USER MOD reduce.3.24.130724 H: found=0, std=0, add=995, rem=0, adj=29 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 57 GLN :FLIP amide:sc= -0.675 F(o=-2.9,f=-0.8) USER MOD Set 1.2: A 58 ASN :FLIP amide:sc= -0.129 F(o=-2.3!,f=-0.8) USER MOD Set 2.1: A 48 SER OG : rot 166:sc= 0.932 USER MOD Set 2.2: A 66 HIS : no HE2:sc= -5.51! C(o=-4.6!,f=-13!) USER MOD Set 3.1: A 42 MET CE :methyl 169:sc= -0.0137 (180deg=-0.187) USER MOD Set 3.2: A 76 THR OG1 : rot 84:sc= 1 USER MOD Single : A 1 GLN :FLIP amide:sc= -0.0447 F(o=-0.66,f=-0.045) USER MOD Single : A 1 GLN N :NH3+ 139:sc= 0.0123 (180deg=-0.43) USER MOD Single : A 3 GLN :FLIP amide:sc= -2.13 F(o=-6.2!,f=-2.1) USER MOD Single : A 5 LYS NZ :NH3+ -159:sc=-0.00589 (180deg=-0.411) USER MOD Single : A 7 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 ASN :FLIP amide:sc= 0.287 F(o=-6.1!,f=0.29) USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 GLN : amide:sc= -0.285 X(o=-0.29,f=-0.13) USER MOD Single : A 37 THR OG1 : rot -38:sc= 0.798 USER MOD Single : A 39 CYS SG : rot -70:sc= -8.21! USER MOD Single : A 40 LYS NZ :NH3+ -174:sc= 1.06 (180deg=0.704) USER MOD Single : A 46 LYS NZ :NH3+ 178:sc= 0.193 (180deg=0.0875) 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+ -127:sc= 0.935 (180deg=-0.79) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 LYS NZ :NH3+ 167:sc=-0.00887 (180deg=-0.153) USER MOD Single : A 63 ASN : amide:sc= -1.49 X(o=-1.5,f=-2!) USER MOD Single : A 68 ASN :FLIP amide:sc= -1.03 F(o=-1.8,f=-1) USER MOD Single : A 72 HIS : no HE2:sc= -5.28! C(o=-5.3!,f=-11!) USER MOD Single : A 81 GLN : amide:sc= 0 K(o=0,f=-0.54) USER MOD Single : A 82 ASN : amide:sc= 0.365 X(o=0.36,f=-0.07) USER MOD Single : A 87 LYS NZ :NH3+ -173:sc= 0.616 (180deg=0.559) USER MOD Single : A 89 LYS NZ :NH3+ -151:sc= 1.23 (180deg=1.07) USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 SER OG : rot 53:sc= 1.41 USER MOD Single : A 110 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.0027) USER MOD Single : A 111 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 112 MET CE :methyl 163:sc= -0.0934 (180deg=-0.51) USER MOD Single : A 113 LYS NZ :NH3+ 148:sc= -0.232 (180deg=-0.956) USER MOD Single : A 115 MET CE :methyl 150:sc= -0.123 (180deg=-0.532) USER MOD Single : A 121 ASN : amide:sc= -0.285 X(o=-0.29,f=-0.02) USER MOD ----------------------------------------------------------------- ATOM 1 N GLN A 1 -11.927 13.692 -11.455 1.00 0.76 N ATOM 2 CA GLN A 1 -10.824 13.822 -10.478 1.00 0.55 C ATOM 3 C GLN A 1 -9.558 13.175 -11.011 1.00 0.49 C ATOM 4 O GLN A 1 -9.577 12.488 -12.033 1.00 0.60 O ATOM 5 CB GLN A 1 -11.207 13.192 -9.138 1.00 0.52 C ATOM 6 CG GLN A 1 -11.492 11.707 -9.208 1.00 0.69 C ATOM 7 CD GLN A 1 -12.300 11.211 -8.023 1.00 0.71 C ATOM 8 OE1 GLN A 1 -12.115 11.834 -6.872 1.00 1.40 O flip ATOM 9 NE2 GLN A 1 -13.086 10.274 -8.145 1.00 0.88 N flip ATOM 0 H1 GLN A 1 -12.810 13.465 -10.954 1.00 0.76 H new ATOM 0 H2 GLN A 1 -12.042 14.588 -11.970 1.00 0.76 H new ATOM 0 H3 GLN A 1 -11.706 12.932 -12.129 1.00 0.76 H new ATOM 0 HA GLN A 1 -10.638 14.885 -10.323 1.00 0.55 H new ATOM 0 HB2 GLN A 1 -10.400 13.362 -8.426 1.00 0.52 H new ATOM 0 HB3 GLN A 1 -12.088 13.702 -8.749 1.00 0.52 H new ATOM 0 HG2 GLN A 1 -12.032 11.488 -10.129 1.00 0.69 H new ATOM 0 HG3 GLN A 1 -10.549 11.162 -9.254 1.00 0.69 H new ATOM 0 HE21 GLN A 1 -13.201 9.819 -9.051 1.00 0.88 H new ATOM 0 HE22 GLN A 1 -13.624 9.951 -7.341 1.00 0.88 H new ATOM 20 N LEU A 2 -8.467 13.382 -10.302 1.00 0.39 N ATOM 21 CA LEU A 2 -7.200 12.781 -10.653 1.00 0.36 C ATOM 22 C LEU A 2 -6.928 11.647 -9.678 1.00 0.26 C ATOM 23 O LEU A 2 -7.122 11.801 -8.476 1.00 0.27 O ATOM 24 CB LEU A 2 -6.103 13.860 -10.610 1.00 0.48 C ATOM 25 CG LEU A 2 -4.774 13.468 -9.960 1.00 0.85 C ATOM 26 CD1 LEU A 2 -4.023 12.447 -10.806 1.00 1.45 C ATOM 27 CD2 LEU A 2 -3.910 14.700 -9.728 1.00 1.32 C ATOM 0 H LEU A 2 -8.435 13.970 -9.469 1.00 0.39 H new ATOM 0 HA LEU A 2 -7.217 12.371 -11.663 1.00 0.36 H new ATOM 0 HB2 LEU A 2 -5.900 14.179 -11.632 1.00 0.48 H new ATOM 0 HB3 LEU A 2 -6.499 14.726 -10.079 1.00 0.48 H new ATOM 0 HG LEU A 2 -4.997 13.008 -8.997 1.00 0.85 H new ATOM 0 HD11 LEU A 2 -3.084 12.190 -10.317 1.00 1.45 H new ATOM 0 HD12 LEU A 2 -4.631 11.550 -10.918 1.00 1.45 H new ATOM 0 HD13 LEU A 2 -3.816 12.871 -11.789 1.00 1.45 H new ATOM 0 HD21 LEU A 2 -2.969 14.403 -9.265 1.00 1.32 H new ATOM 0 HD22 LEU A 2 -3.707 15.187 -10.682 1.00 1.32 H new ATOM 0 HD23 LEU A 2 -4.434 15.394 -9.071 1.00 1.32 H new ATOM 39 N GLN A 3 -6.517 10.500 -10.191 1.00 0.24 N ATOM 40 CA GLN A 3 -6.268 9.354 -9.340 1.00 0.22 C ATOM 41 C GLN A 3 -4.967 8.681 -9.720 1.00 0.22 C ATOM 42 O GLN A 3 -4.685 8.486 -10.901 1.00 0.25 O ATOM 43 CB GLN A 3 -7.395 8.312 -9.439 1.00 0.24 C ATOM 44 CG GLN A 3 -8.709 8.832 -10.004 1.00 0.26 C ATOM 45 CD GLN A 3 -9.854 7.854 -9.796 1.00 0.26 C ATOM 46 OE1 GLN A 3 -9.533 6.575 -9.699 1.00 0.33 O flip ATOM 47 NE2 GLN A 3 -11.013 8.250 -9.706 1.00 0.25 N flip ATOM 0 H GLN A 3 -6.350 10.340 -11.184 1.00 0.24 H new ATOM 0 HA GLN A 3 -6.217 9.729 -8.318 1.00 0.22 H new ATOM 0 HB2 GLN A 3 -7.051 7.486 -10.062 1.00 0.24 H new ATOM 0 HB3 GLN A 3 -7.581 7.905 -8.445 1.00 0.24 H new ATOM 0 HG2 GLN A 3 -8.955 9.782 -9.530 1.00 0.26 H new ATOM 0 HG3 GLN A 3 -8.591 9.029 -11.070 1.00 0.26 H new ATOM 0 HE21 GLN A 3 -11.219 9.246 -9.786 1.00 0.25 H new ATOM 0 HE22 GLN A 3 -11.769 7.583 -9.551 1.00 0.25 H new ATOM 56 N GLU A 4 -4.171 8.338 -8.725 1.00 0.22 N ATOM 57 CA GLU A 4 -3.045 7.454 -8.949 1.00 0.25 C ATOM 58 C GLU A 4 -3.257 6.183 -8.161 1.00 0.23 C ATOM 59 O GLU A 4 -3.329 6.210 -6.929 1.00 0.27 O ATOM 60 CB GLU A 4 -1.724 8.086 -8.523 1.00 0.30 C ATOM 61 CG GLU A 4 -1.679 9.581 -8.704 1.00 0.28 C ATOM 62 CD GLU A 4 -0.278 10.080 -8.964 1.00 0.51 C ATOM 63 OE1 GLU A 4 0.127 10.153 -10.140 1.00 0.88 O ATOM 64 OE2 GLU A 4 0.422 10.420 -7.986 1.00 0.75 O ATOM 0 H GLU A 4 -4.282 8.655 -7.762 1.00 0.22 H new ATOM 0 HA GLU A 4 -2.988 7.249 -10.018 1.00 0.25 H new ATOM 0 HB2 GLU A 4 -1.541 7.851 -7.475 1.00 0.30 H new ATOM 0 HB3 GLU A 4 -0.914 7.635 -9.097 1.00 0.30 H new ATOM 0 HG2 GLU A 4 -2.324 9.865 -9.535 1.00 0.28 H new ATOM 0 HG3 GLU A 4 -2.076 10.066 -7.812 1.00 0.28 H new ATOM 71 N LYS A 5 -3.357 5.070 -8.854 1.00 0.24 N ATOM 72 CA LYS A 5 -3.554 3.805 -8.177 1.00 0.25 C ATOM 73 C LYS A 5 -2.218 3.154 -7.985 1.00 0.25 C ATOM 74 O LYS A 5 -1.545 2.788 -8.947 1.00 0.30 O ATOM 75 CB LYS A 5 -4.432 2.835 -8.956 1.00 0.30 C ATOM 76 CG LYS A 5 -5.220 3.468 -10.064 1.00 0.40 C ATOM 77 CD LYS A 5 -6.479 4.157 -9.587 1.00 0.66 C ATOM 78 CE LYS A 5 -7.503 4.252 -10.711 1.00 1.21 C ATOM 79 NZ LYS A 5 -6.880 4.543 -12.032 1.00 1.43 N ATOM 0 H LYS A 5 -3.306 5.013 -9.871 1.00 0.24 H new ATOM 0 HA LYS A 5 -4.054 4.024 -7.234 1.00 0.25 H new ATOM 0 HB2 LYS A 5 -3.802 2.051 -9.376 1.00 0.30 H new ATOM 0 HB3 LYS A 5 -5.123 2.353 -8.264 1.00 0.30 H new ATOM 0 HG2 LYS A 5 -4.590 4.193 -10.579 1.00 0.40 H new ATOM 0 HG3 LYS A 5 -5.487 2.703 -10.793 1.00 0.40 H new ATOM 0 HD2 LYS A 5 -6.904 3.607 -8.747 1.00 0.66 H new ATOM 0 HD3 LYS A 5 -6.237 5.156 -9.224 1.00 0.66 H new ATOM 0 HE2 LYS A 5 -8.056 3.315 -10.773 1.00 1.21 H new ATOM 0 HE3 LYS A 5 -8.225 5.033 -10.474 1.00 1.21 H new ATOM 0 HZ1 LYS A 5 -7.595 4.943 -12.673 1.00 1.43 H new ATOM 0 HZ2 LYS A 5 -6.106 5.226 -11.908 1.00 1.43 H new ATOM 0 HZ3 LYS A 5 -6.503 3.663 -12.439 1.00 1.43 H new ATOM 93 N LEU A 6 -1.847 2.998 -6.755 1.00 0.23 N ATOM 94 CA LEU A 6 -0.613 2.336 -6.443 1.00 0.25 C ATOM 95 C LEU A 6 -0.906 0.889 -6.108 1.00 0.24 C ATOM 96 O LEU A 6 -1.274 0.539 -4.985 1.00 0.24 O ATOM 97 CB LEU A 6 0.104 3.087 -5.331 1.00 0.26 C ATOM 98 CG LEU A 6 0.336 4.564 -5.663 1.00 0.27 C ATOM 99 CD1 LEU A 6 0.931 5.299 -4.480 1.00 0.32 C ATOM 100 CD2 LEU A 6 1.235 4.703 -6.882 1.00 0.30 C ATOM 0 H LEU A 6 -2.379 3.319 -5.946 1.00 0.23 H new ATOM 0 HA LEU A 6 0.064 2.337 -7.297 1.00 0.25 H new ATOM 0 HB2 LEU A 6 -0.481 3.013 -4.414 1.00 0.26 H new ATOM 0 HB3 LEU A 6 1.064 2.608 -5.136 1.00 0.26 H new ATOM 0 HG LEU A 6 -0.630 5.014 -5.891 1.00 0.27 H new ATOM 0 HD11 LEU A 6 1.086 6.346 -4.742 1.00 0.32 H new ATOM 0 HD12 LEU A 6 0.250 5.234 -3.632 1.00 0.32 H new ATOM 0 HD13 LEU A 6 1.886 4.847 -4.214 1.00 0.32 H new ATOM 0 HD21 LEU A 6 1.388 5.759 -7.102 1.00 0.30 H new ATOM 0 HD22 LEU A 6 2.197 4.231 -6.681 1.00 0.30 H new ATOM 0 HD23 LEU A 6 0.765 4.218 -7.738 1.00 0.30 H new ATOM 112 N TYR A 7 -0.815 0.069 -7.140 1.00 0.27 N ATOM 113 CA TYR A 7 -1.233 -1.317 -7.075 1.00 0.27 C ATOM 114 C TYR A 7 -0.317 -2.161 -6.219 1.00 0.29 C ATOM 115 O TYR A 7 0.907 -2.090 -6.336 1.00 0.38 O ATOM 116 CB TYR A 7 -1.285 -1.924 -8.477 1.00 0.32 C ATOM 117 CG TYR A 7 -2.561 -1.638 -9.226 1.00 0.35 C ATOM 118 CD1 TYR A 7 -2.795 -0.395 -9.795 1.00 0.47 C ATOM 119 CD2 TYR A 7 -3.534 -2.617 -9.360 1.00 0.36 C ATOM 120 CE1 TYR A 7 -3.965 -0.137 -10.479 1.00 0.57 C ATOM 121 CE2 TYR A 7 -4.704 -2.368 -10.041 1.00 0.46 C ATOM 122 CZ TYR A 7 -4.916 -1.126 -10.599 1.00 0.56 C ATOM 123 OH TYR A 7 -6.086 -0.865 -11.273 1.00 0.69 O ATOM 0 H TYR A 7 -0.447 0.348 -8.050 1.00 0.27 H new ATOM 0 HA TYR A 7 -2.223 -1.318 -6.620 1.00 0.27 H new ATOM 0 HB2 TYR A 7 -0.444 -1.544 -9.057 1.00 0.32 H new ATOM 0 HB3 TYR A 7 -1.157 -3.004 -8.399 1.00 0.32 H new ATOM 0 HD1 TYR A 7 -2.051 0.382 -9.701 1.00 0.47 H new ATOM 0 HD2 TYR A 7 -3.371 -3.591 -8.923 1.00 0.36 H new ATOM 0 HE1 TYR A 7 -4.134 0.835 -10.918 1.00 0.57 H new ATOM 0 HE2 TYR A 7 -5.451 -3.142 -10.137 1.00 0.46 H new ATOM 0 HH TYR A 7 -6.651 -1.666 -11.270 1.00 0.69 H new ATOM 133 N VAL A 8 -0.924 -2.959 -5.367 1.00 0.24 N ATOM 134 CA VAL A 8 -0.227 -4.046 -4.728 1.00 0.26 C ATOM 135 C VAL A 8 -0.937 -5.322 -5.115 1.00 0.26 C ATOM 136 O VAL A 8 -2.057 -5.576 -4.689 1.00 0.26 O ATOM 137 CB VAL A 8 -0.201 -3.896 -3.195 1.00 0.36 C ATOM 138 CG1 VAL A 8 0.897 -2.937 -2.770 1.00 1.12 C ATOM 139 CG2 VAL A 8 -1.561 -3.427 -2.684 1.00 1.27 C ATOM 0 H VAL A 8 -1.905 -2.871 -5.102 1.00 0.24 H new ATOM 0 HA VAL A 8 0.813 -4.054 -5.056 1.00 0.26 H new ATOM 0 HB VAL A 8 0.013 -4.870 -2.755 1.00 0.36 H new ATOM 0 HG11 VAL A 8 0.899 -2.844 -1.684 1.00 1.12 H new ATOM 0 HG12 VAL A 8 1.862 -3.318 -3.104 1.00 1.12 H new ATOM 0 HG13 VAL A 8 0.719 -1.959 -3.217 1.00 1.12 H new ATOM 0 HG21 VAL A 8 -1.527 -3.326 -1.599 1.00 1.27 H new ATOM 0 HG22 VAL A 8 -1.805 -2.463 -3.131 1.00 1.27 H new ATOM 0 HG23 VAL A 8 -2.323 -4.157 -2.956 1.00 1.27 H new ATOM 149 N PRO A 9 -0.303 -6.149 -5.932 1.00 0.32 N ATOM 150 CA PRO A 9 -0.964 -7.319 -6.474 1.00 0.37 C ATOM 151 C PRO A 9 -1.217 -8.350 -5.387 1.00 0.34 C ATOM 152 O PRO A 9 -0.342 -9.142 -5.045 1.00 0.35 O ATOM 153 CB PRO A 9 0.018 -7.831 -7.525 1.00 0.44 C ATOM 154 CG PRO A 9 1.348 -7.329 -7.082 1.00 0.43 C ATOM 155 CD PRO A 9 1.091 -6.021 -6.384 1.00 0.39 C ATOM 0 HA PRO A 9 -1.945 -7.102 -6.896 1.00 0.37 H new ATOM 0 HB2 PRO A 9 0.005 -8.919 -7.581 1.00 0.44 H new ATOM 0 HB3 PRO A 9 -0.235 -7.458 -8.517 1.00 0.44 H new ATOM 0 HG2 PRO A 9 1.829 -8.041 -6.411 1.00 0.43 H new ATOM 0 HG3 PRO A 9 2.016 -7.192 -7.933 1.00 0.43 H new ATOM 0 HD2 PRO A 9 1.773 -5.870 -5.547 1.00 0.39 H new ATOM 0 HD3 PRO A 9 1.220 -5.173 -7.057 1.00 0.39 H new ATOM 163 N VAL A 10 -2.411 -8.310 -4.818 1.00 0.34 N ATOM 164 CA VAL A 10 -2.780 -9.228 -3.753 1.00 0.36 C ATOM 165 C VAL A 10 -2.789 -10.660 -4.281 1.00 0.43 C ATOM 166 O VAL A 10 -2.682 -11.627 -3.533 1.00 0.47 O ATOM 167 CB VAL A 10 -4.159 -8.865 -3.166 1.00 0.42 C ATOM 168 CG1 VAL A 10 -5.288 -9.272 -4.098 1.00 0.51 C ATOM 169 CG2 VAL A 10 -4.341 -9.474 -1.784 1.00 0.52 C ATOM 0 H VAL A 10 -3.143 -7.649 -5.077 1.00 0.34 H new ATOM 0 HA VAL A 10 -2.041 -9.146 -2.955 1.00 0.36 H new ATOM 0 HB VAL A 10 -4.197 -7.781 -3.063 1.00 0.42 H new ATOM 0 HG11 VAL A 10 -6.244 -9.000 -3.651 1.00 0.51 H new ATOM 0 HG12 VAL A 10 -5.175 -8.758 -5.053 1.00 0.51 H new ATOM 0 HG13 VAL A 10 -5.256 -10.349 -4.260 1.00 0.51 H new ATOM 0 HG21 VAL A 10 -5.322 -9.203 -1.393 1.00 0.52 H new ATOM 0 HG22 VAL A 10 -4.265 -10.559 -1.852 1.00 0.52 H new ATOM 0 HG23 VAL A 10 -3.567 -9.097 -1.116 1.00 0.52 H new ATOM 179 N LYS A 11 -2.907 -10.768 -5.596 1.00 0.49 N ATOM 180 CA LYS A 11 -2.892 -12.052 -6.278 1.00 0.58 C ATOM 181 C LYS A 11 -1.474 -12.599 -6.291 1.00 0.53 C ATOM 182 O LYS A 11 -1.248 -13.806 -6.377 1.00 0.60 O ATOM 183 CB LYS A 11 -3.431 -11.895 -7.702 1.00 0.72 C ATOM 184 CG LYS A 11 -4.812 -11.250 -7.773 1.00 1.27 C ATOM 185 CD LYS A 11 -5.940 -12.263 -7.609 1.00 1.76 C ATOM 186 CE LYS A 11 -6.006 -12.834 -6.202 1.00 2.24 C ATOM 187 NZ LYS A 11 -7.187 -13.713 -6.012 1.00 2.93 N ATOM 0 H LYS A 11 -3.016 -9.968 -6.219 1.00 0.49 H new ATOM 0 HA LYS A 11 -3.534 -12.756 -5.749 1.00 0.58 H new ATOM 0 HB2 LYS A 11 -2.730 -11.294 -8.281 1.00 0.72 H new ATOM 0 HB3 LYS A 11 -3.475 -12.877 -8.174 1.00 0.72 H new ATOM 0 HG2 LYS A 11 -4.895 -10.490 -6.996 1.00 1.27 H new ATOM 0 HG3 LYS A 11 -4.922 -10.740 -8.730 1.00 1.27 H new ATOM 0 HD2 LYS A 11 -6.890 -11.787 -7.850 1.00 1.76 H new ATOM 0 HD3 LYS A 11 -5.801 -13.076 -8.322 1.00 1.76 H new ATOM 0 HE2 LYS A 11 -5.097 -13.399 -5.998 1.00 2.24 H new ATOM 0 HE3 LYS A 11 -6.042 -12.017 -5.481 1.00 2.24 H new ATOM 0 HZ1 LYS A 11 -7.193 -14.081 -5.039 1.00 2.93 H new ATOM 0 HZ2 LYS A 11 -8.056 -13.168 -6.182 1.00 2.93 H new ATOM 0 HZ3 LYS A 11 -7.140 -14.507 -6.682 1.00 2.93 H new ATOM 201 N GLU A 12 -0.526 -11.681 -6.198 1.00 0.45 N ATOM 202 CA GLU A 12 0.883 -12.014 -6.106 1.00 0.44 C ATOM 203 C GLU A 12 1.232 -12.426 -4.686 1.00 0.39 C ATOM 204 O GLU A 12 2.053 -13.315 -4.466 1.00 0.43 O ATOM 205 CB GLU A 12 1.718 -10.808 -6.513 1.00 0.46 C ATOM 206 CG GLU A 12 1.785 -10.575 -8.016 1.00 0.60 C ATOM 207 CD GLU A 12 2.612 -11.613 -8.745 1.00 0.77 C ATOM 