.43 N ATOM 0 H LYS A 97 5.636 3.501 1.987 1.00 0.33 H new ATOM 0 HA LYS A 97 7.415 1.251 2.237 1.00 0.39 H new ATOM 0 HB2 LYS A 97 7.979 3.364 3.265 1.00 0.49 H new ATOM 0 HB3 LYS A 97 6.441 3.441 4.103 1.00 0.49 H new ATOM 0 HG2 LYS A 97 8.238 2.809 5.642 1.00 1.09 H new ATOM 0 HG3 LYS A 97 7.063 1.517 5.500 1.00 1.09 H new ATOM 0 HD2 LYS A 97 8.561 0.398 3.811 1.00 1.89 H new ATOM 0 HD3 LYS A 97 9.752 1.657 4.077 1.00 1.89 H new ATOM 0 HE2 LYS A 97 8.670 -0.221 6.218 1.00 2.76 H new ATOM 0 HE3 LYS A 97 10.218 -0.391 5.414 1.00 2.76 H new ATOM 0 HZ1 LYS A 97 10.589 0.670 7.480 1.00 3.43 H new ATOM 0 HZ2 LYS A 97 10.790 1.863 6.288 1.00 3.43 H new ATOM 0 HZ3 LYS A 97 9.365 1.816 7.211 1.00 3.43 H new ATOM 1610 N LEU A 98 4.434 1.181 3.604 1.00 0.30 N ATOM 1611 CA LEU A 98 3.462 0.359 4.319 1.00 0.33 C ATOM 1612 C LEU A 98 2.973 -0.819 3.475 1.00 0.27 C ATOM 1613 O LEU A 98 2.841 -1.923 3.981 1.00 0.35 O ATOM 1614 CB LEU A 98 2.268 1.221 4.738 1.00 0.45 C ATOM 1615 CG LEU A 98 1.470 0.706 5.933 1.00 0.83 C ATOM 1616 CD1 LEU A 98 2.341 0.685 7.179 1.00 1.70 C ATOM 1617 CD2 LEU A 98 0.237 1.572 6.152 1.00 1.29 C ATOM 0 H LEU A 98 4.064 2.071 3.270 1.00 0.30 H new ATOM 0 HA LEU A 98 3.959 -0.049 5.199 1.00 0.33 H new ATOM 0 HB2 LEU A 98 2.630 2.223 4.970 1.00 0.45 H new ATOM 0 HB3 LEU A 98 1.594 1.315 3.887 1.00 0.45 H new ATOM 0 HG LEU A 98 1.143 -0.313 5.727 1.00 0.83 H new ATOM 0 HD11 LEU A 98 1.759 0.316 8.023 1.00 1.70 H new ATOM 0 HD12 LEU A 98 3.197 0.030 7.014 1.00 1.70 H new ATOM 0 HD13 LEU A 98 2.693 1.694 7.394 1.00 1.70 H new ATOM 0 HD21 LEU A 98 -0.325 1.196 7.007 1.00 1.29 H new ATOM 0 HD22 LEU A 98 0.544 2.600 6.344 1.00 1.29 H new ATOM 0 HD23 LEU A 98 -0.392 1.541 5.262 1.00 1.29 H new ATOM 1629 N LEU A 99 2.740 -0.606 2.185 1.00 0.21 N ATOM 1630 CA LEU A 99 2.157 -1.650 1.348 1.00 0.22 C ATOM 1631 C LEU A 99 3.184 -2.729 0.990 1.00 0.25 C ATOM 1632 O LEU A 99 2.950 -3.561 0.117 1.00 0.43 O ATOM 1633 CB LEU A 99 1.500 -1.072 0.082 1.00 0.36 C ATOM 1634 CG LEU A 99 2.328 -0.093 -0.758 1.00 0.38 C ATOM 1635 CD1 LEU A 99 3.522 -0.773 -1.411 1.00 1.29 C ATOM 1636 CD2 LEU A 99 1.445 0.553 -1.813 1.00 1.30 C ATOM 0 H LEU A 99 2.942 0.268 1.700 1.00 0.21 H new ATOM 0 HA LEU A 99 1.372 -2.122 1.938 1.00 0.22 H new ATOM 0 HB2 LEU A 99 1.212 -1.906 -0.559 1.00 0.36 H new ATOM 0 HB3 LEU A 99 0.581 -0.567 0.380 1.00 0.36 H new ATOM 0 HG LEU A 99 2.719 