USER MOD reduce.3.24.130724 H: found=0, std=0, add=1120, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 1120 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 121 ASN : amide:sc= 0.71 K(o=1,f=-5.4!) USER MOD Set 1.2: A 123 THR OG1 : rot 83:sc= 0.301 USER MOD Set 2.1: A 48 SER OG : rot 175:sc= 0.708 USER MOD Set 2.2: A 66 HIS : no HE2:sc= -1.46 K(o=-0.75,f=-7.7!) USER MOD Set 3.1: A 7 TYR OH : rot 180:sc= 0 USER MOD Set 3.2: A 72 HIS : no HE2:sc= -3.79! C(o=-3.8!,f=-8.7!) USER MOD Single : A 1 GLN :FLIP amide:sc= 0 F(o=-1.4!,f=0) USER MOD Single : A 1 GLN N :NH3+ -116:sc= 0.182 (180deg=-0.0675) USER MOD Single : A 3 GLN :FLIP amide:sc= -0.899 F(o=-2.3,f=-0.9) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ 178:sc= 1.14 (180deg=1.06) USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 ASN : amide:sc= 0.0297 X(o=0.03,f=-0.38) 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= -0.709 X(o=-0.71,f=-0.22) USER MOD Single : A 37 THR OG1 : rot -48:sc= 0.71 USER MOD Single : A 39 CYS SG : rot -53:sc= -10.2! USER MOD Single : A 40 LYS NZ :NH3+ -171:sc= 0.102 (180deg=0.0879) USER MOD Single : A 42 MET CE :methyl 154:sc= 0 (180deg=-0.0653) USER MOD Single : A 46 LYS NZ :NH3+ -137:sc= -1.79! (180deg=-4.54!) USER MOD Single : A 49 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 52 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.0725) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ 155:sc= 1.23 (180deg=1.17) USER MOD Single : A 57 GLN : amide:sc= 0.529 K(o=0.53,f=-0.42) USER MOD Single : A 58 ASN : amide:sc= -0.132 X(o=-0.13,f=-0.14) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 ASN :FLIP amide:sc= -0.437 F(o=-6.2!,f=-0.44) USER MOD Single : A 68 ASN :FLIP amide:sc= -0.659 F(o=-1.7,f=-0.66) USER MOD Single : A 76 THR OG1 : rot 87:sc= 0.773 USER MOD Single : A 81 GLN :FLIP amide:sc= -0.351 F(o=-1.1,f=-0.35) USER MOD Single : A 82 ASN : amide:sc= -0.349 X(o=-0.35,f=-0.025) USER MOD Single : A 87 LYS NZ :NH3+ -152:sc= 0.135 (180deg=0.00204) USER MOD Single : A 89 LYS NZ :NH3+ -131:sc= 1.26 (180deg=0.711) USER MOD Single : A 96 LYS NZ :NH3+ -178:sc= 1.25 (180deg=1.18) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 SER OG : rot -68:sc= 0.403 USER MOD Single : A 110 LYS NZ :NH3+ 165:sc= -0.0314 (180deg=-0.256) USER MOD Single : A 111 LYS NZ :NH3+ -141:sc= 1.3 (180deg=1.06) USER MOD Single : A 112 MET CE :methyl 158:sc= -0.189 (180deg=-0.835) USER MOD Single : A 113 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 115 MET CE :methyl -110:sc= -0.524 (180deg=-1.63) USER MOD Single : A 124 TYR OH : rot 180:sc= 0 USER MOD Single : A 128 ASN : amide:sc= 0 K(o=0,f=-0.76) USER MOD Single : A 130 LYS NZ :NH3+ 168:sc= 0.00776 (180deg=-0.218) USER MOD Single : A 131 SER OG : rot 1:sc= 1.13 USER MOD ----------------------------------------------------------------- ATOM 1 N GLN A 1 -11.517 14.425 -11.629 1.00 0.76 N ATOM 2 CA GLN A 1 -10.555 14.386 -10.507 1.00 0.55 C ATOM 3 C GLN A 1 -9.296 13.669 -10.952 1.00 0.49 C ATOM 4 O GLN A 1 -9.235 13.152 -12.064 1.00 0.60 O ATOM 5 CB GLN A 1 -11.171 13.679 -9.292 1.00 0.52 C ATOM 6 CG GLN A 1 -11.355 12.182 -9.466 1.00 0.69 C ATOM 7 CD GLN A 1 -12.587 11.664 -8.756 1.00 0.71 C ATOM 8 OE1 GLN A 1 -12.431 11.281 -7.503 1.00 1.40 O flip ATOM 9 NE2 GLN A 1 -13.672 11.610 -9.333 1.00 0.88 N flip ATOM 0 H1 GLN A 1 -11.681 15.412 -11.912 1.00 0.76 H new ATOM 0 H2 GLN A 1 -11.131 13.893 -12.435 1.00 0.76 H new ATOM 0 H3 GLN A 1 -12.416 13.997 -11.330 1.00 0.76 H new ATOM 0 HA GLN A 1 -10.306 15.406 -10.214 1.00 0.55 H new ATOM 0 HB2 GLN A 1 -10.537 13.857 -8.423 1.00 0.52 H new ATOM 0 HB3 GLN A 1 -12.140 14.130 -9.077 1.00 0.52 H new ATOM 0 HG2 GLN A 1 -11.427 11.949 -10.528 1.00 0.69 H new ATOM 0 HG3 GLN A 1 -10.475 11.664 -9.085 1.00 0.69 H new ATOM 0 HE21 GLN A 1 -13.750 11.916 -10.303 1.00 0.88 H new ATOM 0 HE22 GLN A 1 -14.494 11.259 -8.842 1.00 0.88 H new ATOM 20 N LEU A 2 -8.296 13.635 -10.096 1.00 0.39 N ATOM 21 CA LEU A 2 -7.078 12.953 -10.413 1.00 0.36 C ATOM 22 C LEU A 2 -6.901 11.793 -9.451 1.00 0.26 C ATOM 23 O LEU A 2 -7.085 11.948 -8.242 1.00 0.27 O ATOM 24 CB LEU A 2 -5.917 13.948 -10.326 1.00 0.48 C ATOM 25 CG LEU A 2 -4.581 13.365 -9.885 1.00 0.85 C ATOM 26 CD1 LEU A 2 -4.006 12.437 -10.948 1.00 1.45 C ATOM 27 CD2 LEU A 2 -3.596 14.474 -9.559 1.00 1.32 C ATOM 0 H LEU A 2 -8.312 14.075 -9.176 1.00 0.39 H new ATOM 0 HA LEU A 2 -7.104 12.551 -11.426 1.00 0.36 H new ATOM 0 HB2 LEU A 2 -5.786 14.412 -11.304 1.00 0.48 H new ATOM 0 HB3 LEU A 2 -6.194 14.741 -9.632 1.00 0.48 H new ATOM 0 HG LEU A 2 -4.754 12.777 -8.984 1.00 0.85 H new ATOM 0 HD11 LEU A 2 -3.052 12.037 -10.604 1.00 1.45 H new ATOM 0 HD12 LEU A 2 -4.700 11.616 -11.129 1.00 1.45 H new ATOM 0 HD13 LEU A 2 -3.854 12.993 -11.873 1.00 1.45 H new ATOM 0 HD21 LEU A 2 -2.647 14.038 -9.246 1.00 1.32 H new ATOM 0 HD22 LEU A 2 -3.437 15.091 -10.443 1.00 1.32 H new ATOM 0 HD23 LEU A 2 -3.995 15.090 -8.753 1.00 1.32 H new ATOM 39 N GLN A 3 -6.572 10.632 -9.988 1.00 0.24 N ATOM 40 CA GLN A 3 -6.339 9.463 -9.163 1.00 0.22 C ATOM 41 C GLN A 3 -5.024 8.817 -9.571 1.00 0.22 C ATOM 42 O GLN A 3 -4.764 8.633 -10.760 1.00 0.25 O ATOM 43 CB GLN A 3 -7.469 8.427 -9.314 1.00 0.24 C ATOM 44 CG GLN A 3 -8.854 9.003 -9.570 1.00 0.26 C ATOM 45 CD GLN A 3 -9.952 7.964 -9.398 1.00 0.26 C ATOM 46 OE1 GLN A 3 -9.625 6.699 -9.633 1.00 0.33 O flip ATOM 47 NE2 GLN A 3 -11.084 8.295 -9.042 1.00 0.25 N flip ATOM 0 H GLN A 3 -6.461 10.475 -10.990 1.00 0.24 H new ATOM 0 HA GLN A 3 -6.306 9.787 -8.123 1.00 0.22 H new ATOM 0 HB2 GLN A 3 -7.216 7.756 -10.135 1.00 0.24 H new ATOM 0 HB3 GLN A 3 -7.508 7.822 -8.408 1.00 0.24 H new ATOM 0 HG2 GLN A 3 -9.032 9.833 -8.886 1.00 0.26 H new ATOM 0 HG3 GLN A 3 -8.895 9.408 -10.581 1.00 0.26 H new ATOM 0 HE21 GLN A 3 -11.298 9.278 -8.871 1.00 0.25 H new ATOM 0 HE22 GLN A 3 -11.807 7.587 -8.918 1.00 0.25 H new ATOM 56 N GLU A 4 -4.198 8.481 -8.598 1.00 0.22 N ATOM 57 CA GLU A 4 -3.005 7.699 -8.868 1.00 0.25 C ATOM 58 C GLU A 4 -3.101 6.402 -8.091 1.00 0.23 C ATOM 59 O GLU A 4 -3.179 6.409 -6.861 1.00 0.27 O ATOM 60 CB GLU A 4 -1.735 8.464 -8.481 1.00 0.30 C ATOM 61 CG GLU A 4 -1.880 9.969 -8.618 1.00 0.28 C ATOM 62 CD GLU A 4 -0.550 10.680 -8.778 1.00 0.51 C ATOM 63 OE1 GLU A 4 -0.034 10.754 -9.909 1.00 0.88 O ATOM 64 OE2 GLU A 4 -0.012 11.176 -7.763 1.00 0.75 O ATOM 0 H GLU A 4 -4.329 8.735 -7.619 1.00 0.22 H new ATOM 0 HA GLU A 4 -2.942 7.495 -9.937 1.00 0.25 H new ATOM 0 HB2 GLU A 4 -1.473 8.223 -7.451 1.00 0.30 H new ATOM 0 HB3 GLU A 4 -0.910 8.126 -9.108 1.00 0.30 H new ATOM 0 HG2 GLU A 4 -2.510 10.191 -9.479 1.00 0.28 H new ATOM 0 HG3 GLU A 4 -2.392 10.361 -7.739 1.00 0.28 H new ATOM 71 N LYS A 5 -3.112 5.289 -8.800 1.00 0.24 N ATOM 72 CA LYS A 5 -3.364 4.014 -8.162 1.00 0.25 C ATOM 73 C LYS A 5 -2.077 3.241 -8.024 1.00 0.25 C ATOM 74 O LYS A 5 -1.435 2.883 -9.011 1.00 0.30 O ATOM 75 CB LYS A 5 -4.379 3.162 -8.927 1.00 0.30 C ATOM 76 CG LYS A 5 -5.682 3.875 -9.298 1.00 0.40 C ATOM 77 CD LYS A 5 -5.538 4.812 -10.495 1.00 0.66 C ATOM 78 CE LYS A 5 -5.135 4.061 -11.755 1.00 1.21 C ATOM 79 NZ LYS A 5 -5.128 4.943 -12.952 1.00 1.43 N ATOM 0 H LYS A 5 -2.951 5.243 -9.806 1.00 0.24 H new ATOM 0 HA LYS A 5 -3.785 4.232 -7.181 1.00 0.25 H new ATOM 0 HB2 LYS A 5 -3.909 2.800 -9.841 1.00 0.30 H new ATOM 0 HB3 LYS A 5 -4.622 2.287 -8.325 1.00 0.30 H new ATOM 0 HG2 LYS A 5 -6.446 3.129 -9.519 1.00 0.40 H new ATOM 0 HG3 LYS A 5 -6.033 4.446 -8.438 1.00 0.40 H new ATOM 0 HD2 LYS A 5 -6.482 5.330 -10.667 1.00 0.66 H new ATOM 0 HD3 LYS A 5 -4.792 5.575 -10.272 1.00 0.66 H new ATOM 0 HE2 LYS A 5 -4.144 3.629 -11.618 1.00 1.21 H new ATOM 0 HE3 LYS A 5 -5.824 3.233 -11.919 1.00 1.21 H new ATOM 0 HZ1 LYS A 5 -4.848 4.391 -13.788 1.00 1.43 H new ATOM 0 HZ2 LYS A 5 -6.080 5.336 -13.099 1.00 1.43 H new ATOM 0 HZ3 LYS A 5 -4.451 5.719 -12.807 1.00 1.43 H new ATOM 93 N LEU A 6 -1.713 2.984 -6.796 1.00 0.23 N ATOM 94 CA LEU A 6 -0.509 2.242 -6.503 1.00 0.25 C ATOM 95 C LEU A 6 -0.878 0.787 -6.238 1.00 0.24 C ATOM 96 O LEU A 6 -1.324 0.428 -5.148 1.00 0.24 O ATOM 97 CB LEU A 6 0.200 2.894 -5.318 1.00 0.26 C ATOM 98 CG LEU A 6 0.258 4.427 -5.400 1.00 0.27 C ATOM 99 CD1 LEU A 6 0.776 5.027 -4.107 1.00 0.32 C ATOM 100 CD2 LEU A 6 1.119 4.874 -6.575 1.00 0.30 C ATOM 0 H LEU A 6 -2.237 3.280 -5.972 1.00 0.23 H new ATOM 0 HA LEU A 6 0.181 2.258 -7.346 1.00 0.25 H new ATOM 0 HB2 LEU A 6 -0.310 2.607 -4.398 1.00 0.26 H new ATOM 0 HB3 LEU A 6 1.216 2.504 -5.254 1.00 0.26 H new ATOM 0 HG LEU A 6 -0.758 4.788 -5.558 1.00 0.27 H new ATOM 0 HD11 LEU A 6 0.806 6.113 -4.196 1.00 0.32 H new ATOM 0 HD12 LEU A 6 0.115 4.748 -3.286 1.00 0.32 H new ATOM 0 HD13 LEU A 6 1.780 4.652 -3.908 1.00 0.32 H new ATOM 0 HD21 LEU A 6 1.145 5.963 -6.613 1.00 0.30 H new ATOM 0 HD22 LEU A 6 2.132 4.491 -6.451 1.00 0.30 H new ATOM 0 HD23 LEU A 6 0.697 4.489 -7.503 1.00 0.30 H new ATOM 112 N TYR A 7 -0.756 -0.027 -7.277 1.00 0.27 N ATOM 113 CA TYR A 7 -1.204 -1.416 -7.238 1.00 0.27 C ATOM 114 C TYR A 7 -0.325 -2.306 -6.370 1.00 0.29 C ATOM 115 O TYR A 7 0.903 -2.253 -6.442 1.00 0.38 O ATOM 116 CB TYR A 7 -1.255 -1.999 -8.654 1.00 0.32 C ATOM 117 CG TYR A 7 -2.643 -2.044 -9.255 1.00 0.35 C ATOM 118 CD1 TYR A 7 -3.462 -3.151 -9.062 1.00 0.36 C ATOM 119 CD2 TYR A 7 -3.132 -0.990 -10.015 1.00 0.47 C ATOM 120 CE1 TYR A 7 -4.730 -3.203 -9.607 1.00 0.46 C ATOM 121 CE2 TYR A 7 -4.400 -1.036 -10.564 1.00 0.57 C ATOM 122 CZ TYR A 7 -5.194 -2.146 -10.357 1.00 0.56 C ATOM 123 OH TYR A 7 -6.461 -2.194 -10.890 1.00 0.69 O ATOM 0 H TYR A 7 -0.346 0.253 -8.168 1.00 0.27 H new ATOM 0 HA TYR A 7 -2.199 -1.400 -6.793 1.00 0.27 H new ATOM 0 HB2 TYR A 7 -0.609 -1.407 -9.302 1.00 0.32 H new ATOM 0 HB3 TYR A 7 -0.847 -3.009 -8.634 1.00 0.32 H new ATOM 0 HD1 TYR A 7 -3.101 -3.984 -8.477 1.00 0.36 H new ATOM 0 HD2 TYR A 7 -2.512 -0.121 -10.180 1.00 0.47 H new ATOM 0 HE1 TYR A 7 -5.355 -4.069 -9.445 1.00 0.46 H new ATOM 0 HE2 TYR A 7 -4.767 -0.208 -11.152 1.00 0.57 H new ATOM 0 HH TYR A 7 -6.637 -1.370 -11.391 1.00 0.69 H new ATOM 133 N VAL A 8 -0.977 -3.122 -5.555 1.00 0.24 N ATOM 134 CA VAL A 8 -0.317 -4.220 -4.874 1.00 0.26 C ATOM 135 C VAL A 8 -1.066 -5.504 -5.179 1.00 0.26 C ATOM 136 O VAL A 8 -2.185 -5.698 -4.729 1.00 0.26 O ATOM 137 CB VAL A 8 -0.262 -4.017 -3.344 1.00 0.36 C ATOM 138 CG1 VAL A 8 0.881 -3.097 -2.970 1.00 1.12 C ATOM 139 CG2 VAL A 8 -1.585 -3.473 -2.816 1.00 1.27 C ATOM 0 H VAL A 8 -1.973 -3.041 -5.350 1.00 0.24 H new ATOM 0 HA VAL A 8 0.711 -4.267 -5.235 1.00 0.26 H new ATOM 0 HB VAL A 8 -0.089 -4.988 -2.881 1.00 0.36 H new ATOM 0 HG11 VAL A 8 0.904 -2.966 -1.888 1.00 1.12 H new ATOM 0 HG12 VAL A 8 1.823 -3.533 -3.302 1.00 1.12 H new ATOM 0 HG13 VAL A 8 0.740 -2.128 -3.450 1.00 1.12 H new ATOM 0 HG21 VAL A 8 -1.519 -3.340 -1.736 1.00 1.27 H new ATOM 0 HG22 VAL A 8 -1.798 -2.514 -3.288 1.00 1.27 H new ATOM 0 HG23 VAL A 8 -2.385 -4.176 -3.046 1.00 1.27 H new ATOM 149 N PRO A 9 -0.454 -6.412 -5.929 1.00 0.32 N ATOM 150 CA PRO A 9 -1.139 -7.618 -6.375 1.00 0.37 C ATOM 151 C PRO A 9 -1.487 -8.535 -5.208 1.00 0.34 C ATOM 152 O PRO A 9 -0.651 -9.291 -4.717 1.00 0.35 O ATOM 153 CB PRO A 9 -0.135 -8.268 -7.327 1.00 0.44 C ATOM 154 CG PRO A 9 1.191 -7.742 -6.899 1.00 0.43 C ATOM 155 CD PRO A 9 0.938 -6.349 -6.397 1.00 0.39 C ATOM 0 HA PRO A 9 -2.096 -7.406 -6.853 1.00 0.37 H new ATOM 0 HB2 PRO A 9 -0.170 -9.355 -7.257 1.00 0.44 H new ATOM 0 HB3 PRO A 9 -0.348 -8.008 -8.364 1.00 0.44 H new ATOM 0 HG2 PRO A 9 1.625 -8.366 -6.118 1.00 0.43 H new ATOM 0 HG3 PRO A 9 1.896 -7.736 -7.730 1.00 0.43 H new ATOM 0 HD2 PRO A 9 1.622 -6.080 -5.592 1.00 0.39 H new ATOM 0 HD3 PRO A 9 1.065 -5.607 -7.185 1.00 0.39 H new ATOM 163 N VAL A 10 -2.722 -8.441 -4.745 1.00 0.34 N ATOM 164 CA VAL A 10 -3.181 -9.245 -3.621 1.00 0.36 C ATOM 165 C VAL A 10 -3.201 -10.725 -3.995 1.00 0.43 C ATOM 166 O VAL A 10 -3.162 -11.607 -3.137 1.00 0.47 O ATOM 167 CB VAL A 10 -4.574 -8.797 -3.145 1.00 0.42 C ATOM 168 CG1 VAL A 10 -5.662 -9.207 -4.125 1.00 0.51 C ATOM 169 CG2 VAL A 10 -4.860 -9.310 -1.743 1.00 0.52 C ATOM 0 H VAL A 10 -3.428 -7.814 -5.131 1.00 0.34 H new ATOM 0 HA VAL A 10 -2.480 -9.098 -2.799 1.00 0.36 H new ATOM 0 HB VAL A 10 -4.576 -7.708 -3.107 1.00 0.42 H new ATOM 0 HG11 VAL A 10 -6.631 -8.873 -3.754 1.00 0.51 H new ATOM 0 HG12 VAL A 10 -5.468 -8.751 -5.096 1.00 0.51 H new ATOM 0 HG13 VAL A 10 -5.668 -10.292 -4.229 1.00 0.51 H new ATOM 0 HG21 VAL A 10 -5.850 -8.980 -1.430 1.00 0.52 H new ATOM 0 HG22 VAL A 10 -4.823 -10.399 -1.740 1.00 0.52 H new ATOM 0 HG23 VAL A 10 -4.112 -8.919 -1.053 1.00 0.52 H new ATOM 179 N LYS A 11 -3.252 -10.983 -5.295 1.00 0.49 N ATOM 180 CA LYS A 11 -3.151 -12.345 -5.809 1.00 0.58 C ATOM 181 C LYS A 11 -1.745 -12.878 -5.571 1.00 0.53 C ATOM 182 O LYS A 11 -1.530 -14.082 -5.421 1.00 0.60 O ATOM 183 CB LYS A 11 -3.460 -12.391 -7.307 1.00 0.72 C ATOM 184 CG LYS A 11 -4.847 -11.893 -7.675 1.00 1.27 C ATOM 185 CD LYS A 11 -5.123 -12.113 -9.153 1.00 1.76 C ATOM 186 CE LYS A 11 -6.476 -11.560 -9.565 1.00 2.24 C ATOM 187 NZ LYS A 11 -6.496 -10.074 -9.562 1.00 2.93 N ATOM 0 H LYS A 11 -3.363 -10.268 -6.014 1.00 0.49 H new ATOM 0 HA LYS A 11 -3.880 -12.963 -5.284 1.00 0.58 H new ATOM 0 HB2 LYS A 11 -2.719 -11.792 -7.837 1.00 0.72 H new ATOM 0 HB3 LYS A 11 -3.350 -13.417 -7.657 1.00 0.72 H new ATOM 0 HG2 LYS A 11 -5.596 -12.414 -7.079 1.00 1.27 H new ATOM 0 HG3 LYS A 11 -4.933 -10.833 -7.438 1.00 1.27 H new ATOM 0 HD2 LYS A 11 -4.341 -11.636 -9.743 1.00 1.76 H new ATOM 0 HD3 LYS A 11 -5.084 -13.179 -9.375 1.00 1.76 H new ATOM 0 HE2 LYS A 11 -6.728 -11.924 -10.561 1.00 2.24 H new ATOM 0 HE3 LYS A 11 -7.242 -11.934 -8.886 1.00 2.24 H new ATOM 0 HZ1 LYS A 11 -7.427 -9.739 -9.882 1.00 2.93 H new ATOM 0 HZ2 LYS A 11 -6.315 -9.726 -8.599 1.00 2.93 H new ATOM 0 HZ3 LYS A 11 -5.760 -9.716 -10.204 1.00 2.93 H new ATOM 201 N GLU A 12 -0.792 -11.955 -5.538 1.00 0.45 N ATOM 202 CA GLU A 12 0.602 -12.279 -5.302 1.00 0.44 C ATOM 203 C GLU A 12 0.861 -12.495 -3.824 1.00 0.39 C ATOM 204 O GLU A 12 1.711 -13.299 -3.437 1.00 0.43 O ATOM 205 CB GLU A 12 1.488 -11.149 -5.804 1.00 0.46 C ATOM 206 CG GLU A 12 1.548 -11.046 -7.316 1.00 0.60 C ATOM 207 CD GLU A 12 2.145 -12.277 -7.959 1.00 0.77 C ATOM 208 OE1 GLU A 12 3.354 -12.519 -7.766 1.00 0.97 O ATOM 209 OE2 GLU A 12 1.410 -13.000 -8.666 1.00 0.96 O ATOM 0 H GLU A 12 -0.968 -10.960 -5.675 1.00 0.45 H new ATOM 0 HA GLU A 12 0.834 -13.198 -5.840 1.00 0.44 H new ATOM 0 HB2 GLU A 12 1.123 -10.205 -5.399 1.00 0.46 H new ATOM 0 HB3 GLU A 12 2.497 -11.292 -5.418 1.00 0.46 H new ATOM 0 HG2 GLU A 12 0.542 -10.888 -7.706 1.00 0.60 H new ATOM 0 HG3 GLU A 12 2.138 -10.173 -7.594 1.00 0.60 H new ATOM 216 N TYR A 13 0.125 -11.765 -2.999 1.00 0.34 N ATOM 217 CA TYR A 13 0.324 -11.820 -1.563 1.00 0.35 C ATOM 218 C TYR A 13 -0.957 -12.240 -0.850 1.00 0.39 C ATOM 219 O TYR A 13 -1.648 -11.408 -0.264 1.00 0.40 O ATOM 220 CB TYR A 13 0.780 -10.460 -1.037 1.00 0.34 C ATOM 221 CG TYR A 13 1.964 -9.877 -1.769 1.00 0.35 C ATOM 222 CD1 TYR A 13 1.794 -9.177 -2.950 1.00 0.34 C ATOM 223 CD2 TYR A 13 3.255 -10.044 -1.286 1.00 0.44 C ATOM 224 CE1 TYR A 13 2.877 -8.659 -3.630 1.00 0.40 C ATOM 225 CE2 TYR A 13 4.341 -9.532 -1.958 1.00 0.48 C ATOM 226 CZ TYR A 13 4.132 -8.767 -3.099 1.00 0.46 C ATOM 227 OH TYR A 13 5.229 -8.336 -3.813 1.00 0.53 O ATOM 0 H TYR A 13 -0.613 -11.130 -3.301 1.00 0.34 H new ATOM 0 HA TYR A 13 1.096 -12.562 -1.361 1.00 0.35 H new ATOM 0 HB2 TYR A 13 -0.053 -9.760 -1.102 1.00 0.34 H new ATOM 0 HB3 TYR A 13 1.032 -10.558 0.019 1.00 0.34 H new ATOM 0 HD1 TYR A 13 0.799 -9.034 -3.345 1.00 0.34 H new ATOM 0 HD2 TYR A 13 3.410 -10.586 -0.365 1.00 0.44 H new ATOM 0 HE1 TYR A 13 2.733 -8.168 -4.581 1.00 0.40 H new ATOM 0 HE2 TYR A 13 5.343 -9.722 -1.603 1.00 0.48 H new ATOM 0 HH TYR A 13 6.042 -8.486 -3.286 1.00 0.53 H new ATOM 237 N PRO A 14 -1.309 -13.534 -0.910 1.00 0.47 N ATOM 238 CA PRO A 14 -2.470 -14.058 -0.193 1.00 0.55 C ATOM 239 C PRO A 14 -2.234 -14.059 1.312 1.00 0.59 C ATOM 240 O PRO A 14 -3.174 -13.961 2.104 1.00 0.68 O ATOM 241 CB PRO A 14 -2.611 -15.489 -0.723 1.00 0.64 C ATOM 242 CG PRO A 14 -1.248 -15.857 -1.196 1.00 0.75 C ATOM 243 CD PRO A 14 -0.616 -14.584 -1.682 1.00 0.52 C ATOM 0 HA PRO A 14 -3.365 -13.457 -0.351 1.00 0.55 H new ATOM 0 HB2 PRO A 14 -2.955 -16.168 0.058 1.00 0.64 H new ATOM 0 HB3 PRO A 14 -3.338 -15.541 -1.533 1.00 0.64 H new ATOM 0 HG2 PRO A 14 -0.662 -16.299 -0.390 1.00 0.75 H new ATOM 0 HG3 PRO A 14 -1.300 -16.596 -1.995 1.00 0.75 H new ATOM 0 HD2 PRO A 14 0.458 -14.574 -1.497 1.00 0.52 H new ATOM 0 HD3 PRO A 14 -0.756 -14.451 -2.755 1.00 0.52 H new ATOM 251 N ASP A 15 -0.964 -14.126 1.695 1.00 0.57 N ATOM 252 CA ASP A 15 -0.583 -14.206 3.096 1.00 0.67 C ATOM 253 C ASP A 15 -0.313 -12.822 3.660 1.00 0.62 C ATOM 254 O ASP A 15 -0.182 -12.654 4.873 1.00 0.76 O ATOM 255 CB ASP A 15 0.662 -15.084 3.265 1.00 0.78 C ATOM 256 CG ASP A 15 0.444 -16.511 2.805 1.00 1.64 C ATOM 257 OD1 ASP A 15 -0.059 -17.328 3.599 1.00 2.15 O ATOM 258 OD2 ASP A 15 0.761 -16.819 1.636 1.00 2.43 O ATOM 0 H ASP A 15 -0.176 -14.126 1.047 1.00 0.57 H new ATOM 0 HA ASP A 15 -1.412 -14.654 3.644 1.00 0.67 H new ATOM 0 HB2 ASP A 15 1.487 -14.648 2.702 1.00 0.78 H new ATOM 0 HB3 ASP A 15 0.959 -15.087 4.314 1.00 0.78 H new ATOM 263 N PHE A 16 -0.220 -11.830 2.787 1.00 0.48 N ATOM 264 CA PHE A 16 -0.014 -10.463 3.232 1.00 0.43 C ATOM 265 C PHE A 16 -1.235 -9.625 2.929 1.00 0.37 C ATOM 266 O PHE A 16 -1.518 -9.291 1.779 1.00 0.36 O ATOM 267 CB PHE A 16 1.217 -9.839 2.586 1.00 0.41 C ATOM 268 CG PHE A 16 1.645 -8.579 3.278 1.00 0.40 C ATOM 269 CD1 PHE A 16 2.375 -8.626 4.450 1.00 0.52 C ATOM 270 CD2 PHE A 16 1.329 -7.345 2.741 1.00 0.34 C ATOM 271 CE1 PHE A 16 2.782 -7.466 5.077 1.00 0.56 C ATOM 272 CE2 PHE A 16 1.731 -6.180 3.365 1.00 0.36 C ATOM 273 CZ PHE A 16 2.416 -6.252 4.582 1.00 0.49 C ATOM 0 H PHE A 16 -0.283 -11.945 1.776 1.00 0.48 H new ATOM 0 HA PHE A 16 0.150 -10.489 4.309 1.00 0.43 H new ATOM 0 HB2 PHE A 16 2.037 -10.557 2.603 1.00 0.41 H new ATOM 0 HB3 PHE A 16 1.005 -9.622 1.539 1.00 0.41 H new ATOM 0 HD1 PHE A 16 2.630 -9.583 4.881 1.00 0.52 H new ATOM 0 HD2 PHE A 16 0.762 -7.291 1.824 1.00 0.34 H new ATOM 0 HE1 PHE A 16 3.394 -7.522 5.965 1.00 0.56 H new ATOM 0 HE2 PHE A 16 1.518 -5.221 2.916 1.00 0.36 H new ATOM 0 HZ PHE A 16 2.653 -5.350 5.126 1.00 0.49 H new ATOM 283 N ASN A 17 -1.951 -9.286 3.975 1.00 0.37 N ATOM 284 CA ASN A 17 -3.128 -8.453 3.859 1.00 0.35 C ATOM 285 C ASN A 17 -2.745 -6.983 3.779 1.00 0.30 C ATOM 286 O ASN A 17 -2.481 -6.354 4.798 1.00 0.30 O ATOM 287 CB ASN A 17 -4.066 -8.678 5.047 1.00 0.45 C ATOM 288 CG ASN A 17 -3.333 -8.988 6.346 1.00 0.74 C ATOM 289 OD1 ASN A 17 -3.236 -10.147 6.747 1.00 1.29 O ATOM 290 ND2 ASN A 17 -2.781 -7.969 6.994 1.00 0.71 N ATOM 0 H ASN A 17 -1.736 -9.578 4.928 1.00 0.37 H new ATOM 0 HA ASN A 17 -3.645 -8.731 2.941 1.00 0.35 H new ATOM 0 HB2 ASN A 17 -4.681 -7.789 5.189 1.00 0.45 H new ATOM 0 HB3 ASN A 17 -4.743 -9.500 4.815 1.00 0.45 H new ATOM 0 HD21 ASN A 17 -2.257 -8.135 7.853 1.00 0.71 H new ATOM 0 HD22 ASN A 17 -2.881 -7.020 6.633 1.00 0.71 H new ATOM 297 N PHE A 18 -2.697 -6.432 2.570 1.00 0.28 N ATOM 298 CA PHE A 18 -2.392 -5.015 2.408 1.00 0.26 C ATOM 299 C PHE A 18 -3.464 -4.156 3.070 1.00 0.27 C ATOM 300 O PHE A 18 -3.181 -3.082 3.560 1.00 0.27 O ATOM 301 CB PHE A 18 -2.237 -4.642 0.933 1.00 0.24 C ATOM 302 CG PHE A 18 -1.110 -5.368 0.264 1.00 0.23 C ATOM 303 CD1 PHE A 18 0.219 -5.063 0.539 1.00 0.24 C ATOM 304 CD2 PHE A 18 -1.389 -6.357 -0.655 1.00 0.23 C ATOM 305 CE1 PHE A 18 1.243 -5.743 -0.102 1.00 0.26 C ATOM 306 CE2 PHE A 18 -0.377 -7.033 -1.293 1.00 0.25 C ATOM 307 CZ PHE A 18 1.015 -6.691 -0.929 1.00 0.25 C ATOM 0 H PHE A 18 -2.863 -6.937 1.699 1.00 0.28 H new ATOM 0 HA PHE A 18 -1.439 -4.822 2.901 1.00 0.26 H new ATOM 0 HB2 PHE A 18 -3.167 -4.862 0.408 1.00 0.24 H new ATOM 0 HB3 PHE A 18 -2.071 -3.568 0.850 1.00 0.24 H new ATOM 0 HD1 PHE A 18 0.455 -4.291 1.257 1.00 0.24 H new ATOM 0 HD2 PHE A 18 -2.417 -6.604 -0.876 1.00 0.23 H new ATOM 0 HE1 PHE A 18 2.266 -5.463 0.104 1.00 0.26 H new ATOM 0 HE2 PHE A 18 -0.591 -7.788 -2.035 1.00 0.25 H new ATOM 0 HZ PHE A 18 1.838 -7.241 -1.361 1.00 0.25 H new ATOM 317 N VAL A 19 -4.693 -4.643 3.093 1.00 0.31 N ATOM 318 CA VAL A 19 -5.775 -3.964 3.800 1.00 0.32 C ATOM 319 C VAL A 19 -5.509 -3.930 5.303 1.00 0.29 C ATOM 320 O VAL A 19 -5.511 -2.862 5.913 1.00 0.27 O ATOM 321 CB VAL A 19 -7.126 -4.657 3.522 1.00 0.41 C ATOM 322 CG1 VAL A 19 -8.208 -4.156 4.460 1.00 1.34 C ATOM 323 CG2 VAL A 19 -7.543 -4.445 2.077 1.00 1.13 C ATOM 0 H VAL A 19 -4.971 -5.508 2.630 1.00 0.31 H new ATOM 0 HA VAL A 19 -5.821 -2.939 3.432 1.00 0.32 H new ATOM 0 HB VAL A 19 -6.995 -5.724 3.700 1.00 0.41 H new ATOM 0 HG11 VAL A 19 -9.146 -4.664 4.237 1.00 1.34 H new ATOM 0 HG12 VAL A 19 -7.920 -4.362 5.491 1.00 1.34 H new ATOM 0 HG13 VAL A 19 -8.337 -3.082 4.327 1.00 1.34 H new ATOM 0 HG21 VAL A 19 -8.497 -4.940 1.897 1.00 1.13 H new ATOM 0 HG22 VAL A 19 -7.645 -3.378 1.881 1.00 1.13 H new ATOM 0 HG23 VAL A 19 -6.786 -4.865 1.415 1.00 1.13 H new ATOM 333 N GLY A 20 -5.236 -5.092 5.882 1.00 0.33 N ATOM 334 CA GLY A 20 -4.909 -5.154 7.295 1.00 0.35 C ATOM 335 C GLY A 20 -3.604 -4.457 7.611 1.00 0.32 C ATOM 336 O GLY A 20 -3.353 -4.079 8.750 1.00 0.38 O ATOM 0 H GLY A 20 -5.235 -5.991 5.401 1.00 0.33 H new ATOM 0 HA2 GLY A 20 -5.712 -4.696 7.872 1.00 0.35 H new ATOM 0 HA3 GLY A 20 -4.847 -6.197 7.606 1.00 0.35 H new ATOM 340 N ARG A 21 -2.775 -4.294 6.596 1.00 0.29 N ATOM 341 CA ARG A 21 -1.508 -3.603 6.746 1.00 0.32 C ATOM 342 C ARG A 21 -1.685 -2.091 6.613 1.00 0.31 C ATOM 343 O ARG A 21 -1.111 -1.321 7.382 1.00 0.39 O ATOM 344 CB ARG A 21 -0.498 -4.126 5.706 1.00 0.33 C ATOM 345 CG ARG A 21 0.541 -3.096 5.272 1.00 0.56 C ATOM 346 CD ARG A 21 1.765 -3.067 6.181 1.00 0.52 C ATOM 347 NE ARG A 21 1.456 -3.415 7.568 1.00 1.51 N ATOM 348 CZ ARG A 21 2.132 -4.319 8.274 1.00 2.26 C ATOM 349 NH1 ARG A 21 3.164 -4.960 7.733 1.00 2.34 N ATOM 350 NH2 ARG A 21 1.769 -4.587 9.520 1.00 3.20 N ATOM 0 H ARG A 21 -2.959 -4.634 5.652 1.00 0.29 H new ATOM 0 HA ARG A 21 -1.122 -3.804 7.746 1.00 0.32 H new ATOM 0 HB2 ARG A 21 0.017 -4.993 6.120 1.00 0.33 H new ATOM 0 HB3 ARG A 21 -1.043 -4.469 4.827 1.00 0.33 H new ATOM 0 HG2 ARG A 21 0.857 -3.314 4.252 1.00 0.56 H new ATOM 0 HG3 ARG A 21 0.082 -2.108 5.258 1.00 0.56 H new ATOM 0 HD2 ARG A 21 2.513 -3.760 5.796 1.00 0.52 H new ATOM 0 HD3 ARG A 21 2.209 -2.072 6.152 1.00 0.52 H new ATOM 0 HE ARG A 21 0.677 -2.937 8.021 1.00 1.51 H new ATOM 0 HH11 ARG A 21 3.442 -4.760 6.772 1.00 2.34 H new ATOM 0 HH12 ARG A 21 3.678 -5.651 8.279 1.00 2.34 H new ATOM 0 HH21 ARG A 21 0.974 -4.101 9.935 1.00 3.20 H new ATOM 0 HH22 ARG A 21 2.285 -5.279 10.064 1.00 3.20 H new ATOM 364 N ILE A 22 -2.487 -1.672 5.644 1.00 0.27 N ATOM 365 CA ILE A 22 -2.595 -0.261 5.309 1.00 0.31 C ATOM 366 C ILE A 22 -3.673 0.454 6.119 1.00 0.28 C ATOM 367 O ILE A 22 -3.381 1.418 6.826 1.00 0.32 O ATOM 368 CB ILE A 22 -2.904 -0.091 3.800 1.00 0.40 C ATOM 369 CG1 ILE A 22 -1.722 -0.565 2.948 1.00 0.51 C ATOM 370 CG2 ILE A 22 -3.262 1.345 3.462 1.00 0.52 C ATOM 371 CD1 ILE A 22 -0.403 0.051 3.348 1.00 0.99 C ATOM 0 H ILE A 22 -3.071 -2.288 5.078 1.00 0.27 H new ATOM 0 HA ILE A 22 -1.634 0.192 5.555 1.00 0.31 H new ATOM 0 HB ILE A 22 -3.770 -0.712 3.570 1.00 0.40 H new ATOM 0 HG12 ILE A 22 -1.644 -1.650 3.021 1.00 0.51 H new ATOM 0 HG13 ILE A 22 -1.921 -0.330 1.902 1.00 0.51 H new ATOM 0 HG21 ILE A 22 -3.472 1.426 2.396 1.00 0.52 H new ATOM 0 HG22 ILE A 22 -4.143 1.643 4.029 1.00 0.52 H new ATOM 0 HG23 ILE A 22 -2.428 1.998 3.718 1.00 0.52 H new ATOM 0 HD11 ILE A 22 0.388 -0.331 2.702 1.00 0.99 H new ATOM 0 HD12 ILE A 22 -0.462 1.135 3.248 1.00 0.99 H new ATOM 0 HD13 ILE A 22 -0.181 -0.206 4.384 1.00 0.99 H new ATOM 383 N LEU A 23 -4.910 -0.018 6.047 1.00 0.30 N ATOM 384 CA LEU A 23 -5.984 0.651 6.760 1.00 0.35 C ATOM 385 C LEU A 23 -6.408 -0.108 8.010 1.00 0.37 C ATOM 386 O LEU A 23 -7.248 0.376 8.768 1.00 0.47 O ATOM 387 CB LEU A 23 -7.189 1.020 5.849 1.00 0.59 C ATOM 388 CG LEU A 23 -7.909 -0.093 5.057 1.00 0.68 C ATOM 389 CD1 LEU A 23 -6.978 -0.776 4.070 1.00 1.69 C ATOM 390 CD2 LEU A 23 -8.565 -1.103 5.983 1.00 1.15 C ATOM 0 H LEU A 23 -5.189 -0.842 5.515 1.00 0.30 H new ATOM 0 HA LEU A 23 -5.571 1.602 7.097 1.00 0.35 H new ATOM 0 HB2 LEU A 23 -7.934 1.510 6.475 1.00 0.59 H new ATOM 0 HB3 LEU A 23 -6.840 1.760 5.129 1.00 0.59 H new ATOM 0 HG LEU A 23 -8.699 0.388 4.480 1.00 0.68 H new ATOM 0 HD11 LEU A 23 -7.523 -1.552 3.533 1.00 1.69 H new ATOM 0 HD12 LEU A 23 -6.599 -0.042 3.359 1.00 1.69 H new ATOM 0 HD13 LEU A 23 -6.143 -1.225 4.608 1.00 1.69 H new ATOM 0 HD21 LEU A 23 -9.062 -1.871 5.390 1.00 1.15 H new ATOM 0 HD22 LEU A 23 -7.806 -1.566 6.613 1.00 1.15 H new ATOM 0 HD23 LEU A 23 -9.299 -0.598 6.611 1.00 1.15 H new ATOM 402 N GLY A 24 -5.812 -1.281 8.225 1.00 0.35 N ATOM 403 CA GLY A 24 -6.158 -2.110 9.373 1.00 0.45 C ATOM 404 C GLY A 24 -6.080 -1.354 10.689 1.00 0.56 C ATOM 405 O GLY A 24 -7.091 -0.847 11.175 1.00 0.70 O ATOM 0 H GLY A 24 -5.091 -1.675 7.621 1.00 0.35 H new ATOM 0 HA2 GLY A 24 -7.167 -2.500 9.243 1.00 0.45 H new ATOM 0 HA3 GLY A 24 -5.487 -2.968 9.412 1.00 0.45 H new ATOM 409 N PRO A 25 -4.896 -1.263 11.301 1.00 0.59 N ATOM 410 CA PRO A 25 -4.702 -0.469 12.505 1.00 0.74 C ATOM 411 C PRO A 25 -4.396 0.988 12.178 1.00 0.75 C ATOM 412 O PRO A 25 -4.565 1.877 13.011 1.00 0.90 O ATOM 413 CB PRO A 25 -3.502 -1.144 13.163 1.00 0.85 C ATOM 414 CG PRO A 25 -2.695 -1.681 12.027 1.00 0.77 C ATOM 415 CD PRO A 25 -3.659 -1.956 10.894 1.00 0.57 C ATOM 0 HA PRO A 25 -5.588 -0.436 13.139 1.00 0.74 H new ATOM 0 HB2 PRO A 25 -2.926 -0.435 13.757 1.00 0.85 H new ATOM 0 HB3 PRO A 25 -3.817 -1.941 13.836 1.00 0.85 H new ATOM 0 HG2 PRO A 25 -1.934 -0.963 11.721 1.00 0.77 H new ATOM 0 HG3 PRO A 25 -2.174 -2.592 12.320 1.00 0.77 H new ATOM 0 HD2 PRO A 25 -3.280 -1.573 9.946 1.00 0.57 H new ATOM 0 HD3 PRO A 25 -3.825 -3.025 10.762 1.00 0.57 H new ATOM 423 N ARG A 26 -3.971 1.231 10.944 1.00 0.64 N ATOM 424 CA ARG A 26 -3.519 2.554 10.543 1.00 0.71 C ATOM 425 C ARG A 26 -4.516 3.236 9.614 1.00 0.59 C ATOM 426 O ARG A 26 -4.167 4.198 8.936 1.00 0.63 O ATOM 427 CB ARG A 26 -2.147 2.465 9.866 1.00 0.88 C ATOM 428 CG ARG A 26 -1.091 1.791 10.727 1.00 1.34 C ATOM 429 CD ARG A 26 0.282 1.837 10.078 1.00 1.33 C ATOM 430 NE ARG A 26 1.241 1.003 10.797 1.00 1.92 N ATOM 431 CZ ARG A 26 2.519 1.315 10.985 1.00 2.49 C ATOM 432 NH1 ARG A 26 3.017 2.441 10.490 1.00 2.67 N ATOM 433 NH2 ARG A 26 3.299 0.492 11.677 1.00 3.43 N ATOM 0 H ARG A 26 -3.931 0.529 10.205 1.00 0.64 H new ATOM 0 HA ARG A 26 -3.438 3.159 11.446 1.00 0.71 H new ATOM 0 HB2 ARG A 26 -2.247 1.915 8.930 1.00 0.88 H new ATOM 0 HB3 ARG A 26 -1.810 3.470 9.611 1.00 0.88 H new ATOM 0 HG2 ARG A 26 -1.049 2.280 11.700 1.00 1.34 H new ATOM 0 HG3 ARG A 26 -1.375 0.753 10.904 1.00 1.34 H new ATOM 0 HD2 ARG A 26 0.208 1.500 9.044 1.00 1.33 H new ATOM 0 HD3 ARG A 26 0.640 2.866 10.053 1.00 1.33 H new ATOM 0 HE ARG A 26 0.907 0.119 11.182 1.00 1.92 H new ATOM 0 HH11 ARG A 26 2.418 3.074 9.961 1.00 2.67 H new ATOM 0 HH12 ARG A 26 3.999 2.673 10.639 1.00 2.67 H new ATOM 0 HH21 ARG A 26 2.916 -0.372 12.060 1.00 3.43 H new ATOM 0 HH22 ARG A 26 4.281 0.724 11.826 1.00 3.43 H new ATOM 447 N GLY A 27 -5.760 2.753 9.597 1.00 0.54 N ATOM 448 CA GLY A 27 -6.804 3.401 8.811 1.00 0.56 C ATOM 449 C GLY A 27 -6.913 4.888 9.098 1.00 0.58 C ATOM 450 O GLY A 27 -7.294 5.674 8.226 1.00 0.56 O ATOM 0 H GLY A 27 -6.064 1.927 10.112 1.00 0.54 H new ATOM 0 HA2 GLY A 27 -6.600 3.253 7.751 1.00 0.56 H new ATOM 0 HA3 GLY A 27 -7.761 2.923 9.021 1.00 0.56 H new ATOM 454 N LEU A 28 -6.555 5.266 10.322 1.00 0.64 N ATOM 455 CA LEU A 28 -6.533 6.661 10.737 1.00 0.68 C ATOM 456 C LEU A 28 -5.733 7.513 9.756 1.00 0.58 C ATOM 457 O LEU A 28 -6.139 8.624 9.423 1.00 0.55 O ATOM 458 CB LEU A 28 -5.918 6.788 12.133 1.00 0.82 C ATOM 459 CG LEU A 28 -6.698 6.108 13.258 1.00 1.46 C ATOM 460 CD1 LEU A 28 -5.919 6.181 14.562 1.00 1.96 C ATOM 461 CD2 LEU A 28 -8.065 6.749 13.421 1.00 2.25 C ATOM 0 H LEU A 28 -6.272 4.612 11.052 1.00 0.64 H new ATOM 0 HA LEU A 28 -7.562 7.019 10.755 1.00 0.68 H new ATOM 0 HB2 LEU A 28 -4.912 6.370 12.107 1.00 0.82 H new ATOM 0 HB3 LEU A 28 -5.817 7.847 12.372 1.00 0.82 H new ATOM 0 HG LEU A 28 -6.838 5.059 12.996 1.00 1.46 H new ATOM 0 HD11 LEU A 28 -6.488 5.693 15.353 1.00 1.96 H new ATOM 0 HD12 LEU A 28 -4.959 5.678 14.441 