208 OE1 GLU A 12 2.055 -12.663 -9.121 1.00 0.96 O ATOM 209 OE2 GLU A 12 3.818 -11.369 -8.965 1.00 0.97 O ATOM 0 H GLU A 12 -0.715 -10.679 -6.184 1.00 0.45 H new ATOM 0 HA GLU A 12 1.097 -12.847 -6.776 1.00 0.44 H new ATOM 0 HB2 GLU A 12 1.307 -9.918 -6.036 1.00 0.46 H new ATOM 0 HB3 GLU A 12 2.731 -10.935 -6.131 1.00 0.46 H new ATOM 0 HG2 GLU A 12 0.774 -10.575 -8.422 1.00 0.60 H new ATOM 0 HG3 GLU A 12 2.205 -9.587 -8.206 1.00 0.60 H new ATOM 216 N TYR A 13 0.585 -11.781 -3.726 1.00 0.34 N ATOM 217 CA TYR A 13 0.838 -12.040 -2.315 1.00 0.35 C ATOM 218 C TYR A 13 -0.441 -12.516 -1.639 1.00 0.39 C ATOM 219 O TYR A 13 -1.093 -11.752 -0.933 1.00 0.40 O ATOM 220 CB TYR A 13 1.349 -10.771 -1.618 1.00 0.34 C ATOM 221 CG TYR A 13 2.474 -10.081 -2.351 1.00 0.35 C ATOM 222 CD1 TYR A 13 2.219 -9.165 -3.360 1.00 0.34 C ATOM 223 CD2 TYR A 13 3.795 -10.343 -2.017 1.00 0.44 C ATOM 224 CE1 TYR A 13 3.259 -8.528 -4.019 1.00 0.40 C ATOM 225 CE2 TYR A 13 4.835 -9.712 -2.663 1.00 0.48 C ATOM 226 CZ TYR A 13 4.523 -8.817 -3.739 1.00 0.46 C ATOM 227 OH TYR A 13 5.608 -8.174 -4.305 1.00 0.53 O ATOM 0 H TYR A 13 -0.124 -11.069 -3.900 1.00 0.34 H new ATOM 0 HA TYR A 13 1.600 -12.815 -2.236 1.00 0.35 H new ATOM 0 HB2 TYR A 13 0.520 -10.072 -1.504 1.00 0.34 H new ATOM 0 HB3 TYR A 13 1.687 -11.031 -0.615 1.00 0.34 H new ATOM 0 HD1 TYR A 13 1.198 -8.945 -3.636 1.00 0.34 H new ATOM 0 HD2 TYR A 13 4.012 -11.056 -1.235 1.00 0.44 H new ATOM 0 HE1 TYR A 13 3.037 -7.786 -4.771 1.00 0.40 H new ATOM 0 HE2 TYR A 13 5.859 -9.887 -2.367 1.00 0.48 H new ATOM 0 HH TYR A 13 6.437 -8.555 -3.947 1.00 0.53 H new ATOM 237 N PRO A 14 -0.821 -13.789 -1.842 1.00 0.47 N ATOM 238 CA PRO A 14 -2.087 -14.320 -1.327 1.00 0.55 C ATOM 239 C PRO A 14 -2.096 -14.405 0.195 1.00 0.59 C ATOM 240 O PRO A 14 -3.153 -14.488 0.824 1.00 0.68 O ATOM 241 CB PRO A 14 -2.172 -15.715 -1.948 1.00 0.64 C ATOM 242 CG PRO A 14 -0.760 -16.093 -2.231 1.00 0.75 C ATOM 243 CD PRO A 14 -0.051 -14.812 -2.572 1.00 0.52 C ATOM 0 HA PRO A 14 -2.933 -13.681 -1.581 1.00 0.55 H new ATOM 0 HB2 PRO A 14 -2.642 -16.424 -1.266 1.00 0.64 H new ATOM 0 HB3 PRO A 14 -2.769 -15.706 -2.860 1.00 0.64 H new ATOM 0 HG2 PRO A 14 -0.303 -16.574 -1.366 1.00 0.75 H new ATOM 0 HG3 PRO A 14 -0.704 -16.802 -3.057 1.00 0.75 H new ATOM 0 HD2 PRO A 14 0.991 -14.833 -2.254 1.00 0.52 H new ATOM 0 HD3 PRO A 14 -0.053 -14.626 -3.646 1.00 0.52 H new ATOM 251 N ASP A 15 -0.911 -14.370 0.782 1.00 0.57 N ATOM 252 CA ASP A 15 -0.779 -14.462 2.225 1.00 0.67 C ATOM 253 C ASP A 15 -0.473 -13.112 2.847 1.00 0.62 C ATOM 254 O ASP A 15 -0.240 -13.023 4.052 1.00 0.76 O ATOM 255 CB ASP A 15 0.300 -15.472 2.608 1.00 0.78 C ATOM 256 CG ASP A 15 -0.283 -16.834 2.917 1.00 1.64 C ATOM 257 OD1 ASP A 15 -0.471 -17.634 1.979 1.00 2.43 O ATOM 258 OD2 ASP A 15 -0.559 -17.108 4.105 1.00 2.15 O ATOM 0 H ASP A 15 -0.027 -14.279 0.281 1.00 0.57 H new ATOM 0 HA ASP A 15 -1.738 -14.804 2.616 1.00 0.67 H new ATOM 0 HB2 ASP A 15 1.019 -15.561 1.793 1.00 0.78 H new ATOM 0 HB3 ASP A 15 0.847 -15.106 3.477 1.00 0.78 H new ATOM 263 N PHE A 16 -0.478 -12.057 2.044 1.00 0.48 N ATOM 264 CA PHE A 16 -0.318 -10.728 2.596 1.00 0.43 C ATOM 265 C PHE A 16 -1.552 -9.881 2.354 1.00 0.37 C ATOM 266 O PHE A 16 -1.975 -9.657 1.223 1.00 0.36 O ATOM 267 CB PHE A 16 0.920 -10.004 2.097 1.00 0.41 C ATOM 268 CG PHE A 16 1.209 -8.855 3.009 1.00 0.40 C ATOM 269 CD1 PHE A 16 1.666 -9.061 4.291 1.00 0.52 C ATOM 270 CD2 PHE A 16 1.093 -7.559 2.538 1.00 0.34 C ATOM 271 CE1 PHE A 16 2.007 -7.997 5.092 1.00 0.56 C ATOM 272 CE2 PHE A 16 1.420 -6.489 3.339 1.00 0.36 C ATOM 273 CZ PHE A 16 1.599 -6.760 4.768 1.00 0.49 C ATOM 0 H PHE A 16 -0.589 -12.096 1.031 1.00 0.48 H new ATOM 0 HA PHE A 16 -0.183 -10.873 3.668 1.00 0.43 H new ATOM 0 HB2 PHE A 16 1.770 -10.686 2.069 1.00 0.41 H new ATOM 0 HB3 PHE A 16 0.764 -9.647 1.079 1.00 0.41 H new ATOM 0 HD1 PHE A 16 1.758 -10.068 4.671 1.00 0.52 H new ATOM 0 HD2 PHE A 16 0.742 -7.386 1.531 1.00 0.34 H new ATOM 0 HE1 PHE A 16 2.602 -8.156 5.979 1.00 0.56 H new ATOM 0 HE2 PHE A 16 1.539 -5.495 2.933 1.00 0.36 H new ATOM 0 HZ PHE A 16 1.413 -6.006 5.519 1.00 0.49 H new ATOM 283 N ASN A 17 -2.106 -9.412 3.447 1.00 0.37 N ATOM 284 CA ASN A 17 -3.324 -8.636 3.444 1.00 0.35 C ATOM 285 C ASN A 17 -2.992 -7.153 3.618 1.00 0.30 C ATOM 286 O ASN A 17 -2.754 -6.677 4.729 1.00 0.30 O ATOM 287 CB ASN A 17 -4.216 -9.184 4.564 1.00 0.45 C ATOM 288 CG ASN A 17 -5.341 -8.278 4.990 1.00 0.74 C ATOM 289 OD1 ASN A 17 -5.105 -7.538 6.054 1.00 1.29 O flip ATOM 290 ND2 ASN A 17 -6.411 -8.248 4.387 1.00 0.71 N flip ATOM 0 H ASN A 17 -1.717 -9.561 4.378 1.00 0.37 H new ATOM 0 HA ASN A 17 -3.859 -8.720 2.498 1.00 0.35 H new ATOM 0 HB2 ASN A 17 -4.640 -10.134 4.237 1.00 0.45 H new ATOM 0 HB3 ASN A 17 -3.592 -9.395 5.433 1.00 0.45 H new ATOM 0 HD21 ASN A 17 -6.551 -8.838 3.567 1.00 0.71 H new ATOM 0 HD22 ASN A 17 -7.159 -7.633 4.706 1.00 0.71 H new ATOM 297 N PHE A 18 -2.924 -6.433 2.499 1.00 0.28 N ATOM 298 CA PHE A 18 -2.521 -5.026 2.507 1.00 0.26 C ATOM 299 C PHE A 18 -3.532 -4.142 3.221 1.00 0.27 C ATOM 300 O PHE A 18 -3.182 -3.100 3.744 1.00 0.27 O ATOM 301 CB PHE A 18 -2.288 -4.523 1.083 1.00 0.24 C ATOM 302 CG PHE A 18 -1.163 -5.238 0.409 1.00 0.23 C ATOM 303 CD1 PHE A 18 0.164 -4.949 0.703 1.00 0.24 C ATOM 304 CD2 PHE A 18 -1.443 -6.191 -0.542 1.00 0.23 C ATOM 305 CE1 PHE A 18 1.188 -5.609 0.045 1.00 0.26 C ATOM 306 CE2 PHE A 18 -0.433 -6.850 -1.196 1.00 0.25 C ATOM 307 CZ PHE A 18 0.962 -6.564 -0.772 1.00 0.25 C ATOM 0 H PHE A 18 -3.143 -6.801 1.573 1.00 0.28 H new ATOM 0 HA PHE A 18 -1.585 -4.965 3.063 1.00 0.26 H new ATOM 0 HB2 PHE A 18 -3.200 -4.653 0.500 1.00 0.24 H new ATOM 0 HB3 PHE A 18 -2.074 -3.454 1.107 1.00 0.24 H new ATOM 0 HD1 PHE A 18 0.398 -4.205 1.450 1.00 0.24 H new ATOM 0 HD2 PHE A 18 -2.471 -6.424 -0.777 1.00 0.23 H new ATOM 0 HE1 PHE A 18 2.209 -5.307 0.228 1.00 0.26 H new ATOM 0 HE2 PHE A 18 -0.644 -7.551 -1.990 1.00 0.25 H new ATOM 0 HZ PHE A 18 1.779 -7.159 -1.152 1.00 0.25 H new ATOM 317 N VAL A 19 -4.780 -4.561 3.246 1.00 0.31 N ATOM 318 CA VAL A 19 -5.820 -3.816 3.946 1.00 0.32 C ATOM 319 C VAL A 19 -5.545 -3.747 5.443 1.00 0.29 C ATOM 320 O VAL A 19 -5.494 -2.667 6.019 1.00 0.27 O ATOM 321 CB VAL A 19 -7.203 -4.448 3.690 1.00 0.41 C ATOM 322 CG1 VAL A 19 -8.252 -3.880 4.627 1.00 1.34 C ATOM 323 CG2 VAL A 19 -7.616 -4.234 2.243 1.00 1.13 C ATOM 0 H VAL A 19 -5.105 -5.414 2.791 1.00 0.31 H new ATOM 0 HA VAL A 19 -5.816 -2.799 3.555 1.00 0.32 H new ATOM 0 HB VAL A 19 -7.126 -5.518 3.885 1.00 0.41 H new ATOM 0 HG11 VAL A 19 -9.215 -4.346 4.420 1.00 1.34 H new ATOM 0 HG12 VAL A 19 -7.965 -4.081 5.659 1.00 1.34 H new ATOM 0 HG13 VAL A 19 -8.330 -2.803 4.476 1.00 1.34 H new ATOM 0 HG21 VAL A 19 -8.594 -4.684 2.073 1.00 1.13 H new ATOM 0 HG22 VAL A 19 -7.667 -3.166 2.033 1.00 1.13 H new ATOM 0 HG23 VAL A 19 -6.883 -4.698 1.583 1.00 1.13 H new ATOM 333 N GLY A 20 -5.310 -4.889 6.058 1.00 0.33 N ATOM 334 CA GLY A 20 -5.026 -4.915 7.482 1.00 0.35 C ATOM 335 C GLY A 20 -3.651 -4.377 7.770 1.00 0.32 C ATOM 336 O GLY A 20 -3.339 -3.985 8.888 1.00 0.38 O ATOM 0 H GLY A 20 -5.309 -5.802 5.602 1.00 0.33 H new ATOM 0 HA2 GLY A 20 -5.770 -4.324 8.015 1.00 0.35 H new ATOM 0 HA3 GLY A 20 -5.105 -5.937 7.853 1.00 0.35 H new ATOM 340 N ARG A 21 -2.833 -4.359 6.738 1.00 0.29 N ATOM 341 CA ARG A 21 -1.503 -3.807 6.825 1.00 0.32 C ATOM 342 C ARG A 21 -1.540 -2.281 6.726 1.00 0.31 C ATOM 343 O ARG A 21 -0.836 -1.580 7.458 1.00 0.39 O ATOM 344 CB ARG A 21 -0.627 -4.414 5.718 1.00 0.33 C ATOM 345 CG ARG A 21 0.334 -3.430 5.065 1.00 0.56 C ATOM 346 CD ARG A 21 1.681 -3.395 5.766 1.00 0.52 C ATOM 347 NE ARG A 21 1.566 -3.347 7.229 1.00 1.51 N ATOM 348 CZ ARG A 21 1.850 -4.364 8.048 1.00 2.26 C ATOM 349 NH1 ARG A 21 2.183 -5.550 7.555 1.00 2.34 N ATOM 350 NH2 ARG A 21 1.781 -4.194 9.363 1.00 3.20 N ATOM 0 H ARG A 21 -3.074 -4.727 5.818 1.00 0.29 H new ATOM 0 HA ARG A 21 -1.072 -4.059 7.794 1.00 0.32 H new ATOM 0 HB2 ARG A 21 -0.052 -5.240 6.138 1.00 0.33 H new ATOM 0 HB3 ARG A 21 -1.275 -4.835 4.949 1.00 0.33 H new ATOM 0 HG2 ARG A 21 0.477 -3.703 4.020 1.00 0.56 H new ATOM 0 HG3 ARG A 21 -0.106 -2.433 5.076 1.00 0.56 H new ATOM 0 HD2 ARG A 21 2.256 -4.276 5.481 1.00 0.52 H new ATOM 0 HD3 ARG A 21 2.241 -2.525 5.422 1.00 0.52 H new ATOM 0 HE ARG A 21 1.246 -2.475 7.650 1.00 1.51 H new ATOM 0 HH11 ARG A 21 2.223 -5.690 6.545 1.00 2.34 H new ATOM 0 HH12 ARG A 21 2.399 -6.322 8.186 1.00 2.34 H new ATOM 0 HH21 ARG A 21 1.512 -3.288 9.747 1.00 3.20 H new ATOM 0 HH22 ARG A 21 1.997 -4.969 9.990 1.00 3.20 H new ATOM 364 N ILE A 22 -2.360 -1.770 5.819 1.00 0.27 N ATOM 365 CA ILE A 22 -2.405 -0.342 5.564 1.00 0.31 C ATOM 366 C ILE A 22 -3.425 0.371 6.442 1.00 0.28 C ATOM 367 O ILE A 22 -3.065 1.247 7.230 1.00 0.32 O ATOM 368 CB ILE A 22 -2.761 -0.076 4.082 1.00 0.40 C ATOM 369 CG1 ILE A 22 -1.635 -0.546 3.158 1.00 0.51 C ATOM 370 CG2 ILE A 22 -3.084 1.387 3.844 1.00 0.52 C ATOM 371 CD1 ILE A 22 -0.287 0.054 3.482 1.00 0.99 C ATOM 0 H ILE A 22 -3.001 -2.323 5.250 1.00 0.27 H new ATOM 0 HA ILE A 22 -1.415 0.050 5.798 1.00 0.31 H new ATOM 0 HB ILE A 22 -3.656 -0.653 3.848 1.00 0.40 H new ATOM 0 HG12 ILE A 22 -1.561 -1.632 3.214 1.00 0.51 H new ATOM 0 HG13 ILE A 22 -1.895 -0.297 2.129 1.00 0.51 H new ATOM 0 HG21 ILE A 22 -3.330 1.539 2.793 1.00 0.52 H new ATOM 0 HG22 ILE A 22 -3.935 1.677 4.461 1.00 0.52 H new ATOM 0 HG23 ILE A 22 -2.220 1.998 4.107 1.00 0.52 H new ATOM 0 HD11 ILE A 22 0.458 -0.327 2.784 1.00 0.99 H new ATOM 0 HD12 ILE A 22 -0.342 1.139 3.397 1.00 0.99 H new ATOM 0 HD13 ILE A 22 -0.003 -0.216 4.499 1.00 0.99 H new ATOM 383 N LEU A 23 -4.687 -0.022 6.344 1.00 0.30 N ATOM 384 CA LEU A 23 -5.724 0.643 7.109 1.00 0.35 C ATOM 385 C LEU A 23 -6.211 -0.203 8.287 1.00 0.37 C ATOM 386 O LEU A 23 -7.099 0.216 9.026 1.00 0.47 O ATOM 387 CB LEU A 23 -6.894 1.162 6.224 1.00 0.59 C ATOM 388 CG LEU A 23 -7.675 0.171 5.336 1.00 0.68 C ATOM 389 CD1 LEU A 23 -6.780 -0.506 4.314 1.00 1.69 C ATOM 390 CD2 LEU A 23 -8.428 -0.854 6.166 1.00 1.15 C ATOM 0 H LEU A 23 -5.011 -0.786 5.751 1.00 0.30 H new ATOM 0 HA LEU A 23 -5.259 1.531 7.536 1.00 0.35 H new ATOM 0 HB2 LEU A 23 -7.614 1.645 6.885 1.00 0.59 H new ATOM 0 HB3 LEU A 23 -6.491 1.937 5.572 1.00 0.59 H new ATOM 0 HG LEU A 23 -8.411 0.758 4.786 1.00 0.68 H new ATOM 0 HD11 LEU A 23 -7.372 -1.195 3.711 1.00 1.69 H new ATOM 0 HD12 LEU A 23 -6.331 0.248 3.668 1.00 1.69 H new ATOM 0 HD13 LEU A 23 -5.993 -1.058 4.828 1.00 1.69 H new ATOM 0 HD21 LEU A 23 -8.965 -1.534 5.505 1.00 1.15 H new ATOM 0 HD22 LEU A 23 -7.722 -1.421 6.773 1.00 1.15 H new ATOM 0 HD23 LEU A 23 -9.138 -0.344 6.817 1.00 1.15 H new ATOM 402 N GLY A 24 -5.633 -1.397 8.454 1.00 0.35 N ATOM 403 CA GLY A 24 -6.013 -2.271 9.557 1.00 0.45 C ATOM 404 C GLY A 24 -6.004 -1.561 10.902 1.00 0.56 C ATOM 405 O GLY A 24 -7.060 -1.238 11.441 1.00 0.70 O ATOM 0 H GLY A 24 -4.908 -1.773 7.843 1.00 0.35 H new ATOM 0 HA2 GLY A 24 -7.009 -2.672 9.370 1.00 0.45 H new ATOM 0 HA3 GLY A 24 -5.329 -3.119 9.595 1.00 0.45 H new ATOM 409 N PRO A 25 -4.823 -1.321 11.482 1.00 0.59 N ATOM 410 CA PRO A 25 -4.694 -0.529 12.701 1.00 0.74 C ATOM 411 C PRO A 25 -4.621 0.966 12.402 1.00 0.75 C ATOM 412 O PRO A 25 -4.792 1.801 13.289 1.00 0.90 O ATOM 413 CB PRO A 25 -3.376 -1.023 13.285 1.00 0.85 C ATOM 414 CG PRO A 25 -2.552 -1.400 12.099 1.00 0.77 C ATOM 415 CD PRO A 25 -3.516 -1.835 11.022 1.00 0.57 C ATOM 0 HA PRO A 25 -5.546 -0.645 13.371 1.00 0.74 H new ATOM 0 HB2 PRO A 25 -2.889 -0.247 13.875 1.00 0.85 H new ATOM 0 HB3 PRO A 25 -3.531 -1.875 13.946 1.00 0.85 H new ATOM 0 HG2 PRO A 25 -1.950 -0.556 11.762 1.00 0.77 H new ATOM 0 HG3 PRO A 25 -1.861 -2.205 12.348 1.00 0.77 H new ATOM 0 HD2 PRO A 25 -3.243 -1.420 10.051 1.00 0.57 H new ATOM 0 HD3 PRO A 25 -3.530 -2.919 10.913 1.00 0.57 H new ATOM 423 N ARG A 26 -4.368 1.288 11.138 1.00 0.64 N ATOM 424 CA ARG A 26 -4.121 2.663 10.730 1.00 0.71 C ATOM 425 C ARG A 26 -5.166 3.158 9.729 1.00 0.59 C ATOM 426 O ARG A 26 -4.857 3.934 8.834 1.00 0.63 O ATOM 427 CB ARG A 26 -2.713 2.786 10.139 1.00 0.88 C ATOM 428 CG ARG A 26 -1.613 2.545 11.161 1.00 1.34 C ATOM 429 CD ARG A 26 -0.229 2.619 10.538 1.00 1.33 C ATOM 430 NE ARG A 26 -0.015 1.565 9.545 1.00 1.92 N ATOM 431 CZ ARG A 26 1.107 0.848 9.453 1.00 2.49 C ATOM 432 NH1 ARG A 26 2.086 1.023 10.332 1.00 2.67 N ATOM 433 NH2 ARG A 26 1.235 -0.064 8.497 1.00 3.43 N ATOM 0 H ARG A 26 -4.329 0.611 10.376 1.00 0.64 H new ATOM 0 HA ARG A 26 -4.198 3.293 11.616 1.00 0.71 H new ATOM 0 HB2 ARG A 26 -2.605 2.072 9.323 1.00 0.88 H new ATOM 0 HB3 ARG A 26 -2.591 3.781 9.711 1.00 0.88 H new ATOM 0 HG2 ARG A 26 -1.691 3.284 11.958 1.00 1.34 H new ATOM 0 HG3 ARG A 26 -1.752 1.566 11.619 1.00 1.34 H new ATOM 0 HD2 ARG A 26 -0.096 3.593 10.067 1.00 1.33 H new ATOM 0 HD3 ARG A 26 0.525 2.538 11.321 1.00 1.33 H new ATOM 0 HE ARG A 26 -0.767 1.367 8.885 1.00 1.92 H new ATOM 0 HH11 ARG A 26 1.982 1.707 11.081 1.00 2.67 H new ATOM 0 HH12 ARG A 26 2.942 0.473 10.258 1.00 2.67 H new ATOM 0 HH21 ARG A 26 0.476 -0.217 7.833 1.00 3.43 H new ATOM 0 HH22 ARG A 26 2.092 -0.612 8.426 1.00 3.43 H new ATOM 447 N GLY A 27 -6.401 2.700 9.874 1.00 0.54 N ATOM 448 CA GLY A 27 -7.490 3.221 9.060 1.00 0.56 C ATOM 449 C GLY A 27 -7.625 4.725 9.174 1.00 0.58 C ATOM 450 O GLY A 27 -7.934 5.415 8.195 1.00 0.56 O ATOM 0 H GLY A 27 -6.673 1.977 10.540 1.00 0.54 H new ATOM 0 HA2 GLY A 27 -7.322 2.952 8.017 1.00 0.56 H new ATOM 0 HA3 GLY A 27 -8.425 2.751 9.364 1.00 0.56 H new ATOM 454 N LEU A 28 -7.385 5.234 10.373 1.00 0.64 N ATOM 455 CA LEU A 28 -7.382 6.671 10.611 1.00 0.68 C ATOM 456 C LEU A 28 -6.339 7.351 9.730 1.00 0.58 C ATOM 457 O LEU A 28 -6.529 8.482 9.302 1.00 0.55 O ATOM 458 CB LEU A 28 -7.107 6.975 12.085 1.00 0.82 C