0.674 -0.090 1.00 0.38 H new ATOM 0 HD11 LEU A 99 4.081 -0.043 -1.997 1.00 1.29 H new ATOM 0 HD12 LEU A 99 4.169 -1.192 -0.640 1.00 1.29 H new ATOM 0 HD13 LEU A 99 3.173 -1.572 -2.065 1.00 1.29 H new ATOM 0 HD21 LEU A 99 2.038 1.248 -2.408 1.00 1.30 H new ATOM 0 HD22 LEU A 99 1.030 -0.218 -2.462 1.00 1.30 H new ATOM 0 HD23 LEU A 99 0.633 1.093 -1.327 1.00 1.30 H new ATOM 1648 N VAL A 100 4.324 -2.697 1.658 1.00 0.32 N ATOM 1649 CA VAL A 100 5.344 -3.712 1.483 1.00 0.36 C ATOM 1650 C VAL A 100 5.004 -4.928 2.342 1.00 0.37 C ATOM 1651 O VAL A 100 4.586 -4.776 3.487 1.00 0.45 O ATOM 1652 CB VAL A 100 6.745 -3.167 1.862 1.00 0.48 C ATOM 1653 CG1 VAL A 100 7.820 -4.235 1.726 1.00 1.35 C ATOM 1654 CG2 VAL A 100 7.090 -1.959 1.007 1.00 1.29 C ATOM 0 H VAL A 100 4.566 -1.971 2.332 1.00 0.32 H new ATOM 0 HA VAL A 100 5.370 -4.001 0.432 1.00 0.36 H new ATOM 0 HB VAL A 100 6.710 -2.865 2.909 1.00 0.48 H new ATOM 0 HG11 VAL A 100 8.787 -3.814 2.000 1.00 1.35 H new ATOM 0 HG12 VAL A 100 7.588 -5.071 2.385 1.00 1.35 H new ATOM 0 HG13 VAL A 100 7.856 -4.586 0.695 1.00 1.35 H new ATOM 0 HG21 VAL A 100 8.076 -1.587 1.284 1.00 1.29 H new ATOM 0 HG22 VAL A 100 7.093 -2.246 -0.044 1.00 1.29 H new ATOM 0 HG23 VAL A 100 6.349 -1.176 1.167 1.00 1.29 H new ATOM 1664 N PRO A 101 5.167 -6.150 1.792 1.00 0.39 N ATOM 1665 CA PRO A 101 4.885 -7.419 2.505 1.00 0.49 C ATOM 1666 C PRO A 101 5.742 -7.625 3.758 1.00 0.65 C ATOM 1667 O PRO A 101 5.683 -8.673 4.403 1.00 0.88 O ATOM 1668 CB PRO A 101 5.232 -8.489 1.469 1.00 0.64 C ATOM 1669 CG PRO A 101 6.134 -7.800 0.504 1.00 0.60 C ATOM 1670 CD PRO A 101 5.617 -6.400 0.416 1.00 0.45 C ATOM 0 HA PRO A 101 3.856 -7.442 2.864 1.00 0.49 H new ATOM 0 HB2 PRO A 101 5.725 -9.344 1.932 1.00 0.64 H new ATOM 0 HB3 PRO A 101 4.337 -8.867 0.975 1.00 0.64 H new ATOM 0 HG2 PRO A 101 7.168 -7.817 0.850 1.00 0.60 H new ATOM 0 HG3 PRO A 101 6.116 -8.289 -0.470 1.00 0.60 H new ATOM 0 HD2 PRO A 101 6.392 -5.698 0.107 1.00 0.45 H new ATOM 0 HD3 PRO A 101 4.802 -6.311 -0.302 1.00 0.45 H new ATOM 1735 N ASP A 107 8.594 -0.411 17.162 1.00 9.76 N ATOM 1736 CA ASP A 107 8.110 -0.951 18.436 1.00 10.43 C ATOM 1737 C ASP A 107 8.959 -2.116 18.945 1.00 10.48 C ATOM 1738 O ASP A 107 9.985 -1.904 19.594 1.00 11.15 O ATOM 1739 CB ASP A 107 6.626 -1.351 18.328 1.00 10.67 C ATOM 1740 CG ASP A 107 6.025 -1.765 19.660 1.00 11.41 C ATOM 1741 OD1 ASP A 107 5.669 -0.877 20.465 