1.00 1.96 H new ATOM 0 HD13 LEU A 28 -5.751 7.225 14.827 1.00 1.96 H new ATOM 0 HD21 LEU A 28 -8.606 6.252 14.226 1.00 2.25 H new ATOM 0 HD22 LEU A 28 -7.945 7.805 13.662 1.00 2.25 H new ATOM 0 HD23 LEU A 28 -8.626 6.650 12.492 1.00 2.25 H new ATOM 473 N THR A 29 -4.612 6.978 9.278 1.00 0.56 N ATOM 474 CA THR A 29 -3.730 7.729 8.401 1.00 0.52 C ATOM 475 C THR A 29 -4.413 8.017 7.064 1.00 0.42 C ATOM 476 O THR A 29 -4.268 9.105 6.519 1.00 0.41 O ATOM 477 CB THR A 29 -2.369 7.011 8.191 1.00 0.58 C ATOM 478 OG1 THR A 29 -1.368 7.962 7.817 1.00 0.92 O ATOM 479 CG2 THR A 29 -2.438 5.929 7.120 1.00 0.48 C ATOM 0 H THR A 29 -4.297 6.030 9.485 1.00 0.56 H new ATOM 0 HA THR A 29 -3.517 8.680 8.889 1.00 0.52 H new ATOM 0 HB THR A 29 -2.116 6.534 9.138 1.00 0.58 H new ATOM 0 HG1 THR A 29 -0.512 7.502 7.688 1.00 0.92 H new ATOM 0 HG21 THR A 29 -1.460 5.459 7.014 1.00 0.48 H new ATOM 0 HG22 THR A 29 -3.172 5.177 7.409 1.00 0.48 H new ATOM 0 HG23 THR A 29 -2.731 6.376 6.170 1.00 0.48 H new ATOM 487 N ALA A 30 -5.209 7.072 6.571 1.00 0.39 N ATOM 488 CA ALA A 30 -5.925 7.273 5.316 1.00 0.34 C ATOM 489 C ALA A 30 -6.892 8.438 5.464 1.00 0.32 C ATOM 490 O ALA A 30 -7.068 9.250 4.553 1.00 0.28 O ATOM 491 CB ALA A 30 -6.668 6.009 4.911 1.00 0.38 C ATOM 0 H ALA A 30 -5.373 6.169 7.016 1.00 0.39 H new ATOM 0 HA ALA A 30 -5.205 7.504 4.530 1.00 0.34 H new ATOM 0 HB1 ALA A 30 -7.195 6.182 3.973 1.00 0.38 H new ATOM 0 HB2 ALA A 30 -5.956 5.194 4.783 1.00 0.38 H new ATOM 0 HB3 ALA A 30 -7.386 5.745 5.687 1.00 0.38 H new ATOM 497 N LYS A 31 -7.488 8.521 6.645 1.00 0.38 N ATOM 498 CA LYS A 31 -8.403 9.599 6.979 1.00 0.41 C ATOM 499 C LYS A 31 -7.639 10.916 7.109 1.00 0.38 C ATOM 500 O LYS A 31 -8.103 11.965 6.669 1.00 0.39 O ATOM 501 CB LYS A 31 -9.116 9.279 8.293 1.00 0.49 C ATOM 502 CG LYS A 31 -10.591 9.659 8.311 1.00 1.16 C ATOM 503 CD LYS A 31 -10.809 11.149 8.094 1.00 1.63 C ATOM 504 CE LYS A 31 -12.270 11.464 7.818 1.00 2.36 C ATOM 505 NZ LYS A 31 -13.143 11.182 8.987 1.00 3.09 N ATOM 0 H LYS A 31 -7.350 7.844 7.396 1.00 0.38 H new ATOM 0 HA LYS A 31 -9.141 9.699 6.183 1.00 0.41 H new ATOM 0 HB2 LYS A 31 -9.025 8.211 8.492 1.00 0.49 H new ATOM 0 HB3 LYS A 31 -8.608 9.799 9.105 1.00 0.49 H new ATOM 0 HG2 LYS A 31 -11.117 9.101 7.536 1.00 1.16 H new ATOM 0 HG3 LYS A 31 -11.027 9.366 9.266 1.00 1.16 H new ATOM 0 HD2 LYS A 31 -10.477 11.698 8.975 1.00 1.63 H new ATOM 0 HD3 LYS A 31 -10.198 11.489 7.258 1.00 1.63 H new ATOM 0 HE2 LYS A 31 -12.366 12.514 7.542 1.00 2.36 H new ATOM 0 HE3 LYS A 31 -12.610 10.877 6.965 1.00 2.36 H new ATOM 0 HZ1 LYS A 31 -14.128 11.413 8.748 1.00 3.09 H new ATOM 0 HZ2 LYS A 31 -13.074 10.175 9.237 1.00 3.09 H new ATOM 0 HZ3 LYS A 31 -12.838 11.761 9.796 1.00 3.09 H new ATOM 519 N GLN A 32 -6.458 10.854 7.714 1.00 0.38 N ATOM 520 CA GLN A 32 -5.645 12.049 7.915 1.00 0.40 C ATOM 521 C GLN A 32 -5.181 12.606 6.578 1.00 0.32 C ATOM 522 O GLN A 32 -5.173 13.817 6.367 1.00 0.33 O ATOM 523 CB GLN A 32 -4.433 11.753 8.807 1.00 0.47 C ATOM 524 CG GLN A 32 -4.798 11.225 10.189 1.00 0.55 C ATOM 525 CD GLN A 32 -5.881 12.043 10.864 1.00 0.63 C ATOM 526 OE1 GLN A 32 -5.599 13.018 11.555 1.00 0.72 O ATOM 527 NE2 GLN A 32 -7.129 11.639 10.677 1.00 0.64 N ATOM 0 H GLN A 32 -6.043 9.994 8.072 1.00 0.38 H new ATOM 0 HA GLN A 32 -6.265 12.793 8.416 1.00 0.40 H new ATOM 0 HB2 GLN A 32 -3.796 11.024 8.307 1.00 0.47 H new ATOM 0 HB3 GLN A 32 -3.846 12.665 8.920 1.00 0.47 H new ATOM 0 HG2 GLN A 32 -5.132 10.191 10.101 1.00 0.55 H new ATOM 0 HG3 GLN A 32 -3.908 11.220 10.818 1.00 0.55 H new ATOM 0 HE21 GLN A 32 -7.319 10.823 10.095 1.00 0.64 H new ATOM 0 HE22 GLN A 32 -7.900 12.144 11.115 1.00 0.64 H new ATOM 536 N LEU A 33 -4.817 11.713 5.670 1.00 0.28 N ATOM 537 CA LEU A 33 -4.364 12.111 4.346 1.00 0.25 C ATOM 538 C LEU A 33 -5.455 12.845 3.589 1.00 0.21 C ATOM 539 O LEU A 33 -5.195 13.888 3.004 1.00 0.22 O ATOM 540 CB LEU A 33 -3.884 10.891 3.550 1.00 0.28 C ATOM 541 CG LEU A 33 -2.406 10.517 3.730 1.00 0.72 C ATOM 542 CD1 LEU A 33 -2.037 10.426 5.200 1.00 1.20 C ATOM 543 CD2 LEU A 33 -2.097 9.202 3.026 1.00 1.61 C ATOM 0 H LEU A 33 -4.827 10.705 5.827 1.00 0.28 H new ATOM 0 HA LEU A 33 -3.525 12.795 4.472 1.00 0.25 H new ATOM 0 HB2 LEU A 33 -4.494 10.033 3.833 1.00 0.28 H new ATOM 0 HB3 LEU A 33 -4.066 11.076 2.491 1.00 0.28 H new ATOM 0 HG LEU A 33 -1.805 11.307 3.278 1.00 0.72 H new ATOM 0 HD11 LEU A 33 -0.984 10.160 5.295 1.00 1.20 H new ATOM 0 HD12 LEU A 33 -2.212 11.389 5.679 1.00 1.20 H new ATOM 0 HD13 LEU A 33 -2.649 9.664 5.682 1.00 1.20 H new ATOM 0 HD21 LEU A 33 -1.045 8.953 3.165 1.00 1.61 H new ATOM 0 HD22 LEU A 33 -2.716 8.410 3.447 1.00 1.61 H new ATOM 0 HD23 LEU A 33 -2.309 9.301 1.961 1.00 1.61 H new ATOM 555 N GLU A 34 -6.682 12.352 3.629 1.00 0.21 N ATOM 556 CA GLU A 34 -7.754 13.013 2.895 1.00 0.25 C ATOM 557 C GLU A 34 -8.116 14.333 3.556 1.00 0.29 C ATOM 558 O GLU A 34 -8.430 15.316 2.880 1.00 0.33 O ATOM 559 CB GLU A 34 -8.996 12.122 2.757 1.00 0.31 C ATOM 560 CG GLU A 34 -9.582 11.636 4.071 1.00 0.38 C ATOM 561 CD GLU A 34 -10.845 10.819 3.879 1.00 0.54 C ATOM 562 OE1 GLU A 34 -11.909 11.415 3.597 1.00 0.87 O ATOM 563 OE2 GLU A 34 -10.788 9.579 4.015 1.00 0.63 O ATOM 0 H GLU A 34 -6.959 11.518 4.147 1.00 0.21 H new ATOM 0 HA GLU A 34 -7.384 13.209 1.889 1.00 0.25 H new ATOM 0 HB2 GLU A 34 -9.764 12.675 2.216 1.00 0.31 H new ATOM 0 HB3 GLU A 34 -8.738 11.255 2.148 1.00 0.31 H new ATOM 0 HG2 GLU A 34 -8.840 11.033 4.595 1.00 0.38 H new ATOM 0 HG3 GLU A 34 -9.802 12.494 4.706 1.00 0.38 H new ATOM 570 N ALA A 35 -8.058 14.350 4.878 1.00 0.30 N ATOM 571 CA ALA A 35 -8.353 15.547 5.645 1.00 0.36 C ATOM 572 C ALA A 35 -7.304 16.638 5.418 1.00 0.35 C ATOM 573 O ALA A 35 -7.640 17.814 5.265 1.00 0.42 O ATOM 574 CB ALA A 35 -8.453 15.209 7.126 1.00 0.40 C ATOM 0 H ALA A 35 -7.807 13.540 5.445 1.00 0.30 H new ATOM 0 HA ALA A 35 -9.311 15.935 5.300 1.00 0.36 H new ATOM 0 HB1 ALA A 35 -8.674 16.114 7.692 1.00 0.40 H new ATOM 0 HB2 ALA A 35 -9.249 14.481 7.280 1.00 0.40 H new ATOM 0 HB3 ALA A 35 -7.507 14.790 7.468 1.00 0.40 H new ATOM 580 N GLU A 36 -6.037 16.241 5.393 1.00 0.30 N ATOM 581 CA GLU A 36 -4.933 17.196 5.327 1.00 0.34 C ATOM 582 C GLU A 36 -4.480 17.484 3.898 1.00 0.31 C ATOM 583 O GLU A 36 -4.281 18.644 3.533 1.00 0.41 O ATOM 584 CB GLU A 36 -3.752 16.689 6.149 1.00 0.38 C ATOM 585 CG GLU A 36 -4.010 16.698 7.647 1.00 0.74 C ATOM 586 CD GLU A 36 -2.888 16.063 8.441 1.00 1.25 C ATOM 587 OE1 GLU A 36 -1.738 16.522 8.311 1.00 1.69 O ATOM 588 OE2 GLU A 36 -3.148 15.088 9.180 1.00 1.73 O ATOM 0 H GLU A 36 -5.747 15.263 5.417 1.00 0.30 H new ATOM 0 HA GLU A 36 -5.304 18.134 5.741 1.00 0.34 H new ATOM 0 HB2 GLU A 36 -3.510 15.673 5.836 1.00 0.38 H new ATOM 0 HB3 GLU A 36 -2.879 17.305 5.935 1.00 0.38 H new ATOM 0 HG2 GLU A 36 -4.148 17.726 7.981 1.00 0.74 H new ATOM 0 HG3 GLU A 36 -4.940 16.168 7.854 1.00 0.74 H new ATOM 595 N THR A 37 -4.305 16.445 3.086 1.00 0.24 N ATOM 596 CA THR A 37 -3.764 16.635 1.746 1.00 0.26 C ATOM 597 C THR A 37 -4.859 17.062 0.775 1.00 0.28 C ATOM 598 O THR A 37 -4.581 17.625 -0.284 1.00 0.35 O ATOM 599 CB THR A 37 -3.071 15.366 1.194 1.00 0.28 C ATOM 600 OG1 THR A 37 -4.042 14.382 0.826 1.00 0.25 O ATOM 601 CG2 THR A 37 -2.115 14.776 2.220 1.00 0.29 C ATOM 0 H THR A 37 -4.526 15.479 3.328 1.00 0.24 H new ATOM 0 HA THR A 37 -3.013 17.420 1.833 1.00 0.26 H new ATOM 0 HB THR A 37 -2.503 15.658 0.311 1.00 0.28 H new ATOM 0 HG1 THR A 37 -4.694 14.279 1.550 1.00 0.25 H new ATOM 0 HG21 THR A 37 -1.642 13.885 1.806 1.00 0.29 H new ATOM 0 HG22 THR A 37 -1.350 15.511 2.469 1.00 0.29 H new ATOM 0 HG23 THR A 37 -2.668 14.508 3.120 1.00 0.29 H new ATOM 609 N GLY A 38 -6.107 16.795 1.149 1.00 0.28 N ATOM 610 CA GLY A 38 -7.223 17.058 0.260 1.00 0.35 C ATOM 611 C GLY A 38 -7.421 15.925 -0.724 1.00 0.35 C ATOM 612 O GLY A 38 -8.187 16.034 -1.681 1.00 0.44 O ATOM 0 H GLY A 38 -6.365 16.401 2.054 1.00 0.28 H new ATOM 0 HA2 GLY A 38 -8.132 17.197 0.845 1.00 0.35 H new ATOM 0 HA3 GLY A 38 -7.048 17.987 -0.282 1.00 0.35 H new ATOM 616 N CYS A 39 -6.708 14.839 -0.482 1.00 0.29 N ATOM 617 CA CYS A 39 -6.789 13.657 -1.315 1.00 0.26 C ATOM 618 C CYS A 39 -7.335 12.495 -0.534 1.00 0.35 C ATOM 619 O CYS A 39 -6.744 12.088 0.462 1.00 0.73 O ATOM 620 CB CYS A 39 -5.413 13.295 -1.832 1.00 0.37 C ATOM 621 SG CYS A 39 -5.372 11.793 -2.818 1.00 1.29 S ATOM 0 H CYS A 39 -6.057 14.754 0.299 1.00 0.29 H new ATOM 0 HA CYS A 39 -7.455 13.874 -2.150 1.00 0.26 H new ATOM 0 HB2 CYS A 39 -5.033 14.122 -2.432 1.00 0.37 H new ATOM 0 HB3 CYS A 39 -4.737 13.179 -0.985 1.00 0.37 H new ATOM 0 HG CYS A 39 -5.920 10.821 -2.151 1.00 1.29 H new ATOM 627 N LYS A 40 -8.425 11.917 -1.002 1.00 0.28 N ATOM 628 CA LYS A 40 -9.007 10.837 -0.276 1.00 0.27 C ATOM 629 C LYS A 40 -8.449 9.551 -0.834 1.00 0.24 C ATOM 630 O LYS A 40 -8.884 9.030 -1.860 1.00 0.26 O ATOM 631 CB LYS A 40 -10.536 10.875 -0.289 1.00 0.35 C ATOM 632 CG LYS A 40 -11.176 10.744 -1.655 1.00 1.07 C ATOM 633 CD LYS A 40 -12.436 9.904 -1.571 1.00 1.36 C ATOM 634 CE LYS A 40 -13.077 9.743 -2.929 1.00 1.62 C ATOM 635 NZ LYS A 40 -13.854 10.950 -3.322 1.00 2.51 N ATOM 0 H LYS A 40 -8.906 12.179 -1.862 1.00 0.28 H new ATOM 0 HA LYS A 40 -8.744 10.920 0.778 1.00 0.27 H new ATOM 0 HB2 LYS A 40 -10.908 10.072 0.347 1.00 0.35 H new ATOM 0 HB3 LYS A 40 -10.863 11.813 0.159 1.00 0.35 H new ATOM 0 HG2 LYS A 40 -11.416 11.732 -2.047 1.00 1.07 H new ATOM 0 HG3 LYS A 40 -10.472 10.287 -2.351 1.00 1.07 H new ATOM 0 HD2 LYS A 40 -12.196 8.923 -1.161 1.00 1.36 H new ATOM 0 HD3 LYS A 40 -13.143 10.372 -0.885 1.00 1.36 H new ATOM 0 HE2 LYS A 40 -12.305 9.549 -3.674 1.00 1.62 H new ATOM 0 HE3 LYS A 40 -13.736 8.875 -2.919 1.00 1.62 H new ATOM 0 HZ1 LYS A 40 -14.400 10.746 -4.183 1.00 2.51 H new ATOM 0 HZ2 LYS A 40 -14.504 11.210 -2.553 1.00 2.51 H new ATOM 0 HZ3 LYS A 40 -13.201 11.739 -3.505 1.00 2.51 H new ATOM 649 N ILE A 41 -7.436 9.080 -0.165 1.00 0.22 N ATOM 650 CA ILE A 41 -6.737 7.899 -0.585 1.00 0.21 C ATOM 651 C ILE A 41 -7.555 6.675 -0.207 1.00 0.23 C ATOM 652 O ILE A 41 -7.677 6.307 0.961 1.00 0.29 O ATOM 653 CB ILE A 41 -5.325 7.857 0.052 1.00 0.21 C ATOM 654 CG1 ILE A 41 -4.620 6.530 -0.232 1.00 0.23 C ATOM 655 CG2 ILE A 41 -5.397 8.110 1.555 1.00 0.25 C ATOM 656 CD1 ILE A 41 -3.248 6.443 0.398 1.00 0.25 C ATOM 0 H ILE A 41 -7.071 9.504 0.688 1.00 0.22 H new ATOM 0 HA ILE A 41 -6.607 7.910 -1.667 1.00 0.21 H new ATOM 0 HB ILE A 41 -4.738 8.653 -0.406 1.00 0.21 H new ATOM 0 HG12 ILE A 41 -5.236 5.711 0.138 1.00 0.23 H new ATOM 0 HG13 ILE A 41 -4.528 6.397 -1.310 1.00 0.23 H new ATOM 0 HG21 ILE A 41 -4.393 8.075 1.978 1.00 0.25 H new ATOM 0 HG22 ILE A 41 -5.834 9.091 1.738 1.00 0.25 H new ATOM 0 HG23 ILE A 41 -6.015 7.344 2.024 1.00 0.25 H new ATOM 0 HD11 ILE A 41 -2.799 5.479 0.161 1.00 0.25 H new ATOM 0 HD12 ILE A 41 -2.618 7.242 0.009 1.00 0.25 H new ATOM 0 HD13 ILE A 41 -3.337 6.545 1.480 1.00 0.25 H new ATOM 668 N MET A 42 -8.146 6.070 -1.219 1.00 0.20 N ATOM 669 CA MET A 42 -9.038 4.960 -1.022 1.00 0.21 C ATOM 670 C MET A 42 -8.342 3.701 -1.452 1.00 0.20 C ATOM 671 O MET A 42 -7.694 3.660 -2.502 1.00 0.21 O ATOM 672 CB MET A 42 -10.341 5.140 -1.814 1.00 0.26 C ATOM 673 CG MET A 42 -10.140 5.257 -3.318 1.00 0.29 C ATOM 674 SD MET A 42 -11.645 4.908 -4.260 1.00 0.45 S ATOM 675 CE MET A 42 -12.742 6.183 -3.640 1.00 1.43 C ATOM 0 H MET A 42 -8.018 6.338 -2.195 1.00 0.20 H new ATOM 0 HA MET A 42 -9.303 4.903 0.034 1.00 0.21 H new ATOM 0 HB2 MET A 42 -10.998 4.294 -1.610 1.00 0.26 H new ATOM 0 HB3 MET A 42 -10.852 6.034 -1.455 1.00 0.26 H new ATOM 0 HG2 MET A 42 -9.794 6.263 -3.556 1.00 0.29 H new ATOM 0 HG3 MET A 42 -9.355 4.568 -3.629 1.00 0.29 H new ATOM 0 HE1 MET A 42 -13.498 6.410 -4.392 1.00 1.43 H new ATOM 0 HE2 MET A 42 -13.229 5.833 -2.730 1.00 1.43 H new ATOM 0 HE3 MET A 42 -12.167 7.082 -3.420 1.00 1.43 H new ATOM 685 N VAL A 43 -8.442 2.684 -0.643 1.00 0.22 N ATOM 686 CA VAL A 43 -7.859 1.430 -0.997 1.00 0.25 C ATOM 687 C VAL A 43 -8.844 0.689 -1.872 1.00 0.27 C ATOM 688 O VAL A 43 -9.925 0.316 -1.432 1.00 0.41 O ATOM 689 CB VAL A 43 -7.515 0.587 0.234 1.00 0.32 C ATOM 690 CG1 VAL A 43 -6.373 -0.353 -0.086 1.00 0.51 C ATOM 691 CG2 VAL A 43 -7.164 1.466 1.428 1.00 0.79 C ATOM 0 H VAL A 43 -8.919 2.702 0.258 1.00 0.22 H new ATOM 0 HA VAL A 43 -6.924 1.612 -1.527 1.00 0.25 H new ATOM 0 HB VAL A 43 -8.394 0.001 0.502 1.00 0.32 H new ATOM 0 HG11 VAL A 43 -6.135 -0.949 0.795 1.00 0.51 H new ATOM 0 HG12 VAL A 43 -6.663 -1.013 -0.903 1.00 0.51 H new ATOM 0 HG13 VAL A 43 -5.497 0.225 -0.381 1.00 0.51 H new ATOM 0 HG21 VAL A 43 -6.925 0.837 2.285 1.00 0.79 H new ATOM 0 HG22 VAL A 43 -6.302 2.087 1.182 1.00 0.79 H new ATOM 0 HG23 VAL A 43 -8.013 2.104 1.672 1.00 0.79 H new ATOM 701 N ARG A 44 -8.484 0.512 -3.117 1.00 0.29 N ATOM 702 CA ARG A 44 -9.367 -0.126 -4.061 1.00 0.31 C ATOM 703 C ARG A 44 -9.015 -1.587 -4.174 1.00 0.38 C ATOM 704 O ARG A 44 -7.995 -2.019 -3.654 1.00 0.71 O ATOM 705 CB ARG A 44 -9.297 0.549 -5.422 1.00 0.33 C ATOM 706 CG ARG A 44 -9.868 1.955 -5.435 1.00 0.37 C ATOM 707 CD ARG A 44 -10.191 2.392 -6.849 1.00 0.50 C ATOM 708 NE ARG A 44 -11.270 3.372 -6.891 1.00 0.56 N ATOM 709 CZ ARG A 44 -12.100 3.522 -7.925 1.00 0.72 C ATOM 710 NH1 ARG A 44 -12.074 2.671 -8.949 1.00 1.26 N ATOM 711 NH2 ARG A 44 -12.978 4.515 -7.924 1.00 1.10 N ATOM 0 H ARG A 44 -7.585 0.801 -3.502 1.00 0.29 H new ATOM 0 HA ARG A 44 -10.391 -0.031 -3.699 1.00 0.31 H new ATOM 0 HB2 ARG A 44 -8.257 0.586 -5.747 1.00 0.33 H new ATOM 0 HB3 ARG A 44 -9.836 -0.060 -6.148 1.00 0.33 H new ATOM 0 HG2 ARG A 44 -10.770 1.992 -4.823 1.00 0.37 H new ATOM 0 HG3 ARG A 44 -9.153 2.647 -4.990 1.00 0.37 H new ATOM 0 HD2 ARG A 44 -9.299 2.817 -7.309 1.00 0.50 H new ATOM 0 HD3 ARG A 44 -10.471 1.521 -7.442 1.00 0.50 H new ATOM 0 HE ARG A 44 -11.398 3.979 -6.081 1.00 0.56 H new ATOM 0 HH11 ARG A 44 -11.414 1.893 -8.949 1.00 1.26 H new ATOM 0 HH12 ARG A 44 -12.714 2.797 -9.733 1.00 1.26 H new ATOM 0 HH21 ARG A 44 -13.017 5.160 -7.135 1.00 1.10 H new ATOM 0 HH22 ARG A 44 -13.615 4.634 -8.712 1.00 1.10 H new ATOM 725 N GLY A 45 -9.841 -2.339 -4.865 1.00 0.26 N ATOM 726 CA GLY A 45 -9.676 -3.766 -4.873 1.00 0.29 C ATOM 727 C GLY A 45 -10.546 -4.415 -3.826 1.00 0.29 C