ATOM 459 CG LEU A 28 -8.182 6.490 13.062 1.00 1.46 C ATOM 460 CD1 LEU A 28 -7.789 6.812 14.497 1.00 1.96 C ATOM 461 CD2 LEU A 28 -9.527 7.115 12.726 1.00 2.25 C ATOM 0 H LEU A 28 -7.189 4.671 11.200 1.00 0.64 H new ATOM 0 HA LEU A 28 -8.367 7.062 10.357 1.00 0.68 H new ATOM 0 HB2 LEU A 28 -6.156 6.521 12.362 1.00 0.82 H new ATOM 0 HB3 LEU A 28 -6.992 8.053 12.202 1.00 0.82 H new ATOM 0 HG LEU A 28 -8.269 5.408 12.965 1.00 1.46 H new ATOM 0 HD11 LEU A 28 -8.566 6.459 15.175 1.00 1.96 H new ATOM 0 HD12 LEU A 28 -6.847 6.318 14.736 1.00 1.96 H new ATOM 0 HD13 LEU A 28 -7.672 7.890 14.609 1.00 1.96 H new ATOM 0 HD21 LEU A 28 -10.279 6.760 13.430 1.00 2.25 H new ATOM 0 HD22 LEU A 28 -9.451 8.200 12.793 1.00 2.25 H new ATOM 0 HD23 LEU A 28 -9.816 6.834 11.713 1.00 2.25 H new ATOM 473 N THR A 29 -5.256 6.635 9.450 1.00 0.56 N ATOM 474 CA THR A 29 -4.202 7.117 8.566 1.00 0.52 C ATOM 475 C THR A 29 -4.755 7.461 7.186 1.00 0.42 C ATOM 476 O THR A 29 -4.443 8.515 6.641 1.00 0.41 O ATOM 477 CB THR A 29 -3.062 6.069 8.472 1.00 0.58 C ATOM 478 OG1 THR A 29 -2.045 6.357 9.440 1.00 0.92 O ATOM 479 CG2 THR A 29 -2.458 5.976 7.075 1.00 0.48 C ATOM 0 H THR A 29 -5.084 5.704 9.830 1.00 0.56 H new ATOM 0 HA THR A 29 -3.790 8.034 8.987 1.00 0.52 H new ATOM 0 HB THR A 29 -3.504 5.096 8.687 1.00 0.58 H new ATOM 0 HG1 THR A 29 -1.331 5.689 9.373 1.00 0.92 H new ATOM 0 HG21 THR A 29 -1.666 5.227 7.070 1.00 0.48 H new ATOM 0 HG22 THR A 29 -3.232 5.690 6.362 1.00 0.48 H new ATOM 0 HG23 THR A 29 -2.044 6.944 6.792 1.00 0.48 H new ATOM 487 N ALA A 30 -5.621 6.610 6.652 1.00 0.39 N ATOM 488 CA ALA A 30 -6.216 6.868 5.345 1.00 0.34 C ATOM 489 C ALA A 30 -7.072 8.126 5.411 1.00 0.32 C ATOM 490 O ALA A 30 -7.068 8.956 4.499 1.00 0.28 O ATOM 491 CB ALA A 30 -7.043 5.674 4.887 1.00 0.38 C ATOM 0 H ALA A 30 -5.925 5.744 7.097 1.00 0.39 H new ATOM 0 HA ALA A 30 -5.420 7.022 4.616 1.00 0.34 H new ATOM 0 HB1 ALA A 30 -7.478 5.886 3.910 1.00 0.38 H new ATOM 0 HB2 ALA A 30 -6.403 4.794 4.816 1.00 0.38 H new ATOM 0 HB3 ALA A 30 -7.840 5.486 5.606 1.00 0.38 H new ATOM 497 N LYS A 31 -7.769 8.271 6.530 1.00 0.38 N ATOM 498 CA LYS A 31 -8.628 9.420 6.765 1.00 0.41 C ATOM 499 C LYS A 31 -7.804 10.695 6.905 1.00 0.38 C ATOM 500 O LYS A 31 -8.179 11.750 6.399 1.00 0.39 O ATOM 501 CB LYS A 31 -9.432 9.204 8.039 1.00 0.49 C ATOM 502 CG LYS A 31 -10.508 10.250 8.267 1.00 1.16 C ATOM 503 CD LYS A 31 -11.337 9.935 9.498 1.00 1.63 C ATOM 504 CE LYS A 31 -12.465 10.937 9.676 1.00 2.36 C ATOM 505 NZ LYS A 31 -13.309 10.619 10.856 1.00 3.09 N ATOM 0 H LYS A 31 -7.754 7.598 7.296 1.00 0.38 H new ATOM 0 HA LYS A 31 -9.298 9.527 5.912 1.00 0.41 H new ATOM 0 HB2 LYS A 31 -9.897 8.219 8.002 1.00 0.49 H new ATOM 0 HB3 LYS A 31 -8.752 9.203 8.891 1.00 0.49 H new ATOM 0 HG2 LYS A 31 -10.046 11.231 8.379 1.00 1.16 H new ATOM 0 HG3 LYS A 31 -11.157 10.302 7.393 1.00 1.16 H new ATOM 0 HD2 LYS A 31 -11.751 8.930 9.413 1.00 1.63 H new ATOM 0 HD3 LYS A 31 -10.698 9.943 10.381 1.00 1.63 H new ATOM 0 HE2 LYS A 31 -12.047 11.938 9.788 1.00 2.36 H new ATOM 0 HE3 LYS A 31 -13.085 10.949 8.779 1.00 2.36 H new ATOM 0 HZ1 LYS A 31 -14.067 11.326 10.942 1.00 3.09 H new ATOM 0 HZ2 LYS A 31 -13.729 9.675 10.738 1.00 3.09 H new ATOM 0 HZ3 LYS A 31 -12.724 10.633 11.715 1.00 3.09 H new ATOM 519 N GLN A 32 -6.684 10.593 7.605 1.00 0.38 N ATOM 520 CA GLN A 32 -5.829 11.748 7.830 1.00 0.40 C ATOM 521 C GLN A 32 -5.234 12.226 6.524 1.00 0.32 C ATOM 522 O GLN A 32 -5.033 13.419 6.328 1.00 0.33 O ATOM 523 CB GLN A 32 -4.708 11.427 8.820 1.00 0.47 C ATOM 524 CG GLN A 32 -5.204 10.994 10.187 1.00 0.55 C ATOM 525 CD GLN A 32 -6.191 11.970 10.790 1.00 0.63 C ATOM 526 OE1 GLN A 32 -5.810 12.904 11.492 1.00 0.72 O ATOM 527 NE2 GLN A 32 -7.469 11.761 10.514 1.00 0.64 N ATOM 0 H GLN A 32 -6.347 9.727 8.025 1.00 0.38 H new ATOM 0 HA GLN A 32 -6.447 12.538 8.256 1.00 0.40 H new ATOM 0 HB2 GLN A 32 -4.083 10.637 8.403 1.00 0.47 H new ATOM 0 HB3 GLN A 32 -4.075 12.307 8.935 1.00 0.47 H new ATOM 0 HG2 GLN A 32 -5.674 10.014 10.104 1.00 0.55 H new ATOM 0 HG3 GLN A 32 -4.353 10.884 10.859 1.00 0.55 H new ATOM 0 HE21 GLN A 32 -7.742 10.973 9.927 1.00 0.64 H new ATOM 0 HE22 GLN A 32 -8.181 12.388 10.889 1.00 0.64 H new ATOM 536 N LEU A 33 -4.967 11.296 5.621 1.00 0.28 N ATOM 537 CA LEU A 33 -4.368 11.663 4.358 1.00 0.25 C ATOM 538 C LEU A 33 -5.353 12.463 3.533 1.00 0.21 C ATOM 539 O LEU A 33 -5.004 13.503 3.021 1.00 0.22 O ATOM 540 CB LEU A 33 -3.877 10.440 3.572 1.00 0.28 C ATOM 541 CG LEU A 33 -2.963 9.472 4.336 1.00 0.72 C ATOM 542 CD1 LEU A 33 -2.103 8.666 3.371 1.00 1.20 C ATOM 543 CD2 LEU A 33 -2.099 10.213 5.347 1.00 1.61 C ATOM 0 H LEU A 33 -5.153 10.300 5.739 1.00 0.28 H new ATOM 0 HA LEU A 33 -3.493 12.276 4.573 1.00 0.25 H new ATOM 0 HB2 LEU A 33 -4.747 9.886 3.220 1.00 0.28 H new ATOM 0 HB3 LEU A 33 -3.344 10.791 2.688 1.00 0.28 H new ATOM 0 HG LEU A 33 -3.597 8.777 4.888 1.00 0.72 H new ATOM 0 HD11 LEU A 33 -1.463 7.987 3.934 1.00 1.20 H new ATOM 0 HD12 LEU A 33 -2.746 8.091 2.705 1.00 1.20 H new ATOM 0 HD13 LEU A 33 -1.484 9.343 2.783 1.00 1.20 H new ATOM 0 HD21 LEU A 33 -1.462 9.501 5.873 1.00 1.61 H new ATOM 0 HD22 LEU A 33 -1.477 10.942 4.828 1.00 1.61 H new ATOM 0 HD23 LEU A 33 -2.738 10.727 6.065 1.00 1.61 H new ATOM 555 N GLU A 34 -6.602 12.039 3.467 1.00 0.21 N ATOM 556 CA GLU A 34 -7.573 12.767 2.657 1.00 0.25 C ATOM 557 C GLU A 34 -7.886 14.110 3.282 1.00 0.29 C ATOM 558 O GLU A 34 -8.110 15.101 2.584 1.00 0.33 O ATOM 559 CB GLU A 34 -8.846 11.953 2.435 1.00 0.31 C ATOM 560 CG GLU A 34 -9.408 11.309 3.687 1.00 0.38 C ATOM 561 CD GLU A 34 -10.588 10.410 3.390 1.00 0.54 C ATOM 562 OE1 GLU A 34 -11.734 10.905 3.396 1.00 0.87 O ATOM 563 OE2 GLU A 34 -10.379 9.198 3.162 1.00 0.63 O ATOM 0 H GLU A 34 -6.966 11.217 3.949 1.00 0.21 H new ATOM 0 HA GLU A 34 -7.127 12.940 1.678 1.00 0.25 H new ATOM 0 HB2 GLU A 34 -9.607 12.603 2.003 1.00 0.31 H new ATOM 0 HB3 GLU A 34 -8.640 11.173 1.702 1.00 0.31 H new ATOM 0 HG2 GLU A 34 -8.626 10.729 4.177 1.00 0.38 H new ATOM 0 HG3 GLU A 34 -9.714 12.087 4.387 1.00 0.38 H new ATOM 570 N ALA A 35 -7.883 14.139 4.601 1.00 0.30 N ATOM 571 CA ALA A 35 -8.087 15.374 5.331 1.00 0.36 C ATOM 572 C ALA A 35 -6.926 16.351 5.118 1.00 0.35 C ATOM 573 O ALA A 35 -7.137 17.544 4.920 1.00 0.42 O ATOM 574 CB ALA A 35 -8.273 15.089 6.816 1.00 0.40 C ATOM 0 H ALA A 35 -7.741 13.318 5.190 1.00 0.30 H new ATOM 0 HA ALA A 35 -8.992 15.842 4.944 1.00 0.36 H new ATOM 0 HB1 ALA A 35 -8.425 16.027 7.350 1.00 0.40 H new ATOM 0 HB2 ALA A 35 -9.142 14.446 6.957 1.00 0.40 H new ATOM 0 HB3 ALA A 35 -7.385 14.590 7.205 1.00 0.40 H new ATOM 580 N GLU A 36 -5.702 15.830 5.151 1.00 0.30 N ATOM 581 CA GLU A 36 -4.503 16.667 5.127 1.00 0.34 C ATOM 582 C GLU A 36 -3.948 16.888 3.719 1.00 0.31 C ATOM 583 O GLU A 36 -3.382 17.942 3.436 1.00 0.41 O ATOM 584 CB GLU A 36 -3.423 16.052 6.013 1.00 0.38 C ATOM 585 CG GLU A 36 -3.705 16.200 7.498 1.00 0.74 C ATOM 586 CD GLU A 36 -3.617 17.640 7.956 1.00 1.25 C ATOM 587 OE1 GLU A 36 -2.494 18.129 8.202 1.00 1.69 O ATOM 588 OE2 GLU A 36 -4.678 18.287 8.081 1.00 1.73 O ATOM 0 H GLU A 36 -5.513 14.829 5.195 1.00 0.30 H new ATOM 0 HA GLU A 36 -4.798 17.645 5.508 1.00 0.34 H new ATOM 0 HB2 GLU A 36 -3.326 14.993 5.773 1.00 0.38 H new ATOM 0 HB3 GLU A 36 -2.466 16.520 5.784 1.00 0.38 H new ATOM 0 HG2 GLU A 36 -4.699 15.811 7.718 1.00 0.74 H new ATOM 0 HG3 GLU A 36 -2.994 15.597 8.063 1.00 0.74 H new ATOM 595 N THR A 37 -4.077 15.898 2.848 1.00 0.24 N ATOM 596 CA THR A 37 -3.530 16.011 1.502 1.00 0.26 C ATOM 597 C THR A 37 -4.533 16.671 0.566 1.00 0.28 C ATOM 598 O THR A 37 -4.169 17.190 -0.488 1.00 0.35 O ATOM 599 CB THR A 37 -3.113 14.637 0.909 1.00 0.28 C ATOM 600 OG1 THR A 37 -4.265 13.828 0.665 1.00 0.25 O ATOM 601 CG2 THR A 37 -2.172 13.902 1.852 1.00 0.29 C ATOM 0 H THR A 37 -4.550 15.016 3.045 1.00 0.24 H new ATOM 0 HA THR A 37 -2.636 16.628 1.587 1.00 0.26 H new ATOM 0 HB THR A 37 -2.596 14.824 -0.032 1.00 0.28 H new ATOM 0 HG1 THR A 37 -4.917 13.962 1.384 1.00 0.25 H new ATOM 0 HG21 THR A 37 -1.894 12.943 1.415 1.00 0.29 H new ATOM 0 HG22 THR A 37 -1.276 14.501 2.012 1.00 0.29 H new ATOM 0 HG23 THR A 37 -2.671 13.735 2.806 1.00 0.29 H new ATOM 609 N GLY A 38 -5.798 16.658 0.970 1.00 0.28 N ATOM 610 CA GLY A 38 -6.871 17.075 0.086 1.00 0.35 C ATOM 611 C GLY A 38 -7.119 16.039 -0.982 1.00 0.35 C ATOM 612 O GLY A 38 -7.862 16.265 -1.940 1.00 0.44 O ATOM 0 H GLY A 38 -6.101 16.365 1.899 1.00 0.28 H new ATOM 0 HA2 GLY A 38 -7.782 17.234 0.663 1.00 0.35 H new ATOM 0 HA3 GLY A 38 -6.616 18.028 -0.378 1.00 0.35 H new ATOM 616 N CYS A 39 -6.482 14.898 -0.797 1.00 0.29 N ATOM 617 CA CYS A 39 -6.622 13.768 -1.677 1.00 0.26 C ATOM 618 C CYS A 39 -7.179 12.596 -0.924 1.00 0.35 C ATOM 619 O CYS A 39 -6.608 12.147 0.068 1.00 0.73 O ATOM 620 CB CYS A 39 -5.281 13.416 -2.293 1.00 0.37 C ATOM 621 SG CYS A 39 -5.271 11.847 -3.164 1.00 1.29 S ATOM 0 H CYS A 39 -5.845 14.734 -0.018 1.00 0.29 H new ATOM 0 HA CYS A 39 -7.313 14.026 -2.479 1.00 0.26 H new ATOM 0 HB2 CYS A 39 -4.991 14.207 -2.985 1.00 0.37 H new ATOM 0 HB3 CYS A 39 -4.527 13.389 -1.507 1.00 0.37 H new ATOM 0 HG CYS A 39 -5.365 10.874 -2.307 1.00 1.29 H new ATOM 627 N LYS A 40 -8.275 12.075 -1.421 1.00 0.28 N ATOM 628 CA LYS A 40 -8.969 11.031 -0.733 1.00 0.27 C ATOM 629 C LYS A 40 -8.340 9.730 -1.165 1.00 0.24 C ATOM 630 O LYS A 40 -8.690 9.164 -2.199 1.00 0.26 O ATOM 631 CB LYS A 40 -10.467 11.098 -1.073 1.00 0.35 C ATOM 632 CG LYS A 40 -11.396 10.310 -0.144 1.00 1.07 C ATOM 633 CD LYS A 40 -11.226 8.803 -0.286 1.00 1.36 C ATOM 634 CE LYS A 40 -12.350 8.036 0.401 1.00 1.62 C ATOM 635 NZ LYS A 40 -12.490 8.387 1.839 1.00 2.51 N ATOM 0 H LYS A 40 -8.701 12.363 -2.302 1.00 0.28 H new ATOM 0 HA LYS A 40 -8.890 11.128 0.350 1.00 0.27 H new ATOM 0 HB2 LYS A 40 -10.776 12.143 -1.064 1.00 0.35 H new ATOM 0 HB3 LYS A 40 -10.606 10.733 -2.091 1.00 0.35 H new ATOM 0 HG2 LYS A 40 -11.201 10.598 0.889 1.00 1.07 H new ATOM 0 HG3 LYS A 40 -12.431 10.577 -0.359 1.00 1.07 H new ATOM 0 HD2 LYS A 40 -11.200 8.539 -1.343 1.00 1.36 H new ATOM 0 HD3 LYS A 40 -10.269 8.504 0.141 1.00 1.36 H new ATOM 0 HE2 LYS A 40 -13.290 8.241 -0.112 1.00 1.62 H new ATOM 0 HE3 LYS A 40 -12.163 6.966 0.309 1.00 1.62 H new ATOM 0 HZ1 LYS A 40 -13.198 7.766 2.281 1.00 2.51 H new ATOM 0 HZ2 LYS A 40 -11.575 8.264 2.317 1.00 2.51 H new ATOM 0 HZ3 LYS A 40 -12.796 9.377 1.926 1.00 2.51 H new ATOM 649 N ILE A 41 -7.373 9.285 -0.393 1.00 0.22 N ATOM 650 CA ILE A 41 -6.705 8.048 -0.692 1.00 0.21 C ATOM 651 C ILE A 41 -7.573 6.879 -0.245 1.00 0.23 C ATOM 652 O ILE A 41 -7.756 6.615 0.945 1.00 0.29 O ATOM 653 CB ILE A 41 -5.300 7.984 -0.042 1.00 0.21 C ATOM 654 CG1 ILE A 41 -4.622 6.644 -0.345 1.00 0.23 C ATOM 655 CG2 ILE A 41 -5.379 8.219 1.465 1.00 0.25 C ATOM 656 CD1 ILE A 41 -3.215 6.540 0.205 1.00 0.25 C ATOM 0 H ILE A 41 -7.036 9.763 0.443 1.00 0.22 H new ATOM 0 HA ILE A 41 -6.555 7.987 -1.770 1.00 0.21 H new ATOM 0 HB ILE A 41 -4.695 8.781 -0.475 1.00 0.21 H new ATOM 0 HG12 ILE A 41 -5.226 5.838 0.071 1.00 0.23 H new ATOM 0 HG13 ILE A 41 -4.593 6.496 -1.425 1.00 0.23 H new ATOM 0 HG21 ILE A 41 -4.378 8.168 1.894 1.00 0.25 H new ATOM 0 HG22 ILE A 41 -5.807 9.203 1.658 1.00 0.25 H new ATOM 0 HG23 ILE A 41 -6.008 7.454 1.920 1.00 0.25 H new ATOM 0 HD11 ILE A 41 -2.797 5.565 -0.047 1.00 0.25 H new ATOM 0 HD12 ILE A 41 -2.595 7.324 -0.230 1.00 0.25 H new ATOM 0 HD13 ILE A 41 -3.238 6.655 1.289 1.00 0.25 H new ATOM 668 N MET A 42 -8.137 6.207 -1.223 1.00 0.20 N ATOM 669 CA MET A 42 -9.066 5.135 -0.985 1.00 0.21 C ATOM 670 C MET A 42 -8.411 3.826 -1.346 1.00 0.20 C ATOM 671 O MET A 42 -7.764 3.707 -2.392 1.00 0.21 O ATOM 672 CB MET A 42 -10.351 5.324 -1.801 1.00 0.26 C ATOM 673 CG MET A 42 -10.130 5.358 -3.308 1.00 0.29 C ATOM 674 SD MET A 42 -11.671 5.281 -4.250 1.00 0.45 S ATOM 675 CE MET A 42 -12.469 6.799 -3.725 1.00 1.43 C ATOM 0 H MET A 42 -7.960 6.393 -2.210 1.00 0.20 H new ATOM 0 HA MET A 42 -9.339 5.135 0.070 1.00 0.21 H new ATOM 0 HB2 MET A 42 -11.042 4.515 -1.564 1.00 0.26 H new ATOM 0 HB3 MET A 42 -10.831 6.253 -1.494 1.00 0.26 H new ATOM 0 HG2 MET A 42 -9.595 6.271 -3.571 1.00 0.29 H new ATOM 0 HG3 MET A 42 -9.493 4.521 -3.595 1.00 0.29 H new ATOM 0 HE1 MET A 42 -13.334 6.993 -4.359 1.00 1.43 H new ATOM 0 HE2 MET A 42 -12.793 6.700 -2.689 1.00 1.43 H new ATOM 0 HE3 MET A 42 -11.765 7.627 -3.807 1.00 1.43 H new ATOM 685 N VAL A 43 -8.553 2.845 -0.488 1.00 0.22 N ATOM 686 CA VAL A 43 -7.988 1.559 -0.765 1.00 0.25 C ATOM 687 C VAL A 43 -8.945 0.786 -1.648 1.00 0.27 C ATOM 688 O VAL A 43 -10.056 0.458 -1.244 1.00 0.41 O ATOM 689 CB VAL A 43 -7.693 0.766 0.514 1.00 0.32 C ATOM 690 CG1 VAL A 43 -6.647 -0.291 0.228 1.00 0.51 C ATOM 691 CG2 VAL A 43 -7.228 1.681 1.640 1.00 0.79 C ATOM 0 H VAL A 43 -9.052 2.917 0.399 1.00 0.22 H new ATOM 0 HA VAL A 43 -7.035 1.707 -1.273 1.00 0.25 H new ATOM 0 HB VAL A 43 -8.615 0.284 0.840 1.00 0.32 H new ATOM 0 HG11 VAL A 43 -6.439 -0.853 1.139 1.00 0.51 H new ATOM 0 HG12 VAL A 43 -7.016 -0.970 -0.541 1.00 0.51 H new ATOM 0 HG13 VAL A 43 -5.732 0.188 -0.120 1.00 0.51 H new ATOM 0 HG21 VAL A 43 -7.027 1.087 2.532 1.00 0.79 H new ATOM 0 HG22 VAL A 43 -6.318 2.198 1.336 1.00 0.79 H new ATOM 0 HG23 VAL A 43 -8.006 2.413 1.859 1.00 0.79 H new ATOM 701 N ARG A 44 -8.520 0.528 -2.864 1.00 0.29 N ATOM 702 CA ARG A 44 -9.356 -0.132 -3.839 1.00 0.31 C ATOM 703 C ARG A 44 -8.993 -1.590 -3.916 1.00 0.38 C ATOM 704 O ARG A 44 -7.945 -1.996 -3.429 1.00 0.71 O ATOM 705 CB ARG A 44 -9.207 0.516 -5.208 1.00 0.33 C ATOM 706 CG ARG A 44 -9.565 1.987 -5.221 1.00 0.37 C ATOM 707 CD ARG A 44 -9.773 2.500 -6.631 1.00 0.50 C ATOM 708 NE ARG A 44 -10.862 3.475 -6.696 1.00 0.56 N ATOM 709 CZ ARG A 44 -11.724 3.564 -7.712 1.00 