1.00 11.98 O ATOM 1742 OD2 ASP A 107 5.915 -2.983 19.912 1.00 11.57 O ATOM 0 HA ASP A 107 8.205 -0.155 19.175 1.00 10.43 H new ATOM 0 HB2 ASP A 107 6.058 -0.513 17.924 1.00 10.67 H new ATOM 0 HB3 ASP A 107 6.528 -2.174 17.620 1.00 10.67 H new ATOM 1747 N SER A 108 8.553 -3.331 18.612 1.00 9.96 N ATOM 1748 CA SER A 108 9.123 -4.540 19.193 1.00 10.24 C ATOM 1749 C SER A 108 10.620 -4.645 18.935 1.00 10.41 C ATOM 1750 O SER A 108 11.394 -5.000 19.827 1.00 11.07 O ATOM 1751 CB SER A 108 8.392 -5.753 18.618 1.00 9.88 C ATOM 1752 OG SER A 108 8.765 -6.953 19.274 1.00 10.00 O ATOM 0 H SER A 108 7.817 -3.509 17.929 1.00 9.96 H new ATOM 0 HA SER A 108 8.993 -4.502 20.275 1.00 10.24 H new ATOM 0 HB2 SER A 108 7.316 -5.607 18.712 1.00 9.88 H new ATOM 0 HB3 SER A 108 8.610 -5.838 17.553 1.00 9.88 H new ATOM 0 HG SER A 108 9.335 -6.742 20.043 1.00 10.00 H new ATOM 1758 N LEU A 109 11.016 -4.302 17.723 1.00 10.02 N ATOM 1759 CA LEU A 109 12.403 -4.441 17.289 1.00 10.41 C ATOM 1760 C LEU A 109 13.354 -3.652 18.184 1.00 11.26 C ATOM 1761 O LEU A 109 14.381 -4.165 18.625 1.00 11.94 O ATOM 1762 CB LEU A 109 12.544 -3.958 15.848 1.00 10.12 C ATOM 1763 CG LEU A 109 11.598 -4.615 14.845 1.00 9.48 C ATOM 1764 CD1 LEU A 109 11.773 -3.991 13.473 1.00 9.47 C ATOM 1765 CD2 LEU A 109 11.834 -6.116 14.784 1.00 9.65 C ATOM 0 H LEU A 109 10.393 -3.921 17.011 1.00 10.02 H new ATOM 0 HA LEU A 109 12.669 -5.496 17.357 1.00 10.41 H new ATOM 0 HB2 LEU A 109 12.380 -2.881 15.825 1.00 10.12 H new ATOM 0 HB3 LEU A 109 13.570 -4.131 15.523 1.00 10.12 H new ATOM 0 HG LEU A 109 10.573 -4.447 15.176 1.00 9.48 H new ATOM 0 HD11 LEU A 109 11.093 -4.468 12.767 1.00 9.47 H new ATOM 0 HD12 LEU A 109 11.551 -2.925 13.527 1.00 9.47 H new ATOM 0 HD13 LEU A 109 12.801 -4.131 13.138 1.00 9.47 H new ATOM 0 HD21 LEU A 109 11.149 -6.563 14.063 1.00 9.65 H new ATOM 0 HD22 LEU A 109 12.862 -6.311 14.477 1.00 9.65 H new ATOM 0 HD23 LEU A 109 11.661 -6.552 15.768 1.00 9.65 H new ATOM 1777 N LYS A 110 13.003 -2.403 18.449 1.00 11.40 N ATOM 1778 CA LYS A 110 13.876 -1.508 19.192 1.00 12.34 C ATOM 1779 C LYS A 110 13.681 -1.667 20.698 1.00 12.93 C ATOM 1780 O LYS A 110 14.650 -1.640 21.461 1.00 13.70 O ATOM 1781 CB LYS A 110 13.626 -0.062 18.757 1.00 12.53 C ATOM 1782 CG LYS A 110 13.873 0.166 17.270 1.00 12.99 C ATOM 1783 CD LYS A 110 15.337 -0.037 16.906 1.00 13.18 C ATOM 1784 CE LYS A 110 15.517 -0.308 15.419 