ATOM 728 O GLY A 45 -11.416 -3.763 -3.237 1.00 0.33 O ATOM 0 H GLY A 45 -10.622 -1.989 -5.420 1.00 0.26 H new ATOM 0 HA2 GLY A 45 -9.930 -4.160 -5.857 1.00 0.29 H new ATOM 0 HA3 GLY A 45 -8.631 -4.016 -4.689 1.00 0.29 H new ATOM 732 N LYS A 46 -10.318 -5.684 -3.581 1.00 0.39 N ATOM 733 CA LYS A 46 -11.138 -6.426 -2.646 1.00 0.50 C ATOM 734 C LYS A 46 -10.712 -6.170 -1.199 1.00 0.50 C ATOM 735 O LYS A 46 -9.597 -6.510 -0.799 1.00 0.62 O ATOM 736 CB LYS A 46 -11.104 -7.921 -2.981 1.00 0.74 C ATOM 737 CG LYS A 46 -9.716 -8.537 -2.987 1.00 0.90 C ATOM 738 CD LYS A 46 -9.575 -9.573 -4.088 1.00 0.94 C ATOM 739 CE LYS A 46 -9.720 -8.945 -5.470 1.00 0.72 C ATOM 740 NZ LYS A 46 -11.135 -8.909 -5.941 1.00 1.45 N ATOM 0 H LYS A 46 -9.571 -6.227 -4.015 1.00 0.39 H new ATOM 0 HA LYS A 46 -12.166 -6.075 -2.743 1.00 0.50 H new ATOM 0 HB2 LYS A 46 -11.721 -8.456 -2.259 1.00 0.74 H new ATOM 0 HB3 LYS A 46 -11.558 -8.071 -3.961 1.00 0.74 H new ATOM 0 HG2 LYS A 46 -8.970 -7.755 -3.124 1.00 0.90 H new ATOM 0 HG3 LYS A 46 -9.518 -9.001 -2.021 1.00 0.90 H new ATOM 0 HD2 LYS A 46 -8.603 -10.059 -4.009 1.00 0.94 H new ATOM 0 HD3 LYS A 46 -10.331 -10.348 -3.958 1.00 0.94 H new ATOM 0 HE2 LYS A 46 -9.323 -7.930 -5.447 1.00 0.72 H new ATOM 0 HE3 LYS A 46 -9.118 -9.506 -6.184 1.00 0.72 H new ATOM 0 HZ1 LYS A 46 -11.175 -9.189 -6.942 1.00 1.45 H new ATOM 0 HZ2 LYS A 46 -11.706 -9.567 -5.374 1.00 1.45 H new ATOM 0 HZ3 LYS A 46 -11.511 -7.945 -5.836 1.00 1.45 H new ATOM 754 N GLY A 47 -11.600 -5.552 -0.418 1.00 0.57 N ATOM 755 CA GLY A 47 -11.337 -5.405 1.005 1.00 0.68 C ATOM 756 C GLY A 47 -11.284 -3.964 1.470 1.00 0.51 C ATOM 757 O GLY A 47 -10.800 -3.680 2.560 1.00 0.60 O ATOM 0 H GLY A 47 -12.483 -5.156 -0.740 1.00 0.57 H new ATOM 0 HA2 GLY A 47 -12.112 -5.930 1.564 1.00 0.68 H new ATOM 0 HA3 GLY A 47 -10.389 -5.889 1.242 1.00 0.68 H new ATOM 761 N SER A 48 -11.812 -3.059 0.663 1.00 0.54 N ATOM 762 CA SER A 48 -11.824 -1.644 1.007 1.00 0.72 C ATOM 763 C SER A 48 -12.738 -1.370 2.207 1.00 1.02 C ATOM 764 O SER A 48 -12.300 -0.880 3.248 1.00 1.43 O ATOM 765 CB SER A 48 -12.311 -0.857 -0.208 1.00 0.82 C ATOM 766 OG SER A 48 -12.358 0.540 0.035 1.00 1.31 O ATOM 0 H SER A 48 -12.239 -3.278 -0.237 1.00 0.54 H new ATOM 0 HA SER A 48 -10.816 -1.335 1.284 1.00 0.72 H new ATOM 0 HB2 SER A 48 -11.651 -1.054 -1.053 1.00 0.82 H new ATOM 0 HB3 SER A 48 -13.304 -1.207 -0.490 1.00 0.82 H new ATOM 0 HG SER A 48 -12.597 1.008 -0.792 1.00 1.31 H new ATOM 772 N MET A 49 -14.009 -1.693 2.041 1.00 1.18 N ATOM 773 CA MET A 49 -15.019 -1.489 3.063 1.00 1.58 C ATOM 774 C MET A 49 -15.699 -2.816 3.343 1.00 1.30 C ATOM 775 O MET A 49 -16.907 -2.874 3.538 1.00 1.70 O ATOM 776 CB MET A 49 -16.024 -0.422 2.632 1.00 2.49 C ATOM 777 CG MET A 49 -15.432 0.977 2.539 1.00 3.25 C ATOM 778 SD MET A 49 -16.647 2.215 2.046 1.00 4.35 S ATOM 779 CE MET A 49 -15.621 3.682 1.985 1.00 5.15 C ATOM 0 H MET A 49 -14.372 -2.109 1.183 1.00 1.18 H new ATOM 0 HA MET A 49 -14.551 -1.127 3.978 1.00 1.58 H new ATOM 0 HB2 MET A 49 -16.438 -0.697 1.662 1.00 2.49 H new ATOM 0 HB3 MET A 49 -16.853 -0.410 3.340 1.00 2.49 H new ATOM 0 HG2 MET A 49 -15.009 1.253 3.505 1.00 3.25 H new ATOM 0 HG3 MET A 49 -14.612 0.973 1.821 1.00 3.25 H new ATOM 0 HE1 MET A 49 -16.228 4.539 1.693 1.00 5.15 H new ATOM 0 HE2 MET A 49 -15.186 3.863 2.968 1.00 5.15 H new ATOM 0 HE3 MET A 49 -14.823 3.538 1.256 1.00 5.15 H new ATOM 789 N ARG A 50 -14.890 -3.873 3.281 1.00 0.89 N ATOM 790 CA ARG A 50 -15.315 -5.285 3.370 1.00 1.28 C ATOM 791 C ARG A 50 -16.076 -5.630 4.673 1.00 1.22 C ATOM 792 O ARG A 50 -16.105 -6.785 5.098 1.00 1.55 O ATOM 793 CB ARG A 50 -14.058 -6.164 3.262 1.00 1.65 C ATOM 794 CG ARG A 50 -14.321 -7.627 2.945 1.00 2.14 C ATOM 795 CD ARG A 50 -14.799 -7.812 1.518 1.00 2.26 C ATOM 796 NE ARG A 50 -13.945 -8.736 0.776 1.00 3.05 N ATOM 797 CZ ARG A 50 -14.360 -9.468 -0.257 1.00 3.84 C ATOM 798 NH1 ARG A 50 -15.621 -9.402 -0.658 1.00 4.04 N ATOM 799 NH2 ARG A 50 -13.517 -10.279 -0.884 1.00 4.74 N ATOM 0 H ARG A 50 -13.882 -3.775 3.163 1.00 0.89 H new ATOM 0 HA ARG A 50 -16.017 -5.469 2.557 1.00 1.28 H new ATOM 0 HB2 ARG A 50 -13.410 -5.751 2.489 1.00 1.65 H new ATOM 0 HB3 ARG A 50 -13.510 -6.105 4.202 1.00 1.65 H new ATOM 0 HG2 ARG A 50 -13.409 -8.203 3.101 1.00 2.14 H new ATOM 0 HG3 ARG A 50 -15.069 -8.020 3.634 1.00 2.14 H new ATOM 0 HD2 ARG A 50 -15.822 -8.187 1.523 1.00 2.26 H new ATOM 0 HD3 ARG A 50 -14.816 -6.847 1.012 1.00 2.26 H new ATOM 0 HE ARG A 50 -12.971 -8.826 1.066 1.00 3.05 H new ATOM 0 HH11 ARG A 50 -16.278 -8.789 -0.175 1.00 4.04 H new ATOM 0 HH12 ARG A 50 -15.935 -9.964 -1.449 1.00 4.04 H new ATOM 0 HH21 ARG A 50 -12.547 -10.344 -0.575 1.00 4.74 H new ATOM 0 HH22 ARG A 50 -13.839 -10.838 -1.674 1.00 4.74 H new ATOM 813 N ASP A 51 -16.692 -4.640 5.288 1.00 0.99 N ATOM 814 CA ASP A 51 -17.502 -4.837 6.475 1.00 1.15 C ATOM 815 C ASP A 51 -18.761 -5.615 6.122 1.00 1.27 C ATOM 816 O ASP A 51 -19.369 -5.380 5.075 1.00 1.24 O ATOM 817 CB ASP A 51 -17.890 -3.482 7.071 1.00 1.25 C ATOM 818 CG ASP A 51 -16.763 -2.816 7.829 1.00 1.85 C ATOM 819 OD1 ASP A 51 -16.243 -3.429 8.786 1.00 1.97 O ATOM 820 OD2 ASP A 51 -16.365 -1.692 7.453 1.00 2.67 O ATOM 0 H ASP A 51 -16.645 -3.670 4.977 1.00 0.99 H new ATOM 0 HA ASP A 51 -16.924 -5.401 7.206 1.00 1.15 H new ATOM 0 HB2 ASP A 51 -18.219 -2.821 6.269 1.00 1.25 H new ATOM 0 HB3 ASP A 51 -18.739 -3.618 7.741 1.00 1.25 H new ATOM 825 N LYS A 52 -19.158 -6.531 6.996 1.00 1.46 N ATOM 826 CA LYS A 52 -20.337 -7.350 6.753 1.00 1.63 C ATOM 827 C LYS A 52 -21.587 -6.483 6.695 1.00 1.60 C ATOM 828 O LYS A 52 -22.461 -6.686 5.857 1.00 1.65 O ATOM 829 CB LYS A 52 -20.486 -8.432 7.830 1.00 1.89 C ATOM 830 CG LYS A 52 -19.329 -9.421 7.873 1.00 2.13 C ATOM 831 CD LYS A 52 -19.069 -10.040 6.506 1.00 2.73 C ATOM 832 CE LYS A 52 -18.008 -11.128 6.575 1.00 3.39 C ATOM 833 NZ LYS A 52 -18.510 -12.350 7.259 1.00 4.02 N ATOM 0 H LYS A 52 -18.682 -6.725 7.877 1.00 1.46 H new ATOM 0 HA LYS A 52 -20.211 -7.845 5.790 1.00 1.63 H new ATOM 0 HB2 LYS A 52 -20.577 -7.951 8.804 1.00 1.89 H new ATOM 0 HB3 LYS A 52 -21.413 -8.979 7.656 1.00 1.89 H new ATOM 0 HG2 LYS A 52 -18.429 -8.914 8.220 1.00 2.13 H new ATOM 0 HG3 LYS A 52 -19.549 -10.209 8.594 1.00 2.13 H new ATOM 0 HD2 LYS A 52 -19.996 -10.459 6.114 1.00 2.73 H new ATOM 0 HD3 LYS A 52 -18.750 -9.264 5.810 1.00 2.73 H new ATOM 0 HE2 LYS A 52 -17.684 -11.384 5.566 1.00 3.39 H new ATOM 0 HE3 LYS A 52 -17.133 -10.749 7.104 1.00 3.39 H new ATOM 0 HZ1 LYS A 52 -17.816 -13.117 7.152 1.00 4.02 H new ATOM 0 HZ2 LYS A 52 -18.651 -12.149 8.270 1.00 4.02 H new ATOM 0 HZ3 LYS A 52 -19.414 -12.639 6.834 1.00 4.02 H new ATOM 847 N LYS A 53 -21.657 -5.494 7.570 1.00 1.58 N ATOM 848 CA LYS A 53 -22.778 -4.568 7.569 1.00 1.61 C ATOM 849 C LYS A 53 -22.825 -3.811 6.245 1.00 1.43 C ATOM 850 O LYS A 53 -23.894 -3.520 5.711 1.00 1.45 O ATOM 851 CB LYS A 53 -22.684 -3.588 8.748 1.00 1.70 C ATOM 852 CG LYS A 53 -21.477 -2.656 8.695 1.00 1.61 C ATOM 853 CD LYS A 53 -21.377 -1.776 9.936 1.00 1.81 C ATOM 854 CE LYS A 53 -22.614 -0.908 10.122 1.00 2.29 C ATOM 855 NZ LYS A 53 -22.478 0.015 11.281 1.00 2.51 N ATOM 0 H LYS A 53 -20.955 -5.312 8.287 1.00 1.58 H new ATOM 0 HA LYS A 53 -23.699 -5.140 7.683 1.00 1.61 H new ATOM 0 HB2 LYS A 53 -23.592 -2.986 8.778 1.00 1.70 H new ATOM 0 HB3 LYS A 53 -22.648 -4.157 9.677 1.00 1.70 H new ATOM 0 HG2 LYS A 53 -20.567 -3.248 8.596 1.00 1.61 H new ATOM 0 HG3 LYS A 53 -21.545 -2.025 7.809 1.00 1.61 H new ATOM 0 HD2 LYS A 53 -21.240 -2.405 10.816 1.00 1.81 H new ATOM 0 HD3 LYS A 53 -20.496 -1.139 9.859 1.00 1.81 H new ATOM 0 HE2 LYS A 53 -22.790 -0.328 9.216 1.00 2.29 H new ATOM 0 HE3 LYS A 53 -23.486 -1.546 10.267 1.00 2.29 H new ATOM 0 HZ1 LYS A 53 -23.341 0.587 11.372 1.00 2.51 H new ATOM 0 HZ2 LYS A 53 -22.336 -0.538 12.150 1.00 2.51 H new ATOM 0 HZ3 LYS A 53 -21.661 0.642 11.132 1.00 2.51 H new ATOM 869 N LYS A 54 -21.653 -3.533 5.696 1.00 1.31 N ATOM 870 CA LYS A 54 -21.556 -2.778 4.465 1.00 1.17 C ATOM 871 C LYS A 54 -22.036 -3.595 3.277 1.00 1.19 C ATOM 872 O LYS A 54 -22.770 -3.092 2.441 1.00 1.21 O ATOM 873 CB LYS A 54 -20.128 -2.273 4.261 1.00 1.09 C ATOM 874 CG LYS A 54 -19.898 -0.912 4.891 1.00 1.22 C ATOM 875 CD LYS A 54 -18.429 -0.545 4.851 1.00 1.37 C ATOM 876 CE LYS A 54 -18.127 0.751 5.585 1.00 1.53 C ATOM 877 NZ LYS A 54 -17.992 0.549 7.052 1.00 2.16 N ATOM 0 H LYS A 54 -20.756 -3.821 6.087 1.00 1.31 H new ATOM 0 HA LYS A 54 -22.212 -1.911 4.542 1.00 1.17 H new ATOM 0 HB2 LYS A 54 -19.428 -2.991 4.688 1.00 1.09 H new ATOM 0 HB3 LYS A 54 -19.915 -2.216 3.194 1.00 1.09 H new ATOM 0 HG2 LYS A 54 -20.481 -0.158 4.362 1.00 1.22 H new ATOM 0 HG3 LYS A 54 -20.248 -0.920 5.923 1.00 1.22 H new ATOM 0 HD2 LYS A 54 -17.845 -1.352 5.293 1.00 1.37 H new ATOM 0 HD3 LYS A 54 -18.110 -0.452 3.813 1.00 1.37 H new ATOM 0 HE2 LYS A 54 -17.206 1.182 5.193 1.00 1.53 H new ATOM 0 HE3 LYS A 54 -18.923 1.470 5.391 1.00 1.53 H new ATOM 0 HZ1 LYS A 54 -17.397 1.302 7.453 1.00 2.16 H new ATOM 0 HZ2 LYS A 54 -18.933 0.579 7.495 1.00 2.16 H new ATOM 0 HZ3 LYS A 54 -17.552 -0.375 7.236 1.00 2.16 H new ATOM 891 N GLU A 55 -21.675 -4.862 3.215 1.00 1.26 N ATOM 892 CA GLU A 55 -22.128 -5.701 2.113 1.00 1.33 C ATOM 893 C GLU A 55 -23.630 -5.936 2.201 1.00 1.46 C ATOM 894 O GLU A 55 -24.269 -6.304 1.217 1.00 1.53 O ATOM 895 CB GLU A 55 -21.386 -7.036 2.071 1.00 1.44 C ATOM 896 CG GLU A 55 -21.528 -7.858 3.336 1.00 1.58 C ATOM 897 CD GLU A 55 -21.438 -9.344 3.066 1.00 1.79 C ATOM 898 OE1 GLU A 55 -20.309 -9.860 2.932 1.00 2.05 O ATOM 899 OE2 GLU A 55 -22.490 -10.012 3.006 1.00 1.96 O ATOM 0 H GLU A 55 -21.081 -5.330 3.899 1.00 1.26 H new ATOM 0 HA GLU A 55 -21.905 -5.169 1.188 1.00 1.33 H new ATOM 0 HB2 GLU A 55 -21.755 -7.619 1.227 1.00 1.44 H new ATOM 0 HB3 GLU A 55 -20.328 -6.847 1.889 1.00 1.44 H new ATOM 0 HG2 GLU A 55 -20.749 -7.571 4.043 1.00 1.58 H new ATOM 0 HG3 GLU A 55 -22.485 -7.634 3.807 1.00 1.58 H new ATOM 906 N GLU A 56 -24.185 -5.750 3.385 1.00 1.51 N ATOM 907 CA GLU A 56 -25.620 -5.892 3.570 1.00 1.64 C ATOM 908 C GLU A 56 -26.363 -4.642 3.102 1.00 1.57 C ATOM 909 O GLU A 56 -27.235 -4.723 2.240 1.00 1.62 O ATOM 910 CB GLU A 56 -25.954 -6.182 5.035 1.00 1.78 C ATOM 911 CG GLU A 56 -25.367 -7.487 5.543 1.00 1.87 C ATOM 912 CD GLU A 56 -25.745 -7.780 6.979 1.00 2.05 C ATOM 913 OE1 GLU A 56 -25.578 -6.891 7.840 1.00 2.40 O ATOM 914 OE2 GLU A 56 -26.202 -8.910 7.260 1.00 2.33 O ATOM 0 H GLU A 56 -23.669 -5.502 4.229 1.00 1.51 H new ATOM 0 HA GLU A 56 -25.948 -6.735 2.962 1.00 1.64 H new ATOM 0 HB2 GLU A 56 -25.586 -5.363 5.652 1.00 1.78 H new ATOM 0 HB3 GLU A 56 -27.037 -6.209 5.154 1.00 1.78 H new ATOM 0 HG2 GLU A 56 -25.708 -8.305 4.908 1.00 1.87 H new ATOM 0 HG3 GLU A 56 -24.281 -7.449 5.458 1.00 1.87 H new ATOM 921 N GLN A 57 -26.017 -3.488 3.666 1.00 1.48 N ATOM 922 CA GLN A 57 -26.767 -2.259 3.388 1.00 1.47 C ATOM 923 C GLN A 57 -25.995 -1.299 2.482 1.00 1.36 C ATOM 924 O GLN A 57 -26.577 -0.668 1.604 1.00 1.40 O ATOM 925 CB GLN A 57 -27.161 -1.560 4.691 1.00 1.55 C ATOM 926 CG GLN A 57 -25.991 -0.968 5.455 1.00 1.59 C ATOM 927 CD GLN A 57 -26.090 -1.209 6.941 1.00 1.75 C ATOM 928 OE1 GLN A 57 -26.671 -0.418 7.680 1.00 2.37 O ATOM 929 NE2 GLN A 57 -25.505 -2.304 7.382 1.00 1.85 N ATOM 0 H GLN A 57 -25.234 -3.374 4.310 1.00 1.48 H new ATOM 0 HA GLN A 57 -27.671 -2.552 2.854 1.00 1.47 H new ATOM 0 HB2 GLN A 57 -27.872 -0.766 4.464 1.00 1.55 H new ATOM 0 HB3 GLN A 57 -27.676 -2.275 5.333 1.00 1.55 H new ATOM 0 HG2 GLN A 57 -25.062 -1.399 5.081 1.00 1.59 H new ATOM 0 HG3 GLN A 57 -25.943 0.105 5.266 1.00 1.59 H new ATOM 0 HE21 GLN A 57 -25.035 -2.930 6.728 1.00 1.85 H new ATOM 0 HE22 GLN A 57 -25.522 -2.526 8.377 1.00 1.85 H new ATOM 938 N ASN A 58 -24.686 -1.199 2.691 1.00 1.27 N ATOM 939 CA ASN A 58 -23.849 -0.277 1.921 1.00 1.21 C ATOM 940 C ASN A 58 -23.422 -0.952 0.611 1.00 1.16 C ATOM 941 O ASN A 58 -22.557 -0.471 -0.121 1.00 1.13 O ATOM 942 CB ASN A 58 -22.619 0.137 2.746 1.00 1.21 C ATOM 943 CG ASN A 58 -22.005 1.463 2.305 1.00 1.55 C ATOM 944 OD1 ASN A 58 -22.083 1.854 1.144 1.00 2.20 O ATOM 945 ND2 ASN A 58 -21.393 2.171 3.243 1.00 1.95 N ATOM 0 H ASN A 58 -24.179 -1.745 3.388 1.00 1.27 H new ATOM 0 HA ASN A 58 -24.418 0.623 1.687 1.00 1.21 H new ATOM 0 HB2 ASN A 58 -22.904 0.209 3.796 1.00 1.21 H new ATOM 0 HB3 ASN A 58 -21.864 -0.645 2.674 1.00 1.21 H new ATOM 0 HD21 ASN A 58 -20.969 3.069 3.009 1.00 1.95 H new ATOM 0 HD22 ASN A 58 -21.345 1.818 4.199 1.00 1.95 H new ATOM 952 N ARG A 59 -24.026 -2.108 0.353 1.00 1.20 N ATOM 953 CA ARG A 59 -23.744 -2.905 -0.829 1.00 1.22 C ATOM 954 C ARG A 59 -23.990 -2.127 -2.112 1.00 1.19 C ATOM 955 O ARG A 59 -24.790 -1.190 -2.154 1.00 1.24 O ATOM 956 CB ARG A 59 -24.595 -4.177 -0.855 1.00 1.36 C ATOM 957 CG ARG A 59 -26.087 -3.922 -0.718 1.00 1.47 C ATOM 958 CD ARG A 59 -26.907 -5.130 -1.152 1.00 1.69 C ATOM 959 NE ARG A 59 -26.446 -6.380 -0.541 1.00 2.08 N ATOM 960 CZ ARG A 59 -26.950 -7.583 -0.830 1.00 2.67 C ATOM 961 NH1 ARG A 59 -27.934 -7.704 -1.714 1.00 2.95 N ATOM 962 NH2 ARG A 59 -26.458 -8.674 -0.249 1.00 3.45 N ATOM 0 H ARG A 59 -24.730 -2.519 0.966 1.00 1.20 H new ATOM 0 HA ARG A 59 -22.688 -3.170 -0.774 1.00 1.22 H new ATOM 0 HB2 ARG A 59 -24.411 -4.707 -1.790 1.00 1.36 H new ATOM 0 HB3 ARG A 59 -24.273 -4.835 -0.048 1.00 1.36 H new ATOM 0 HG2 ARG A 59 -26.321 -3.677 0.318 1.00 1.47 H new ATOM 0 HG3 ARG A 59 -26.365 -3.058 -1.321 1.00 1.47 H new ATOM 0 HD2 ARG A 59 -27.952 -4.967 -0.890 1.00 1.69 H new ATOM 0 HD3 ARG A 59 -26.862 -5.223 -2.237 1.00 1.69 H new ATOM 0 HE ARG A 59 -25.695 -6.328 0.147 1.00 2.08 H new ATOM 0 HH11 ARG A 59 -28.309 -6.876 -2.176 1.00 2.95 H new ATOM 0 HH12 ARG A 59 -28.315 -8.625 -1.930 1.00 2.95 H new ATOM 0 HH21 ARG A 59 -25.693 -8.594 0.420 1.00 3.45 H new ATOM 0 HH22 ARG A 59 -26.846 -9.590 -0.473 1.00 3.45 H new ATOM 976 N GLY A 60 -23.292 -2.540 -3.154 1.00 1.15 N ATOM 977 CA GLY A 60 -23.448 -1.927 -4.458 1.00 1.15 C ATOM 978 C GLY A 60 -22.719 -0.606 -4.581 1.00 1.07 C ATOM 979 O GLY A 60 -22.657 -0.026 -5.666 1.00 1.09 O ATOM 0 H GLY A 60 -22.611 -3.299 -3.121 1.00 1.15 H new ATOM 0 HA2 GLY A 60 -23.079 -2.612 -5.222 1.00 1.15 H new ATOM 0 HA3 GLY A 60 -24.508 -1.770 -4.655 1.00 1.15 