0.72 C ATOM 710 NH1 ARG A 44 -11.719 2.648 -8.674 1.00 1.26 N ATOM 711 NH2 ARG A 44 -12.613 4.550 -7.739 1.00 1.10 N ATOM 0 H ARG A 44 -7.589 0.769 -3.203 1.00 0.29 H new ATOM 0 HA ARG A 44 -10.396 -0.034 -3.527 1.00 0.31 H new ATOM 0 HB2 ARG A 44 -8.178 0.397 -5.547 1.00 0.33 H new ATOM 0 HB3 ARG A 44 -9.841 -0.011 -5.922 1.00 0.33 H new ATOM 0 HG2 ARG A 44 -10.472 2.146 -4.638 1.00 0.37 H new ATOM 0 HG3 ARG A 44 -8.772 2.559 -4.739 1.00 0.37 H new ATOM 0 HD2 ARG A 44 -8.852 2.958 -6.991 1.00 0.50 H new ATOM 0 HD3 ARG A 44 -9.993 1.663 -7.294 1.00 0.50 H new ATOM 0 HE ARG A 44 -10.969 4.126 -5.918 1.00 0.56 H new ATOM 0 HH11 ARG A 44 -11.056 1.874 -8.638 1.00 1.26 H new ATOM 0 HH12 ARG A 44 -12.379 2.719 -9.449 1.00 1.26 H new ATOM 0 HH21 ARG A 44 -12.636 5.237 -6.985 1.00 1.10 H new ATOM 0 HH22 ARG A 44 -13.273 4.621 -8.514 1.00 1.10 H new ATOM 725 N GLY A 45 -9.845 -2.370 -4.538 1.00 0.26 N ATOM 726 CA GLY A 45 -9.642 -3.787 -4.549 1.00 0.29 C ATOM 727 C GLY A 45 -10.490 -4.460 -3.503 1.00 0.29 C ATOM 728 O GLY A 45 -11.384 -3.843 -2.919 1.00 0.33 O ATOM 0 H GLY A 45 -10.674 -2.046 -5.036 1.00 0.26 H new ATOM 0 HA2 GLY A 45 -9.887 -4.186 -5.533 1.00 0.29 H new ATOM 0 HA3 GLY A 45 -8.590 -4.009 -4.368 1.00 0.29 H new ATOM 732 N LYS A 46 -10.206 -5.719 -3.265 1.00 0.39 N ATOM 733 CA LYS A 46 -10.977 -6.516 -2.335 1.00 0.50 C ATOM 734 C LYS A 46 -10.587 -6.221 -0.897 1.00 0.50 C ATOM 735 O LYS A 46 -9.465 -6.511 -0.479 1.00 0.62 O ATOM 736 CB LYS A 46 -10.760 -7.988 -2.645 1.00 0.74 C ATOM 737 CG LYS A 46 -11.168 -8.349 -4.057 1.00 0.90 C ATOM 738 CD LYS A 46 -10.421 -9.571 -4.546 1.00 0.94 C ATOM 739 CE LYS A 46 -8.989 -9.209 -4.885 1.00 0.72 C ATOM 740 NZ LYS A 46 -8.848 -8.732 -6.291 1.00 1.45 N ATOM 0 H LYS A 46 -9.436 -6.220 -3.708 1.00 0.39 H new ATOM 0 HA LYS A 46 -12.031 -6.263 -2.448 1.00 0.50 H new ATOM 0 HB2 LYS A 46 -9.708 -8.235 -2.500 1.00 0.74 H new ATOM 0 HB3 LYS A 46 -11.330 -8.592 -1.940 1.00 0.74 H new ATOM 0 HG2 LYS A 46 -12.241 -8.537 -4.092 1.00 0.90 H new ATOM 0 HG3 LYS A 46 -10.970 -7.508 -4.722 1.00 0.90 H new ATOM 0 HD2 LYS A 46 -10.436 -10.346 -3.780 1.00 0.94 H new ATOM 0 HD3 LYS A 46 -10.918 -9.982 -5.425 1.00 0.94 H new ATOM 0 HE2 LYS A 46 -8.641 -8.433 -4.203 1.00 0.72 H new ATOM 0 HE3 LYS A 46 -8.350 -10.079 -4.732 1.00 0.72 H new ATOM 0 HZ1 LYS A 46 -7.859 -8.464 -6.469 1.00 1.45 H new ATOM 0 HZ2 LYS A 46 -9.123 -9.492 -6.945 1.00 1.45 H new ATOM 0 HZ3 LYS A 46 -9.463 -7.907 -6.441 1.00 1.45 H new ATOM 754 N GLY A 47 -11.506 -5.629 -0.142 1.00 0.57 N ATOM 755 CA GLY A 47 -11.291 -5.512 1.285 1.00 0.68 C ATOM 756 C GLY A 47 -11.279 -4.088 1.780 1.00 0.51 C ATOM 757 O GLY A 47 -10.807 -3.816 2.875 1.00 0.60 O ATOM 0 H GLY A 47 -12.381 -5.235 -0.486 1.00 0.57 H new ATOM 0 HA2 GLY A 47 -12.073 -6.063 1.808 1.00 0.68 H new ATOM 0 HA3 GLY A 47 -10.343 -5.985 1.541 1.00 0.68 H new ATOM 761 N SER A 48 -11.833 -3.184 0.996 1.00 0.54 N ATOM 762 CA SER A 48 -11.827 -1.776 1.349 1.00 0.72 C ATOM 763 C SER A 48 -12.688 -1.498 2.592 1.00 1.02 C ATOM 764 O SER A 48 -12.185 -1.053 3.619 1.00 1.43 O ATOM 765 CB SER A 48 -12.352 -0.976 0.157 1.00 0.82 C ATOM 766 OG SER A 48 -12.358 0.417 0.407 1.00 1.31 O ATOM 0 H SER A 48 -12.293 -3.398 0.111 1.00 0.54 H new ATOM 0 HA SER A 48 -10.807 -1.477 1.590 1.00 0.72 H new ATOM 0 HB2 SER A 48 -11.735 -1.184 -0.717 1.00 0.82 H new ATOM 0 HB3 SER A 48 -13.364 -1.305 -0.081 1.00 0.82 H new ATOM 0 HG SER A 48 -12.488 0.900 -0.436 1.00 1.31 H new ATOM 772 N MET A 49 -13.981 -1.767 2.484 1.00 1.18 N ATOM 773 CA MET A 49 -14.930 -1.484 3.557 1.00 1.58 C ATOM 774 C MET A 49 -15.751 -2.708 3.931 1.00 1.30 C ATOM 775 O MET A 49 -16.941 -2.571 4.188 1.00 1.70 O ATOM 776 CB MET A 49 -15.840 -0.315 3.192 1.00 2.49 C ATOM 777 CG MET A 49 -15.202 1.045 3.434 1.00 3.25 C ATOM 778 SD MET A 49 -14.866 1.353 5.179 1.00 4.35 S ATOM 779 CE MET A 49 -14.108 2.975 5.094 1.00 5.15 C ATOM 0 H MET A 49 -14.403 -2.186 1.655 1.00 1.18 H new ATOM 0 HA MET A 49 -14.345 -1.204 4.433 1.00 1.58 H new ATOM 0 HB2 MET A 49 -16.119 -0.396 2.141 1.00 2.49 H new ATOM 0 HB3 MET A 49 -16.760 -0.385 3.772 1.00 2.49 H new ATOM 0 HG2 MET A 49 -14.271 1.111 2.871 1.00 3.25 H new ATOM 0 HG3 MET A 49 -15.861 1.825 3.052 1.00 3.25 H new ATOM 0 HE1 MET A 49 -13.842 3.305 6.098 1.00 5.15 H new ATOM 0 HE2 MET A 49 -13.210 2.925 4.479 1.00 5.15 H new ATOM 0 HE3 MET A 49 -14.811 3.682 4.653 1.00 5.15 H new ATOM 789 N ARG A 50 -15.118 -3.890 3.904 1.00 0.89 N ATOM 790 CA ARG A 50 -15.782 -5.212 4.082 1.00 1.28 C ATOM 791 C ARG A 50 -16.576 -5.380 5.400 1.00 1.22 C ATOM 792 O ARG A 50 -16.730 -6.497 5.896 1.00 1.55 O ATOM 793 CB ARG A 50 -14.730 -6.320 3.978 1.00 1.65 C ATOM 794 CG ARG A 50 -14.183 -6.506 2.574 1.00 2.14 C ATOM 795 CD ARG A 50 -15.084 -7.389 1.723 1.00 2.26 C ATOM 796 NE ARG A 50 -14.856 -8.812 1.981 1.00 3.05 N ATOM 797 CZ ARG A 50 -15.813 -9.695 2.270 1.00 3.84 C ATOM 798 NH1 ARG A 50 -17.063 -9.300 2.472 1.00 4.04 N ATOM 799 NH2 ARG A 50 -15.502 -10.980 2.394 1.00 4.74 N ATOM 0 H ARG A 50 -14.112 -3.967 3.756 1.00 0.89 H new ATOM 0 HA ARG A 50 -16.524 -5.278 3.286 1.00 1.28 H new ATOM 0 HB2 ARG A 50 -13.905 -6.092 4.653 1.00 1.65 H new ATOM 0 HB3 ARG A 50 -15.168 -7.259 4.316 1.00 1.65 H new ATOM 0 HG2 ARG A 50 -14.073 -5.533 2.096 1.00 2.14 H new ATOM 0 HG3 ARG A 50 -13.188 -6.949 2.628 1.00 2.14 H new ATOM 0 HD2 ARG A 50 -16.127 -7.146 1.926 1.00 2.26 H new ATOM 0 HD3 ARG A 50 -14.907 -7.178 0.668 1.00 2.26 H new ATOM 0 HE ARG A 50 -13.896 -9.153 1.937 1.00 3.05 H new ATOM 0 HH11 ARG A 50 -17.302 -8.311 2.407 1.00 4.04 H new ATOM 0 HH12 ARG A 50 -17.785 -9.986 2.692 1.00 4.04 H new ATOM 0 HH21 ARG A 50 -14.537 -11.286 2.268 1.00 4.74 H new ATOM 0 HH22 ARG A 50 -16.228 -11.661 2.615 1.00 4.74 H new ATOM 813 N ASP A 51 -17.075 -4.287 5.952 1.00 0.99 N ATOM 814 CA ASP A 51 -17.935 -4.312 7.125 1.00 1.15 C ATOM 815 C ASP A 51 -19.264 -4.953 6.745 1.00 1.27 C ATOM 816 O ASP A 51 -19.854 -4.592 5.725 1.00 1.24 O ATOM 817 CB ASP A 51 -18.155 -2.876 7.615 1.00 1.25 C ATOM 818 CG ASP A 51 -18.947 -2.775 8.906 1.00 1.85 C ATOM 819 OD1 ASP A 51 -20.030 -3.380 9.009 1.00 2.67 O ATOM 820 OD2 ASP A 51 -18.503 -2.050 9.816 1.00 1.97 O ATOM 0 H ASP A 51 -16.893 -3.349 5.596 1.00 0.99 H new ATOM 0 HA ASP A 51 -17.474 -4.891 7.925 1.00 1.15 H new ATOM 0 HB2 ASP A 51 -17.185 -2.400 7.759 1.00 1.25 H new ATOM 0 HB3 ASP A 51 -18.674 -2.314 6.838 1.00 1.25 H new ATOM 825 N LYS A 52 -19.738 -5.877 7.574 1.00 1.46 N ATOM 826 CA LYS A 52 -20.909 -6.687 7.246 1.00 1.63 C ATOM 827 C LYS A 52 -22.124 -5.833 6.891 1.00 1.60 C ATOM 828 O LYS A 52 -22.817 -6.097 5.905 1.00 1.65 O ATOM 829 CB LYS A 52 -21.265 -7.600 8.419 1.00 1.89 C ATOM 830 CG LYS A 52 -20.164 -8.568 8.810 1.00 2.13 C ATOM 831 CD LYS A 52 -20.609 -9.469 9.949 1.00 2.73 C ATOM 832 CE LYS A 52 -19.541 -10.480 10.324 1.00 3.39 C ATOM 833 NZ LYS A 52 -20.015 -11.408 11.383 1.00 4.02 N ATOM 0 H LYS A 52 -19.327 -6.085 8.484 1.00 1.46 H new ATOM 0 HA LYS A 52 -20.647 -7.282 6.371 1.00 1.63 H new ATOM 0 HB2 LYS A 52 -21.515 -6.983 9.282 1.00 1.89 H new ATOM 0 HB3 LYS A 52 -22.159 -8.168 8.164 1.00 1.89 H new ATOM 0 HG2 LYS A 52 -19.886 -9.175 7.949 1.00 2.13 H new ATOM 0 HG3 LYS A 52 -19.275 -8.012 9.108 1.00 2.13 H new ATOM 0 HD2 LYS A 52 -20.853 -8.860 10.819 1.00 2.73 H new ATOM 0 HD3 LYS A 52 -21.520 -9.994 9.662 1.00 2.73 H new ATOM 0 HE2 LYS A 52 -19.253 -11.051 9.441 1.00 3.39 H new ATOM 0 HE3 LYS A 52 -18.649 -9.957 10.670 1.00 3.39 H new ATOM 0 HZ1 LYS A 52 -19.260 -12.085 11.615 1.00 4.02 H new ATOM 0 HZ2 LYS A 52 -20.266 -10.865 12.234 1.00 4.02 H new ATOM 0 HZ3 LYS A 52 -20.851 -11.925 11.043 1.00 4.02 H new ATOM 847 N LYS A 53 -22.370 -4.794 7.672 1.00 1.58 N ATOM 848 CA LYS A 53 -23.538 -3.959 7.452 1.00 1.61 C ATOM 849 C LYS A 53 -23.355 -3.104 6.208 1.00 1.43 C ATOM 850 O LYS A 53 -24.315 -2.818 5.495 1.00 1.45 O ATOM 851 CB LYS A 53 -23.830 -3.074 8.666 1.00 1.70 C ATOM 852 CG LYS A 53 -22.698 -2.135 9.034 1.00 1.61 C ATOM 853 CD LYS A 53 -23.059 -1.265 10.219 1.00 1.81 C ATOM 854 CE LYS A 53 -21.852 -0.500 10.732 1.00 2.29 C ATOM 855 NZ LYS A 53 -20.814 -1.409 11.288 1.00 2.51 N ATOM 0 H LYS A 53 -21.783 -4.511 8.456 1.00 1.58 H new ATOM 0 HA LYS A 53 -24.393 -4.618 7.304 1.00 1.61 H new ATOM 0 HB2 LYS A 53 -24.725 -2.486 8.466 1.00 1.70 H new ATOM 0 HB3 LYS A 53 -24.052 -3.711 9.522 1.00 1.70 H new ATOM 0 HG2 LYS A 53 -21.805 -2.715 9.266 1.00 1.61 H new ATOM 0 HG3 LYS A 53 -22.455 -1.504 8.179 1.00 1.61 H new ATOM 0 HD2 LYS A 53 -23.842 -0.563 9.932 1.00 1.81 H new ATOM 0 HD3 LYS A 53 -23.465 -1.886 11.018 1.00 1.81 H new ATOM 0 HE2 LYS A 53 -21.423 0.088 9.920 1.00 2.29 H new ATOM 0 HE3 LYS A 53 -22.169 0.204 11.502 1.00 2.29 H new ATOM 0 HZ1 LYS A 53 -20.565 -1.104 12.251 1.00 2.51 H new ATOM 0 HZ2 LYS A 53 -21.183 -2.381 11.317 1.00 2.51 H new ATOM 0 HZ3 LYS A 53 -19.967 -1.379 10.685 1.00 2.51 H new ATOM 869 N LYS A 54 -22.116 -2.725 5.931 1.00 1.31 N ATOM 870 CA LYS A 54 -21.817 -1.867 4.797 1.00 1.17 C ATOM 871 C LYS A 54 -22.206 -2.563 3.505 1.00 1.19 C ATOM 872 O LYS A 54 -22.958 -2.033 2.698 1.00 1.21 O ATOM 873 CB LYS A 54 -20.335 -1.518 4.783 1.00 1.09 C ATOM 874 CG LYS A 54 -19.991 -0.317 3.924 1.00 1.22 C ATOM 875 CD LYS A 54 -18.922 0.526 4.592 1.00 1.37 C ATOM 876 CE LYS A 54 -19.495 1.342 5.741 1.00 1.53 C ATOM 877 NZ LYS A 54 -18.438 2.074 6.487 1.00 2.16 N ATOM 0 H LYS A 54 -21.300 -3.000 6.478 1.00 1.31 H new ATOM 0 HA LYS A 54 -22.392 -0.945 4.887 1.00 1.17 H new ATOM 0 HB2 LYS A 54 -20.008 -1.326 5.805 1.00 1.09 H new ATOM 0 HB3 LYS A 54 -19.773 -2.380 4.425 1.00 1.09 H new ATOM 0 HG2 LYS A 54 -19.642 -0.650 2.947 1.00 1.22 H new ATOM 0 HG3 LYS A 54 -20.884 0.285 3.755 1.00 1.22 H new ATOM 0 HD2 LYS A 54 -18.127 -0.120 4.964 1.00 1.37 H new ATOM 0 HD3 LYS A 54 -18.472 1.195 3.858 1.00 1.37 H new ATOM 0 HE2 LYS A 54 -20.223 2.054 5.352 1.00 1.53 H new ATOM 0 HE3 LYS A 54 -20.029 0.681 6.424 1.00 1.53 H new ATOM 0 HZ1 LYS A 54 -18.872 2.617 7.261 1.00 2.16 H new ATOM 0 HZ2 LYS A 54 -17.757 1.394 6.881 1.00 2.16 H new ATOM 0 HZ3 LYS A 54 -17.945 2.724 5.842 1.00 2.16 H new ATOM 891 N GLU A 55 -21.714 -3.767 3.343 1.00 1.26 N ATOM 892 CA GLU A 55 -22.029 -4.566 2.162 1.00 1.33 C ATOM 893 C GLU A 55 -23.502 -4.959 2.118 1.00 1.46 C ATOM 894 O GLU A 55 -24.024 -5.304 1.060 1.00 1.53 O ATOM 895 CB GLU A 55 -21.122 -5.796 2.060 1.00 1.44 C ATOM 896 CG GLU A 55 -20.745 -6.411 3.392 1.00 1.58 C ATOM 897 CD GLU A 55 -19.677 -7.472 3.250 1.00 1.79 C ATOM 898 OE1 GLU A 55 -18.487 -7.119 3.113 1.00 2.05 O ATOM 899 OE2 GLU A 55 -20.024 -8.673 3.265 1.00 1.96 O ATOM 0 H GLU A 55 -21.092 -4.224 4.010 1.00 1.26 H new ATOM 0 HA GLU A 55 -21.836 -3.939 1.291 1.00 1.33 H new ATOM 0 HB2 GLU A 55 -21.622 -6.551 1.454 1.00 1.44 H new ATOM 0 HB3 GLU A 55 -20.210 -5.517 1.532 1.00 1.44 H new ATOM 0 HG2 GLU A 55 -20.391 -5.629 4.064 1.00 1.58 H new ATOM 0 HG3 GLU A 55 -21.631 -6.849 3.852 1.00 1.58 H new ATOM 906 N GLU A 56 -24.164 -4.931 3.262 1.00 1.51 N ATOM 907 CA GLU A 56 -25.605 -5.145 3.299 1.00 1.64 C ATOM 908 C GLU A 56 -26.377 -3.914 2.812 1.00 1.57 C ATOM 909 O GLU A 56 -27.091 -3.984 1.816 1.00 1.62 O ATOM 910 CB GLU A 56 -26.067 -5.524 4.706 1.00 1.78 C ATOM 911 CG GLU A 56 -25.749 -6.961 5.076 1.00 1.87 C ATOM 912 CD GLU A 56 -26.407 -7.954 4.141 1.00 2.05 C ATOM 913 OE1 GLU A 56 -27.566 -8.339 4.399 1.00 2.33 O ATOM 914 OE2 GLU A 56 -25.775 -8.341 3.138 1.00 2.40 O ATOM 0 H GLU A 56 -23.734 -4.764 4.172 1.00 1.51 H new ATOM 0 HA GLU A 56 -25.820 -5.970 2.620 1.00 1.64 H new ATOM 0 HB2 GLU A 56 -25.595 -4.857 5.428 1.00 1.78 H new ATOM 0 HB3 GLU A 56 -27.143 -5.366 4.782 1.00 1.78 H new ATOM 0 HG2 GLU A 56 -24.669 -7.108 5.057 1.00 1.87 H new ATOM 0 HG3 GLU A 56 -26.079 -7.153 6.097 1.00 1.87 H new ATOM 921 N GLN A 57 -26.223 -2.787 3.505 1.00 1.48 N ATOM 922 CA GLN A 57 -27.070 -1.624 3.246 1.00 1.47 C ATOM 923 C GLN A 57 -26.370 -0.498 2.477 1.00 1.36 C ATOM 924 O GLN A 57 -27.030 0.364 1.904 1.00 1.40 O ATOM 925 CB GLN A 57 -27.707 -1.119 4.551 1.00 1.55 C ATOM 926 CG GLN A 57 -26.789 -1.026 5.772 1.00 1.59 C ATOM 927 CD GLN A 57 -25.805 0.127 5.726 1.00 1.75 C ATOM 928 OE1 GLN A 57 -24.564 -0.160 5.370 1.00 2.37 O flip ATOM 929 NE2 GLN A 57 -26.138 1.256 6.085 1.00 1.85 N flip ATOM 0 H GLN A 57 -25.529 -2.655 4.241 1.00 1.48 H new ATOM 0 HA GLN A 57 -27.862 -1.965 2.579 1.00 1.47 H new ATOM 0 HB2 GLN A 57 -28.127 -0.130 4.365 1.00 1.55 H new ATOM 0 HB3 GLN A 57 -28.539 -1.777 4.800 1.00 1.55 H new ATOM 0 HG2 GLN A 57 -27.403 -0.929 6.667 1.00 1.59 H new ATOM 0 HG3 GLN A 57 -26.233 -1.959 5.866 1.00 1.59 H new ATOM 0 HE21 GLN A 57 -27.105 1.442 6.353 1.00 1.85 H new ATOM 0 HE22 GLN A 57 -25.447 2.006 6.115 1.00 1.85 H new ATOM 938 N ASN A 58 -25.050 -0.509 2.444 1.00 1.27 N ATOM 939 CA ASN A 58 -24.294 0.472 1.655 1.00 1.21 C ATOM 940 C ASN A 58 -23.616 -0.223 0.485 1.00 1.16 C ATOM 941 O ASN A 58 -22.668 0.292 -0.106 1.00 1.13 O ATOM 942 CB ASN A 58 -23.247 1.202 2.502 1.00 1.21 C ATOM 943 CG ASN A 58 -23.860 2.126 3.535 1.00 1.55 C ATOM 944 OD1 ASN A 58 -25.044 2.647 3.248 1.00 2.20 O flip ATOM 945 ND2 ASN A 58 -23.272 2.357 4.595 1.00 1.95 N flip ATOM 0 H ASN A 58 -24.472 -1.180 2.950 1.00 1.27 H new ATOM 0 HA ASN A 58 -25.000 1.217 1.287 1.00 1.21 H new ATOM 0 HB2 ASN A 58 -22.620 0.467 3.007 1.00 1.21 H new ATOM 0 HB3 ASN A 58 -22.596 1.780 1.846 1.00 1.21 H new ATOM 0 HD21 ASN A 58 -22.361 1.935 4.776 1.00 1.95 H new ATOM 0 HD22 ASN A 58 -23.697 2.970 5.291 1.00 1.95 H new ATOM 952 N ARG A 59 -24.088 -1.426 0.211 1.00 1.20 N ATOM 953 CA ARG A 59 -23.693 -2.194 -0.965 1.00 1.22 C ATOM 954 C ARG A 59 -23.703 -1.339 -2.233 1.00 1.19 C ATOM 955 O ARG A 59 -24.514 -0.421 -2.377 1.00 1.24 O ATOM 