1.00 13.26 C ATOM 1785 NZ LYS A 110 14.998 0.790 14.563 1.00 13.83 N ATOM 0 H LYS A 110 12.118 -1.986 18.160 1.00 11.40 H new ATOM 0 HA LYS A 110 14.911 -1.769 18.970 1.00 12.34 H new ATOM 0 HB2 LYS A 110 12.597 0.210 18.994 1.00 12.53 H new ATOM 0 HB3 LYS A 110 14.272 0.601 19.332 1.00 12.53 H new ATOM 0 HG2 LYS A 110 13.255 -0.519 16.689 1.00 12.99 H new ATOM 0 HG3 LYS A 110 13.568 1.177 17.001 1.00 12.99 H new ATOM 0 HD2 LYS A 110 15.907 0.849 17.186 1.00 13.18 H new ATOM 0 HD3 LYS A 110 15.742 -0.871 17.479 1.00 13.18 H new ATOM 0 HE2 LYS A 110 16.576 -0.457 15.208 1.00 13.26 H new ATOM 0 HE3 LYS A 110 15.007 -1.236 15.160 1.00 13.26 H new ATOM 0 HZ1 LYS A 110 15.238 0.599 13.569 1.00 13.83 H new ATOM 0 HZ2 LYS A 110 13.965 0.850 14.664 1.00 13.83 H new ATOM 0 HZ3 LYS A 110 15.428 1.691 14.855 1.00 13.83 H new ATOM 1799 N LYS A 111 12.435 -1.856 21.123 1.00 12.70 N ATOM 1800 CA LYS A 111 12.131 -1.989 22.545 1.00 13.45 C ATOM 1801 C LYS A 111 12.786 -3.234 23.132 1.00 13.69 C ATOM 1802 O LYS A 111 13.391 -3.184 24.207 1.00 14.58 O ATOM 1803 CB LYS A 111 10.616 -2.044 22.789 1.00 13.35 C ATOM 1804 CG LYS A 111 9.883 -0.741 22.497 1.00 13.65 C ATOM 1805 CD LYS A 111 10.394 0.398 23.365 1.00 14.12 C ATOM 1806 CE LYS A 111 9.553 1.655 23.204 1.00 14.42 C ATOM 1807 NZ LYS A 111 9.473 2.105 21.788 1.00 14.52 N ATOM 0 H LYS A 111 11.624 -1.920 20.508 1.00 12.70 H new ATOM 0 HA LYS A 111 12.535 -1.107 23.043 1.00 13.45 H new ATOM 0 HB2 LYS A 111 10.189 -2.833 22.170 1.00 13.35 H new ATOM 0 HB3 LYS A 111 10.438 -2.322 23.828 1.00 13.35 H new ATOM 0 HG2 LYS A 111 10.007 -0.481 21.446 1.00 13.65 H new ATOM 0 HG3 LYS A 111 8.815 -0.878 22.668 1.00 13.65 H new ATOM 0 HD2 LYS A 111 10.388 0.089 24.410 1.00 14.12 H new ATOM 0 HD3 LYS A 111 11.429 0.618 23.103 1.00 14.12 H new ATOM 0 HE2 LYS A 111 8.547 1.467 23.580 1.00 14.42 H new ATOM 0 HE3 LYS A 111 9.977 2.453 23.813 1.00 14.42 H new ATOM 0 HZ1 LYS A 111 8.977 3.018 21.741 1.00 14.52 H new ATOM 0 HZ2 LYS A 111 10.433 2.213 21.403 1.00 14.52 H new ATOM 0 HZ3 LYS A 111 8.953 1.399 21.228 1.00 14.52 H new ATOM 1821 N MET A 112 12.679 -4.344 22.416 1.00 13.03 N ATOM 1822 CA MET A 112 13.198 -5.617 22.899 1.00 13.43 C ATOM 1823 C MET A 112 14.713 -5.696 22.792 1.00 13.93 C ATOM 1824 O MET A 112 15.360 -6.346 23.611 1.00 14.71 O ATOM 1825 CB MET A 112 12.555 -6.785 22.158 1.00 12.78 C ATOM 1826 CG MET A 112 11.129 -7.069 22.604 1.00 12.65 C ATOM 1827 SD MET A 112 10.365 -8.409 21.671 1.00 12.08 S ATOM 1828 CE MET A 112 11.418 -9.786 22.130 1.00 12.60 C ATOM 0 H MET A 112 12.237 -4.390 21.498 1.00 13.03 H new ATOM 0 HA MET A 112 12.938 -5.684 23.955 1.00 13.43 H new ATOM 0 HB2 MET A 112 12.559 -6.574 21.089 1.00 12.78 H new ATOM 0 HB3 MET A 112 13.160 -7.679 22.308 1.00 12.78 H new ATOM 0 HG2 MET A 112 11.127 -7.322 23.664 1.00 12.65 H new ATOM 0 HG3 MET A 112 10.530 -6.165 22.491 1.00 12.65 H new ATOM 0 HE1 MET A 112 10.909 -10.724 21.906 1.00 12.60 H new ATOM 0 HE2 MET A 112 12.350 -9.735 21.566 1.00 12.60 H new ATOM 0 HE3 MET A 112 11.636 -9.737 23.197 1.00 12.60 H new ATOM 1838 N LYS A 113 15.284 -5.038 21.795 1.00 13.65 N ATOM 1839 CA LYS A 113 16.729 -5.073 21.607 1.00 14.28 C ATOM 1840 C LYS A 113 17.420 -4.241 22.685 1.00 15.23 C ATOM 1841 O LYS A 113 18.476 -4.608 23.186 1.00 16.03 O ATOM 1842 CB LYS A 113 17.090 -4.534 20.216 1.00 13.94 C ATOM 1843 CG LYS A 113 18.276 -5.221 19.537 1.00 14.60 C ATOM 1844 CD LYS A 113 19.626 -4.800 20.108 1.00 15.23 C ATOM 1845 CE LYS A 113 20.114 -5.738 21.207 1.00 16.15 C ATOM 1846 NZ LYS A 113 20.221 -7.145 20.738 1.00 16.72 N ATOM 0 H LYS A 113 14.777 -4.478 21.109 1.00 13.65 H new ATOM 0 HA LYS A 113 17.070 -6.105 21.687 1.00 14.28 H new ATOM 0 HB2 LYS A 113 16.217 -4.629 19.570 1.00 13.94 H new ATOM 0 HB3 LYS A 113 17.308 -3.470 20.302 1.00 13.94 H new ATOM 0 HG2 LYS A 113 18.168 -6.301 19.638 1.00 14.60 H new ATOM 0 HG3 LYS A 113 18.255 -4.997 18.471 1.00 14.60 H new ATOM 0 HD2 LYS A 113 20.363 -4.771 19.306 1.00 15.23 H new ATOM 0 HD3 LYS A 113 19.549 -3.788 20.506 1.00 15.23 H new ATOM 0 HE2 LYS A 113 21.087 -5.401 21.564 1.00 16.15 H new ATOM 0 HE3 LYS A 113 19.429 -5.690 22.054 1.00 16.15 H new ATOM 0 HZ1 LYS A 113 20.967 -7.634 21.273 1.00 16.72 H new ATOM 0 HZ2 LYS A 113 19.313 -7.630 20.887 1.00 16.72 H new ATOM 0 HZ3 LYS A 113 20.458 -7.156 19.725 1.00 16.72 H new ATOM 1860 N LEU A 114 16.811 -3.139 23.076 1.00 15.27 N ATOM 1861 CA LEU A 114 17.455 -2.241 23.999 1.00 16.25 C ATOM 1862 C LEU A 114 17.055 -2.518 25.448 1.00 16.89 C ATOM 1863 O LEU A 114 17.888 -2.906 26.269 1.00 17.72 O ATOM 1864 CB LEU A 114 17.123 -0.799 23.627 1.00 16.24 C ATOM 1865 CG LEU A 114 17.922 0.258 24.374 1.00 16.63 C ATOM 1866 CD1 LEU A 114 19.401 0.107 24.059 1.00 17.08 C ATOM 1867 CD2 LEU A 114 17.423 1.646 24.004 1.00 16.95 