H new ATOM 983 N LYS A 61 -22.162 -0.125 -3.479 1.00 1.00 N ATOM 984 CA LYS A 61 -21.491 1.165 -3.473 1.00 0.95 C ATOM 985 C LYS A 61 -20.000 1.024 -3.792 1.00 0.80 C ATOM 986 O LYS A 61 -19.483 -0.088 -3.809 1.00 0.77 O ATOM 987 CB LYS A 61 -21.707 1.878 -2.135 1.00 1.04 C ATOM 988 CG LYS A 61 -23.173 2.160 -1.831 1.00 1.55 C ATOM 989 CD LYS A 61 -23.888 2.789 -3.022 1.00 2.06 C ATOM 990 CE LYS A 61 -23.321 4.153 -3.377 1.00 2.55 C ATOM 991 NZ LYS A 61 -23.786 4.611 -4.712 1.00 3.16 N ATOM 0 H LYS A 61 -22.162 -0.608 -2.580 1.00 1.00 H new ATOM 0 HA LYS A 61 -21.933 1.776 -4.260 1.00 0.95 H new ATOM 0 HB2 LYS A 61 -21.288 1.268 -1.335 1.00 1.04 H new ATOM 0 HB3 LYS A 61 -21.157 2.819 -2.140 1.00 1.04 H new ATOM 0 HG2 LYS A 61 -23.672 1.231 -1.557 1.00 1.55 H new ATOM 0 HG3 LYS A 61 -23.244 2.826 -0.971 1.00 1.55 H new ATOM 0 HD2 LYS A 61 -23.805 2.127 -3.884 1.00 2.06 H new ATOM 0 HD3 LYS A 61 -24.950 2.886 -2.796 1.00 2.06 H new ATOM 0 HE2 LYS A 61 -23.618 4.879 -2.620 1.00 2.55 H new ATOM 0 HE3 LYS A 61 -22.232 4.108 -3.367 1.00 2.55 H new ATOM 0 HZ1 LYS A 61 -23.379 5.545 -4.920 1.00 3.16 H new ATOM 0 HZ2 LYS A 61 -23.481 3.931 -5.438 1.00 3.16 H new ATOM 0 HZ3 LYS A 61 -24.824 4.678 -4.714 1.00 3.16 H new ATOM 1005 N PRO A 62 -19.319 2.159 -4.114 1.00 0.77 N ATOM 1006 CA PRO A 62 -17.879 2.252 -4.423 1.00 0.66 C ATOM 1007 C PRO A 62 -16.974 1.200 -3.767 1.00 0.58 C ATOM 1008 O PRO A 62 -15.985 0.775 -4.362 1.00 0.51 O ATOM 1009 CB PRO A 62 -17.537 3.639 -3.888 1.00 0.70 C ATOM 1010 CG PRO A 62 -18.782 4.451 -4.081 1.00 0.81 C ATOM 1011 CD PRO A 62 -19.933 3.487 -4.267 1.00 0.85 C ATOM 0 HA PRO A 62 -17.705 2.079 -5.485 1.00 0.66 H new ATOM 0 HB2 PRO A 62 -17.253 3.597 -2.836 1.00 0.70 H new ATOM 0 HB3 PRO A 62 -16.696 4.073 -4.428 1.00 0.70 H new ATOM 0 HG2 PRO A 62 -18.957 5.094 -3.219 1.00 0.81 H new ATOM 0 HG3 PRO A 62 -18.684 5.102 -4.950 1.00 0.81 H new ATOM 0 HD2 PRO A 62 -20.715 3.652 -3.526 1.00 0.85 H new ATOM 0 HD3 PRO A 62 -20.394 3.602 -5.248 1.00 0.85 H new ATOM 1019 N ASN A 63 -17.324 0.762 -2.574 1.00 0.64 N ATOM 1020 CA ASN A 63 -16.525 -0.224 -1.854 1.00 0.63 C ATOM 1021 C ASN A 63 -16.544 -1.545 -2.583 1.00 0.56 C ATOM 1022 O ASN A 63 -15.516 -2.209 -2.712 1.00 0.51 O ATOM 1023 CB ASN A 63 -16.992 -0.421 -0.401 1.00 0.79 C ATOM 1024 CG ASN A 63 -18.449 -0.081 -0.097 1.00 1.09 C ATOM 1025 OD1 ASN A 63 -18.907 1.091 -0.497 1.00 1.93 O flip ATOM 1026 ND2 ASN A 63 -19.131 -0.837 0.580 1.00 1.06 N flip ATOM 0 H ASN A 63 -18.159 1.072 -2.077 1.00 0.64 H new ATOM 0 HA ASN A 63 -15.507 0.162 -1.816 1.00 0.63 H new ATOM 0 HB2 ASN A 63 -16.821 -1.462 -0.127 1.00 0.79 H new ATOM 0 HB3 ASN A 63 -16.359 0.187 0.245 1.00 0.79 H new ATOM 0 HD21 ASN A 63 -18.754 -1.737 0.876 1.00 1.06 H new ATOM 0 HD22 ASN A 63 -20.077 -0.568 0.849 1.00 1.06 H new ATOM 1033 N TRP A 64 -17.707 -1.908 -3.074 1.00 0.61 N ATOM 1034 CA TRP A 64 -17.854 -3.114 -3.848 1.00 0.62 C ATOM 1035 C TRP A 64 -17.642 -2.797 -5.303 1.00 0.60 C ATOM 1036 O TRP A 64 -17.277 -3.659 -6.084 1.00 0.66 O ATOM 1037 CB TRP A 64 -19.222 -3.730 -3.631 1.00 0.78 C ATOM 1038 CG TRP A 64 -19.636 -3.602 -2.207 1.00 0.88 C ATOM 1039 CD1 TRP A 64 -20.620 -2.812 -1.717 1.00 1.00 C ATOM 1040 CD2 TRP A 64 -19.020 -4.232 -1.079 1.00 0.93 C ATOM 1041 NE1 TRP A 64 -20.674 -2.916 -0.355 1.00 1.09 N ATOM 1042 CE2 TRP A 64 -19.697 -3.786 0.064 1.00 1.05 C ATOM 1043 CE3 TRP A 64 -17.965 -5.136 -0.930 1.00 0.96 C ATOM 1044 CZ2 TRP A 64 -19.352 -4.210 1.342 1.00 1.16 C ATOM 1045 CZ3 TRP A 64 -17.624 -5.557 0.339 1.00 1.10 C ATOM 1046 CH2 TRP A 64 -18.316 -5.094 1.462 1.00 1.18 C ATOM 0 H TRP A 64 -18.570 -1.379 -2.948 1.00 0.61 H new ATOM 0 HA TRP A 64 -17.108 -3.840 -3.524 1.00 0.62 H new ATOM 0 HB2 TRP A 64 -19.953 -3.239 -4.273 1.00 0.78 H new ATOM 0 HB3 TRP A 64 -19.202 -4.782 -3.916 1.00 0.78 H new ATOM 0 HD1 TRP A 64 -21.269 -2.190 -2.316 1.00 1.00 H new ATOM 0 HE1 TRP A 64 -21.333 -2.427 0.251 1.00 1.09 H new ATOM 0 HE3 TRP A 64 -17.426 -5.499 -1.793 1.00 0.96 H new ATOM 0 HZ2 TRP A 64 -19.885 -3.853 2.211 1.00 1.16 H new ATOM 0 HZ3 TRP A 64 -16.810 -6.255 0.467 1.00 1.10 H new ATOM 0 HH2 TRP A 64 -18.027 -5.441 2.443 1.00 1.18 H new ATOM 1057 N GLU A 65 -17.873 -1.540 -5.650 1.00 0.57 N ATOM 1058 CA GLU A 65 -17.613 -1.054 -6.991 1.00 0.55 C ATOM 1059 C GLU A 65 -16.178 -1.344 -7.402 1.00 0.48 C ATOM 1060 O GLU A 65 -15.924 -1.841 -8.492 1.00 0.51 O ATOM 1061 CB GLU A 65 -17.879 0.443 -7.076 1.00 0.59 C ATOM 1062 CG GLU A 65 -17.215 1.102 -8.270 1.00 0.69 C ATOM 1063 CD GLU A 65 -17.552 2.576 -8.394 1.00 1.11 C ATOM 1064 OE1 GLU A 65 -18.109 3.148 -7.436 1.00 1.28 O ATOM 1065 OE2 GLU A 65 -17.287 3.166 -9.463 1.00 1.59 O ATOM 0 H GLU A 65 -18.243 -0.835 -5.013 1.00 0.57 H new ATOM 0 HA GLU A 65 -18.285 -1.575 -7.673 1.00 0.55 H new ATOM 0 HB2 GLU A 65 -18.955 0.612 -7.128 1.00 0.59 H new ATOM 0 HB3 GLU A 65 -17.525 0.921 -6.162 1.00 0.59 H new ATOM 0 HG2 GLU A 65 -16.134 0.987 -8.187 1.00 0.69 H new ATOM 0 HG3 GLU A 65 -17.522 0.587 -9.180 1.00 0.69 H new ATOM 1072 N HIS A 66 -15.245 -1.019 -6.525 1.00 0.43 N ATOM 1073 CA HIS A 66 -13.845 -1.302 -6.791 1.00 0.38 C ATOM 1074 C HIS A 66 -13.411 -2.603 -6.124 1.00 0.36 C ATOM 1075 O HIS A 66 -12.256 -2.991 -6.220 1.00 0.35 O ATOM 1076 CB HIS A 66 -12.926 -0.133 -6.392 1.00 0.38 C ATOM 1077 CG HIS A 66 -13.042 0.338 -4.975 1.00 0.40 C ATOM 1078 ND1 HIS A 66 -13.199 1.668 -4.638 1.00 0.47 N ATOM 1079 CD2 HIS A 66 -12.961 -0.333 -3.808 1.00 0.40 C ATOM 1080 CE1 HIS A 66 -13.206 1.791 -3.325 1.00 0.52 C ATOM 1081 NE2 HIS A 66 -13.063 0.593 -2.794 1.00 0.47 N ATOM 0 H HIS A 66 -15.428 -0.563 -5.631 1.00 0.43 H new ATOM 0 HA HIS A 66 -13.744 -1.426 -7.869 1.00 0.38 H new ATOM 0 HB2 HIS A 66 -11.893 -0.431 -6.572 1.00 0.38 H new ATOM 0 HB3 HIS A 66 -13.134 0.709 -7.052 1.00 0.38 H new ATOM 0 HD1 HIS A 66 -13.295 2.436 -5.302 1.00 0.47 H new ATOM 0 HD2 HIS A 66 -12.839 -1.400 -3.690 1.00 0.40 H new ATOM 0 HE1 HIS A 66 -13.311 2.716 -2.778 1.00 0.52 H new ATOM 1090 N LEU A 67 -14.342 -3.272 -5.444 1.00 0.38 N ATOM 1091 CA LEU A 67 -14.063 -4.569 -4.818 1.00 0.40 C ATOM 1092 C LEU A 67 -13.690 -5.593 -5.876 1.00 0.41 C ATOM 1093 O LEU A 67 -12.989 -6.575 -5.607 1.00 0.43 O ATOM 1094 CB LEU A 67 -15.289 -5.076 -4.053 1.00 0.48 C ATOM 1095 CG LEU A 67 -15.097 -6.393 -3.301 1.00 0.71 C ATOM 1096 CD1 LEU A 67 -14.478 -6.145 -1.939 1.00 1.01 C ATOM 1097 CD2 LEU A 67 -16.418 -7.135 -3.175 1.00 1.59 C ATOM 0 H LEU A 67 -15.297 -2.939 -5.311 1.00 0.38 H new ATOM 0 HA LEU A 67 -13.234 -4.434 -4.124 1.00 0.40 H new ATOM 0 HB2 LEU A 67 -15.592 -4.311 -3.338 1.00 0.48 H new ATOM 0 HB3 LEU A 67 -16.111 -5.197 -4.758 1.00 0.48 H new ATOM 0 HG LEU A 67 -14.412 -7.020 -3.872 1.00 0.71 H new ATOM 0 HD11 LEU A 67 -14.349 -7.095 -1.419 1.00 1.01 H new ATOM 0 HD12 LEU A 67 -13.507 -5.665 -2.062 1.00 1.01 H new ATOM 0 HD13 LEU A 67 -15.132 -5.497 -1.355 1.00 1.01 H new ATOM 0 HD21 LEU A 67 -16.260 -8.070 -2.637 1.00 1.59 H new ATOM 0 HD22 LEU A 67 -17.131 -6.518 -2.629 1.00 1.59 H new ATOM 0 HD23 LEU A 67 -16.811 -7.350 -4.169 1.00 1.59 H new ATOM 1109 N ASN A 68 -14.157 -5.338 -7.082 1.00 0.43 N ATOM 1110 CA ASN A 68 -13.951 -6.256 -8.193 1.00 0.47 C ATOM 1111 C ASN A 68 -12.634 -5.967 -8.903 1.00 0.44 C ATOM 1112 O ASN A 68 -12.236 -6.691 -9.815 1.00 0.52 O ATOM 1113 CB ASN A 68 -15.134 -6.213 -9.171 1.00 0.57 C ATOM 1114 CG ASN A 68 -15.767 -4.840 -9.276 1.00 0.84 C ATOM 1115 OD1 ASN A 68 -16.782 -4.595 -8.448 1.00 1.86 O flip ATOM 1116 ND2 ASN A 68 -15.360 -4.020 -10.092 1.00 0.58 N flip ATOM 0 H ASN A 68 -14.685 -4.499 -7.322 1.00 0.43 H new ATOM 0 HA ASN A 68 -13.894 -7.266 -7.788 1.00 0.47 H new ATOM 0 HB2 ASN A 68 -14.794 -6.526 -10.158 1.00 0.57 H new ATOM 0 HB3 ASN A 68 -15.889 -6.931 -8.851 1.00 0.57 H new ATOM 0 HD21 ASN A 68 -14.579 -4.255 -10.705 1.00 0.58 H new ATOM 0 HD22 ASN A 68 -15.802 -3.103 -10.158 1.00 0.58 H new ATOM 1123 N GLU A 69 -11.954 -4.915 -8.462 1.00 0.37 N ATOM 1124 CA GLU A 69 -10.596 -4.638 -8.910 1.00 0.37 C ATOM 1125 C GLU A 69 -9.625 -5.433 -8.043 1.00 0.32 C ATOM 1126 O GLU A 69 -10.035 -6.070 -7.064 1.00 0.35 O ATOM 1127 CB GLU A 69 -10.271 -3.144 -8.782 1.00 0.38 C ATOM 1128 CG GLU A 69 -11.262 -2.213 -9.467 1.00 0.45 C ATOM 1129 CD GLU A 69 -10.968 -0.749 -9.180 1.00 1.07 C ATOM 1130 OE1 GLU A 69 -10.381 -0.444 -8.124 1.00 1.39 O ATOM 1131 OE2 GLU A 69 -11.322 0.108 -10.017 1.00 1.85 O ATOM 0 H GLU A 69 -12.323 -4.239 -7.793 1.00 0.37 H new ATOM 0 HA GLU A 69 -10.504 -4.924 -9.958 1.00 0.37 H new ATOM 0 HB2 GLU A 69 -10.224 -2.886 -7.724 1.00 0.38 H new ATOM 0 HB3 GLU A 69 -9.279 -2.966 -9.198 1.00 0.38 H new ATOM 0 HG2 GLU A 69 -11.233 -2.383 -10.543 1.00 0.45 H new ATOM 0 HG3 GLU A 69 -12.272 -2.451 -9.133 1.00 0.45 H new ATOM 1138 N ASP A 70 -8.348 -5.404 -8.383 1.00 0.32 N ATOM 1139 CA ASP A 70 -7.341 -6.001 -7.519 1.00 0.30 C ATOM 1140 C ASP A 70 -6.868 -4.956 -6.518 1.00 0.22 C ATOM 1141 O ASP A 70 -6.772 -3.774 -6.855 1.00 0.24 O ATOM 1142 CB ASP A 70 -6.159 -6.565 -8.311 1.00 0.41 C ATOM 1143 CG ASP A 70 -5.354 -7.561 -7.492 1.00 0.63 C ATOM 1144 OD1 ASP A 70 -5.730 -8.754 -7.474 1.00 1.21 O ATOM 1145 OD2 ASP A 70 -4.363 -7.160 -6.856 1.00 1.10 O ATOM 0 H ASP A 70 -7.986 -4.981 -9.238 1.00 0.32 H new ATOM 0 HA ASP A 70 -7.793 -6.843 -6.994 1.00 0.30 H new ATOM 0 HB2 ASP A 70 -6.526 -7.051 -9.215 1.00 0.41 H new ATOM 0 HB3 ASP A 70 -5.511 -5.748 -8.628 1.00 0.41 H new ATOM 1150 N LEU A 71 -6.612 -5.398 -5.291 1.00 0.19 N ATOM 1151 CA LEU A 71 -6.292 -4.507 -4.175 1.00 0.17 C ATOM 1152 C LEU A 71 -5.150 -3.551 -4.517 1.00 0.17 C ATOM 1153 O LEU A 71 -4.041 -3.962 -4.826 1.00 0.20 O ATOM 1154 CB LEU A 71 -5.908 -5.341 -2.953 1.00 0.19 C ATOM 1155 CG LEU A 71 -5.505 -4.551 -1.709 1.00 0.41 C ATOM 1156 CD1 LEU A 71 -6.576 -3.541 -1.344 1.00 0.90 C ATOM 1157 CD2 LEU A 71 -5.254 -5.499 -0.550 1.00 0.79 C ATOM 0 H LEU A 71 -6.620 -6.386 -5.039 1.00 0.19 H new ATOM 0 HA LEU A 71 -7.177 -3.907 -3.963 1.00 0.17 H new ATOM 0 HB2 LEU A 71 -6.750 -5.983 -2.696 1.00 0.19 H new ATOM 0 HB3 LEU A 71 -5.081 -5.995 -3.229 1.00 0.19 H new ATOM 0 HG LEU A 71 -4.585 -4.007 -1.926 1.00 0.41 H new ATOM 0 HD11 LEU A 71 -6.268 -2.990 -0.455 1.00 0.90 H new ATOM 0 HD12 LEU A 71 -6.718 -2.846 -2.171 1.00 0.90 H new ATOM 0 HD13 LEU A 71 -7.513 -4.061 -1.142 1.00 0.90 H new ATOM 0 HD21 LEU A 71 -4.967 -4.927 0.332 1.00 0.79 H new ATOM 0 HD22 LEU A 71 -6.162 -6.063 -0.338 1.00 0.79 H new ATOM 0 HD23 LEU A 71 -4.452 -6.189 -0.812 1.00 0.79 H new ATOM 1169 N HIS A 72 -5.442 -2.270 -4.502 1.00 0.17 N ATOM 1170 CA HIS A 72 -4.425 -1.263 -4.722 1.00 0.17 C ATOM 1171 C HIS A 72 -4.739 -0.007 -3.929 1.00 0.17 C ATOM 1172 O HIS A 72 -5.892 0.244 -3.594 1.00 0.21 O ATOM 1173 CB HIS A 72 -4.287 -0.954 -6.210 1.00 0.20 C ATOM 1174 CG HIS A 72 -5.519 -0.402 -6.858 1.00 0.23 C ATOM 1175 ND1 HIS A 72 -6.470 -1.198 -7.456 1.00 0.29 N ATOM 1176 CD2 HIS A 72 -5.928 0.873 -7.046 1.00 0.25 C ATOM 1177 CE1 HIS A 72 -7.403 -0.440 -7.994 1.00 0.32 C ATOM 1178 NE2 HIS A 72 -7.100 0.823 -7.759 1.00 0.29 N ATOM 0 H HIS A 72 -6.378 -1.899 -4.339 1.00 0.17 H new ATOM 0 HA HIS A 72 -3.470 -1.653 -4.371 1.00 0.17 H new ATOM 0 HB2 HIS A 72 -3.474 -0.241 -6.344 1.00 0.20 H new ATOM 0 HB3 HIS A 72 -3.999 -1.867 -6.730 1.00 0.20 H new ATOM 0 HD1 HIS A 72 -6.454 -2.218 -7.479 1.00 0.29 H new ATOM 0 HD2 HIS A 72 -5.426 1.764 -6.700 1.00 0.25 H new ATOM 0 HE1 HIS A 72 -8.269 -0.792 -8.535 1.00 0.32 H new ATOM 1187 N VAL A 73 -3.735 0.806 -3.671 1.00 0.19 N ATOM 1188 CA VAL A 73 -3.940 2.009 -2.882 1.00 0.19 C ATOM 1189 C VAL A 73 -3.961 3.209 -3.800 1.00 0.20 C ATOM 1190 O VAL A 73 -3.025 3.451 -4.555 1.00 0.28 O ATOM 1191 CB VAL A 73 -2.881 2.199 -1.775 1.00 0.23 C ATOM 1192 CG1 VAL A 73 -3.066 1.163 -0.679 1.00 0.27 C ATOM 1193 CG2 VAL A 73 -1.472 2.119 -2.337 1.00 0.29 C ATOM 0 H VAL A 73 -2.778 0.661 -3.991 1.00 0.19 H new ATOM 0 HA VAL A 73 -4.897 1.904 -2.372 1.00 0.19 H new ATOM 0 HB VAL A 73 -3.020 3.193 -1.351 1.00 0.23 H new ATOM 0 HG11 VAL A 73 -2.311 1.311 0.093 1.00 0.27 H new ATOM 0 HG12 VAL A 73 -4.059 1.270 -0.241 1.00 0.27 H new ATOM 0 HG13 VAL A 73 -2.961 0.164 -1.101 1.00 0.27 H new ATOM 0 HG21 VAL A 73 -0.751 2.257 -1.532 1.00 0.29 H new ATOM 0 HG22 VAL A 73 -1.319 1.143 -2.798 1.00 0.29 H new ATOM 0 HG23 VAL A 73 -1.334 2.899 -3.085 1.00 0.29 H new ATOM 1203 N LEU A 74 -5.048 3.935 -3.769 1.00 0.18 N ATOM 1204 CA LEU A 74 -5.248 5.012 -4.705 1.00 0.18 C ATOM 1205 C LEU A 74 -5.472 6.324 -3.991 1.00 0.18 C ATOM 1206 O LEU A 74 -6.423 6.483 -3.233 1.00 0.19 O ATOM 1207 CB LEU A 74 -6.423 4.669 -5.632 1.00 0.22 C ATOM 1208 CG LEU A 74 -7.218 5.854 -6.179 1.00 0.37 C ATOM 1209 CD1 LEU A 74 -6.333 6.815 -6.924 1.00 1.10 C ATOM 1210 CD2 LEU A 74 -8.351 5.367 -7.062 1.00 0.80 C ATOM 0 H LEU A 74 -5.810 3.800 -3.105 1.00 0.18 H new ATOM 0 HA LEU A 74 -4.348 5.131 -5.308 1.00 0.18 H new ATOM 0 HB2 LEU A 74 -6.038 4.096 -6.475 1.00 0.22 H new ATOM 0 HB3 LEU A 74 -7.108 4.017 -5.090 1.00 0.22 H new ATOM 0 HG LEU A 74 -7.644 6.392 -5.332 1.00 0.37 H new ATOM 0 HD11 LEU A 74 -6.932 7.645 -7.299 1.00 1.10 H new ATOM 0 HD12 LEU A 74 -5.564 7.197 -6.253 1.00 1.10 H new ATOM 0 HD13 LEU A 74 -5.861 6.301 -7.761 1.00 1.10 H new ATOM 0 HD21 LEU A 74 -8.908 6.222 -7.444 1.00 0.80 H new ATOM 0 HD22 LEU A 74 -7.943 4.798 -7.897 1.00 0.80 H new ATOM 0 HD23 LEU A 74 -9.018 4.730 -6.480 1.00 0.80 H new ATOM 1222 N ILE A 75 -4.581 7.260 -4.256 1.00 0.19 N ATOM 1223 CA ILE A 75 -4.764 8.615 -3.802 1.00 0.18 C ATOM 1224 C ILE A 75 -5.668 9.351 -4.778 1.00 0.18 C ATOM 1225 O ILE A 75 -5.282 9.656 -5.910 1.00 0.21 O ATOM 1226 CB ILE A 75 -3.418 9.367 -3.663 1.00 0.21 C ATOM 1227 CG1 ILE A 75 -2.421 8.890 -4.724 1.00 0.27 C ATOM 1228 CG2 ILE A 75 -2.850 9.216 -2.260 1.00 0.22 C ATOM 1229 CD1 ILE A 75 -1.197 9.769 -4.843 1.00 0.30 C ATOM 0 H ILE A 75 -3.723 7.101 -4.785 1.00 0.19 H new ATOM 0 HA ILE A 75 -5.222 8.582 -2.813 1.00 0.18 H new ATOM 0 HB ILE A 75 -3.601 10.429 -3.829 1.00 0.21 H new ATOM 0 HG12 ILE A 75 -2.107 7.874 -4.484 1.00 0.27 H new ATOM 0 HG13 ILE A 75 -2.924 8.849 -5.690 1.00 0.27 H new ATOM 0 HG21 ILE A 75 -1.905 9.754 -2.190 1.00 0.22 H new ATOM 0 HG22 ILE A 75 -3.555 9.625 -1.536 1.00 0.22 H new ATOM 