956 CB ARG A 59 -24.644 -3.376 -1.151 1.00 1.36 C ATOM 957 CG ARG A 59 -26.095 -2.971 -1.370 1.00 1.47 C ATOM 958 CD ARG A 59 -26.991 -4.188 -1.503 1.00 1.69 C ATOM 959 NE ARG A 59 -28.379 -3.830 -1.797 1.00 2.08 N ATOM 960 CZ ARG A 59 -29.423 -4.603 -1.496 1.00 2.67 C ATOM 961 NH1 ARG A 59 -29.237 -5.759 -0.869 1.00 2.95 N ATOM 962 NH2 ARG A 59 -30.651 -4.223 -1.828 1.00 3.45 N ATOM 0 H ARG A 59 -24.765 -1.906 0.804 1.00 1.20 H new ATOM 0 HA ARG A 59 -22.675 -2.547 -0.801 1.00 1.22 H new ATOM 0 HB2 ARG A 59 -24.310 -3.968 -2.003 1.00 1.36 H new ATOM 0 HB3 ARG A 59 -24.585 -4.019 -0.273 1.00 1.36 H new ATOM 0 HG2 ARG A 59 -26.434 -2.357 -0.536 1.00 1.47 H new ATOM 0 HG3 ARG A 59 -26.173 -2.359 -2.269 1.00 1.47 H new ATOM 0 HD2 ARG A 59 -26.609 -4.832 -2.295 1.00 1.69 H new ATOM 0 HD3 ARG A 59 -26.955 -4.765 -0.579 1.00 1.69 H new ATOM 0 HE ARG A 59 -28.558 -2.938 -2.259 1.00 2.08 H new ATOM 0 HH11 ARG A 59 -28.294 -6.057 -0.617 1.00 2.95 H new ATOM 0 HH12 ARG A 59 -30.037 -6.349 -0.639 1.00 2.95 H new ATOM 0 HH21 ARG A 59 -30.797 -3.338 -2.314 1.00 3.45 H new ATOM 0 HH22 ARG A 59 -31.448 -4.816 -1.597 1.00 3.45 H new ATOM 976 N GLY A 60 -22.795 -1.647 -3.148 1.00 1.15 N ATOM 977 CA GLY A 60 -22.737 -0.940 -4.416 1.00 1.15 C ATOM 978 C GLY A 60 -21.886 0.315 -4.361 1.00 1.07 C ATOM 979 O GLY A 60 -21.414 0.794 -5.396 1.00 1.09 O ATOM 0 H GLY A 60 -22.093 -2.378 -3.036 1.00 1.15 H new ATOM 0 HA2 GLY A 60 -22.339 -1.608 -5.180 1.00 1.15 H new ATOM 0 HA3 GLY A 60 -23.748 -0.673 -4.722 1.00 1.15 H new ATOM 983 N LYS A 61 -21.681 0.847 -3.161 1.00 1.00 N ATOM 984 CA LYS A 61 -20.899 2.071 -2.992 1.00 0.95 C ATOM 985 C LYS A 61 -19.422 1.829 -3.307 1.00 0.80 C ATOM 986 O LYS A 61 -18.992 0.686 -3.356 1.00 0.77 O ATOM 987 CB LYS A 61 -21.064 2.635 -1.574 1.00 1.04 C ATOM 988 CG LYS A 61 -22.290 3.525 -1.408 1.00 1.55 C ATOM 989 CD LYS A 61 -23.588 2.747 -1.538 1.00 2.06 C ATOM 990 CE LYS A 61 -24.789 3.670 -1.627 1.00 2.55 C ATOM 991 NZ LYS A 61 -24.839 4.378 -2.932 1.00 3.16 N ATOM 0 H LYS A 61 -22.043 0.453 -2.293 1.00 1.00 H new ATOM 0 HA LYS A 61 -21.279 2.808 -3.699 1.00 0.95 H new ATOM 0 HB2 LYS A 61 -21.129 1.807 -0.868 1.00 1.04 H new ATOM 0 HB3 LYS A 61 -20.173 3.206 -1.314 1.00 1.04 H new ATOM 0 HG2 LYS A 61 -22.255 4.009 -0.432 1.00 1.55 H new ATOM 0 HG3 LYS A 61 -22.266 4.316 -2.158 1.00 1.55 H new ATOM 0 HD2 LYS A 61 -23.547 2.117 -2.426 1.00 2.06 H new ATOM 0 HD3 LYS A 61 -23.702 2.083 -0.681 1.00 2.06 H new ATOM 0 HE2 LYS A 61 -25.703 3.093 -1.490 1.00 2.55 H new ATOM 0 HE3 LYS A 61 -24.749 4.399 -0.818 1.00 2.55 H new ATOM 0 HZ1 LYS A 61 -25.771 4.824 -3.050 1.00 3.16 H new ATOM 0 HZ2 LYS A 61 -24.100 5.109 -2.959 1.00 3.16 H new ATOM 0 HZ3 LYS A 61 -24.681 3.698 -3.702 1.00 3.16 H new ATOM 1005 N PRO A 62 -18.650 2.917 -3.559 1.00 0.77 N ATOM 1006 CA PRO A 62 -17.218 2.902 -3.905 1.00 0.66 C ATOM 1007 C PRO A 62 -16.386 1.740 -3.370 1.00 0.58 C ATOM 1008 O PRO A 62 -15.511 1.234 -4.061 1.00 0.51 O ATOM 1009 CB PRO A 62 -16.768 4.182 -3.230 1.00 0.70 C ATOM 1010 CG PRO A 62 -17.873 5.139 -3.515 1.00 0.81 C ATOM 1011 CD PRO A 62 -19.139 4.309 -3.594 1.00 0.85 C ATOM 0 HA PRO A 62 -17.082 2.804 -4.982 1.00 0.66 H new ATOM 0 HB2 PRO A 62 -16.627 4.041 -2.158 1.00 0.70 H new ATOM 0 HB3 PRO A 62 -15.819 4.535 -3.633 1.00 0.70 H new ATOM 0 HG2 PRO A 62 -17.949 5.891 -2.730 1.00 0.81 H new ATOM 0 HG3 PRO A 62 -17.697 5.671 -4.450 1.00 0.81 H new ATOM 0 HD2 PRO A 62 -19.808 4.519 -2.759 1.00 0.85 H new ATOM 0 HD3 PRO A 62 -19.696 4.515 -4.508 1.00 0.85 H new ATOM 1019 N ASN A 63 -16.690 1.295 -2.175 1.00 0.64 N ATOM 1020 CA ASN A 63 -15.937 0.229 -1.524 1.00 0.63 C ATOM 1021 C ASN A 63 -16.184 -1.081 -2.232 1.00 0.56 C ATOM 1022 O ASN A 63 -15.283 -1.896 -2.390 1.00 0.51 O ATOM 1023 CB ASN A 63 -16.365 0.131 -0.069 1.00 0.79 C ATOM 1024 CG ASN A 63 -17.083 1.381 0.405 1.00 1.09 C ATOM 1025 OD1 ASN A 63 -16.461 2.327 0.879 1.00 1.93 O ATOM 1026 ND2 ASN A 63 -18.402 1.393 0.272 1.00 1.06 N ATOM 0 H ASN A 63 -17.465 1.656 -1.619 1.00 0.64 H new ATOM 0 HA ASN A 63 -14.871 0.452 -1.571 1.00 0.63 H new ATOM 0 HB2 ASN A 63 -17.019 -0.731 0.058 1.00 0.79 H new ATOM 0 HB3 ASN A 63 -15.488 -0.040 0.555 1.00 0.79 H new ATOM 0 HD21 ASN A 63 -18.937 2.209 0.569 1.00 1.06 H new ATOM 0 HD22 ASN A 63 -18.882 0.586 -0.127 1.00 1.06 H new ATOM 1033 N TRP A 64 -17.411 -1.249 -2.668 1.00 0.61 N ATOM 1034 CA TRP A 64 -17.833 -2.413 -3.406 1.00 0.62 C ATOM 1035 C TRP A 64 -17.651 -2.141 -4.876 1.00 0.60 C ATOM 1036 O TRP A 64 -17.517 -3.052 -5.678 1.00 0.66 O ATOM 1037 CB TRP A 64 -19.282 -2.708 -3.081 1.00 0.78 C ATOM 1038 CG TRP A 64 -19.540 -2.497 -1.627 1.00 0.88 C ATOM 1039 CD1 TRP A 64 -20.344 -1.559 -1.059 1.00 1.00 C ATOM 1040 CD2 TRP A 64 -18.923 -3.204 -0.552 1.00 0.93 C ATOM 1041 NE1 TRP A 64 -20.280 -1.648 0.306 1.00 1.09 N ATOM 1042 CE2 TRP A 64 -19.412 -2.654 0.642 1.00 1.05 C ATOM 1043 CE3 TRP A 64 -18.008 -4.256 -0.489 1.00 0.96 C ATOM 1044 CZ2 TRP A 64 -19.013 -3.119 1.886 1.00 1.16 C ATOM 1045 CZ3 TRP A 64 -17.615 -4.718 0.748 1.00 1.10 C ATOM 1046 CH2 TRP A 64 -18.117 -4.149 1.920 1.00 1.18 C ATOM 0 H TRP A 64 -18.155 -0.568 -2.516 1.00 0.61 H new ATOM 0 HA TRP A 64 -17.237 -3.283 -3.132 1.00 0.62 H new ATOM 0 HB2 TRP A 64 -19.933 -2.062 -3.670 1.00 0.78 H new ATOM 0 HB3 TRP A 64 -19.521 -3.736 -3.354 1.00 0.78 H new ATOM 0 HD1 TRP A 64 -20.946 -0.847 -1.605 1.00 1.00 H new ATOM 0 HE1 TRP A 64 -20.794 -1.062 0.964 1.00 1.09 H new ATOM 0 HE3 TRP A 64 -17.616 -4.699 -1.392 1.00 0.96 H new ATOM 0 HZ2 TRP A 64 -19.397 -2.682 2.796 1.00 1.16 H new ATOM 0 HZ3 TRP A 64 -16.908 -5.532 0.812 1.00 1.10 H new ATOM 0 HH2 TRP A 64 -17.789 -4.532 2.875 1.00 1.18 H new ATOM 1057 N GLU A 65 -17.652 -0.858 -5.200 1.00 0.57 N ATOM 1058 CA GLU A 65 -17.401 -0.389 -6.545 1.00 0.55 C ATOM 1059 C GLU A 65 -16.010 -0.789 -7.007 1.00 0.48 C ATOM 1060 O GLU A 65 -15.830 -1.319 -8.094 1.00 0.51 O ATOM 1061 CB GLU A 65 -17.546 1.120 -6.590 1.00 0.59 C ATOM 1062 CG GLU A 65 -17.098 1.740 -7.896 1.00 0.69 C ATOM 1063 CD GLU A 65 -17.477 3.198 -7.990 1.00 1.11 C ATOM 1064 OE1 GLU A 65 -18.688 3.498 -7.999 1.00 1.59 O ATOM 1065 OE2 GLU A 65 -16.570 4.052 -8.047 1.00 1.28 O ATOM 0 H GLU A 65 -17.829 -0.111 -4.529 1.00 0.57 H new ATOM 0 HA GLU A 65 -18.128 -0.847 -7.216 1.00 0.55 H new ATOM 0 HB2 GLU A 65 -18.590 1.380 -6.415 1.00 0.59 H new ATOM 0 HB3 GLU A 65 -16.968 1.555 -5.775 1.00 0.59 H new ATOM 0 HG2 GLU A 65 -16.017 1.640 -7.993 1.00 0.69 H new ATOM 0 HG3 GLU A 65 -17.544 1.195 -8.728 1.00 0.69 H new ATOM 1072 N HIS A 66 -15.022 -0.524 -6.171 1.00 0.43 N ATOM 1073 CA HIS A 66 -13.657 -0.912 -6.472 1.00 0.38 C ATOM 1074 C HIS A 66 -13.320 -2.252 -5.825 1.00 0.36 C ATOM 1075 O HIS A 66 -12.199 -2.729 -5.930 1.00 0.35 O ATOM 1076 CB HIS A 66 -12.650 0.179 -6.070 1.00 0.38 C ATOM 1077 CG HIS A 66 -12.712 0.629 -4.641 1.00 0.40 C ATOM 1078 ND1 HIS A 66 -12.721 1.959 -4.275 1.00 0.47 N ATOM 1079 CD2 HIS A 66 -12.714 -0.072 -3.487 1.00 0.40 C ATOM 1080 CE1 HIS A 66 -12.720 2.055 -2.960 1.00 0.52 C ATOM 1081 NE2 HIS A 66 -12.717 0.837 -2.454 1.00 0.47 N ATOM 0 H HIS A 66 -15.140 -0.042 -5.280 1.00 0.43 H new ATOM 0 HA HIS A 66 -13.578 -1.031 -7.553 1.00 0.38 H new ATOM 0 HB2 HIS A 66 -11.644 -0.189 -6.272 1.00 0.38 H new ATOM 0 HB3 HIS A 66 -12.807 1.046 -6.712 1.00 0.38 H new ATOM 0 HD1 HIS A 66 -12.727 2.747 -4.922 1.00 0.47 H new ATOM 0 HD2 HIS A 66 -12.713 -1.148 -3.392 1.00 0.40 H new ATOM 0 HE1 HIS A 66 -12.721 2.975 -2.394 1.00 0.52 H new ATOM 1090 N LEU A 67 -14.301 -2.837 -5.140 1.00 0.38 N ATOM 1091 CA LEU A 67 -14.156 -4.174 -4.554 1.00 0.40 C ATOM 1092 C LEU A 67 -13.906 -5.176 -5.668 1.00 0.41 C ATOM 1093 O LEU A 67 -13.201 -6.170 -5.500 1.00 0.43 O ATOM 1094 CB LEU A 67 -15.436 -4.541 -3.780 1.00 0.48 C ATOM 1095 CG LEU A 67 -15.305 -5.561 -2.635 1.00 0.71 C ATOM 1096 CD1 LEU A 67 -14.923 -6.943 -3.142 1.00 1.01 C ATOM 1097 CD2 LEU A 67 -14.304 -5.071 -1.602 1.00 1.59 C ATOM 0 H LEU A 67 -15.210 -2.406 -4.975 1.00 0.38 H new ATOM 0 HA LEU A 67 -13.315 -4.189 -3.861 1.00 0.40 H new ATOM 0 HB2 LEU A 67 -15.854 -3.623 -3.367 1.00 0.48 H new ATOM 0 HB3 LEU A 67 -16.162 -4.929 -4.495 1.00 0.48 H new ATOM 0 HG LEU A 67 -16.283 -5.652 -2.163 1.00 0.71 H new ATOM 0 HD11 LEU A 67 -14.842 -7.630 -2.300 1.00 1.01 H new ATOM 0 HD12 LEU A 67 -15.688 -7.302 -3.831 1.00 1.01 H new ATOM 0 HD13 LEU A 67 -13.965 -6.889 -3.660 1.00 1.01 H new ATOM 0 HD21 LEU A 67 -14.222 -5.803 -0.799 1.00 1.59 H new ATOM 0 HD22 LEU A 67 -13.330 -4.939 -2.073 1.00 1.59 H new ATOM 0 HD23 LEU A 67 -14.641 -4.119 -1.192 1.00 1.59 H new ATOM 1109 N ASN A 68 -14.448 -4.863 -6.829 1.00 0.43 N ATOM 1110 CA ASN A 68 -14.328 -5.737 -7.991 1.00 0.47 C ATOM 1111 C ASN A 68 -13.040 -5.445 -8.754 1.00 0.44 C ATOM 1112 O ASN A 68 -12.815 -5.966 -9.848 1.00 0.52 O ATOM 1113 CB ASN A 68 -15.554 -5.623 -8.910 1.00 0.57 C ATOM 1114 CG ASN A 68 -16.137 -4.225 -8.966 1.00 0.84 C ATOM 1115 OD1 ASN A 68 -17.107 -3.961 -8.095 1.00 1.86 O flip ATOM 1116 ND2 ASN A 68 -15.741 -3.406 -9.794 1.00 0.58 N flip ATOM 0 H ASN A 68 -14.978 -4.008 -6.998 1.00 0.43 H new ATOM 0 HA ASN A 68 -14.285 -6.765 -7.632 1.00 0.47 H new ATOM 0 HB2 ASN A 68 -15.274 -5.932 -9.917 1.00 0.57 H new ATOM 0 HB3 ASN A 68 -16.322 -6.315 -8.566 1.00 0.57 H new ATOM 0 HD21 ASN A 68 -14.994 -3.656 -10.441 1.00 0.58 H new ATOM 0 HD22 ASN A 68 -16.160 -2.477 -9.833 1.00 0.58 H new ATOM 1123 N GLU A 69 -12.200 -4.608 -8.160 1.00 0.37 N ATOM 1124 CA GLU A 69 -10.853 -4.371 -8.659 1.00 0.37 C ATOM 1125 C GLU A 69 -9.857 -5.229 -7.888 1.00 0.32 C ATOM 1126 O GLU A 69 -10.238 -5.996 -6.998 1.00 0.35 O ATOM 1127 CB GLU A 69 -10.456 -2.904 -8.492 1.00 0.38 C ATOM 1128 CG GLU A 69 -11.303 -1.919 -9.281 1.00 0.45 C ATOM 1129 CD GLU A 69 -10.597 -0.588 -9.461 1.00 1.07 C ATOM 1130 OE1 GLU A 69 -10.592 0.230 -8.517 1.00 1.85 O ATOM 1131 OE2 GLU A 69 -10.009 -0.371 -10.540 1.00 1.39 O ATOM 0 H GLU A 69 -12.433 -4.076 -7.321 1.00 0.37 H new ATOM 0 HA GLU A 69 -10.840 -4.629 -9.718 1.00 0.37 H new ATOM 0 HB2 GLU A 69 -10.513 -2.645 -7.435 1.00 0.38 H new ATOM 0 HB3 GLU A 69 -9.415 -2.788 -8.792 1.00 0.38 H new ATOM 0 HG2 GLU A 69 -11.537 -2.342 -10.258 1.00 0.45 H new ATOM 0 HG3 GLU A 69 -12.251 -1.761 -8.767 1.00 0.45 H new ATOM 1138 N ASP A 70 -8.581 -5.091 -8.208 1.00 0.32 N ATOM 1139 CA ASP A 70 -7.550 -5.766 -7.443 1.00 0.30 C ATOM 1140 C ASP A 70 -6.959 -4.806 -6.427 1.00 0.22 C ATOM 1141 O ASP A 70 -6.835 -3.615 -6.703 1.00 0.24 O ATOM 1142 CB ASP A 70 -6.455 -6.351 -8.332 1.00 0.41 C ATOM 1143 CG ASP A 70 -5.650 -7.380 -7.571 1.00 0.63 C ATOM 1144 OD1 ASP A 70 -6.230 -8.129 -6.758 1.00 1.21 O ATOM 1145 OD2 ASP A 70 -4.419 -7.433 -7.796 1.00 1.10 O ATOM 0 H ASP A 70 -8.238 -4.524 -8.984 1.00 0.32 H new ATOM 0 HA ASP A 70 -8.015 -6.606 -6.926 1.00 0.30 H new ATOM 0 HB2 ASP A 70 -6.901 -6.809 -9.215 1.00 0.41 H new ATOM 0 HB3 ASP A 70 -5.799 -5.554 -8.683 1.00 0.41 H new ATOM 1150 N LEU A 71 -6.626 -5.328 -5.254 1.00 0.19 N ATOM 1151 CA LEU A 71 -6.253 -4.513 -4.097 1.00 0.17 C ATOM 1152 C LEU A 71 -5.129 -3.524 -4.418 1.00 0.17 C ATOM 1153 O LEU A 71 -4.001 -3.904 -4.708 1.00 0.20 O ATOM 1154 CB LEU A 71 -5.836 -5.433 -2.949 1.00 0.19 C ATOM 1155 CG LEU A 71 -5.573 -4.731 -1.621 1.00 0.41 C ATOM 1156 CD1 LEU A 71 -6.736 -3.816 -1.290 1.00 0.90 C ATOM 1157 CD2 LEU A 71 -5.354 -5.750 -0.512 1.00 0.79 C ATOM 0 H LEU A 71 -6.606 -6.332 -5.074 1.00 0.19 H new ATOM 0 HA LEU A 71 -7.122 -3.921 -3.809 1.00 0.17 H new ATOM 0 HB2 LEU A 71 -6.617 -6.179 -2.800 1.00 0.19 H new ATOM 0 HB3 LEU A 71 -4.934 -5.970 -3.243 1.00 0.19 H new ATOM 0 HG LEU A 71 -4.667 -4.131 -1.708 1.00 0.41 H new ATOM 0 HD11 LEU A 71 -6.546 -3.315 -0.341 1.00 0.90 H new ATOM 0 HD12 LEU A 71 -6.848 -3.071 -2.077 1.00 0.90 H new ATOM 0 HD13 LEU A 71 -7.651 -4.404 -1.214 1.00 0.90 H new ATOM 0 HD21 LEU A 71 -5.168 -5.230 0.428 1.00 0.79 H new ATOM 0 HD22 LEU A 71 -6.241 -6.375 -0.412 1.00 0.79 H new ATOM 0 HD23 LEU A 71 -4.496 -6.376 -0.757 1.00 0.79 H new ATOM 1169 N HIS A 72 -5.460 -2.245 -4.406 1.00 0.17 N ATOM 1170 CA HIS A 72 -4.471 -1.203 -4.617 1.00 0.17 C ATOM 1171 C HIS A 72 -4.830 0.046 -3.822 1.00 0.17 C ATOM 1172 O HIS A 72 -6.004 0.334 -3.610 1.00 0.21 O ATOM 1173 CB HIS A 72 -4.331 -0.873 -6.107 1.00 0.20 C ATOM 1174 CG HIS A 72 -5.570 -0.345 -6.755 1.00 0.23 C ATOM 1175 ND1 HIS A 72 -6.493 -1.152 -7.368 1.00 0.29 N ATOM 1176 CD2 HIS A 72 -6.006 0.920 -6.931 1.00 0.25 C ATOM 1177 CE1 HIS A 72 -7.436 -0.412 -7.905 1.00 0.32 C ATOM 1178 NE2 HIS A 72 -7.170 0.855 -7.661 1.00 0.29 N ATOM 0 H HIS A 72 -6.408 -1.902 -4.252 1.00 0.17 H new ATOM 0 HA HIS A 72 -3.509 -1.573 -4.262 1.00 0.17 H new ATOM 0 HB2 HIS A 72 -3.534 -0.139 -6.228 1.00 0.20 H new ATOM 0 HB3 HIS A 72 -4.018 -1.773 -6.636 1.00 0.20 H new ATOM 0 HD1 HIS A 72 -6.454 -2.171 -7.402 1.00 0.29 H new ATOM 0 HD2 HIS A 72 -5.529 1.818 -6.566 1.00 0.25 H new ATOM 0 HE1 HIS A 72 -8.289 -0.781 -8.456 1.00 0.32 H new ATOM 1187 N VAL A 73 -3.831 0.801 -3.417 1.00 0.19 N ATOM 1188 CA VAL A 73 -4.073 2.045 -2.705 1.00 0.19 C ATOM 1189 C VAL A 73 -4.112 3.199 -3.695 1.00 0.20 C ATOM 1190 O VAL A 73 -3.171 3.416 -4.456 1.00 0.28 O ATOM 1191 CB VAL A 73 -3.009 2.312 -1.617 1.00 0.23 C ATOM 1192 CG1 VAL A 73 -3.190 1.355 -0.451 1.00 0.27 C ATOM 1193 CG2 VAL A 73 -1.600 2.194 -2.179 1.00 0.29 C ATOM 0 H VAL A 73 -2.847 0.580 -3.566 1.00 0.19 H new ATOM 0 HA VAL A 73 -5.034 1.957 -2.199 1.00 0.19 H new ATOM 0 HB VAL A 73 -3.146 3.333 -1.262 1.00 0.23 H new ATOM 0 HG11 VAL A 73 -2.432 1.557 0.306 1.00 0.27 H new ATOM 0 HG12 VAL A 73 -4.181 1.492 -0.018 1.00 0.27 H new ATOM 0 HG13 VAL A 73 -3.087 0.329 -0.803 1.00 0.27 H new ATOM 0 HG21 VAL A 73 -0.875 2.388 -1.388 1.00 0.29 H new ATOM 0 HG22 