C ATOM 0 H LEU A 114 15.882 -2.851 22.770 1.00 15.27 H new ATOM 0 HA LEU A 114 18.530 -2.404 23.926 1.00 16.25 H new ATOM 0 HB2 LEU A 114 17.287 -0.669 22.557 1.00 16.24 H new ATOM 0 HB3 LEU A 114 16.062 -0.628 23.810 1.00 16.24 H new ATOM 0 HG LEU A 114 17.786 0.123 25.447 1.00 16.63 H new ATOM 0 HD11 LEU A 114 19.967 0.867 24.597 1.00 17.08 H new ATOM 0 HD12 LEU A 114 19.739 -0.883 24.366 1.00 17.08 H new ATOM 0 HD13 LEU A 114 19.559 0.228 22.987 1.00 17.08 H new ATOM 0 HD21 LEU A 114 18.001 2.396 24.544 1.00 16.95 H new ATOM 0 HD22 LEU A 114 17.540 1.801 22.931 1.00 16.95 H new ATOM 0 HD23 LEU A 114 16.370 1.737 24.271 1.00 16.95 H new ATOM 1879 N MET A 115 15.775 -2.333 25.754 1.00 16.60 N ATOM 1880 CA MET A 115 15.316 -2.371 27.139 1.00 17.37 C ATOM 1881 C MET A 115 14.946 -3.789 27.569 1.00 17.30 C ATOM 1882 O MET A 115 15.338 -4.232 28.649 1.00 18.16 O ATOM 1883 CB MET A 115 14.135 -1.409 27.324 1.00 17.40 C ATOM 1884 CG MET A 115 13.735 -1.175 28.778 1.00 18.36 C ATOM 1885 SD MET A 115 12.575 -2.406 29.407 1.00 18.37 S ATOM 1886 CE MET A 115 11.168 -2.096 28.344 1.00 17.17 C ATOM 0 H MET A 115 15.041 -2.156 25.068 1.00 16.60 H new ATOM 0 HA MET A 115 16.135 -2.047 27.781 1.00 17.37 H new ATOM 0 HB2 MET A 115 14.388 -0.451 26.871 1.00 17.40 H new ATOM 0 HB3 MET A 115 13.275 -1.801 26.782 1.00 17.40 H new ATOM 0 HG2 MET A 115 14.631 -1.179 29.399 1.00 18.36 H new ATOM 0 HG3 MET A 115 13.288 -0.185 28.870 1.00 18.36 H new ATOM 0 HE1 MET A 115 10.251 -2.369 28.866 1.00 17.17 H new ATOM 0 HE2 MET A 115 11.135 -1.038 28.083 1.00 17.17 H new ATOM 0 HE3 MET A 115 11.260 -2.691 27.436 1.00 17.17 H new ATOM 1896 N GLU A 116 14.212 -4.508 26.719 1.00 16.38 N ATOM 1897 CA GLU A 116 13.809 -5.881 27.026 1.00 16.41 C ATOM 1898 C GLU A 116 15.012 -6.813 27.126 1.00 16.77 C ATOM 1899 O GLU A 116 14.948 -7.867 27.755 1.00 17.19 O ATOM 1900 CB GLU A 116 12.831 -6.399 25.980 1.00 15.41 C ATOM 1901 CG GLU A 116 11.477 -5.718 26.039 1.00 15.12 C ATOM 1902 CD GLU A 116 10.733 -6.028 27.323 1.00 15.91 C ATOM 1903 OE1 GLU A 116 10.204 -7.151 27.458 1.00 16.27 O ATOM 1904 OE2 GLU A 116 10.657 -5.142 28.198 1.00 16.29 O ATOM 0 H GLU A 116 13.885 -4.164 25.816 1.00 16.38 H new ATOM 0 HA GLU A 116 13.316 -5.866 27.998 1.00 16.41 H new ATOM 0 HB2 GLU A 116 13.260 -6.255 24.988 1.00 15.41 H new ATOM 0 HB3 GLU A 116 12.697 -7.472 26.117 1.00 15.41 H new ATOM 0 HG2 GLU A 