0 HG23 ILE A 75 -2.683 8.160 -2.047 1.00 0.22 H new ATOM 0 HD11 ILE A 75 -0.536 9.370 -5.613 1.00 0.30 H new ATOM 0 HD12 ILE A 75 -1.500 10.780 -5.113 1.00 0.30 H new ATOM 0 HD13 ILE A 75 -0.671 9.791 -3.889 1.00 0.30 H new ATOM 1241 N THR A 76 -6.874 9.626 -4.326 1.00 0.17 N ATOM 1242 CA THR A 76 -7.862 10.291 -5.144 1.00 0.20 C ATOM 1243 C THR A 76 -7.988 11.746 -4.728 1.00 0.19 C ATOM 1244 O THR A 76 -8.574 12.053 -3.690 1.00 0.22 O ATOM 1245 CB THR A 76 -9.232 9.619 -4.992 1.00 0.24 C ATOM 1246 OG1 THR A 76 -9.085 8.322 -4.396 1.00 0.25 O ATOM 1247 CG2 THR A 76 -9.899 9.472 -6.335 1.00 0.31 C ATOM 0 H THR A 76 -7.194 9.395 -3.385 1.00 0.17 H new ATOM 0 HA THR A 76 -7.538 10.225 -6.183 1.00 0.20 H new ATOM 0 HB THR A 76 -9.849 10.248 -4.350 1.00 0.24 H new ATOM 0 HG1 THR A 76 -9.090 8.408 -3.420 1.00 0.25 H new ATOM 0 HG21 THR A 76 -10.870 8.993 -6.209 1.00 0.31 H new ATOM 0 HG22 THR A 76 -10.035 10.456 -6.783 1.00 0.31 H new ATOM 0 HG23 THR A 76 -9.275 8.860 -6.986 1.00 0.31 H new ATOM 1255 N VAL A 77 -7.469 12.643 -5.542 1.00 0.23 N ATOM 1256 CA VAL A 77 -7.467 14.042 -5.199 1.00 0.25 C ATOM 1257 C VAL A 77 -8.333 14.800 -6.185 1.00 0.33 C ATOM 1258 O VAL A 77 -8.079 14.819 -7.393 1.00 0.44 O ATOM 1259 CB VAL A 77 -6.030 14.616 -5.172 1.00 0.35 C ATOM 1260 CG1 VAL A 77 -5.308 14.371 -6.485 1.00 0.75 C ATOM 1261 CG2 VAL A 77 -6.044 16.095 -4.835 1.00 0.86 C ATOM 0 H VAL A 77 -7.045 12.424 -6.443 1.00 0.23 H new ATOM 0 HA VAL A 77 -7.877 14.157 -4.196 1.00 0.25 H new ATOM 0 HB VAL A 77 -5.482 14.091 -4.389 1.00 0.35 H new ATOM 0 HG11 VAL A 77 -4.302 14.787 -6.430 1.00 0.75 H new ATOM 0 HG12 VAL A 77 -5.247 13.299 -6.672 1.00 0.75 H new ATOM 0 HG13 VAL A 77 -5.855 14.851 -7.296 1.00 0.75 H new ATOM 0 HG21 VAL A 77 -5.022 16.475 -4.822 1.00 0.86 H new ATOM 0 HG22 VAL A 77 -6.622 16.634 -5.586 1.00 0.86 H new ATOM 0 HG23 VAL A 77 -6.498 16.240 -3.855 1.00 0.86 H new ATOM 1271 N GLU A 78 -9.401 15.373 -5.673 1.00 0.37 N ATOM 1272 CA GLU A 78 -10.340 16.064 -6.518 1.00 0.50 C ATOM 1273 C GLU A 78 -9.994 17.540 -6.561 1.00 0.63 C ATOM 1274 O GLU A 78 -10.458 18.328 -5.736 1.00 0.77 O ATOM 1275 CB GLU A 78 -11.761 15.833 -6.006 1.00 0.63 C ATOM 1276 CG GLU A 78 -12.113 14.355 -5.912 1.00 0.62 C ATOM 1277 CD GLU A 78 -13.478 14.095 -5.311 1.00 1.09 C ATOM 1278 OE1 GLU A 78 -14.477 14.159 -6.052 1.00 1.55 O ATOM 1279 OE2 GLU A 78 -13.562 13.860 -4.089 1.00 1.63 O ATOM 0 H GLU A 78 -9.637 15.372 -4.681 1.00 0.37 H new ATOM 0 HA GLU A 78 -10.283 15.675 -7.535 1.00 0.50 H new ATOM 0 HB2 GLU A 78 -11.869 16.292 -5.023 1.00 0.63 H new ATOM 0 HB3 GLU A 78 -12.468 16.330 -6.670 1.00 0.63 H new ATOM 0 HG2 GLU A 78 -12.075 13.917 -6.909 1.00 0.62 H new ATOM 0 HG3 GLU A 78 -11.358 13.848 -5.312 1.00 0.62 H new ATOM 1286 N ASP A 79 -9.162 17.882 -7.537 1.00 0.66 N ATOM 1287 CA ASP A 79 -8.701 19.248 -7.761 1.00 0.84 C ATOM 1288 C ASP A 79 -7.620 19.219 -8.833 1.00 0.75 C ATOM 1289 O ASP A 79 -7.105 18.149 -9.166 1.00 1.08 O ATOM 1290 CB ASP A 79 -8.132 19.872 -6.481 1.00 1.20 C ATOM 1291 CG ASP A 79 -8.302 21.378 -6.452 1.00 1.67 C ATOM 1292 OD1 ASP A 79 -7.649 22.077 -7.256 1.00 1.81 O ATOM 1293 OD2 ASP A 79 -9.098 21.871 -5.624 1.00 2.05 O ATOM 0 H ASP A 79 -8.783 17.210 -8.204 1.00 0.66 H new ATOM 0 HA ASP A 79 -9.549 19.856 -8.076 1.00 0.84 H new ATOM 0 HB2 ASP A 79 -8.629 19.436 -5.614 1.00 1.20 H new ATOM 0 HB3 ASP A 79 -7.073 19.626 -6.399 1.00 1.20 H new ATOM 1298 N ALA A 80 -7.292 20.373 -9.386 1.00 0.91 N ATOM 1299 CA ALA A 80 -6.285 20.454 -10.439 1.00 1.17 C ATOM 1300 C ALA A 80 -4.925 20.888 -9.892 1.00 1.09 C ATOM 1301 O ALA A 80 -3.941 20.944 -10.632 1.00 1.60 O ATOM 1302 CB ALA A 80 -6.745 21.407 -11.530 1.00 1.85 C ATOM 0 H ALA A 80 -7.706 21.269 -9.127 1.00 0.91 H new ATOM 0 HA ALA A 80 -6.165 19.456 -10.861 1.00 1.17 H new ATOM 0 HB1 ALA A 80 -5.986 21.460 -12.311 1.00 1.85 H new ATOM 0 HB2 ALA A 80 -7.681 21.046 -11.957 1.00 1.85 H new ATOM 0 HB3 ALA A 80 -6.899 22.399 -11.105 1.00 1.85 H new ATOM 1308 N GLN A 81 -4.876 21.195 -8.599 1.00 1.04 N ATOM 1309 CA GLN A 81 -3.663 21.727 -7.980 1.00 1.65 C ATOM 1310 C GLN A 81 -2.538 20.690 -7.926 1.00 0.98 C ATOM 1311 O GLN A 81 -2.689 19.608 -7.348 1.00 0.75 O ATOM 1312 CB GLN A 81 -3.959 22.237 -6.566 1.00 2.75 C ATOM 1313 CG GLN A 81 -4.990 23.350 -6.515 1.00 3.72 C ATOM 1314 CD GLN A 81 -5.157 23.928 -5.121 1.00 4.69 C ATOM 1315 OE1 GLN A 81 -4.399 24.965 -4.821 1.00 5.14 O flip ATOM 1316 NE2 GLN A 81 -5.965 23.450 -4.325 1.00 5.39 N flip ATOM 0 H GLN A 81 -5.662 21.085 -7.958 1.00 1.04 H new ATOM 0 HA GLN A 81 -3.327 22.554 -8.605 1.00 1.65 H new ATOM 0 HB2 GLN A 81 -4.308 21.404 -5.956 1.00 2.75 H new ATOM 0 HB3 GLN A 81 -3.032 22.594 -6.118 1.00 2.75 H new ATOM 0 HG2 GLN A 81 -4.696 24.144 -7.201 1.00 3.72 H new ATOM 0 HG3 GLN A 81 -5.950 22.968 -6.863 1.00 3.72 H new ATOM 0 HE21 GLN A 81 -6.533 22.647 -4.595 1.00 5.39 H new ATOM 0 HE22 GLN A 81 -6.066 23.857 -3.395 1.00 5.39 H new ATOM 1325 N ASN A 82 -1.403 21.040 -8.525 1.00 0.84 N ATOM 1326 CA ASN A 82 -0.207 20.200 -8.471 1.00 0.71 C ATOM 1327 C ASN A 82 0.355 20.172 -7.055 1.00 0.59 C ATOM 1328 O ASN A 82 0.928 19.173 -6.623 1.00 0.56 O ATOM 1329 CB ASN A 82 0.864 20.703 -9.445 1.00 1.13 C ATOM 1330 CG ASN A 82 0.463 20.560 -10.904 1.00 1.74 C ATOM 1331 OD1 ASN A 82 0.832 21.384 -11.740 1.00 2.48 O ATOM 1332 ND2 ASN A 82 -0.274 19.506 -11.224 1.00 2.28 N ATOM 0 H ASN A 82 -1.285 21.903 -9.056 1.00 0.84 H new ATOM 0 HA ASN A 82 -0.493 19.190 -8.764 1.00 0.71 H new ATOM 0 HB2 ASN A 82 1.074 21.752 -9.234 1.00 1.13 H new ATOM 0 HB3 ASN A 82 1.789 20.152 -9.274 1.00 1.13 H new ATOM 0 HD21 ASN A 82 -0.555 19.356 -12.193 1.00 2.28 H new ATOM 0 HD22 ASN A 82 -0.560 18.845 -10.501 1.00 2.28 H new ATOM 1339 N ARG A 83 0.186 21.276 -6.328 1.00 0.65 N ATOM 1340 CA ARG A 83 0.574 21.327 -4.921 1.00 0.63 C ATOM 1341 C ARG A 83 -0.214 20.296 -4.121 1.00 0.46 C ATOM 1342 O ARG A 83 0.313 19.686 -3.186 1.00 0.43 O ATOM 1343 CB ARG A 83 0.362 22.730 -4.339 1.00 0.81 C ATOM 1344 CG ARG A 83 -1.030 23.287 -4.571 1.00 1.66 C ATOM 1345 CD ARG A 83 -1.179 24.682 -3.993 1.00 2.10 C ATOM 1346 NE ARG A 83 -1.285 24.674 -2.537 1.00 2.64 N ATOM 1347 CZ ARG A 83 -1.271 25.774 -1.788 1.00 3.34 C ATOM 1348 NH1 ARG A 83 -1.126 26.966 -2.356 1.00 3.68 N ATOM 1349 NH2 ARG A 83 -1.411 25.688 -0.472 1.00 4.17 N ATOM 0 H ARG A 83 -0.215 22.142 -6.688 1.00 0.65 H new ATOM 0 HA ARG A 83 1.636 21.092 -4.853 1.00 0.63 H new ATOM 0 HB2 ARG A 83 0.557 22.702 -3.267 1.00 0.81 H new ATOM 0 HB3 ARG A 83 1.093 23.409 -4.778 1.00 0.81 H new ATOM 0 HG2 ARG A 83 -1.239 23.312 -5.641 1.00 1.66 H new ATOM 0 HG3 ARG A 83 -1.767 22.624 -4.118 1.00 1.66 H new ATOM 0 HD2 ARG A 83 -0.323 25.288 -4.289 1.00 2.10 H new ATOM 0 HD3 ARG A 83 -2.065 25.155 -4.416 1.00 2.10 H new ATOM 0 HE ARG A 83 -1.375 23.773 -2.067 1.00 2.64 H new ATOM 0 HH11 ARG A 83 -1.025 27.040 -3.368 1.00 3.68 H new ATOM 0 HH12 ARG A 83 -1.116 27.808 -1.780 1.00 3.68 H new ATOM 0 HH21 ARG A 83 -1.530 24.776 -0.030 1.00 4.17 H new ATOM 0 HH22 ARG A 83 -1.400 26.534 0.098 1.00 4.17 H new ATOM 1363 N ALA A 84 -1.473 20.089 -4.510 1.00 0.43 N ATOM 1364 CA ALA A 84 -2.297 19.070 -3.886 1.00 0.38 C ATOM 1365 C ALA A 84 -1.642 17.717 -4.048 1.00 0.29 C ATOM 1366 O ALA A 84 -1.243 17.101 -3.062 1.00 0.35 O ATOM 1367 CB ALA A 84 -3.704 19.044 -4.475 1.00 0.49 C ATOM 0 H ALA A 84 -1.937 20.614 -5.251 1.00 0.43 H new ATOM 0 HA ALA A 84 -2.387 19.311 -2.827 1.00 0.38 H new ATOM 0 HB1 ALA A 84 -4.290 18.268 -3.982 1.00 0.49 H new ATOM 0 HB2 ALA A 84 -4.181 20.012 -4.321 1.00 0.49 H new ATOM 0 HB3 ALA A 84 -3.648 18.833 -5.543 1.00 0.49 H new ATOM 1373 N GLU A 85 -1.474 17.290 -5.301 1.00 0.25 N ATOM 1374 CA GLU A 85 -0.981 15.945 -5.592 1.00 0.26 C ATOM 1375 C GLU A 85 0.387 15.703 -4.955 1.00 0.28 C ATOM 1376 O GLU A 85 0.689 14.590 -4.534 1.00 0.34 O ATOM 1377 CB GLU A 85 -0.931 15.687 -7.105 1.00 0.34 C ATOM 1378 CG GLU A 85 0.072 16.551 -7.852 1.00 0.49 C ATOM 1379 CD GLU A 85 0.138 16.241 -9.331 1.00 0.79 C ATOM 1380 OE1 GLU A 85 0.852 15.290 -9.713 1.00 1.31 O ATOM 1381 OE2 GLU A 85 -0.513 16.954 -10.124 1.00 1.24 O ATOM 0 H GLU A 85 -1.672 17.855 -6.127 1.00 0.25 H new ATOM 0 HA GLU A 85 -1.684 15.238 -5.152 1.00 0.26 H new ATOM 0 HB2 GLU A 85 -0.688 14.638 -7.275 1.00 0.34 H new ATOM 0 HB3 GLU A 85 -1.923 15.857 -7.524 1.00 0.34 H new ATOM 0 HG2 GLU A 85 -0.191 17.600 -7.718 1.00 0.49 H new ATOM 0 HG3 GLU A 85 1.060 16.412 -7.413 1.00 0.49 H new ATOM 1388 N LEU A 86 1.193 16.753 -4.860 1.00 0.30 N ATOM 1389 CA LEU A 86 2.502 16.664 -4.221 1.00 0.36 C ATOM 1390 C LEU A 86 2.345 16.279 -2.741 1.00 0.28 C ATOM 1391 O LEU A 86 3.122 15.490 -2.197 1.00 0.28 O ATOM 1392 CB LEU A 86 3.231 18.013 -4.365 1.00 0.47 C ATOM 1393 CG LEU A 86 4.761 18.007 -4.183 1.00 0.73 C ATOM 1394 CD1 LEU A 86 5.152 17.810 -2.726 1.00 1.45 C ATOM 1395 CD2 LEU A 86 5.404 16.938 -5.056 1.00 1.47 C ATOM 0 H LEU A 86 0.963 17.680 -5.218 1.00 0.30 H new ATOM 0 HA LEU A 86 3.095 15.890 -4.708 1.00 0.36 H new ATOM 0 HB2 LEU A 86 3.010 18.413 -5.354 1.00 0.47 H new ATOM 0 HB3 LEU A 86 2.807 18.706 -3.639 1.00 0.47 H new ATOM 0 HG LEU A 86 5.131 18.983 -4.497 1.00 0.73 H new ATOM 0 HD11 LEU A 86 6.238 17.811 -2.637 1.00 1.45 H new ATOM 0 HD12 LEU A 86 4.738 18.620 -2.125 1.00 1.45 H new ATOM 0 HD13 LEU A 86 4.760 16.857 -2.370 1.00 1.45 H new ATOM 0 HD21 LEU A 86 6.484 16.952 -4.912 1.00 1.47 H new ATOM 0 HD22 LEU A 86 5.013 15.959 -4.779 1.00 1.47 H new ATOM 0 HD23 LEU A 86 5.175 17.137 -6.103 1.00 1.47 H new ATOM 1407 N LYS A 87 1.320 16.821 -2.105 1.00 0.24 N ATOM 1408 CA LYS A 87 1.094 16.593 -0.683 1.00 0.22 C ATOM 1409 C LYS A 87 0.631 15.154 -0.425 1.00 0.18 C ATOM 1410 O LYS A 87 1.117 14.481 0.489 1.00 0.20 O ATOM 1411 CB LYS A 87 0.068 17.606 -0.170 1.00 0.27 C ATOM 1412 CG LYS A 87 0.012 17.743 1.343 1.00 0.29 C ATOM 1413 CD LYS A 87 -0.807 18.962 1.735 1.00 0.75 C ATOM 1414 CE LYS A 87 -0.907 19.124 3.240 1.00 1.40 C ATOM 1415 NZ LYS A 87 -1.652 20.355 3.606 1.00 1.74 N ATOM 0 H LYS A 87 0.628 17.424 -2.550 1.00 0.24 H new ATOM 0 HA LYS A 87 2.030 16.731 -0.142 1.00 0.22 H new ATOM 0 HB2 LYS A 87 0.294 18.581 -0.601 1.00 0.27 H new ATOM 0 HB3 LYS A 87 -0.919 17.318 -0.532 1.00 0.27 H new ATOM 0 HG2 LYS A 87 -0.427 16.846 1.780 1.00 0.29 H new ATOM 0 HG3 LYS A 87 1.022 17.831 1.744 1.00 0.29 H new ATOM 0 HD2 LYS A 87 -0.355 19.855 1.304 1.00 0.75 H new ATOM 0 HD3 LYS A 87 -1.808 18.876 1.313 1.00 0.75 H new ATOM 0 HE2 LYS A 87 -1.406 18.255 3.668 1.00 1.40 H new ATOM 0 HE3 LYS A 87 0.094 19.161 3.670 1.00 1.40 H new ATOM 0 HZ1 LYS A 87 -1.323 20.698 4.531 1.00 1.74 H new ATOM 0 HZ2 LYS A 87 -1.487 21.087 2.886 1.00 1.74 H new ATOM 0 HZ3 LYS A 87 -2.669 20.143 3.657 1.00 1.74 H new ATOM 1429 N LEU A 88 -0.299 14.678 -1.240 1.00 0.19 N ATOM 1430 CA LEU A 88 -0.794 13.307 -1.111 1.00 0.21 C ATOM 1431 C LEU A 88 0.250 12.286 -1.538 1.00 0.21 C ATOM 1432 O LEU A 88 0.330 11.214 -0.951 1.00 0.22 O ATOM 1433 CB LEU A 88 -2.088 13.109 -1.897 1.00 0.30 C ATOM 1434 CG LEU A 88 -2.168 13.851 -3.226 1.00 0.54 C ATOM 1435 CD1 LEU A 88 -2.612 12.923 -4.332 1.00 1.09 C ATOM 1436 CD2 LEU A 88 -3.134 15.012 -3.113 1.00 1.33 C ATOM 0 H LEU A 88 -0.727 15.214 -1.995 1.00 0.19 H new ATOM 0 HA LEU A 88 -1.006 13.144 -0.054 1.00 0.21 H new ATOM 0 HB2 LEU A 88 -2.218 12.044 -2.087 1.00 0.30 H new ATOM 0 HB3 LEU A 88 -2.924 13.426 -1.273 1.00 0.30 H new ATOM 0 HG LEU A 88 -1.175 14.229 -3.468 1.00 0.54 H new ATOM 0 HD11 LEU A 88 -2.662 13.474 -5.271 1.00 1.09 H new ATOM 0 HD12 LEU A 88 -1.898 12.105 -4.429 1.00 1.09 H new ATOM 0 HD13 LEU A 88 -3.597 12.520 -4.095 1.00 1.09 H new ATOM 0 HD21 LEU A 88 -3.185 15.537 -4.067 1.00 1.33 H new ATOM 0 HD22 LEU A 88 -4.124 14.638 -2.851 1.00 1.33 H new ATOM 0 HD23 LEU A 88 -2.789 15.698 -2.339 1.00 1.33 H new ATOM 1448 N LYS A 89 1.062 12.619 -2.539 1.00 0.26 N ATOM 1449 CA LYS A 89 2.070 11.676 -3.023 1.00 0.31 C ATOM 1450 C LYS A 89 3.127 11.409 -1.959 1.00 0.29 C ATOM 1451 O LYS A 89 3.590 10.287 -1.830 1.00 0.30 O ATOM 1452 CB LYS A 89 2.714 12.127 -4.355 1.00 0.41 C ATOM 1453 CG LYS A 89 3.540 13.409 -4.298 1.00 0.47 C ATOM 1454 CD LYS A 89 4.956 13.179 -3.781 1.00 0.90 C ATOM 1455 CE LYS A 89 5.801 12.377 -4.758 1.00 1.05 C ATOM 1456 NZ LYS A 89 7.158 12.093 -4.215 1.00 2.07 N ATOM 0 H LYS A 89 1.045 13.516 -3.023 1.00 0.26 H new ATOM 0 HA LYS A 89 1.552 10.740 -3.230 1.00 0.31 H new ATOM 0 HB2 LYS A 89 3.353 11.322 -4.717 1.00 0.41 H new ATOM 0 HB3 LYS A 89 1.922 12.261 -5.092 1.00 0.41 H new ATOM 0 HG2 LYS A 89 3.589 13.848 -5.294 1.00 0.47 H new ATOM 0 HG3 LYS A 89 3.037 14.131 -3.655 1.00 0.47 H new ATOM 0 HD2 LYS A 89 5.434 14.141 -3.595 1.00 0.90 H new ATOM 0 HD3 LYS A 89 4.912 12.655 -2.826 1.00 0.90 H new ATOM 0 HE2 LYS A 89 5.298 11.438 -4.987 1.00 1.05 H new ATOM 0 HE3 LYS A 89 5.893 12.926 -5.695 1.00 1.05 H new ATOM 0 HZ1 LYS A 89 7.875 12.339 -4.927 1.00 2.07 H new ATOM 0 HZ2 LYS A 89 7.314 12.659 -3.356 1.00 2.07 H new ATOM 0 HZ3 LYS A 89 7.234 11.082 -3.982 1.00 2.07 H new ATOM 1470 N ARG A 90 3.501 12.424 -1.186 1.00 0.27 N ATOM 1471 CA ARG A 90 4.487 12.216 -0.129 1.00 0.30 C ATOM 1472 C ARG A 90 3.887 11.345 0.973 1.00 0.25 C ATOM 1473 O ARG A 90 4.532 10.419 1.472 1.00 0.28 O ATOM 1474 CB ARG A 90 5.014 13.542 0.449 1.00 0.36 C ATOM 1475 CG ARG A 90 3.955 14.403 1.111 1.00 0.35 C ATOM 1476 CD ARG A 90 4.563 15.547 1.903 1.00 0.75 C ATOM 1477 NE ARG A 90 5.359 16.446 1.066 1.00 1.44 N ATOM 1478 CZ ARG A 90 5.625 17.713 1.381 1.00 1.98 C ATOM 1479 NH1 ARG A 90 5.184 18.222 2.526 1.00 2.10 N ATOM 1480 NH2 ARG A 90 6.348 18.465 0.564 1.00 2.93 N ATOM 0 H ARG A 90 3.147 13.377 -1.267 1.00 0.27 H new ATOM 0 HA ARG A 90 5.343 11.705 -0.569 1.00 0.30 H new ATOM 0 HB2 ARG A 90 5.794 13.322 1.178 1.00 0.36 H new ATOM 0 HB3 ARG A 90 5.480 14.114 -0.353 1.00 0.36 H new ATOM 0 HG2 ARG A 90 3.287 14.805 0.349 1.00 0.35 H new ATOM 0 HG3 ARG A 90 3.349 13.786 1.774 1.00 0.35 H new ATOM 0 HD2 ARG A 90 3.767 16.114 2.385 1.00 0.75 H new ATOM 0 HD3 ARG A 90 5.192 15.142 2.696 1.00 0.75 H new ATOM 0 HE ARG A 90 5.732 16.081 0.190 1.00 1.44 H new ATOM 0 HH11 ARG A 90 4.641 17.643 3.166 1.00 2.10 H new ATOM 0 HH12 ARG A 90 5.389 19.192 2.765 1.00 