VAL A 73 -1.448 1.189 -2.572 1.00 0.29 H new ATOM 0 HG23 VAL A 73 -1.466 2.921 -2.980 1.00 0.29 H new ATOM 1203 N LEU A 74 -5.219 3.909 -3.721 1.00 0.18 N ATOM 1204 CA LEU A 74 -5.403 4.975 -4.684 1.00 0.18 C ATOM 1205 C LEU A 74 -5.579 6.312 -4.007 1.00 0.18 C ATOM 1206 O LEU A 74 -6.517 6.523 -3.250 1.00 0.19 O ATOM 1207 CB LEU A 74 -6.608 4.681 -5.585 1.00 0.22 C ATOM 1208 CG LEU A 74 -7.299 5.920 -6.169 1.00 0.37 C ATOM 1209 CD1 LEU A 74 -6.350 6.725 -7.012 1.00 1.10 C ATOM 1210 CD2 LEU A 74 -8.522 5.535 -6.971 1.00 0.80 C ATOM 0 H LEU A 74 -6.005 3.768 -3.087 1.00 0.18 H new ATOM 0 HA LEU A 74 -4.502 5.024 -5.295 1.00 0.18 H new ATOM 0 HB2 LEU A 74 -6.281 4.045 -6.407 1.00 0.22 H new ATOM 0 HB3 LEU A 74 -7.340 4.111 -5.013 1.00 0.22 H new ATOM 0 HG LEU A 74 -7.621 6.540 -5.332 1.00 0.37 H new ATOM 0 HD11 LEU A 74 -6.868 7.596 -7.412 1.00 1.10 H new ATOM 0 HD12 LEU A 74 -5.509 7.052 -6.401 1.00 1.10 H new ATOM 0 HD13 LEU A 74 -5.984 6.111 -7.835 1.00 1.10 H new ATOM 0 HD21 LEU A 74 -8.991 6.433 -7.373 1.00 0.80 H new ATOM 0 HD22 LEU A 74 -8.228 4.881 -7.792 1.00 0.80 H new ATOM 0 HD23 LEU A 74 -9.230 5.013 -6.327 1.00 0.80 H new ATOM 1222 N ILE A 75 -4.674 7.213 -4.309 1.00 0.19 N ATOM 1223 CA ILE A 75 -4.829 8.592 -3.923 1.00 0.18 C ATOM 1224 C ILE A 75 -5.694 9.306 -4.944 1.00 0.18 C ATOM 1225 O ILE A 75 -5.278 9.530 -6.085 1.00 0.21 O ATOM 1226 CB ILE A 75 -3.468 9.297 -3.813 1.00 0.21 C ATOM 1227 CG1 ILE A 75 -2.505 8.752 -4.866 1.00 0.27 C ATOM 1228 CG2 ILE A 75 -2.897 9.148 -2.415 1.00 0.22 C ATOM 1229 CD1 ILE A 75 -1.184 9.465 -4.886 1.00 0.30 C ATOM 0 H ILE A 75 -3.817 7.012 -4.825 1.00 0.19 H new ATOM 0 HA ILE A 75 -5.306 8.623 -2.943 1.00 0.18 H new ATOM 0 HB ILE A 75 -3.609 10.362 -4.000 1.00 0.21 H new ATOM 0 HG12 ILE A 75 -2.335 7.692 -4.679 1.00 0.27 H new ATOM 0 HG13 ILE A 75 -2.969 8.832 -5.849 1.00 0.27 H new ATOM 0 HG21 ILE A 75 -1.933 9.655 -2.360 1.00 0.22 H new ATOM 0 HG22 ILE A 75 -3.582 9.592 -1.693 1.00 0.22 H new ATOM 0 HG23 ILE A 75 -2.765 8.090 -2.187 1.00 0.22 H new ATOM 0 HD11 ILE A 75 -0.547 9.029 -5.656 1.00 0.30 H new ATOM 0 HD12 ILE A 75 -1.344 10.521 -5.102 1.00 0.30 H new ATOM 0 HD13 ILE A 75 -0.701 9.363 -3.914 1.00 0.30 H new ATOM 1241 N THR A 76 -6.902 9.648 -4.538 1.00 0.17 N ATOM 1242 CA THR A 76 -7.828 10.299 -5.435 1.00 0.20 C ATOM 1243 C THR A 76 -8.005 11.758 -5.074 1.00 0.19 C ATOM 1244 O THR A 76 -8.467 12.095 -3.991 1.00 0.22 O ATOM 1245 CB THR A 76 -9.202 9.611 -5.419 1.00 0.24 C ATOM 1246 OG1 THR A 76 -9.133 8.384 -4.677 1.00 0.25 O ATOM 1247 CG2 THR A 76 -9.670 9.313 -6.820 1.00 0.31 C ATOM 0 H THR A 76 -7.261 9.485 -3.597 1.00 0.17 H new ATOM 0 HA THR A 76 -7.403 10.224 -6.436 1.00 0.20 H new ATOM 0 HB THR A 76 -9.911 10.290 -4.944 1.00 0.24 H new ATOM 0 HG1 THR A 76 -9.239 8.573 -3.721 1.00 0.25 H new ATOM 0 HG21 THR A 76 -10.645 8.826 -6.782 1.00 0.31 H new ATOM 0 HG22 THR A 76 -9.751 10.243 -7.382 1.00 0.31 H new ATOM 0 HG23 THR A 76 -8.954 8.654 -7.310 1.00 0.31 H new ATOM 1255 N VAL A 77 -7.680 12.615 -6.009 1.00 0.23 N ATOM 1256 CA VAL A 77 -7.639 14.037 -5.744 1.00 0.25 C ATOM 1257 C VAL A 77 -8.651 14.801 -6.567 1.00 0.33 C ATOM 1258 O VAL A 77 -8.719 14.655 -7.790 1.00 0.44 O ATOM 1259 CB VAL A 77 -6.259 14.627 -6.064 1.00 0.35 C ATOM 1260 CG1 VAL A 77 -5.760 15.464 -4.908 1.00 0.75 C ATOM 1261 CG2 VAL A 77 -5.281 13.531 -6.446 1.00 0.86 C ATOM 0 H VAL A 77 -7.439 12.355 -6.965 1.00 0.23 H new ATOM 0 HA VAL A 77 -7.867 14.142 -4.683 1.00 0.25 H new ATOM 0 HB VAL A 77 -6.349 15.288 -6.926 1.00 0.35 H new ATOM 0 HG11 VAL A 77 -4.780 15.874 -5.152 1.00 0.75 H new ATOM 0 HG12 VAL A 77 -6.459 16.279 -4.721 1.00 0.75 H new ATOM 0 HG13 VAL A 77 -5.681 14.842 -4.016 1.00 0.75 H new ATOM 0 HG21 VAL A 77 -4.309 13.972 -6.669 1.00 0.86 H new ATOM 0 HG22 VAL A 77 -5.180 12.829 -5.618 1.00 0.86 H new ATOM 0 HG23 VAL A 77 -5.651 13.004 -7.326 1.00 0.86 H new ATOM 1271 N GLU A 78 -9.437 15.613 -5.886 1.00 0.37 N ATOM 1272 CA GLU A 78 -10.283 16.575 -6.556 1.00 0.50 C ATOM 1273 C GLU A 78 -9.697 17.963 -6.351 1.00 0.63 C ATOM 1274 O GLU A 78 -9.976 18.626 -5.349 1.00 0.77 O ATOM 1275 CB GLU A 78 -11.718 16.514 -6.027 1.00 0.63 C ATOM 1276 CG GLU A 78 -12.445 15.234 -6.392 1.00 0.62 C ATOM 1277 CD GLU A 78 -13.860 15.189 -5.857 1.00 1.09 C ATOM 1278 OE1 GLU A 78 -14.657 16.087 -6.196 1.00 1.55 O ATOM 1279 OE2 GLU A 78 -14.188 14.251 -5.105 1.00 1.63 O ATOM 0 H GLU A 78 -9.505 15.624 -4.868 1.00 0.37 H new ATOM 0 HA GLU A 78 -10.320 16.341 -7.620 1.00 0.50 H new ATOM 0 HB2 GLU A 78 -11.701 16.616 -4.942 1.00 0.63 H new ATOM 0 HB3 GLU A 78 -12.277 17.364 -6.418 1.00 0.63 H new ATOM 0 HG2 GLU A 78 -12.468 15.132 -7.477 1.00 0.62 H new ATOM 0 HG3 GLU A 78 -11.887 14.382 -6.004 1.00 0.62 H new ATOM 1286 N ASP A 79 -8.862 18.375 -7.291 1.00 0.66 N ATOM 1287 CA ASP A 79 -8.168 19.656 -7.210 1.00 0.84 C ATOM 1288 C ASP A 79 -7.569 19.976 -8.571 1.00 0.75 C ATOM 1289 O ASP A 79 -7.695 19.171 -9.495 1.00 1.08 O ATOM 1290 CB ASP A 79 -7.062 19.592 -6.139 1.00 1.20 C ATOM 1291 CG ASP A 79 -6.344 20.914 -5.943 1.00 1.67 C ATOM 1292 OD1 ASP A 79 -6.948 21.841 -5.375 1.00 2.05 O ATOM 1293 OD2 ASP A 79 -5.177 21.037 -6.381 1.00 1.81 O ATOM 0 H ASP A 79 -8.645 17.836 -8.129 1.00 0.66 H new ATOM 0 HA ASP A 79 -8.871 20.440 -6.928 1.00 0.84 H new ATOM 0 HB2 ASP A 79 -7.500 19.280 -5.191 1.00 1.20 H new ATOM 0 HB3 ASP A 79 -6.336 18.830 -6.421 1.00 1.20 H new ATOM 1298 N ALA A 80 -6.943 21.140 -8.705 1.00 0.91 N ATOM 1299 CA ALA A 80 -6.217 21.476 -9.916 1.00 1.17 C ATOM 1300 C ALA A 80 -5.178 20.399 -10.195 1.00 1.09 C ATOM 1301 O ALA A 80 -5.254 19.707 -11.217 1.00 1.60 O ATOM 1302 CB ALA A 80 -5.554 22.838 -9.784 1.00 1.85 C ATOM 0 H ALA A 80 -6.926 21.865 -7.987 1.00 0.91 H new ATOM 0 HA ALA A 80 -6.916 21.525 -10.751 1.00 1.17 H new ATOM 0 HB1 ALA A 80 -5.015 23.071 -10.702 1.00 1.85 H new ATOM 0 HB2 ALA A 80 -6.315 23.598 -9.608 1.00 1.85 H new ATOM 0 HB3 ALA A 80 -4.856 22.823 -8.947 1.00 1.85 H new ATOM 1308 N GLN A 81 -4.237 20.247 -9.254 1.00 1.04 N ATOM 1309 CA GLN A 81 -3.230 19.189 -9.308 1.00 1.65 C ATOM 1310 C GLN A 81 -2.135 19.391 -8.257 1.00 0.98 C ATOM 1311 O GLN A 81 -2.119 18.716 -7.234 1.00 0.75 O ATOM 1312 CB GLN A 81 -2.568 19.093 -10.689 1.00 2.75 C ATOM 1313 CG GLN A 81 -1.452 18.063 -10.738 1.00 3.72 C ATOM 1314 CD GLN A 81 -0.769 17.973 -12.084 1.00 4.69 C ATOM 1315 OE1 GLN A 81 -0.737 18.940 -12.851 1.00 5.14 O ATOM 1316 NE2 GLN A 81 -0.179 16.823 -12.365 1.00 5.39 N ATOM 0 H GLN A 81 -4.156 20.854 -8.438 1.00 1.04 H new ATOM 0 HA GLN A 81 -3.765 18.262 -9.102 1.00 1.65 H new ATOM 0 HB2 GLN A 81 -3.324 18.838 -11.432 1.00 2.75 H new ATOM 0 HB3 GLN A 81 -2.167 20.069 -10.963 1.00 2.75 H new ATOM 0 HG2 GLN A 81 -0.709 18.308 -9.979 1.00 3.72 H new ATOM 0 HG3 GLN A 81 -1.860 17.085 -10.481 1.00 3.72 H new ATOM 0 HE21 GLN A 81 -0.230 16.049 -11.703 1.00 5.39 H new ATOM 0 HE22 GLN A 81 0.327 16.711 -13.244 1.00 5.39 H new ATOM 1325 N ASN A 82 -1.262 20.358 -8.517 1.00 0.84 N ATOM 1326 CA ASN A 82 0.056 20.439 -7.880 1.00 0.71 C ATOM 1327 C ASN A 82 0.010 20.419 -6.351 1.00 0.59 C ATOM 1328 O ASN A 82 0.546 19.511 -5.733 1.00 0.56 O ATOM 1329 CB ASN A 82 0.784 21.692 -8.364 1.00 1.13 C ATOM 1330 CG ASN A 82 1.049 21.687 -9.862 1.00 1.74 C ATOM 1331 OD1 ASN A 82 1.035 22.734 -10.509 1.00 2.48 O ATOM 1332 ND2 ASN A 82 1.289 20.514 -10.431 1.00 2.28 N ATOM 0 H ASN A 82 -1.445 21.113 -9.178 1.00 0.84 H new ATOM 0 HA ASN A 82 0.597 19.540 -8.177 1.00 0.71 H new ATOM 0 HB2 ASN A 82 0.191 22.571 -8.109 1.00 1.13 H new ATOM 0 HB3 ASN A 82 1.732 21.782 -7.834 1.00 1.13 H new ATOM 0 HD21 ASN A 82 1.469 20.461 -11.434 1.00 2.28 H new ATOM 0 HD22 ASN A 82 1.293 19.665 -9.866 1.00 2.28 H new ATOM 1339 N ARG A 83 -0.622 21.416 -5.752 1.00 0.65 N ATOM 1340 CA ARG A 83 -0.662 21.560 -4.294 1.00 0.63 C ATOM 1341 C ARG A 83 -1.133 20.279 -3.610 1.00 0.46 C ATOM 1342 O ARG A 83 -0.504 19.796 -2.663 1.00 0.43 O ATOM 1343 CB ARG A 83 -1.590 22.716 -3.907 1.00 0.81 C ATOM 1344 CG ARG A 83 -1.242 24.034 -4.581 1.00 1.66 C ATOM 1345 CD ARG A 83 0.155 24.502 -4.210 1.00 2.10 C ATOM 1346 NE ARG A 83 0.268 24.826 -2.792 1.00 2.64 N ATOM 1347 CZ ARG A 83 1.418 25.065 -2.171 1.00 3.34 C ATOM 1348 NH1 ARG A 83 2.571 24.970 -2.829 1.00 3.68 N ATOM 1349 NH2 ARG A 83 1.412 25.390 -0.885 1.00 4.17 N ATOM 0 H ARG A 83 -1.122 22.149 -6.255 1.00 0.65 H new ATOM 0 HA ARG A 83 0.353 21.769 -3.957 1.00 0.63 H new ATOM 0 HB2 ARG A 83 -2.615 22.448 -4.162 1.00 0.81 H new ATOM 0 HB3 ARG A 83 -1.555 22.851 -2.826 1.00 0.81 H new ATOM 0 HG2 ARG A 83 -1.312 23.920 -5.663 1.00 1.66 H new ATOM 0 HG3 ARG A 83 -1.969 24.793 -4.293 1.00 1.66 H new ATOM 0 HD2 ARG A 83 0.876 23.724 -4.462 1.00 2.10 H new ATOM 0 HD3 ARG A 83 0.412 25.379 -4.803 1.00 2.10 H new ATOM 0 HE ARG A 83 -0.590 24.872 -2.243 1.00 2.64 H new ATOM 0 HH11 ARG A 83 2.575 24.712 -3.816 1.00 3.68 H new ATOM 0 HH12 ARG A 83 3.450 25.155 -2.346 1.00 3.68 H new ATOM 0 HH21 ARG A 83 0.528 25.455 -0.380 1.00 4.17 H new ATOM 0 HH22 ARG A 83 2.291 25.575 -0.402 1.00 4.17 H new ATOM 1363 N ALA A 84 -2.226 19.721 -4.106 1.00 0.43 N ATOM 1364 CA ALA A 84 -2.816 18.543 -3.498 1.00 0.38 C ATOM 1365 C ALA A 84 -2.000 17.293 -3.808 1.00 0.29 C ATOM 1366 O ALA A 84 -1.791 16.451 -2.936 1.00 0.35 O ATOM 1367 CB ALA A 84 -4.255 18.383 -3.952 1.00 0.49 C ATOM 0 H ALA A 84 -2.721 20.066 -4.928 1.00 0.43 H new ATOM 0 HA ALA A 84 -2.808 18.676 -2.416 1.00 0.38 H new ATOM 0 HB1 ALA A 84 -4.686 17.496 -3.489 1.00 0.49 H new ATOM 0 HB2 ALA A 84 -4.829 19.261 -3.658 1.00 0.49 H new ATOM 0 HB3 ALA A 84 -4.285 18.277 -5.036 1.00 0.49 H new ATOM 1373 N GLU A 85 -1.518 17.184 -5.047 1.00 0.25 N ATOM 1374 CA GLU A 85 -0.718 16.032 -5.459 1.00 0.26 C ATOM 1375 C GLU A 85 0.606 16.026 -4.709 1.00 0.28 C ATOM 1376 O GLU A 85 1.153 14.978 -4.395 1.00 0.34 O ATOM 1377 CB GLU A 85 -0.469 16.046 -6.967 1.00 0.34 C ATOM 1378 CG GLU A 85 0.702 16.930 -7.376 1.00 0.49 C ATOM 1379 CD GLU A 85 0.983 16.941 -8.858 1.00 0.79 C ATOM 1380 OE1 GLU A 85 0.845 15.886 -9.506 1.00 1.24 O ATOM 1381 OE2 GLU A 85 1.380 18.007 -9.377 1.00 1.31 O ATOM 0 H GLU A 85 -1.668 17.878 -5.780 1.00 0.25 H new ATOM 0 HA GLU A 85 -1.273 15.126 -5.217 1.00 0.26 H new ATOM 0 HB2 GLU A 85 -0.282 15.027 -7.307 1.00 0.34 H new ATOM 0 HB3 GLU A 85 -1.370 16.391 -7.474 1.00 0.34 H new ATOM 0 HG2 GLU A 85 0.504 17.950 -7.048 1.00 0.49 H new ATOM 0 HG3 GLU A 85 1.596 16.594 -6.851 1.00 0.49 H new ATOM 1388 N LEU A 86 1.095 17.214 -4.411 1.00 0.30 N ATOM 1389 CA LEU A 86 2.303 17.384 -3.637 1.00 0.36 C ATOM 1390 C LEU A 86 2.127 16.713 -2.280 1.00 0.28 C ATOM 1391 O LEU A 86 2.938 15.875 -1.849 1.00 0.28 O ATOM 1392 CB LEU A 86 2.550 18.889 -3.473 1.00 0.47 C ATOM 1393 CG LEU A 86 3.364 19.561 -4.584 1.00 0.73 C ATOM 1394 CD1 LEU A 86 3.505 21.051 -4.310 1.00 1.45 C ATOM 1395 CD2 LEU A 86 4.732 18.912 -4.723 1.00 1.47 C ATOM 0 H LEU A 86 0.662 18.090 -4.702 1.00 0.30 H new ATOM 0 HA LEU A 86 3.157 16.927 -4.136 1.00 0.36 H new ATOM 0 HB2 LEU A 86 1.584 19.390 -3.403 1.00 0.47 H new ATOM 0 HB3 LEU A 86 3.063 19.052 -2.525 1.00 0.47 H new ATOM 0 HG LEU A 86 2.830 19.429 -5.525 1.00 0.73 H new ATOM 0 HD11 LEU A 86 4.086 21.514 -5.108 1.00 1.45 H new ATOM 0 HD12 LEU A 86 2.516 21.508 -4.268 1.00 1.45 H new ATOM 0 HD13 LEU A 86 4.014 21.199 -3.358 1.00 1.45 H new ATOM 0 HD21 LEU A 86 5.290 19.407 -5.518 1.00 1.47 H new ATOM 0 HD22 LEU A 86 5.277 19.007 -3.784 1.00 1.47 H new ATOM 0 HD23 LEU A 86 4.611 17.857 -4.967 1.00 1.47 H new ATOM 1407 N LYS A 87 1.031 17.060 -1.646 1.00 0.24 N ATOM 1408 CA LYS A 87 0.664 16.498 -0.361 1.00 0.22 C ATOM 1409 C LYS A 87 0.387 15.004 -0.459 1.00 0.18 C ATOM 1410 O LYS A 87 0.860 14.227 0.372 1.00 0.20 O ATOM 1411 CB LYS A 87 -0.592 17.185 0.151 1.00 0.27 C ATOM 1412 CG LYS A 87 -0.592 17.442 1.652 1.00 0.29 C ATOM 1413 CD LYS A 87 0.454 18.463 2.063 1.00 0.75 C ATOM 1414 CE LYS A 87 0.449 18.677 3.570 1.00 1.40 C ATOM 1415 NZ LYS A 87 -0.884 19.113 4.072 1.00 1.74 N ATOM 0 H LYS A 87 0.364 17.743 -2.006 1.00 0.24 H new ATOM 0 HA LYS A 87 1.501 16.655 0.320 1.00 0.22 H new ATOM 0 HB2 LYS A 87 -0.711 18.135 -0.369 1.00 0.27 H new ATOM 0 HB3 LYS A 87 -1.457 16.572 -0.102 1.00 0.27 H new ATOM 0 HG2 LYS A 87 -1.578 17.792 1.958 1.00 0.29 H new ATOM 0 HG3 LYS A 87 -0.409 16.505 2.179 1.00 0.29 H new ATOM 0 HD2 LYS A 87 1.440 18.126 1.744 1.00 0.75 H new ATOM 0 HD3 LYS A 87 0.261 19.409 1.558 1.00 0.75 H new ATOM 0 HE2 LYS A 87 0.738 17.751 4.068 1.00 1.40 H new ATOM 0 HE3 LYS A 87 1.197 19.426 3.831 1.00 1.40 H new ATOM 0 HZ1 LYS A 87 -0.812 19.360 5.080 1.00 1.74 H new ATOM 0 HZ2 LYS A 87 -1.203 19.944 3.534 1.00 1.74 H new ATOM 0 HZ3 LYS A 87 -1.569 18.340 3.954 1.00 1.74 H new ATOM 1429 N LEU A 88 -0.389 14.584 -1.454 1.00 0.19 N ATOM 1430 CA LEU A 88 -0.761 13.172 -1.504 1.00 0.21 C ATOM 1431 C LEU A 88 0.413 12.271 -1.852 1.00 0.21 C ATOM 1432 O LEU A 88 0.480 11.145 -1.373 1.00 0.22 O ATOM 1433 CB LEU A 88 -2.042 12.856 -2.343 1.00 0.30 C ATOM 1434 CG LEU A 88 -2.056 12.744 -3.903 1.00 0.54 C ATOM 1435 CD1 LEU A 88 -2.844 13.877 -4.499 1.00 1.09 C ATOM 1436 CD2 LEU A 88 -0.718 12.678 -4.589 1.00 1.33 C ATOM 0 H LEU A 88 -0.758 15.168 -2.204 1.00 0.19 H new ATOM 0 HA LEU A 88 -1.051 12.932 -0.481 1.00 0.21 H new ATOM 0 HB2 LEU A 88 -2.428 11.909 -1.966 1.00 0.30 H new ATOM 0 HB3 LEU A 88 -2.772 13.623 -2.086 1.00 0.30 H new ATOM 0 HG LEU A 88 -2.520 11.774 -4.083 1.00 0.54 H new ATOM 0 HD11 LEU A 88 -2.846 13.787 -5.585 1.00 1.09 H new ATOM 0 HD12 LEU A 88 -3.869 13.841 -4.130 1.00 1.09 H new ATOM 0 HD13 LEU A 88 -2.389 14.826 -4.214 1.00 1.09 H new ATOM 0 HD21 LEU A 88 -0.865 12.602 -5.666 1.00 1.33 H new ATOM 0 HD22 LEU A 88 -0.148 13.579 -4.363 1.00 1.33 H new