116 11.611 -4.640 25.950 1.00 15.12 H new ATOM 0 HG3 GLU A 116 10.875 -6.036 25.187 1.00 15.12 H new ATOM 1911 N LEU A 117 16.105 -6.409 26.498 1.00 16.72 N ATOM 1912 CA LEU A 117 17.349 -7.172 26.532 1.00 17.21 C ATOM 1913 C LEU A 117 17.981 -7.094 27.922 1.00 18.39 C ATOM 1914 O LEU A 117 18.870 -7.882 28.256 1.00 18.98 O ATOM 1915 CB LEU A 117 18.318 -6.628 25.477 1.00 17.03 C ATOM 1916 CG LEU A 117 18.976 -7.670 24.559 1.00 17.18 C ATOM 1917 CD1 LEU A 117 19.872 -8.610 25.351 1.00 18.26 C ATOM 1918 CD2 LEU A 117 17.920 -8.462 23.806 1.00 16.60 C ATOM 0 H LEU A 117 16.158 -5.549 25.953 1.00 16.72 H new ATOM 0 HA LEU A 117 17.131 -8.217 26.310 1.00 17.21 H new ATOM 0 HB2 LEU A 117 17.780 -5.913 24.854 1.00 17.03 H new ATOM 0 HB3 LEU A 117 19.106 -6.075 25.988 1.00 17.03 H new ATOM 0 HG LEU A 117 19.595 -7.136 23.838 1.00 17.18 H new ATOM 0 HD11 LEU A 117 20.324 -9.337 24.676 1.00 18.26 H new ATOM 0 HD12 LEU A 117 20.656 -8.036 25.844 1.00 18.26 H new ATOM 0 HD13 LEU A 117 19.278 -9.132 26.101 1.00 18.26 H new ATOM 0 HD21 LEU A 117 18.406 -9.195 23.161 1.00 16.60 H new ATOM 0 HD22 LEU A 117 17.275 -8.976 24.518 1.00 16.60 H new ATOM 0 HD23 LEU A 117 17.321 -7.784 23.198 1.00 16.60 H new ATOM 1930 N ALA A 118 17.514 -6.122 28.712 1.00 18.81 N ATOM 1931 CA ALA A 118 18.070 -5.819 30.031 1.00 19.94 C ATOM 1932 C ALA A 118 19.453 -5.200 29.896 1.00 20.25 C ATOM 1933 O ALA A 118 20.230 -5.157 30.849 1.00 20.88 O ATOM 1934 CB ALA A 118 18.105 -7.050 30.931 1.00 20.42 C ATOM 0 H ALA A 118 16.733 -5.520 28.450 1.00 18.81 H new ATOM 0 HA ALA A 118 17.411 -5.094 30.509 1.00 19.94 H new ATOM 0 HB1 ALA A 118 18.525 -6.780 31.900 1.00 20.42 H new ATOM 0 HB2 ALA A 118 17.093 -7.430 31.067 1.00 20.42 H new ATOM 0 HB3 ALA A 118 18.723 -7.821 30.470 1.00 20.42 H new ATOM 1940 N ILE A 119 19.745 -4.710 28.701 1.00 19.90 N ATOM 1941 CA ILE A 119 20.984 -3.997 28.446 1.00 20.25 C ATOM 1942 C ILE A 119 20.865 -2.577 28.987 1.00 21.12 C ATOM 1943 O ILE A 119 21.548 -2.202 29.942 1.00 21.13 O ATOM 1944 CB ILE A 119 21.312 -3.969 26.934 1.00 20.40 C ATOM 1945 CG1 ILE A 119 21.501 -5.394 26.398 1.00 20.16 C ATOM 1946 CG2 ILE A 119 22.552 -3.133 26.661 1.00 20.03 C ATOM 1947 CD1 ILE A 119 22.615 -6.168 27.078 1.00 20.59 C ATOM 0 H ILE A 119 19.135 -4.795 27.888 1.00 19.90 H new ATOM 0 HA ILE A 119 21.798 -4.516 28.951 1.00 20.25 H new ATOM 0 HB ILE A 119 20.471 -3.509 26.415 1.00 