2.10 H new ATOM 0 HH21 ARG A 90 6.703 18.074 -0.309 1.00 2.93 H new ATOM 0 HH22 ARG A 90 6.550 19.435 0.808 1.00 2.93 H new ATOM 1494 N ALA A 91 2.632 11.621 1.316 1.00 0.22 N ATOM 1495 CA ALA A 91 1.931 10.841 2.325 1.00 0.23 C ATOM 1496 C ALA A 91 1.733 9.403 1.861 1.00 0.21 C ATOM 1497 O ALA A 91 1.990 8.452 2.601 1.00 0.24 O ATOM 1498 CB ALA A 91 0.592 11.483 2.639 1.00 0.26 C ATOM 0 H ALA A 91 2.082 12.378 0.910 1.00 0.22 H new ATOM 0 HA ALA A 91 2.538 10.823 3.230 1.00 0.23 H new ATOM 0 HB1 ALA A 91 0.074 10.893 3.395 1.00 0.26 H new ATOM 0 HB2 ALA A 91 0.752 12.494 3.014 1.00 0.26 H new ATOM 0 HB3 ALA A 91 -0.013 11.524 1.733 1.00 0.26 H new ATOM 1504 N VAL A 92 1.293 9.253 0.620 1.00 0.18 N ATOM 1505 CA VAL A 92 1.042 7.942 0.055 1.00 0.19 C ATOM 1506 C VAL A 92 2.348 7.184 -0.148 1.00 0.22 C ATOM 1507 O VAL A 92 2.368 5.958 -0.133 1.00 0.24 O ATOM 1508 CB VAL A 92 0.261 8.025 -1.273 1.00 0.22 C ATOM 1509 CG1 VAL A 92 1.169 8.376 -2.442 1.00 0.25 C ATOM 1510 CG2 VAL A 92 -0.479 6.725 -1.534 1.00 0.26 C ATOM 0 H VAL A 92 1.103 10.029 -0.014 1.00 0.18 H new ATOM 0 HA VAL A 92 0.423 7.398 0.768 1.00 0.19 H new ATOM 0 HB VAL A 92 -0.468 8.830 -1.179 1.00 0.22 H new ATOM 0 HG11 VAL A 92 0.580 8.425 -3.358 1.00 0.25 H new ATOM 0 HG12 VAL A 92 1.638 9.343 -2.261 1.00 0.25 H new ATOM 0 HG13 VAL A 92 1.940 7.612 -2.546 1.00 0.25 H new ATOM 0 HG21 VAL A 92 -1.025 6.800 -2.474 1.00 0.26 H new ATOM 0 HG22 VAL A 92 0.236 5.905 -1.594 1.00 0.26 H new ATOM 0 HG23 VAL A 92 -1.180 6.536 -0.721 1.00 0.26 H new ATOM 1520 N GLU A 93 3.437 7.912 -0.352 1.00 0.25 N ATOM 1521 CA GLU A 93 4.743 7.296 -0.460 1.00 0.31 C ATOM 1522 C GLU A 93 5.164 6.645 0.853 1.00 0.31 C ATOM 1523 O GLU A 93 5.846 5.623 0.853 1.00 0.33 O ATOM 1524 CB GLU A 93 5.786 8.300 -0.928 1.00 0.39 C ATOM 1525 CG GLU A 93 5.819 8.450 -2.441 1.00 0.71 C ATOM 1526 CD GLU A 93 7.202 8.718 -2.980 1.00 1.14 C ATOM 1527 OE1 GLU A 93 7.673 9.867 -2.888 1.00 1.61 O ATOM 1528 OE2 GLU A 93 7.822 7.772 -3.515 1.00 1.63 O ATOM 0 H GLU A 93 3.438 8.928 -0.445 1.00 0.25 H new ATOM 0 HA GLU A 93 4.672 6.509 -1.211 1.00 0.31 H new ATOM 0 HB2 GLU A 93 5.580 9.270 -0.475 1.00 0.39 H new ATOM 0 HB3 GLU A 93 6.769 7.987 -0.577 1.00 0.39 H new ATOM 0 HG2 GLU A 93 5.427 7.542 -2.899 1.00 0.71 H new ATOM 0 HG3 GLU A 93 5.157 9.265 -2.734 1.00 0.71 H new ATOM 1535 N GLU A 94 4.764 7.228 1.975 1.00 0.31 N ATOM 1536 CA GLU A 94 4.955 6.562 3.261 1.00 0.34 C ATOM 1537 C GLU A 94 4.102 5.294 3.317 1.00 0.29 C ATOM 1538 O GLU A 94 4.513 4.275 3.888 1.00 0.29 O ATOM 1539 CB GLU A 94 4.650 7.498 4.436 1.00 0.42 C ATOM 1540 CG GLU A 94 5.678 8.612 4.585 1.00 0.90 C ATOM 1541 CD GLU A 94 5.557 9.377 5.888 1.00 1.40 C ATOM 1542 OE1 GLU A 94 5.885 8.805 6.950 1.00 1.62 O ATOM 1543 OE2 GLU A 94 5.093 10.541 5.860 1.00 2.09 O ATOM 0 H GLU A 94 4.314 8.142 2.025 1.00 0.31 H new ATOM 0 HA GLU A 94 6.004 6.281 3.352 1.00 0.34 H new ATOM 0 HB2 GLU A 94 3.662 7.937 4.298 1.00 0.42 H new ATOM 0 HB3 GLU A 94 4.614 6.917 5.358 1.00 0.42 H new ATOM 0 HG2 GLU A 94 6.678 8.184 4.516 1.00 0.90 H new ATOM 0 HG3 GLU A 94 5.571 9.308 3.753 1.00 0.90 H new ATOM 1550 N VAL A 95 2.930 5.343 2.691 1.00 0.28 N ATOM 1551 CA VAL A 95 2.135 4.138 2.495 1.00 0.26 C ATOM 1552 C VAL A 95 2.880 3.168 1.585 1.00 0.25 C ATOM 1553 O VAL A 95 2.803 1.971 1.770 1.00 0.26 O ATOM 1554 CB VAL A 95 0.734 4.419 1.901 1.00 0.25 C ATOM 1555 CG1 VAL A 95 0.072 3.117 1.449 1.00 0.48 C ATOM 1556 CG2 VAL A 95 -0.140 5.145 2.914 1.00 0.62 C ATOM 0 H VAL A 95 2.514 6.195 2.315 1.00 0.28 H new ATOM 0 HA VAL A 95 1.984 3.703 3.483 1.00 0.26 H new ATOM 0 HB VAL A 95 0.852 5.062 1.029 1.00 0.25 H new ATOM 0 HG11 VAL A 95 -0.912 3.334 1.034 1.00 0.48 H new ATOM 0 HG12 VAL A 95 0.689 2.640 0.688 1.00 0.48 H new ATOM 0 HG13 VAL A 95 -0.034 2.447 2.302 1.00 0.48 H new ATOM 0 HG21 VAL A 95 -1.121 5.334 2.479 1.00 0.62 H new ATOM 0 HG22 VAL A 95 -0.252 4.529 3.806 1.00 0.62 H new ATOM 0 HG23 VAL A 95 0.326 6.093 3.184 1.00 0.62 H new ATOM 1566 N LYS A 96 3.595 3.694 0.600 1.00 0.26 N ATOM 1567 CA LYS A 96 4.443 2.865 -0.265 1.00 0.30 C ATOM 1568 C LYS A 96 5.472 2.073 0.549 1.00 0.33 C ATOM 1569 O LYS A 96 5.902 1.002 0.137 1.00 0.39 O ATOM 1570 CB LYS A 96 5.143 3.709 -1.329 1.00 0.36 C ATOM 1571 CG LYS A 96 4.205 4.231 -2.409 1.00 0.88 C ATOM 1572 CD LYS A 96 4.903 5.213 -3.337 1.00 1.20 C ATOM 1573 CE LYS A 96 6.105 4.587 -4.027 1.00 1.69 C ATOM 1574 NZ LYS A 96 6.868 5.583 -4.828 1.00 2.00 N ATOM 0 H LYS A 96 3.609 4.689 0.375 1.00 0.26 H new ATOM 0 HA LYS A 96 3.789 2.153 -0.768 1.00 0.30 H new ATOM 0 HB2 LYS A 96 5.633 4.554 -0.846 1.00 0.36 H new ATOM 0 HB3 LYS A 96 5.926 3.112 -1.797 1.00 0.36 H new ATOM 0 HG2 LYS A 96 3.818 3.394 -2.990 1.00 0.88 H new ATOM 0 HG3 LYS A 96 3.349 4.718 -1.942 1.00 0.88 H new ATOM 0 HD2 LYS A 96 4.197 5.567 -4.088 1.00 1.20 H new ATOM 0 HD3 LYS A 96 5.225 6.084 -2.767 1.00 1.20 H new ATOM 0 HE2 LYS A 96 6.762 4.143 -3.279 1.00 1.69 H new ATOM 0 HE3 LYS A 96 5.770 3.779 -4.677 1.00 1.69 H new ATOM 0 HZ1 LYS A 96 7.659 5.109 -5.309 1.00 2.00 H new ATOM 0 HZ2 LYS A 96 6.240 6.013 -5.536 1.00 2.00 H new ATOM 0 HZ3 LYS A 96 7.239 6.323 -4.199 1.00 2.00 H new ATOM 1588 N LYS A 97 5.894 2.610 1.686 1.00 0.33 N ATOM 1589 CA LYS A 97 6.742 1.848 2.600 1.00 0.39 C ATOM 1590 C LYS A 97 5.896 0.839 3.369 1.00 0.35 C ATOM 1591 O LYS A 97 6.396 -0.175 3.852 1.00 0.45 O ATOM 1592 CB LYS A 97 7.482 2.761 3.584 1.00 0.49 C ATOM 1593 CG LYS A 97 8.728 3.428 3.019 1.00 1.09 C ATOM 1594 CD LYS A 97 8.391 4.502 2.001 1.00 1.89 C ATOM 1595 CE LYS A 97 9.643 5.198 1.495 1.00 2.76 C ATOM 1596 NZ LYS A 97 9.320 6.329 0.586 1.00 3.43 N ATOM 0 H LYS A 97 5.669 3.555 1.997 1.00 0.33 H new ATOM 0 HA LYS A 97 7.490 1.326 2.003 1.00 0.39 H new ATOM 0 HB2 LYS A 97 6.796 3.535 3.927 1.00 0.49 H new ATOM 0 HB3 LYS A 97 7.765 2.176 4.459 1.00 0.49 H new ATOM 0 HG2 LYS A 97 9.303 3.869 3.833 1.00 1.09 H new ATOM 0 HG3 LYS A 97 9.362 2.674 2.553 1.00 1.09 H new ATOM 0 HD2 LYS A 97 7.857 4.056 1.162 1.00 1.89 H new ATOM 0 HD3 LYS A 97 7.722 5.235 2.451 1.00 1.89 H new ATOM 0 HE2 LYS A 97 10.221 5.567 2.342 1.00 2.76 H new ATOM 0 HE3 LYS A 97 10.271 4.478 0.970 1.00 2.76 H new ATOM 0 HZ1 LYS A 97 10.201 6.777 0.263 1.00 3.43 H new ATOM 0 HZ2 LYS A 97 8.791 5.974 -0.236 1.00 3.43 H new ATOM 0 HZ3 LYS A 97 8.742 7.028 1.094 1.00 3.43 H new ATOM 1610 N LEU A 98 4.610 1.137 3.482 1.00 0.30 N ATOM 1611 CA LEU A 98 3.677 0.264 4.181 1.00 0.33 C ATOM 1612 C LEU A 98 3.122 -0.852 3.290 1.00 0.27 C ATOM 1613 O LEU A 98 2.986 -1.977 3.755 1.00 0.35 O ATOM 1614 CB LEU A 98 2.522 1.076 4.772 1.00 0.45 C ATOM 1615 CG LEU A 98 2.897 1.995 5.937 1.00 0.83 C ATOM 1616 CD1 LEU A 98 1.690 2.801 6.395 1.00 1.70 C ATOM 1617 CD2 LEU A 98 3.463 1.186 7.095 1.00 1.29 C ATOM 0 H LEU A 98 4.187 1.981 3.097 1.00 0.30 H new ATOM 0 HA LEU A 98 4.242 -0.212 4.982 1.00 0.33 H new ATOM 0 HB2 LEU A 98 2.083 1.682 3.980 1.00 0.45 H new ATOM 0 HB3 LEU A 98 1.750 0.385 5.110 1.00 0.45 H new ATOM 0 HG LEU A 98 3.664 2.688 5.591 1.00 0.83 H new ATOM 0 HD11 LEU A 98 1.978 3.448 7.224 1.00 1.70 H new ATOM 0 HD12 LEU A 98 1.325 3.411 5.569 1.00 1.70 H new ATOM 0 HD13 LEU A 98 0.902 2.122 6.721 1.00 1.70 H new ATOM 0 HD21 LEU A 98 3.724 1.856 7.914 1.00 1.29 H new ATOM 0 HD22 LEU A 98 2.717 0.469 7.437 1.00 1.29 H new ATOM 0 HD23 LEU A 98 4.354 0.653 6.765 1.00 1.29 H new ATOM 1629 N LEU A 99 2.811 -0.577 2.013 1.00 0.21 N ATOM 1630 CA LEU A 99 2.227 -1.626 1.172 1.00 0.22 C ATOM 1631 C LEU A 99 3.281 -2.659 0.750 1.00 0.25 C ATOM 1632 O LEU A 99 3.055 -3.467 -0.149 1.00 0.43 O ATOM 1633 CB LEU A 99 1.425 -1.111 -0.056 1.00 0.36 C ATOM 1634 CG LEU A 99 2.088 -0.203 -1.104 1.00 0.38 C ATOM 1635 CD1 LEU A 99 1.670 1.230 -0.894 1.00 1.29 C ATOM 1636 CD2 LEU A 99 3.599 -0.332 -1.147 1.00 1.30 C ATOM 0 H LEU A 99 2.948 0.325 1.557 1.00 0.21 H new ATOM 0 HA LEU A 99 1.488 -2.111 1.810 1.00 0.22 H new ATOM 0 HB2 LEU A 99 1.049 -1.988 -0.584 1.00 0.36 H new ATOM 0 HB3 LEU A 99 0.558 -0.575 0.330 1.00 0.36 H new ATOM 0 HG LEU A 99 1.735 -0.541 -2.078 1.00 0.38 H new ATOM 0 HD11 LEU A 99 2.147 1.862 -1.643 1.00 1.29 H new ATOM 0 HD12 LEU A 99 0.587 1.311 -0.988 1.00 1.29 H new ATOM 0 HD13 LEU A 99 1.973 1.555 0.101 1.00 1.29 H new ATOM 0 HD21 LEU A 99 4.000 0.337 -1.909 1.00 1.30 H new ATOM 0 HD22 LEU A 99 4.015 -0.066 -0.175 1.00 1.30 H new ATOM 0 HD23 LEU A 99 3.870 -1.360 -1.388 1.00 1.30 H new ATOM 1648 N VAL A 100 4.438 -2.602 1.391 1.00 0.32 N ATOM 1649 CA VAL A 100 5.469 -3.607 1.213 1.00 0.36 C ATOM 1650 C VAL A 100 5.125 -4.846 2.043 1.00 0.37 C ATOM 1651 O VAL A 100 4.738 -4.728 3.205 1.00 0.45 O ATOM 1652 CB VAL A 100 6.855 -3.061 1.635 1.00 0.48 C ATOM 1653 CG1 VAL A 100 7.937 -4.123 1.503 1.00 1.35 C ATOM 1654 CG2 VAL A 100 7.215 -1.834 0.814 1.00 1.29 C ATOM 0 H VAL A 100 4.686 -1.860 2.046 1.00 0.32 H new ATOM 0 HA VAL A 100 5.514 -3.873 0.157 1.00 0.36 H new ATOM 0 HB VAL A 100 6.793 -2.777 2.686 1.00 0.48 H new ATOM 0 HG11 VAL A 100 8.896 -3.705 1.808 1.00 1.35 H new ATOM 0 HG12 VAL A 100 7.693 -4.973 2.141 1.00 1.35 H new ATOM 0 HG13 VAL A 100 7.998 -4.453 0.466 1.00 1.35 H new ATOM 0 HG21 VAL A 100 8.192 -1.463 1.123 1.00 1.29 H new ATOM 0 HG22 VAL A 100 7.246 -2.099 -0.243 1.00 1.29 H new ATOM 0 HG23 VAL A 100 6.466 -1.058 0.972 1.00 1.29 H new ATOM 1664 N PRO A 101 5.264 -6.051 1.455 1.00 0.39 N ATOM 1665 CA PRO A 101 4.927 -7.330 2.119 1.00 0.49 C ATOM 1666 C PRO A 101 5.848 -7.681 3.289 1.00 0.65 C ATOM 1667 O PRO A 101 5.871 -8.826 3.754 1.00 0.88 O ATOM 1668 CB PRO A 101 5.108 -8.355 1.004 1.00 0.64 C ATOM 1669 CG PRO A 101 6.090 -7.725 0.082 1.00 0.60 C ATOM 1670 CD PRO A 101 5.743 -6.269 0.082 1.00 0.45 C ATOM 0 HA PRO A 101 3.929 -7.291 2.556 1.00 0.49 H new ATOM 0 HB2 PRO A 101 5.479 -9.304 1.392 1.00 0.64 H new ATOM 0 HB3 PRO A 101 4.165 -8.564 0.499 1.00 0.64 H new ATOM 0 HG2 PRO A 101 7.112 -7.887 0.424 1.00 0.60 H new ATOM 0 HG3 PRO A 101 6.018 -8.148 -0.920 1.00 0.60 H new ATOM 0 HD2 PRO A 101 6.608 -5.647 -0.149 1.00 0.45 H new ATOM 0 HD3 PRO A 101 4.976 -6.036 -0.656 1.00 0.45 H new ATOM 1678 N ALA A 102 6.604 -6.702 3.749 1.00 0.68 N ATOM 1679 CA ALA A 102 7.503 -6.880 4.878 1.00 0.92 C ATOM 1680 C ALA A 102 6.739 -7.311 6.128 1.00 1.62 C ATOM 1681 O ALA A 102 5.573 -6.955 6.312 1.00 2.54 O ATOM 1682 CB ALA A 102 8.278 -5.599 5.143 1.00 1.15 C ATOM 0 H ALA A 102 6.614 -5.762 3.353 1.00 0.68 H new ATOM 0 HA ALA A 102 8.209 -7.672 4.627 1.00 0.92 H new ATOM 0 HB1 ALA A 102 8.947 -5.747 5.991 1.00 1.15 H new ATOM 0 HB2 ALA A 102 8.863 -5.338 4.261 1.00 1.15 H new ATOM 0 HB3 ALA A 102 7.581 -4.792 5.368 1.00 1.15 H new ATOM 1688 N ALA A 103 7.403 -8.077 6.984 1.00 1.90 N ATOM 1689 CA ALA A 103 6.775 -8.624 8.180 1.00 2.74 C ATOM 1690 C ALA A 103 6.437 -7.529 9.179 1.00 3.51 C ATOM 1691 O ALA A 103 5.517 -7.667 9.987 1.00 4.17 O ATOM 1692 CB ALA A 103 7.681 -9.663 8.824 1.00 3.15 C ATOM 0 H ALA A 103 8.383 -8.335 6.871 1.00 1.90 H new ATOM 0 HA ALA A 103 5.843 -9.102 7.879 1.00 2.74 H new ATOM 0 HB1 ALA A 103 7.199 -10.063 9.716 1.00 3.15 H new ATOM 0 HB2 ALA A 103 7.866 -10.472 8.118 1.00 3.15 H new ATOM 0 HB3 ALA A 103 8.628 -9.199 9.100 1.00 3.15 H new ATOM 1698 N GLU A 104 7.176 -6.443 9.106 1.00 3.92 N ATOM 1699 CA GLU A 104 7.005 -5.326 10.017 1.00 5.00 C ATOM 1700 C GLU A 104 7.043 -4.013 9.247 1.00 5.52 C ATOM 1701 O GLU A 104 7.403 -3.987 8.071 1.00 5.64 O ATOM 1702 CB GLU A 104 8.097 -5.338 11.101 1.00 5.60 C ATOM 1703 CG GLU A 104 9.517 -5.122 10.578 1.00 6.47 C ATOM 1704 CD GLU A 104 10.010 -6.250 9.692 1.00 7.07 C ATOM 1705 OE1 GLU A 104 10.559 -7.234 10.221 1.00 7.55 O ATOM 1706 OE2 GLU A 104 9.846 -6.156 8.458 1.00 7.30 O ATOM 0 H GLU A 104 7.913 -6.307 8.414 1.00 3.92 H new ATOM 0 HA GLU A 104 6.035 -5.423 10.505 1.00 5.00 H new ATOM 0 HB2 GLU A 104 7.872 -4.562 11.833 1.00 5.60 H new ATOM 0 HB3 GLU A 104 8.059 -6.293 11.626 1.00 5.60 H new ATOM 0 HG2 GLU A 104 9.552 -4.188 10.017 1.00 6.47 H new ATOM 0 HG3 GLU A 104 10.195 -5.011 11.424 1.00 6.47 H new ATOM 1713 N GLY A 105 6.673 -2.928 9.907 1.00 6.19 N ATOM 1714 CA GLY A 105 6.696 -1.629 9.267 1.00 7.00 C ATOM 1715 C GLY A 105 7.884 -0.807 9.705 1.00 7.89 C ATOM 1716 O GLY A 105 7.762 0.392 9.961 1.00 8.70 O ATOM 0 H GLY A 105 6.356 -2.923 10.877 1.00 6.19 H new ATOM 0 HA2 GLY A 105 6.723 -1.758 8.185 1.00 7.00 H new ATOM 0 HA3 GLY A 105 5.777 -1.092 9.502 1.00 7.00 H new ATOM 1720 N GLU A 106 9.035 -1.452 9.803 1.00 7.96 N ATOM 1721 CA GLU A 106 10.241 -0.791 10.256 1.00 8.97 C ATOM 1722 C GLU A 106 11.478 -1.497 9.701 1.00 9.33 C ATOM 1723 O GLU A 106 11.357 -2.361 8.827 1.00 9.43 O ATOM 1724 CB GLU A 106 10.257 -0.750 11.782 1.00 9.46 C ATOM 1725 CG GLU A 106 10.252 -2.118 12.435 1.00 9.55 C ATOM 1726 CD GLU A 106 10.149 -2.025 13.939 1.00 10.47 C ATOM 1727 OE1 GLU A 106 9.074 -1.648 14.445 1.00 10.82 O ATOM 1728 OE2 GLU A 106 11.142 -2.344 14.624 1.00 10.99 O ATOM 0 H GLU A 106 9.156 -2.438 9.573 1.00 7.96 H new ATOM 0 HA GLU A 106 10.256 0.233 9.884 1.00 8.97 H new ATOM 0 HB2 GLU A 106 11.141 -0.205 12.111 1.00 9.46 H new ATOM 0 HB3 GLU A 106 9.389 -0.190 12.129 1.00 9.46 H new ATOM 0 HG2 GLU A 106 9.416 -2.701 12.049 1.00 9.55 H new ATOM 0 HG3 GLU A 106 11.164 -2.652 12.166 1.00 9.55 H new ATOM 1735 N ASP A 107 12.654 -1.118 10.210 1.00 9.76 N ATOM 1736 CA ASP A 107 13.957 -1.575 9.698 1.00 10.43 C ATOM 1737 C ASP A 107 14.238 -0.989 8.328 1.00 10.48 C ATOM 1738 O ASP A 107 15.259 -0.330 8.124 1.00 11.15 O ATOM 1739 CB ASP A 107 14.078 -3.103 9.652 1.00 10.67 C ATOM 1740 CG ASP A 107 15.359 -3.553 8.967 1.00 11.41 C ATOM 1741 OD1 ASP A 107 16.452 -3.366 9.545 1.00 11.98 O ATOM 1742 OD2 ASP A 107 15.281 -4.092 7.844 1.00 11.57 O ATOM 0 H ASP A 107 12.733 -0.477 10.999 1.00 9.76 H new ATOM 0 HA ASP A 107 14.705 -1.214 10.404 1.00 10.43 H new ATOM 0 HB2 ASP A 107 14.051 -3.499 10.667 1.00 10.67 H new ATOM 0 HB3 ASP A 107 13.220 -3.519 9.125 1.00 10.67 H new ATOM 1747 N SER A 108 13.319 -1.208 7.409 1.00 9.96 N ATOM 1748 CA SER A 108 13.424 -0.683 6.063 1.00 10.24 C ATOM 1749 C SER A 108 13.516 0.838 6.093 1.00 10.41 C ATOM 1750 O SER A 108 14.177 1.443 5.263 1.00 11.07 O ATOM 1751 CB SER A 108 12.217 -1.145 5.250 1.00 9.88 C ATOM 1752 OG SER A 108 