ATOM 0 HD23 LEU A 88 -0.170 11.804 -4.235 1.00 1.33 H new ATOM 1448 N LYS A 89 1.354 12.766 -2.646 1.00 0.26 N ATOM 1449 CA LYS A 89 2.469 11.940 -3.081 1.00 0.31 C ATOM 1450 C LYS A 89 3.407 11.661 -1.915 1.00 0.29 C ATOM 1451 O LYS A 89 3.935 10.565 -1.793 1.00 0.30 O ATOM 1452 CB LYS A 89 3.209 12.572 -4.278 1.00 0.41 C ATOM 1453 CG LYS A 89 3.904 13.899 -3.990 1.00 0.47 C ATOM 1454 CD LYS A 89 5.316 13.707 -3.462 1.00 0.90 C ATOM 1455 CE LYS A 89 6.218 13.059 -4.502 1.00 1.05 C ATOM 1456 NZ LYS A 89 7.580 12.789 -3.972 1.00 2.07 N ATOM 0 H LYS A 89 1.367 13.723 -2.997 1.00 0.26 H new ATOM 0 HA LYS A 89 2.074 10.986 -3.428 1.00 0.31 H new ATOM 0 HB2 LYS A 89 3.953 11.862 -4.639 1.00 0.41 H new ATOM 0 HB3 LYS A 89 2.494 12.724 -5.087 1.00 0.41 H new ATOM 0 HG2 LYS A 89 3.937 14.495 -4.902 1.00 0.47 H new ATOM 0 HG3 LYS A 89 3.320 14.462 -3.262 1.00 0.47 H new ATOM 0 HD2 LYS A 89 5.731 14.672 -3.170 1.00 0.90 H new ATOM 0 HD3 LYS A 89 5.289 13.087 -2.566 1.00 0.90 H new ATOM 0 HE2 LYS A 89 5.769 12.125 -4.839 1.00 1.05 H new ATOM 0 HE3 LYS A 89 6.291 13.710 -5.373 1.00 1.05 H new ATOM 0 HZ1 LYS A 89 8.269 12.825 -4.750 1.00 2.07 H new ATOM 0 HZ2 LYS A 89 7.824 13.507 -3.260 1.00 2.07 H new ATOM 0 HZ3 LYS A 89 7.601 11.846 -3.534 1.00 2.07 H new ATOM 1470 N ARG A 90 3.590 12.648 -1.040 1.00 0.27 N ATOM 1471 CA ARG A 90 4.459 12.457 0.121 1.00 0.30 C ATOM 1472 C ARG A 90 3.816 11.493 1.121 1.00 0.25 C ATOM 1473 O ARG A 90 4.472 10.578 1.632 1.00 0.28 O ATOM 1474 CB ARG A 90 4.797 13.792 0.795 1.00 0.36 C ATOM 1475 CG ARG A 90 3.589 14.556 1.294 1.00 0.35 C ATOM 1476 CD ARG A 90 3.983 15.824 2.022 1.00 0.75 C ATOM 1477 NE ARG A 90 4.649 15.549 3.292 1.00 1.44 N ATOM 1478 CZ ARG A 90 5.347 16.453 3.971 1.00 1.98 C ATOM 1479 NH1 ARG A 90 5.555 17.660 3.456 1.00 2.10 N ATOM 1480 NH2 ARG A 90 5.860 16.137 5.151 1.00 2.93 N ATOM 0 H ARG A 90 3.159 13.570 -1.109 1.00 0.27 H new ATOM 0 HA ARG A 90 5.393 12.020 -0.231 1.00 0.30 H new ATOM 0 HB2 ARG A 90 5.466 13.604 1.634 1.00 0.36 H new ATOM 0 HB3 ARG A 90 5.341 14.417 0.087 1.00 0.36 H new ATOM 0 HG2 ARG A 90 2.945 14.807 0.451 1.00 0.35 H new ATOM 0 HG3 ARG A 90 3.008 13.920 1.962 1.00 0.35 H new ATOM 0 HD2 ARG A 90 4.644 16.414 1.388 1.00 0.75 H new ATOM 0 HD3 ARG A 90 3.094 16.427 2.204 1.00 0.75 H new ATOM 0 HE ARG A 90 4.574 14.609 3.680 1.00 1.44 H new ATOM 0 HH11 ARG A 90 5.179 17.894 2.537 1.00 2.10 H new ATOM 0 HH12 ARG A 90 6.091 18.352 3.979 1.00 2.10 H new ATOM 0 HH21 ARG A 90 5.718 15.203 5.535 1.00 2.93 H new ATOM 0 HH22 ARG A 90 6.396 16.828 5.675 1.00 2.93 H new ATOM 1494 N ALA A 91 2.525 11.682 1.376 1.00 0.22 N ATOM 1495 CA ALA A 91 1.800 10.834 2.311 1.00 0.23 C ATOM 1496 C ALA A 91 1.669 9.421 1.766 1.00 0.21 C ATOM 1497 O ALA A 91 1.862 8.440 2.486 1.00 0.24 O ATOM 1498 CB ALA A 91 0.426 11.416 2.594 1.00 0.26 C ATOM 0 H ALA A 91 1.961 12.416 0.947 1.00 0.22 H new ATOM 0 HA ALA A 91 2.364 10.793 3.243 1.00 0.23 H new ATOM 0 HB1 ALA A 91 -0.105 10.771 3.295 1.00 0.26 H new ATOM 0 HB2 ALA A 91 0.534 12.411 3.026 1.00 0.26 H new ATOM 0 HB3 ALA A 91 -0.139 11.484 1.664 1.00 0.26 H new ATOM 1504 N VAL A 92 1.350 9.321 0.487 1.00 0.18 N ATOM 1505 CA VAL A 92 1.182 8.031 -0.150 1.00 0.19 C ATOM 1506 C VAL A 92 2.521 7.311 -0.291 1.00 0.22 C ATOM 1507 O VAL A 92 2.568 6.084 -0.312 1.00 0.24 O ATOM 1508 CB VAL A 92 0.486 8.155 -1.519 1.00 0.22 C ATOM 1509 CG1 VAL A 92 1.476 8.507 -2.621 1.00 0.25 C ATOM 1510 CG2 VAL A 92 -0.269 6.877 -1.835 1.00 0.26 C ATOM 0 H VAL A 92 1.202 10.120 -0.129 1.00 0.18 H new ATOM 0 HA VAL A 92 0.536 7.435 0.495 1.00 0.19 H new ATOM 0 HB VAL A 92 -0.231 8.975 -1.467 1.00 0.22 H new ATOM 0 HG11 VAL A 92 0.949 8.586 -3.572 1.00 0.25 H new ATOM 0 HG12 VAL A 92 1.954 9.459 -2.391 1.00 0.25 H new ATOM 0 HG13 VAL A 92 2.235 7.728 -2.691 1.00 0.25 H new ATOM 0 HG21 VAL A 92 -0.758 6.973 -2.804 1.00 0.26 H new ATOM 0 HG22 VAL A 92 0.428 6.040 -1.862 1.00 0.26 H new ATOM 0 HG23 VAL A 92 -1.020 6.699 -1.066 1.00 0.26 H new ATOM 1520 N GLU A 93 3.610 8.070 -0.392 1.00 0.25 N ATOM 1521 CA GLU A 93 4.940 7.477 -0.406 1.00 0.31 C ATOM 1522 C GLU A 93 5.232 6.793 0.917 1.00 0.31 C ATOM 1523 O GLU A 93 5.939 5.784 0.963 1.00 0.33 O ATOM 1524 CB GLU A 93 6.013 8.521 -0.698 1.00 0.39 C ATOM 1525 CG GLU A 93 6.331 8.669 -2.177 1.00 0.71 C ATOM 1526 CD GLU A 93 7.540 9.546 -2.421 1.00 1.14 C ATOM 1527 OE1 GLU A 93 7.416 10.785 -2.294 1.00 1.61 O ATOM 1528 OE2 GLU A 93 8.614 9.009 -2.750 1.00 1.63 O ATOM 0 H GLU A 93 3.596 9.087 -0.465 1.00 0.25 H new ATOM 0 HA GLU A 93 4.960 6.735 -1.204 1.00 0.31 H new ATOM 0 HB2 GLU A 93 5.687 9.485 -0.307 1.00 0.39 H new ATOM 0 HB3 GLU A 93 6.924 8.252 -0.164 1.00 0.39 H new ATOM 0 HG2 GLU A 93 6.507 7.684 -2.609 1.00 0.71 H new ATOM 0 HG3 GLU A 93 5.468 9.093 -2.691 1.00 0.71 H new ATOM 1535 N GLU A 94 4.692 7.343 1.993 1.00 0.31 N ATOM 1536 CA GLU A 94 4.784 6.691 3.288 1.00 0.34 C ATOM 1537 C GLU A 94 3.968 5.401 3.277 1.00 0.29 C ATOM 1538 O GLU A 94 4.348 4.405 3.895 1.00 0.29 O ATOM 1539 CB GLU A 94 4.328 7.633 4.404 1.00 0.42 C ATOM 1540 CG GLU A 94 5.215 8.862 4.528 1.00 0.90 C ATOM 1541 CD GLU A 94 4.869 9.729 5.716 1.00 1.40 C ATOM 1542 OE1 GLU A 94 4.952 9.236 6.859 1.00 1.62 O ATOM 1543 OE2 GLU A 94 4.538 10.917 5.515 1.00 2.09 O ATOM 0 H GLU A 94 4.190 8.231 1.996 1.00 0.31 H new ATOM 0 HA GLU A 94 5.825 6.436 3.485 1.00 0.34 H new ATOM 0 HB2 GLU A 94 3.302 7.947 4.213 1.00 0.42 H new ATOM 0 HB3 GLU A 94 4.325 7.094 5.351 1.00 0.42 H new ATOM 0 HG2 GLU A 94 6.255 8.545 4.608 1.00 0.90 H new ATOM 0 HG3 GLU A 94 5.132 9.455 3.617 1.00 0.90 H new ATOM 1550 N VAL A 95 2.862 5.403 2.538 1.00 0.28 N ATOM 1551 CA VAL A 95 2.104 4.177 2.327 1.00 0.26 C ATOM 1552 C VAL A 95 2.912 3.203 1.481 1.00 0.25 C ATOM 1553 O VAL A 95 2.863 2.007 1.706 1.00 0.26 O ATOM 1554 CB VAL A 95 0.741 4.413 1.648 1.00 0.25 C ATOM 1555 CG1 VAL A 95 -0.002 3.089 1.477 1.00 0.48 C ATOM 1556 CG2 VAL A 95 -0.096 5.399 2.450 1.00 0.62 C ATOM 0 H VAL A 95 2.476 6.229 2.081 1.00 0.28 H new ATOM 0 HA VAL A 95 1.910 3.764 3.317 1.00 0.26 H new ATOM 0 HB VAL A 95 0.916 4.842 0.661 1.00 0.25 H new ATOM 0 HG11 VAL A 95 -0.963 3.271 0.996 1.00 0.48 H new ATOM 0 HG12 VAL A 95 0.592 2.416 0.859 1.00 0.48 H new ATOM 0 HG13 VAL A 95 -0.165 2.635 2.454 1.00 0.48 H new ATOM 0 HG21 VAL A 95 -1.054 5.551 1.953 1.00 0.62 H new ATOM 0 HG22 VAL A 95 -0.265 5.002 3.451 1.00 0.62 H new ATOM 0 HG23 VAL A 95 0.431 6.350 2.521 1.00 0.62 H new ATOM 1566 N LYS A 96 3.655 3.718 0.508 1.00 0.26 N ATOM 1567 CA LYS A 96 4.563 2.885 -0.293 1.00 0.30 C ATOM 1568 C LYS A 96 5.592 2.196 0.608 1.00 0.33 C ATOM 1569 O LYS A 96 6.106 1.128 0.288 1.00 0.39 O ATOM 1570 CB LYS A 96 5.270 3.712 -1.369 1.00 0.36 C ATOM 1571 CG LYS A 96 4.321 4.325 -2.389 1.00 0.88 C ATOM 1572 CD LYS A 96 5.074 5.020 -3.515 1.00 1.20 C ATOM 1573 CE LYS A 96 5.832 4.024 -4.378 1.00 1.69 C ATOM 1574 NZ LYS A 96 6.523 4.688 -5.516 1.00 2.00 N ATOM 0 H LYS A 96 3.651 4.705 0.250 1.00 0.26 H new ATOM 0 HA LYS A 96 3.965 2.123 -0.792 1.00 0.30 H new ATOM 0 HB2 LYS A 96 5.837 4.509 -0.888 1.00 0.36 H new ATOM 0 HB3 LYS A 96 5.988 3.078 -1.889 1.00 0.36 H new ATOM 0 HG2 LYS A 96 3.682 3.546 -2.805 1.00 0.88 H new ATOM 0 HG3 LYS A 96 3.667 5.042 -1.892 1.00 0.88 H new ATOM 0 HD2 LYS A 96 4.371 5.578 -4.134 1.00 1.20 H new ATOM 0 HD3 LYS A 96 5.772 5.744 -3.094 1.00 1.20 H new ATOM 0 HE2 LYS A 96 6.564 3.497 -3.766 1.00 1.69 H new ATOM 0 HE3 LYS A 96 5.139 3.275 -4.761 1.00 1.69 H new ATOM 0 HZ1 LYS A 96 7.028 3.975 -6.080 1.00 2.00 H new ATOM 0 HZ2 LYS A 96 5.822 5.169 -6.115 1.00 2.00 H new ATOM 0 HZ3 LYS A 96 7.203 5.385 -5.150 1.00 2.00 H new ATOM 1588 N LYS A 97 5.911 2.842 1.713 1.00 0.33 N ATOM 1589 CA LYS A 97 6.752 2.245 2.738 1.00 0.39 C ATOM 1590 C LYS A 97 5.955 1.203 3.530 1.00 0.35 C ATOM 1591 O LYS A 97 6.512 0.251 4.078 1.00 0.45 O ATOM 1592 CB LYS A 97 7.279 3.353 3.660 1.00 0.49 C ATOM 1593 CG LYS A 97 7.817 2.872 4.997 1.00 1.09 C ATOM 1594 CD LYS A 97 7.096 3.564 6.144 1.00 1.89 C ATOM 1595 CE LYS A 97 7.659 3.167 7.498 1.00 2.76 C ATOM 1596 NZ LYS A 97 7.052 3.957 8.602 1.00 3.43 N ATOM 0 H LYS A 97 5.598 3.789 1.927 1.00 0.33 H new ATOM 0 HA LYS A 97 7.599 1.738 2.275 1.00 0.39 H new ATOM 0 HB2 LYS A 97 8.070 3.893 3.140 1.00 0.49 H new ATOM 0 HB3 LYS A 97 6.475 4.066 3.844 1.00 0.49 H new ATOM 0 HG2 LYS A 97 7.690 1.793 5.079 1.00 1.09 H new ATOM 0 HG3 LYS A 97 8.887 3.073 5.058 1.00 1.09 H new ATOM 0 HD2 LYS A 97 7.175 4.644 6.022 1.00 1.89 H new ATOM 0 HD3 LYS A 97 6.035 3.316 6.107 1.00 1.89 H new ATOM 0 HE2 LYS A 97 7.479 2.106 7.669 1.00 2.76 H new ATOM 0 HE3 LYS A 97 8.739 3.312 7.499 1.00 2.76 H new ATOM 0 HZ1 LYS A 97 7.462 3.657 9.510 1.00 3.43 H new ATOM 0 HZ2 LYS A 97 7.245 4.968 8.452 1.00 3.43 H new ATOM 0 HZ3 LYS A 97 6.024 3.799 8.617 1.00 3.43 H new ATOM 1610 N LEU A 98 4.640 1.387 3.571 1.00 0.30 N ATOM 1611 CA LEU A 98 3.765 0.512 4.341 1.00 0.33 C ATOM 1612 C LEU A 98 3.263 -0.699 3.547 1.00 0.27 C ATOM 1613 O LEU A 98 3.235 -1.797 4.078 1.00 0.35 O ATOM 1614 CB LEU A 98 2.561 1.301 4.857 1.00 0.45 C ATOM 1615 CG LEU A 98 2.882 2.424 5.844 1.00 0.83 C ATOM 1616 CD1 LEU A 98 1.602 3.098 6.316 1.00 1.70 C ATOM 1617 CD2 LEU A 98 3.677 1.890 7.026 1.00 1.29 C ATOM 0 H LEU A 98 4.156 2.137 3.078 1.00 0.30 H new ATOM 0 HA LEU A 98 4.365 0.132 5.168 1.00 0.33 H new ATOM 0 HB2 LEU A 98 2.037 1.731 4.003 1.00 0.45 H new ATOM 0 HB3 LEU A 98 1.872 0.606 5.337 1.00 0.45 H new ATOM 0 HG LEU A 98 3.494 3.167 5.333 1.00 0.83 H new ATOM 0 HD11 LEU A 98 1.848 3.895 7.018 1.00 1.70 H new ATOM 0 HD12 LEU A 98 1.075 3.519 5.460 1.00 1.70 H new ATOM 0 HD13 LEU A 98 0.965 2.364 6.809 1.00 1.70 H new ATOM 0 HD21 LEU A 98 3.895 2.705 7.716 1.00 1.29 H new ATOM 0 HD22 LEU A 98 3.095 1.125 7.540 1.00 1.29 H new ATOM 0 HD23 LEU A 98 4.612 1.457 6.670 1.00 1.29 H new ATOM 1629 N LEU A 99 2.899 -0.514 2.276 1.00 0.21 N ATOM 1630 CA LEU A 99 2.249 -1.575 1.489 1.00 0.22 C ATOM 1631 C LEU A 99 3.228 -2.680 1.077 1.00 0.25 C ATOM 1632 O LEU A 99 3.030 -3.361 0.074 1.00 0.43 O ATOM 1633 CB LEU A 99 1.478 -1.032 0.253 1.00 0.36 C ATOM 1634 CG LEU A 99 2.221 -0.270 -0.855 1.00 0.38 C ATOM 1635 CD1 LEU A 99 1.720 1.154 -0.937 1.00 1.29 C ATOM 1636 CD2 LEU A 99 3.731 -0.315 -0.719 1.00 1.30 C ATOM 0 H LEU A 99 3.041 0.358 1.767 1.00 0.21 H new ATOM 0 HA LEU A 99 1.510 -2.016 2.158 1.00 0.22 H new ATOM 0 HB2 LEU A 99 0.983 -1.882 -0.217 1.00 0.36 H new ATOM 0 HB3 LEU A 99 0.694 -0.373 0.626 1.00 0.36 H new ATOM 0 HG LEU A 99 1.998 -0.784 -1.790 1.00 0.38 H new ATOM 0 HD11 LEU A 99 2.255 1.683 -1.726 1.00 1.29 H new ATOM 0 HD12 LEU A 99 0.653 1.152 -1.160 1.00 1.29 H new ATOM 0 HD13 LEU A 99 1.891 1.655 0.016 1.00 1.29 H new ATOM 0 HD21 LEU A 99 4.187 0.244 -1.536 1.00 1.30 H new ATOM 0 HD22 LEU A 99 4.024 0.129 0.232 1.00 1.30 H new ATOM 0 HD23 LEU A 99 4.069 -1.351 -0.755 1.00 1.30 H new ATOM 1648 N VAL A 100 4.275 -2.851 1.855 1.00 0.32 N ATOM 1649 CA VAL A 100 5.237 -3.903 1.617 1.00 0.36 C ATOM 1650 C VAL A 100 4.850 -5.139 2.429 1.00 0.37 C ATOM 1651 O VAL A 100 4.576 -5.037 3.628 1.00 0.45 O ATOM 1652 CB VAL A 100 6.656 -3.443 2.006 1.00 0.48 C ATOM 1653 CG1 VAL A 100 7.692 -4.490 1.639 1.00 1.35 C ATOM 1654 CG2 VAL A 100 6.988 -2.112 1.350 1.00 1.29 C ATOM 0 H VAL A 100 4.482 -2.268 2.666 1.00 0.32 H new ATOM 0 HA VAL A 100 5.235 -4.147 0.555 1.00 0.36 H new ATOM 0 HB VAL A 100 6.679 -3.311 3.088 1.00 0.48 H new ATOM 0 HG11 VAL A 100 8.683 -4.137 1.925 1.00 1.35 H new ATOM 0 HG12 VAL A 100 7.472 -5.419 2.164 1.00 1.35 H new ATOM 0 HG13 VAL A 100 7.666 -4.666 0.564 1.00 1.35 H new ATOM 0 HG21 VAL A 100 7.994 -1.805 1.638 1.00 1.29 H new ATOM 0 HG22 VAL A 100 6.937 -2.218 0.266 1.00 1.29 H new ATOM 0 HG23 VAL A 100 6.272 -1.357 1.675 1.00 1.29 H new ATOM 1664 N PRO A 101 4.800 -6.317 1.783 1.00 0.39 N ATOM 1665 CA PRO A 101 4.430 -7.579 2.443 1.00 0.49 C ATOM 1666 C PRO A 101 5.351 -7.925 3.610 1.00 0.65 C ATOM 1667 O PRO A 101 4.965 -8.662 4.518 1.00 0.88 O ATOM 1668 CB PRO A 101 4.563 -8.625 1.329 1.00 0.64 C ATOM 1669 CG PRO A 101 5.409 -7.977 0.289 1.00 0.60 C ATOM 1670 CD PRO A 101 5.091 -6.514 0.357 1.00 0.45 C ATOM 0 HA PRO A 101 3.432 -7.525 2.878 1.00 0.49 H new ATOM 0 HB2 PRO A 101 5.025 -9.540 1.700 1.00 0.64 H new ATOM 0 HB3 PRO A 101 3.588 -8.901 0.928 1.00 0.64 H new ATOM 0 HG2 PRO A 101 6.467 -8.156 0.478 1.00 0.60 H new ATOM 0 HG3 PRO A 101 5.190 -8.379 -0.700 1.00 0.60 H new ATOM 0 HD2 PRO A 101 5.929 -5.901 0.026 1.00 0.45 H new ATOM 0 HD3 PRO A 101 4.238 -6.255 -0.271 1.00 0.45 H new ATOM 1735 N ASP A 107 13.134 -4.499 1.001 1.00 9.76 N ATOM 1736 CA ASP A 107 12.767 -4.257 -0.390 1.00 10.43 C ATOM 1737 C ASP A 107 13.637 -3.164 -1.000 1.00 10.48 C ATOM 1738 O ASP A 107 14.362 -3.402 -1.967 1.00 11.15 O ATOM 1739 CB ASP A 107 11.270 -3.907 -0.504 1.00 10.67 C ATOM 1740 CG ASP A 107 10.886 -2.615 0.200 1.00 11.41 C ATOM 1741 OD1 ASP A 107 11.392 -2.365 1.317 1.00 11.98 O ATOM 1742 OD2 ASP A 107 10.083 -1.844 -0.368 1.00 11.57 O ATOM 0 HA ASP A 107 12.942 -5.173 -0.954 1.00 10.43 H new ATOM 0 HB2 ASP A 107 11.004 -3.828 -1.558 1.00 10.67 H new ATOM 0 HB3 ASP A 107 10.682 -4.725 -0.087 1.00 10.67 H new ATOM 1747 N SER A 108 13.600 -1.987 -0.405 1.00 9.96 N ATOM 1748 CA SER A 108 14.334 -0.842 -0.910 1.00 10.24 C ATOM 1749 C SER A 108 15.840 -1.031 -0.721 1.00 10.41 C ATOM 1750 O SER A 108 16.651 -0.413 -1.409 1.00 11.07 O ATOM 1751 CB SER A 108 13.849 0.416 -0.192 1.00 9.88 C ATOM 1752 OG SER A 108 14.449 1.588 -0.719 1.00 10.00 O ATOM 0 H SER A 108 13.062 -1.798 0.440 1.00 9.96 H new ATOM 0 HA SER A 108 14.151 -0.741 -1.980 1.00 10.24 H new ATOM 0 HB2 SER A 108 12.765 0.491 -0.282 1.00 9.88 H new ATOM 0 HB3 SER A 108 14.076 0.338 0.871 1.00 9.88 H new