20.40 H new ATOM 0 HG12 ILE A 119 20.567 -5.943 26.517 1.00 20.16 H new ATOM 0 HG13 ILE A 119 21.707 -5.344 25.329 1.00 20.16 H new ATOM 0 HG21 ILE A 119 22.760 -3.130 25.591 1.00 20.03 H new ATOM 0 HG22 ILE A 119 22.384 -2.111 27.001 1.00 20.03 H new ATOM 0 HG23 ILE A 119 23.402 -3.558 27.195 1.00 20.03 H new ATOM 0 HD11 ILE A 119 22.684 -7.165 26.642 1.00 20.59 H new ATOM 0 HD12 ILE A 119 23.560 -5.644 26.937 1.00 20.59 H new ATOM 0 HD13 ILE A 119 22.402 -6.252 28.144 1.00 20.59 H new ATOM 1959 N LEU A 120 19.982 -1.796 28.380 1.00 21.92 N ATOM 1960 CA LEU A 120 19.650 -0.475 28.883 1.00 22.85 C ATOM 1961 C LEU A 120 18.219 -0.444 29.383 1.00 23.12 C ATOM 1962 O LEU A 120 17.284 -0.159 28.638 1.00 23.32 O ATOM 1963 CB LEU A 120 19.877 0.598 27.817 1.00 23.66 C ATOM 1964 CG LEU A 120 21.226 1.312 27.907 1.00 23.95 C ATOM 1965 CD1 LEU A 120 21.299 2.134 29.184 1.00 23.98 C ATOM 1966 CD2 LEU A 120 22.363 0.306 27.868 1.00 23.52 C ATOM 0 H LEU A 120 19.480 -2.060 27.532 1.00 21.92 H new ATOM 0 HA LEU A 120 20.314 -0.255 29.719 1.00 22.85 H new ATOM 0 HB2 LEU A 120 19.790 0.137 26.833 1.00 23.66 H new ATOM 0 HB3 LEU A 120 19.082 1.340 27.893 1.00 23.66 H new ATOM 0 HG LEU A 120 21.323 1.979 27.051 1.00 23.95 H new ATOM 0 HD11 LEU A 120 22.264 2.638 29.238 1.00 23.98 H new ATOM 0 HD12 LEU A 120 20.501 2.877 29.185 1.00 23.98 H new ATOM 0 HD13 LEU A 120 21.184 1.477 30.046 1.00 23.98 H new ATOM 0 HD21 LEU A 120 23.316 0.831 27.933 1.00 23.52 H new ATOM 0 HD22 LEU A 120 22.269 -0.382 28.709 1.00 23.52 H new ATOM 0 HD23 LEU A 120 22.321 -0.255 26.934 1.00 23.52 H new ATOM 1978 N ASN A 121 18.066 -0.774 30.651 1.00 23.21 N ATOM 1979 CA ASN A 121 16.764 -0.790 31.300 1.00 23.56 C ATOM 1980 C ASN A 121 16.387 0.593 31.822 1.00 24.31 C ATOM 1981 O ASN A 121 15.369 0.757 32.486 1.00 24.76 O ATOM 1982 CB ASN A 121 16.762 -1.817 32.435 1.00 23.18 C ATOM 1983 CG ASN A 121 18.133 -1.986 33.061 1.00 23.09 C ATOM 1984 OD1 ASN A 121 18.936 -2.794 32.603 1.00 23.47 O ATOM 1985 ND2 ASN A 121 18.414 -1.232 34.106 1.00 22.69 N ATOM 0 H ASN A 121 18.839 -1.039 31.262 1.00 23.21 H new ATOM 0 HA ASN A 121 16.015 -1.076 30.561 1.00 23.56 H new ATOM 0 HB2 ASN A 121 16.051 -1.507 33.201 1.00 23.18 H new ATOM 0 HB3 ASN A 121 16.419 -2.778 32.052 1.00 23.18 H new ATOM 0 HD21 ASN A 121 19.324 -1.310 34.561 1.00 22.69 H new ATOM 0 HD22 ASN A 121 17.722 -0.571 34.459 1.00 22.69 H new