ATOM 0 HG SER A 108 14.316 1.615 -1.690 1.00 10.00 H new ATOM 1758 N LEU A 109 16.208 -1.902 0.202 1.00 10.02 N ATOM 1759 CA LEU A 109 17.612 -2.158 0.489 1.00 10.41 C ATOM 1760 C LEU A 109 18.195 -3.201 -0.463 1.00 11.26 C ATOM 1761 O LEU A 109 19.207 -2.958 -1.116 1.00 11.94 O ATOM 1762 CB LEU A 109 17.777 -2.620 1.937 1.00 10.12 C ATOM 1763 CG LEU A 109 17.270 -1.640 2.992 1.00 9.48 C ATOM 1764 CD1 LEU A 109 17.429 -2.234 4.381 1.00 9.47 C ATOM 1765 CD2 LEU A 109 18.010 -0.314 2.891 1.00 9.65 C ATOM 0 H LEU A 109 15.555 -2.445 0.767 1.00 10.02 H new ATOM 0 HA LEU A 109 18.159 -1.226 0.343 1.00 10.41 H new ATOM 0 HB2 LEU A 109 17.252 -3.567 2.062 1.00 10.12 H new ATOM 0 HB3 LEU A 109 18.834 -2.814 2.122 1.00 10.12 H new ATOM 0 HG LEU A 109 16.211 -1.455 2.812 1.00 9.48 H new ATOM 0 HD11 LEU A 109 17.064 -1.525 5.124 1.00 9.47 H new ATOM 0 HD12 LEU A 109 16.856 -3.159 4.449 1.00 9.47 H new ATOM 0 HD13 LEU A 109 18.482 -2.445 4.568 1.00 9.47 H new ATOM 0 HD21 LEU A 109 17.634 0.371 3.651 1.00 9.65 H new ATOM 0 HD22 LEU A 109 19.076 -0.480 3.047 1.00 9.65 H new ATOM 0 HD23 LEU A 109 17.850 0.118 1.903 1.00 9.65 H new ATOM 1777 N LYS A 110 17.539 -4.352 -0.554 1.00 11.40 N ATOM 1778 CA LYS A 110 18.071 -5.480 -1.310 1.00 12.34 C ATOM 1779 C LYS A 110 17.863 -5.302 -2.812 1.00 12.93 C ATOM 1780 O LYS A 110 18.820 -5.305 -3.587 1.00 13.70 O ATOM 1781 CB LYS A 110 17.400 -6.780 -0.862 1.00 12.53 C ATOM 1782 CG LYS A 110 18.244 -8.021 -1.106 1.00 12.99 C ATOM 1783 CD LYS A 110 19.441 -8.056 -0.171 1.00 13.18 C ATOM 1784 CE LYS A 110 20.271 -9.316 -0.353 1.00 13.26 C ATOM 1785 NZ LYS A 110 20.998 -9.331 -1.648 1.00 13.83 N ATOM 0 H LYS A 110 16.636 -4.529 -0.113 1.00 11.40 H new ATOM 0 HA LYS A 110 19.142 -5.526 -1.113 1.00 12.34 H new ATOM 0 HB2 LYS A 110 17.170 -6.712 0.201 1.00 12.53 H new ATOM 0 HB3 LYS A 110 16.451 -6.888 -1.387 1.00 12.53 H new ATOM 0 HG2 LYS A 110 17.636 -8.914 -0.958 1.00 12.99 H new ATOM 0 HG3 LYS A 110 18.586 -8.035 -2.141 1.00 12.99 H new ATOM 0 HD2 LYS A 110 20.066 -7.181 -0.350 1.00 13.18 H new ATOM 0 HD3 LYS A 110 19.096 -7.995 0.861 1.00 13.18 H new ATOM 0 HE2 LYS A 110 20.988 -9.397 0.464 1.00 13.26 H new ATOM 0 HE3 LYS A 110 19.620 -10.188 -0.294 1.00 13.26 H new ATOM 0 HZ1 LYS A 110 21.563 -10.201 -1.719 1.00 13.83 H new ATOM 0 HZ2 LYS A 110 20.314 -9.297 -2.431 1.00 13.83 H new ATOM 0 HZ3 LYS A 110 21.627 -8.505 -1.703 1.00 13.83 H new ATOM 1799 N LYS A 111 16.605 -5.136 -3.212 1.00 12.70 N ATOM 1800 CA LYS A 111 16.241 -5.127 -4.626 1.00 13.45 C ATOM 1801 C LYS A 111 16.890 -3.954 -5.352 1.00 13.69 C ATOM 1802 O LYS A 111 17.348 -4.086 -6.490 1.00 14.58 O ATOM 1803 CB LYS A 111 14.717 -5.050 -4.788 1.00 13.35 C ATOM 1804 CG LYS A 111 13.934 -6.005 -3.894 1.00 13.65 C ATOM 1805 CD LYS A 111 14.268 -7.464 -4.158 1.00 14.12 C ATOM 1806 CE LYS A 111 13.377 -8.382 -3.330 1.00 14.42 C ATOM 1807 NZ LYS A 111 13.733 -9.818 -3.493 1.00 14.52 N ATOM 0 H LYS A 111 15.819 -5.006 -2.575 1.00 12.70 H new ATOM 0 HA LYS A 111 16.604 -6.055 -5.067 1.00 13.45 H new ATOM 0 HB2 LYS A 111 14.394 -4.030 -4.579 1.00 13.35 H new ATOM 0 HB3 LYS A 111 14.465 -5.257 -5.828 1.00 13.35 H new ATOM 0 HG2 LYS A 111 14.143 -5.772 -2.850 1.00 13.65 H new ATOM 0 HG3 LYS A 111 12.867 -5.847 -4.048 1.00 13.65 H new ATOM 0 HD2 LYS A 111 14.140 -7.685 -5.218 1.00 14.12 H new ATOM 0 HD3 LYS A 111 15.314 -7.651 -3.917 1.00 14.12 H new ATOM 0 HE2 LYS A 111 13.456 -8.108 -2.278 1.00 14.42 H new ATOM 0 HE3 LYS A 111 12.337 -8.233 -3.621 1.00 14.42 H new ATOM 0 HZ1 LYS A 111 13.099 -10.401 -2.910 1.00 14.52 H new ATOM 0 HZ2 LYS A 111 13.632 -10.089 -4.492 1.00 14.52 H new ATOM 0 HZ3 LYS A 111 14.717 -9.968 -3.191 1.00 14.52 H new ATOM 1821 N MET A 112 16.942 -2.809 -4.682 1.00 13.03 N ATOM 1822 CA MET A 112 17.490 -1.599 -5.281 1.00 13.43 C ATOM 1823 C MET A 112 19.005 -1.663 -5.403 1.00 13.93 C ATOM 1824 O MET A 112 19.583 -1.028 -6.282 1.00 14.71 O ATOM 1825 CB MET A 112 17.075 -0.359 -4.490 1.00 12.78 C ATOM 1826 CG MET A 112 15.629 0.049 -4.723 1.00 12.65 C ATOM 1827 SD MET A 112 15.126 1.453 -3.709 1.00 12.08 S ATOM 1828 CE MET A 112 16.239 2.724 -4.307 1.00 12.60 C ATOM 0 H MET A 112 16.611 -2.693 -3.724 1.00 13.03 H new ATOM 0 HA MET A 112 17.077 -1.527 -6.287 1.00 13.43 H new ATOM 0 HB2 MET A 112 17.225 -0.548 -3.427 1.00 12.78 H new ATOM 0 HB3 MET A 112 17.727 0.471 -4.761 1.00 12.78 H new ATOM 0 HG2 MET A 112 15.492 0.299 -5.775 1.00 12.65 H new ATOM 0 HG3 MET A 112 14.978 -0.799 -4.510 1.00 12.65 H new ATOM 0 HE1 MET A 112 15.865 3.704 -4.010 1.00 12.60 H new ATOM 0 HE2 MET A 112 17.230 2.569 -3.881 1.00 12.60 H new ATOM 0 HE3 MET A 112 16.299 2.673 -5.394 1.00 12.60 H new ATOM 1838 N LYS A 113 19.651 -2.416 -4.527 1.00 13.65 N ATOM 1839 CA LYS A 113 21.100 -2.563 -4.590 1.00 14.28 C ATOM 1840 C LYS A 113 21.482 -3.451 -5.769 1.00 15.23 C ATOM 1841 O LYS A 113 22.473 -3.211 -6.445 1.00 16.03 O ATOM 1842 CB LYS A 113 21.630 -3.161 -3.277 1.00 13.94 C ATOM 1843 CG LYS A 113 23.080 -2.802 -2.933 1.00 14.60 C ATOM 1844 CD LYS A 113 24.107 -3.573 -3.757 1.00 15.23 C ATOM 1845 CE LYS A 113 24.738 -2.711 -4.848 1.00 16.15 C ATOM 1846 NZ LYS A 113 25.371 -1.482 -4.299 1.00 16.72 N ATOM 0 H LYS A 113 19.202 -2.931 -3.770 1.00 13.65 H new ATOM 0 HA LYS A 113 21.550 -1.580 -4.730 1.00 14.28 H new ATOM 0 HB2 LYS A 113 20.988 -2.830 -2.461 1.00 13.94 H new ATOM 0 HB3 LYS A 113 21.544 -4.246 -3.330 1.00 13.94 H new ATOM 0 HG2 LYS A 113 23.229 -1.733 -3.089 1.00 14.60 H new ATOM 0 HG3 LYS A 113 23.254 -2.997 -1.875 1.00 14.60 H new ATOM 0 HD2 LYS A 113 24.889 -3.951 -3.098 1.00 15.23 H new ATOM 0 HD3 LYS A 113 23.628 -4.439 -4.213 1.00 15.23 H new ATOM 0 HE2 LYS A 113 25.487 -3.295 -5.382 1.00 16.15 H new ATOM 0 HE3 LYS A 113 23.975 -2.431 -5.574 1.00 16.15 H new ATOM 0 HZ1 LYS A 113 26.194 -1.225 -4.881 1.00 16.72 H new ATOM 0 HZ2 LYS A 113 24.683 -0.703 -4.310 1.00 16.72 H new ATOM 0 HZ3 LYS A 113 25.680 -1.658 -3.322 1.00 16.72 H new ATOM 1860 N LEU A 114 20.674 -4.460 -6.045 1.00 15.27 N ATOM 1861 CA LEU A 114 21.010 -5.407 -7.079 1.00 16.25 C ATOM 1862 C LEU A 114 20.416 -5.014 -8.433 1.00 16.89 C ATOM 1863 O LEU A 114 21.143 -4.694 -9.372 1.00 17.72 O ATOM 1864 CB LEU A 114 20.524 -6.795 -6.673 1.00 16.24 C ATOM 1865 CG LEU A 114 20.925 -7.919 -7.619 1.00 16.63 C ATOM 1866 CD1 LEU A 114 22.438 -7.979 -7.742 1.00 17.08 C ATOM 1867 CD2 LEU A 114 20.368 -9.240 -7.121 1.00 16.95 C ATOM 0 H LEU A 114 19.790 -4.639 -5.569 1.00 15.27 H new ATOM 0 HA LEU A 114 22.094 -5.412 -7.192 1.00 16.25 H new ATOM 0 HB2 LEU A 114 20.909 -7.022 -5.679 1.00 16.24 H new ATOM 0 HB3 LEU A 114 19.437 -6.775 -6.597 1.00 16.24 H new ATOM 0 HG LEU A 114 20.509 -7.723 -8.607 1.00 16.63 H new ATOM 0 HD11 LEU A 114 22.716 -8.786 -8.420 1.00 17.08 H new ATOM 0 HD12 LEU A 114 22.809 -7.032 -8.133 1.00 17.08 H new ATOM 0 HD13 LEU A 114 22.876 -8.163 -6.761 1.00 17.08 H new ATOM 0 HD21 LEU A 114 20.660 -10.038 -7.804 1.00 16.95 H new ATOM 0 HD22 LEU A 114 20.763 -9.450 -6.127 1.00 16.95 H new ATOM 0 HD23 LEU A 114 19.281 -9.182 -7.074 1.00 16.95 H new ATOM 1879 N MET A 115 19.093 -5.018 -8.526 1.00 16.60 N ATOM 1880 CA MET A 115 18.425 -4.814 -9.803 1.00 17.37 C ATOM 1881 C MET A 115 18.247 -3.333 -10.112 1.00 17.30 C ATOM 1882 O MET A 115 18.628 -2.871 -11.186 1.00 18.16 O ATOM 1883 CB MET A 115 17.067 -5.519 -9.818 1.00 17.40 C ATOM 1884 CG MET A 115 16.334 -5.386 -11.145 1.00 18.36 C ATOM 1885 SD MET A 115 14.777 -6.296 -11.182 1.00 18.37 S ATOM 1886 CE MET A 115 13.872 -5.476 -9.871 1.00 17.17 C ATOM 0 H MET A 115 18.464 -5.160 -7.736 1.00 16.60 H new ATOM 0 HA MET A 115 19.060 -5.246 -10.577 1.00 17.37 H new ATOM 0 HB2 MET A 115 17.212 -6.576 -9.595 1.00 17.40 H new ATOM 0 HB3 MET A 115 16.444 -5.108 -9.024 1.00 17.40 H new ATOM 0 HG2 MET A 115 16.138 -4.332 -11.342 1.00 18.36 H new ATOM 0 HG3 MET A 115 16.978 -5.745 -11.948 1.00 18.36 H new ATOM 0 HE1 MET A 115 12.805 -5.510 -10.089 1.00 17.17 H new ATOM 0 HE2 MET A 115 14.065 -5.981 -8.925 1.00 17.17 H new ATOM 0 HE3 MET A 115 14.195 -4.437 -9.800 1.00 17.17 H new ATOM 1896 N GLU A 116 17.697 -2.590 -9.160 1.00 16.38 N ATOM 1897 CA GLU A 116 17.397 -1.175 -9.371 1.00 16.41 C ATOM 1898 C GLU A 116 18.671 -0.348 -9.514 1.00 16.77 C ATOM 1899 O GLU A 116 18.629 0.805 -9.942 1.00 17.19 O ATOM 1900 CB GLU A 116 16.553 -0.638 -8.218 1.00 15.41 C ATOM 1901 CG GLU A 116 15.216 -1.342 -8.050 1.00 15.12 C ATOM 1902 CD GLU A 116 14.247 -1.025 -9.170 1.00 15.91 C ATOM 1903 OE1 GLU A 116 13.678 0.082 -9.182 1.00 16.29 O ATOM 1904 OE2 GLU A 116 14.058 -1.892 -10.049 1.00 16.27 O ATOM 0 H GLU A 116 17.449 -2.941 -8.235 1.00 16.38 H new ATOM 0 HA GLU A 116 16.835 -1.089 -10.301 1.00 16.41 H new ATOM 0 HB2 GLU A 116 17.120 -0.732 -7.292 1.00 15.41 H new ATOM 0 HB3 GLU A 116 16.375 0.426 -8.376 1.00 15.41 H new ATOM 0 HG2 GLU A 116 15.379 -2.419 -8.009 1.00 15.12 H new ATOM 0 HG3 GLU A 116 14.773 -1.051 -7.098 1.00 15.12 H new ATOM 1911 N LEU A 117 19.795 -0.935 -9.133 1.00 16.72 N ATOM 1912 CA LEU A 117 21.089 -0.267 -9.224 1.00 17.21 C ATOM 1913 C LEU A 117 21.499 -0.134 -10.687 1.00 18.39 C ATOM 1914 O LEU A 117 21.697 0.973 -11.194 1.00 18.98 O ATOM 1915 CB LEU A 117 22.136 -1.072 -8.439 1.00 17.03 C ATOM 1916 CG LEU A 117 23.411 -0.327 -8.010 1.00 17.18 C ATOM 1917 CD1 LEU A 117 24.324 -0.053 -9.197 1.00 18.26 C ATOM 1918 CD2 LEU A 117 23.056 0.973 -7.300 1.00 16.60 C ATOM 0 H LEU A 117 19.839 -1.881 -8.754 1.00 16.72 H new ATOM 0 HA LEU A 117 21.018 0.732 -8.793 1.00 17.21 H new ATOM 0 HB2 LEU A 117 21.657 -1.468 -7.543 1.00 17.03 H new ATOM 0 HB3 LEU A 117 22.432 -1.927 -9.047 1.00 17.03 H new ATOM 0 HG LEU A 117 23.953 -0.970 -7.316 1.00 17.18 H new ATOM 0 HD11 LEU A 117 25.215 0.475 -8.857 1.00 18.26 H new ATOM 0 HD12 LEU A 117 24.615 -0.997 -9.658 1.00 18.26 H new ATOM 0 HD13 LEU A 117 23.796 0.560 -9.928 1.00 18.26 H new ATOM 0 HD21 LEU A 117 23.970 1.487 -7.003 1.00 16.60 H new ATOM 0 HD22 LEU A 117 22.483 1.611 -7.973 1.00 16.60 H new ATOM 0 HD23 LEU A 117 22.460 0.753 -6.414 1.00 16.60 H new ATOM 1930 N ALA A 118 21.608 -1.279 -11.350 1.00 18.81 N ATOM 1931 CA ALA A 118 21.968 -1.348 -12.759 1.00 19.94 C ATOM 1932 C ALA A 118 21.906 -2.794 -13.231 1.00 20.25 C ATOM 1933 O ALA A 118 22.469 -3.148 -14.266 1.00 20.88 O ATOM 1934 CB ALA A 118 23.361 -0.776 -12.998 1.00 20.42 C ATOM 0 H ALA A 118 21.448 -2.191 -10.922 1.00 18.81 H new ATOM 0 HA ALA A 118 21.257 -0.749 -13.328 1.00 19.94 H new ATOM 0 HB1 ALA A 118 23.604 -0.840 -14.059 1.00 20.42 H new ATOM 0 HB2 ALA A 118 23.385 0.267 -12.683 1.00 20.42 H new ATOM 0 HB3 ALA A 118 24.092 -1.345 -12.423 1.00 20.42 H new ATOM 1940 N ILE A 119 21.193 -3.620 -12.459 1.00 19.90 N ATOM 1941 CA ILE A 119 21.119 -5.061 -12.699 1.00 20.25 C ATOM 1942 C ILE A 119 22.534 -5.661 -12.733 1.00 21.12 C ATOM 1943 O ILE A 119 23.486 -5.056 -12.230 1.00 21.13 O ATOM 1944 CB ILE A 119 20.354 -5.386 -14.013 1.00 20.40 C ATOM 1945 CG1 ILE A 119 19.230 -4.367 -14.243 1.00 20.16 C ATOM 1946 CG2 ILE A 119 19.760 -6.792 -13.943 1.00 20.03 C ATOM 1947 CD1 ILE A 119 18.510 -4.530 -15.565 1.00 20.59 C ATOM 0 H ILE A 119 20.653 -3.308 -11.652 1.00 19.90 H new ATOM 0 HA ILE A 119 20.560 -5.511 -11.879 1.00 20.25 H new ATOM 0 HB ILE A 119 21.059 -5.333 -14.843 1.00 20.40 H new ATOM 0 HG12 ILE A 119 18.505 -4.453 -13.434 1.00 20.16 H new ATOM 0 HG13 ILE A 119 19.649 -3.362 -14.191 1.00 20.16 H new ATOM 0 HG21 ILE A 119 19.227 -7.008 -14.869 1.00 20.03 H new ATOM 0 HG22 ILE A 119 20.561 -7.519 -13.807 1.00 20.03 H new ATOM 0 HG23 ILE A 119 19.068 -6.853 -13.103 1.00 20.03 H new ATOM 0 HD11 ILE A 119 17.731 -3.773 -15.651 1.00 20.59 H new ATOM 0 HD12 ILE A 119 19.221 -4.414 -16.383 1.00 20.59 H new ATOM 0 HD13 ILE A 119 18.059 -5.521 -15.614 1.00 20.59 H new ATOM 1959 N LEU A 120 22.684 -6.843 -13.309 1.00 21.92 N ATOM 1960 CA LEU A 120 23.992 -7.469 -13.402 1.00 22.85 C ATOM 1961 C LEU A 120 24.734 -6.938 -14.617 1.00 23.12 C ATOM 1962 O LEU A 120 24.751 -7.563 -15.675 1.00 23.32 O ATOM 1963 CB LEU A 120 23.892 -9.001 -13.454 1.00 23.66 C ATOM 1964 CG LEU A 120 23.498 -9.689 -12.139 1.00 23.95 C ATOM 1965 CD1 LEU A 120 24.391 -9.224 -10.998 1.00 23.98 C ATOM 1966 CD2 LEU A 120 22.033 -9.444 -11.808 1.00 23.52 C ATOM 0 H LEU A 120 21.922 -7.385 -13.716 1.00 21.92 H new ATOM 0 HA LEU A 120 24.550 -7.215 -12.501 1.00 22.85 H new ATOM 0 HB2 LEU A 120 23.163 -9.273 -14.217 1.00 23.66 H new ATOM 0 HB3 LEU A 120 24.854 -9.399 -13.776 1.00 23.66 H new ATOM 0 HG LEU A 120 23.638 -10.762 -12.269 1.00 23.95 H new ATOM 0 HD11 LEU A 120 24.094 -9.724 -10.076 1.00 23.98 H new ATOM 0 HD12 LEU A 120 25.429 -9.468 -11.225 1.00 23.98 H new ATOM 0 HD13 LEU A 120 24.291 -8.146 -10.874 1.00 23.98 H new ATOM 0 HD21 LEU A 120 21.783 -9.943 -10.872 1.00 23.52 H new ATOM 0 HD22 LEU A 120 21.857 -8.373 -11.706 1.00 23.52 H new ATOM 0 HD23 LEU A 120 21.408 -9.840 -12.608 1.00 23.52 H new ATOM 1978 N ASN A 121 25.320 -5.762 -14.453 1.00 23.21 N ATOM 1979 CA ASN A 121 26.043 -5.100 -15.532 1.00 23.56 C ATOM 1980 C ASN A 121 27.513 -5.505 -15.518 1.00 24.31 C ATOM 1981 O ASN A 121 28.303 -5.052 -16.344 1.00 24.76 O ATOM 1982 CB ASN A 121 25.915 -3.575 -15.398 1.00 23.18 C ATOM 1983 CG ASN A 121 26.663 -3.021 -14.197 1.00 23.09 C ATOM 1984 OD1 ASN A 121 27.820 -2.616 -14.302 1.00 23.47 O ATOM 1985 ND2 ASN A 121 26.010 -2.994 -13.043 1.00 22.69 N ATOM 0 H ASN A 121 25.309 -5.241 -13.576 1.00 23.21 H new ATOM 0 HA ASN A 121 25.606 -5.410 -16.481 1.00 23.56 H new ATOM 0 HB2 ASN A 121 26.294 -3.103 -16.305 1.00 23.18 H new ATOM 0 HB3 ASN A 121 24.861 -3.310 -15.317 1.00 23.18 H new ATOM 0 HD21 ASN A 121 26.467 -2.629 -12.207 1.00 22.69 H new ATOM 0 HD22 ASN A 121 25.051 -3.338 -12.991 1.00 22.69 H new