12.397 -0.901 3.869 1.00 10.00 O ATOM 0 H SER A 108 12.476 -1.757 7.576 1.00 9.96 H new ATOM 0 HA SER A 108 14.332 -1.060 5.592 1.00 10.24 H new ATOM 0 HB2 SER A 108 12.053 -2.210 5.414 1.00 9.88 H new ATOM 0 HB3 SER A 108 11.323 -0.628 5.598 1.00 9.88 H new ATOM 0 HG SER A 108 12.385 0.065 3.703 1.00 10.00 H new ATOM 1758 N LEU A 109 12.885 1.442 7.089 1.00 10.02 N ATOM 1759 CA LEU A 109 12.925 2.888 7.263 1.00 10.41 C ATOM 1760 C LEU A 109 14.363 3.367 7.455 1.00 11.26 C ATOM 1761 O LEU A 109 14.759 4.410 6.944 1.00 11.94 O ATOM 1762 CB LEU A 109 12.072 3.293 8.469 1.00 10.12 C ATOM 1763 CG LEU A 109 10.600 2.880 8.395 1.00 9.48 C ATOM 1764 CD1 LEU A 109 9.882 3.236 9.686 1.00 9.47 C ATOM 1765 CD2 LEU A 109 9.920 3.547 7.209 1.00 9.65 C ATOM 0 H LEU A 109 12.336 0.950 7.794 1.00 10.02 H new ATOM 0 HA LEU A 109 12.521 3.357 6.366 1.00 10.41 H new ATOM 0 HB2 LEU A 109 12.510 2.857 9.367 1.00 10.12 H new ATOM 0 HB3 LEU A 109 12.124 4.376 8.583 1.00 10.12 H new ATOM 0 HG LEU A 109 10.552 1.800 8.259 1.00 9.48 H new ATOM 0 HD11 LEU A 109 8.837 2.935 9.616 1.00 9.47 H new ATOM 0 HD12 LEU A 109 10.354 2.716 10.520 1.00 9.47 H new ATOM 0 HD13 LEU A 109 9.940 4.312 9.850 1.00 9.47 H new ATOM 0 HD21 LEU A 109 8.874 3.243 7.171 1.00 9.65 H new ATOM 0 HD22 LEU A 109 9.979 4.630 7.317 1.00 9.65 H new ATOM 0 HD23 LEU A 109 10.419 3.247 6.288 1.00 9.65 H new ATOM 1777 N LYS A 110 15.144 2.579 8.183 1.00 11.40 N ATOM 1778 CA LYS A 110 16.531 2.920 8.456 1.00 12.34 C ATOM 1779 C LYS A 110 17.429 2.446 7.317 1.00 12.93 C ATOM 1780 O LYS A 110 18.336 3.160 6.883 1.00 13.70 O ATOM 1781 CB LYS A 110 16.967 2.290 9.782 1.00 12.53 C ATOM 1782 CG LYS A 110 18.340 2.730 10.258 1.00 12.99 C ATOM 1783 CD LYS A 110 18.689 2.087 11.591 1.00 13.18 C ATOM 1784 CE LYS A 110 20.018 2.592 12.130 1.00 13.26 C ATOM 1785 NZ LYS A 110 19.975 4.043 12.442 1.00 13.83 N ATOM 0 H LYS A 110 14.838 1.698 8.595 1.00 11.40 H new ATOM 0 HA LYS A 110 16.622 4.003 8.533 1.00 12.34 H new ATOM 0 HB2 LYS A 110 16.232 2.538 10.548 1.00 12.53 H new ATOM 0 HB3 LYS A 110 16.962 1.205 9.675 1.00 12.53 H new ATOM 0 HG2 LYS A 110 19.090 2.461 9.514 1.00 12.99 H new ATOM 0 HG3 LYS A 110 18.364 3.815 10.357 1.00 12.99 H new ATOM 0 HD2 LYS A 110 17.900 2.297 12.313 1.00 13.18 H new ATOM 0 HD3 LYS A 110 18.733 1.004 11.472 1.00 13.18 H new ATOM 0 HE2 LYS A 110 20.280 2.035 13.030 1.00 13.26 H new ATOM 0 HE3 LYS A 110 20.802 2.401 11.398 1.00 13.26 H new ATOM 0 HZ1 LYS A 110 20.793 4.295 13.033 1.00 13.83 H new ATOM 0 HZ2 LYS A 110 20.005 4.589 11.558 1.00 13.83 H new ATOM 0 HZ3 LYS A 110 19.097 4.262 12.954 1.00 13.83 H new ATOM 1799 N LYS A 111 17.154 1.245 6.818 1.00 12.70 N ATOM 1800 CA LYS A 111 17.958 0.647 5.754 1.00 13.45 C ATOM 1801 C LYS A 111 17.812 1.420 4.448 1.00 13.69 C ATOM 1802 O LYS A 111 18.778 1.576 3.698 1.00 14.58 O ATOM 1803 CB LYS A 111 17.564 -0.816 5.534 1.00 13.35 C ATOM 1804 CG LYS A 111 17.845 -1.715 6.728 1.00 13.65 C ATOM 1805 CD LYS A 111 19.331 -1.785 7.042 1.00 14.12 C ATOM 1806 CE LYS A 111 19.620 -2.756 8.177 1.00 14.42 C ATOM 1807 NZ LYS A 111 18.928 -2.370 9.434 1.00 14.52 N ATOM 0 H LYS A 111 16.378 0.664 7.134 1.00 12.70 H new ATOM 0 HA LYS A 111 19.001 0.692 6.068 1.00 13.45 H new ATOM 0 HB2 LYS A 111 16.501 -0.864 5.297 1.00 13.35 H new ATOM 0 HB3 LYS A 111 18.102 -1.201 4.667 1.00 13.35 H new ATOM 0 HG2 LYS A 111 17.306 -1.342 7.599 1.00 13.65 H new ATOM 0 HG3 LYS A 111 17.468 -2.718 6.525 1.00 13.65 H new ATOM 0 HD2 LYS A 111 19.877 -2.094 6.151 1.00 14.12 H new ATOM 0 HD3 LYS A 111 19.694 -0.793 7.310 1.00 14.12 H new ATOM 0 HE2 LYS A 111 19.307 -3.758 7.884 1.00 14.42 H new ATOM 0 HE3 LYS A 111 20.695 -2.797 8.353 1.00 14.42 H new ATOM 0 HZ1 LYS A 111 19.556 -2.547 10.244 1.00 14.52 H new ATOM 0 HZ2 LYS A 111 18.683 -1.360 9.399 1.00 14.52 H new ATOM 0 HZ3 LYS A 111 18.060 -2.933 9.539 1.00 14.52 H new ATOM 1821 N MET A 112 16.610 1.914 4.187 1.00 13.03 N ATOM 1822 CA MET A 112 16.347 2.649 2.959 1.00 13.43 C ATOM 1823 C MET A 112 16.925 4.048 3.022 1.00 13.93 C ATOM 1824 O MET A 112 17.257 4.627 1.994 1.00 14.71 O ATOM 1825 CB MET A 112 14.851 2.710 2.643 1.00 12.78 C ATOM 1826 CG MET A 112 14.288 1.390 2.141 1.00 12.65 C ATOM 1827 SD MET A 112 12.540 1.502 1.700 1.00 12.08 S ATOM 1828 CE MET A 112 12.600 2.706 0.374 1.00 12.60 C ATOM 0 H MET A 112 15.805 1.820 4.806 1.00 13.03 H new ATOM 0 HA MET A 112 16.840 2.105 2.153 1.00 13.43 H new ATOM 0 HB2 MET A 112 14.309 3.010 3.540 1.00 12.78 H new ATOM 0 HB3 MET A 112 14.676 3.481 1.892 1.00 12.78 H new ATOM 0 HG2 MET A 112 14.858 1.064 1.271 1.00 12.65 H new ATOM 0 HG3 MET A 112 14.417 0.629 2.910 1.00 12.65 H new ATOM 0 HE1 MET A 112 11.713 2.603 -0.251 1.00 12.60 H new ATOM 0 HE2 MET A 112 12.632 3.711 0.796 1.00 12.60 H new ATOM 0 HE3 MET A 112 13.492 2.538 -0.230 1.00 12.60 H new ATOM 1838 N LYS A 113 17.044 4.601 4.217 1.00 13.65 N ATOM 1839 CA LYS A 113 17.686 5.897 4.366 1.00 14.28 C ATOM 1840 C LYS A 113 19.191 5.736 4.177 1.00 15.23 C ATOM 1841 O LYS A 113 19.847 6.573 3.570 1.00 16.03 O ATOM 1842 CB LYS A 113 17.372 6.490 5.747 1.00 13.94 C ATOM 1843 CG LYS A 113 17.387 8.021 5.824 1.00 14.60 C ATOM 1844 CD LYS A 113 18.795 8.610 5.905 1.00 15.23 C ATOM 1845 CE LYS A 113 19.275 9.126 4.556 1.00 16.15 C ATOM 1846 NZ LYS A 113 20.554 9.875 4.662 1.00 16.72 N ATOM 0 H LYS A 113 16.711 4.182 5.085 1.00 13.65 H new ATOM 0 HA LYS A 113 17.303 6.583 3.610 1.00 14.28 H new ATOM 0 HB2 LYS A 113 16.390 6.137 6.060 1.00 13.94 H new ATOM 0 HB3 LYS A 113 18.094 6.100 6.464 1.00 13.94 H new ATOM 0 HG2 LYS A 113 16.881 8.427 4.948 1.00 14.60 H new ATOM 0 HG3 LYS A 113 16.817 8.339 6.697 1.00 14.60 H new ATOM 0 HD2 LYS A 113 18.806 9.424 6.630 1.00 15.23 H new ATOM 0 HD3 LYS A 113 19.486 7.850 6.269 1.00 15.23 H new ATOM 0 HE2 LYS A 113 19.404 8.286 3.873 1.00 16.15 H new ATOM 0 HE3 LYS A 113 18.512 9.774 4.125 1.00 16.15 H new ATOM 0 HZ1 LYS A 113 20.841 10.207 3.719 1.00 16.72 H new ATOM 0 HZ2 LYS A 113 20.427 10.692 5.293 1.00 16.72 H new ATOM 0 HZ3 LYS A 113 21.291 9.251 5.049 1.00 16.72 H new ATOM 1860 N LEU A 114 19.730 4.628 4.648 1.00 15.27 N ATOM 1861 CA LEU A 114 21.156 4.425 4.609 1.00 16.25 C ATOM 1862 C LEU A 114 21.627 3.887 3.257 1.00 16.89 C ATOM 1863 O LEU A 114 22.336 4.574 2.518 1.00 17.72 O ATOM 1864 CB LEU A 114 21.555 3.461 5.726 1.00 16.24 C ATOM 1865 CG LEU A 114 23.045 3.159 5.826 1.00 16.63 C ATOM 1866 CD1 LEU A 114 23.819 4.430 6.112 1.00 17.08 C ATOM 1867 CD2 LEU A 114 23.297 2.119 6.903 1.00 16.95 C ATOM 0 H LEU A 114 19.200 3.860 5.060 1.00 15.27 H new ATOM 0 HA LEU A 114 21.639 5.391 4.754 1.00 16.25 H new ATOM 0 HB2 LEU A 114 21.221 3.875 6.677 1.00 16.24 H new ATOM 0 HB3 LEU A 114 21.020 2.522 5.581 1.00 16.24 H new ATOM 0 HG LEU A 114 23.390 2.756 4.874 1.00 16.63 H new ATOM 0 HD11 LEU A 114 24.882 4.201 6.181 1.00 17.08 H new ATOM 0 HD12 LEU A 114 23.654 5.146 5.307 1.00 17.08 H new ATOM 0 HD13 LEU A 114 23.478 4.859 7.054 1.00 17.08 H new ATOM 0 HD21 LEU A 114 24.365 1.911 6.965 1.00 16.95 H new ATOM 0 HD22 LEU A 114 22.944 2.496 7.863 1.00 16.95 H new ATOM 0 HD23 LEU A 114 22.763 1.202 6.655 1.00 16.95 H new ATOM 1879 N MET A 115 21.221 2.669 2.927 1.00 16.60 N ATOM 1880 CA MET A 115 21.732 2.001 1.736 1.00 17.37 C ATOM 1881 C MET A 115 20.815 2.195 0.540 1.00 17.30 C ATOM 1882 O MET A 115 21.271 2.562 -0.540 1.00 18.16 O ATOM 1883 CB MET A 115 21.932 0.510 1.994 1.00 17.40 C ATOM 1884 CG MET A 115 22.443 -0.242 0.774 1.00 18.36 C ATOM 1885 SD MET A 115 22.743 -1.990 1.106 1.00 18.37 S ATOM 1886 CE MET A 115 21.101 -2.539 1.573 1.00 17.17 C ATOM 0 H MET A 115 20.544 2.125 3.462 1.00 16.60 H new ATOM 0 HA MET A 115 22.694 2.458 1.504 1.00 17.37 H new ATOM 0 HB2 MET A 115 22.637 0.381 2.815 1.00 17.40 H new ATOM 0 HB3 MET A 115 20.986 0.072 2.314 1.00 17.40 H new ATOM 0 HG2 MET A 115 21.718 -0.150 -0.034 1.00 18.36 H new ATOM 0 HG3 MET A 115 23.367 0.221 0.428 1.00 18.36 H new ATOM 0 HE1 MET A 115 21.083 -2.768 2.639 1.00 17.17 H new ATOM 0 HE2 MET A 115 20.379 -1.751 1.359 1.00 17.17 H new ATOM 0 HE3 MET A 115 20.841 -3.433 1.006 1.00 17.17 H new ATOM 1896 N GLU A 116 19.522 1.957 0.737 1.00 16.38 N ATOM 1897 CA GLU A 116 18.548 2.040 -0.352 1.00 16.41 C ATOM 1898 C GLU A 116 18.416 3.464 -0.878 1.00 16.77 C ATOM 1899 O GLU A 116 17.793 3.698 -1.912 1.00 17.19 O ATOM 1900 CB GLU A 116 17.193 1.514 0.098 1.00 15.41 C ATOM 1901 CG GLU A 116 17.236 0.063 0.541 1.00 15.12 C ATOM 1902 CD GLU A 116 17.707 -0.863 -0.559 1.00 15.91 C ATOM 1903 OE1 GLU A 116 16.942 -1.084 -1.518 1.00 16.29 O ATOM 1904 OE2 GLU A 116 18.851 -1.353 -0.480 1.00 16.27 O ATOM 0 H GLU A 116 19.122 1.705 1.641 1.00 16.38 H new ATOM 0 HA GLU A 116 18.914 1.416 -1.167 1.00 16.41 H new ATOM 0 HB2 GLU A 116 16.826 2.128 0.920 1.00 15.41 H new ATOM 0 HB3 GLU A 116 16.480 1.617 -0.720 1.00 15.41 H new ATOM 0 HG2 GLU A 116 17.899 -0.032 1.401 1.00 15.12 H new ATOM 0 HG3 GLU A 116 16.243 -0.243 0.869 1.00 15.12 H new ATOM 1911 N LEU A 117 18.984 4.406 -0.139 1.00 16.72 N ATOM 1912 CA LEU A 117 19.023 5.804 -0.550 1.00 17.21 C ATOM 1913 C LEU A 117 19.821 5.914 -1.844 1.00 18.39 C ATOM 1914 O LEU A 117 19.467 6.664 -2.754 1.00 18.98 O ATOM 1915 CB LEU A 117 19.663 6.647 0.565 1.00 17.03 C ATOM 1916 CG LEU A 117 19.293 8.138 0.605 1.00 17.18 C ATOM 1917 CD1 LEU A 117 20.007 8.915 -0.490 1.00 18.26 C ATOM 1918 CD2 LEU A 117 17.785 8.313 0.487 1.00 16.60 C ATOM 0 H LEU A 117 19.430 4.225 0.760 1.00 16.72 H new ATOM 0 HA LEU A 117 18.014 6.178 -0.725 1.00 17.21 H new ATOM 0 HB2 LEU A 117 19.393 6.204 1.524 1.00 17.03 H new ATOM 0 HB3 LEU A 117 20.746 6.568 0.471 1.00 17.03 H new ATOM 0 HG LEU A 117 19.619 8.539 1.565 1.00 17.18 H new ATOM 0 HD11 LEU A 117 19.724 9.966 -0.434 1.00 18.26 H new ATOM 0 HD12 LEU A 117 21.085 8.822 -0.358 1.00 18.26 H new ATOM 0 HD13 LEU A 117 19.725 8.514 -1.464 1.00 18.26 H new ATOM 0 HD21 LEU A 117 17.538 9.374 0.517 1.00 16.60 H new ATOM 0 HD22 LEU A 117 17.442 7.887 -0.456 1.00 16.60 H new ATOM 0 HD23 LEU A 117 17.294 7.803 1.315 1.00 16.60 H new ATOM 1930 N ALA A 118 20.888 5.131 -1.917 1.00 18.81 N ATOM 1931 CA ALA A 118 21.696 5.031 -3.108 1.00 19.94 C ATOM 1932 C ALA A 118 22.191 3.605 -3.274 1.00 20.25 C ATOM 1933 O ALA A 118 23.303 3.268 -2.865 1.00 20.88 O ATOM 1934 CB ALA A 118 22.858 6.014 -3.071 1.00 20.42 C ATOM 0 H ALA A 118 21.213 4.548 -1.145 1.00 18.81 H new ATOM 0 HA ALA A 118 21.081 5.292 -3.969 1.00 19.94 H new ATOM 0 HB1 ALA A 118 23.448 5.914 -3.982 1.00 20.42 H new ATOM 0 HB2 ALA A 118 22.472 7.031 -2.998 1.00 20.42 H new ATOM 0 HB3 ALA A 118 23.487 5.802 -2.206 1.00 20.42 H new ATOM 1940 N ILE A 119 21.343 2.766 -3.848 1.00 19.90 N ATOM 1941 CA ILE A 119 21.652 1.353 -4.011 1.00 20.25 C ATOM 1942 C ILE A 119 22.727 1.191 -5.071 1.00 21.12 C ATOM 1943 O ILE A 119 23.884 0.893 -4.766 1.00 21.13 O ATOM 1944 CB ILE A 119 20.413 0.536 -4.432 1.00 20.40 C ATOM 1945 CG1 ILE A 119 19.168 1.005 -3.675 1.00 20.16 C ATOM 1946 CG2 ILE A 119 20.656 -0.945 -4.172 1.00 20.03 C ATOM 1947 CD1 ILE A 119 17.884 0.373 -4.175 1.00 20.59 C ATOM 0 H ILE A 119 20.430 3.041 -4.211 1.00 19.90 H new ATOM 0 HA ILE A 119 21.997 0.978 -3.047 1.00 20.25 H new ATOM 0 HB ILE A 119 20.243 0.691 -5.498 1.00 20.40 H new ATOM 0 HG12 ILE A 119 19.288 0.776 -2.616 1.00 20.16 H new ATOM 0 HG13 ILE A 119 19.087 2.089 -3.760 1.00 20.16 H new ATOM 0 HG21 ILE A 119 19.777 -1.516 -4.472 1.00 20.03 H new ATOM 0 HG22 ILE A 119 21.519 -1.279 -4.748 1.00 20.03 H new ATOM 0 HG23 ILE A 119 20.846 -1.102 -3.110 1.00 20.03 H new ATOM 0 HD11 ILE A 119 17.042 0.750 -3.594 1.00 20.59 H new ATOM 0 HD12 ILE A 119 17.741 0.623 -5.226 1.00 20.59 H new ATOM 0 HD13 ILE A 119 17.944 -0.710 -4.065 1.00 20.59 H new ATOM 1959 N LEU A 120 22.340 1.402 -6.318 1.00 21.92 N ATOM 1960 CA LEU A 120 23.284 1.401 -7.407 1.00 22.85 C ATOM 1961 C LEU A 120 24.002 2.748 -7.464 1.00 23.12 C ATOM 1962 O LEU A 120 23.381 3.808 -7.522 1.00 23.32 O ATOM 1963 CB LEU A 120 22.585 1.005 -8.732 1.00 23.66 C ATOM 1964 CG LEU A 120 21.638 2.008 -9.435 1.00 23.95 C ATOM 1965 CD1 LEU A 120 20.673 2.682 -8.470 1.00 23.98 C ATOM 1966 CD2 LEU A 120 22.418 3.031 -10.250 1.00 23.52 C ATOM 0 H LEU A 120 21.374 1.576 -6.595 1.00 21.92 H new ATOM 0 HA LEU A 120 24.051 0.645 -7.242 1.00 22.85 H new ATOM 0 HB2 LEU A 120 23.366 0.742 -9.445 1.00 23.66 H new ATOM 0 HB3 LEU A 120 22.012 0.098 -8.538 1.00 23.66 H new ATOM 0 HG LEU A 120 21.027 1.426 -10.125 1.00 23.95 H new ATOM 0 HD11 LEU A 120 20.034 3.374 -9.018 1.00 23.98 H new ATOM 0 HD12 LEU A 120 20.056 1.926 -7.985 1.00 23.98 H new ATOM 0 HD13 LEU A 120 21.237 3.230 -7.715 1.00 23.98 H new ATOM 0 HD21 LEU A 120 21.723 3.720 -10.730 1.00 23.52 H new ATOM 0 HD22 LEU A 120 23.085 3.588 -9.592 1.00 23.52 H new ATOM 0 HD23 LEU A 120 23.005 2.518 -11.012 1.00 23.52 H new ATOM 1978 N ASN A 121 25.315 2.691 -7.360 1.00 23.21 N ATOM 1979 CA ASN A 121 26.150 3.883 -7.360 1.00 23.56 C ATOM 1980 C ASN A 121 27.587 3.466 -7.617 1.00 24.31 C ATOM 1981 O ASN A 121 27.861 2.274 -7.711 1.00 24.76 O ATOM 1982 CB ASN A 121 26.038 4.632 -6.023 1.00 23.18 C ATOM 1983 CG ASN A 121 26.734 3.918 -4.875 1.00 23.09 C ATOM 1984 OD1 ASN A 121 27.910 4.143 -4.617 1.00 23.47 O ATOM 1985 ND2 ASN A 121 26.016 3.048 -4.184 1.00 22.69 N ATOM 0 H ASN A 121 25.836 1.819 -7.273 1.00 23.21 H new ATOM 0 HA ASN A 121 25.814 4.561 -8.144 1.00 23.56 H new ATOM 0 HB2 ASN A 121 26.466 5.628 -6.135 1.00 23.18 H new ATOM 0 HB3 ASN A 121 24.985 4.764 -5.775 1.00 23.18 H new ATOM 0 HD21 ASN A 121 26.440 2.539 -3.408 1.00 22.69 H new ATOM 0 HD22 ASN A 121 25.039 2.886 -4.427 1.00 22.69 H new ATOM 1992 N GLY A 122 28.493 4.434 -7.698 1.00 24.55 N ATOM 1993 CA GLY A 122 29.891 4.152 -8.010 1.00 25.33 C ATOM 1994 C GLY A 122 30.507 3.047 -7.157 1.00 25.47 C ATOM 1995 O GLY A 122 31.318 2.260 -7.648 1.00 26.12 O ATOM 0 H GLY A 122 28.285 5.422 -7.552 1.00 24.55 H new ATOM 0 HA2 GLY A 122 29.969 3.872 -9.061 1.00 25.33 H new ATOM 0 HA3 GLY A 122 30.473 5.064 -7.880 1.00 25.33 H new ATOM 1999 N THR A 123 30.111 2.978 -5.892 1.00 24.93 N ATOM 2000 CA THR A 123 30.649 1.983 -4.969 1.00 25.12 C ATOM 2001 C THR A 123 30.293 0.557 -5.402 1.00 25.36 C ATOM 2002 O THR A 123 31.037 -0.387 -5.134 1.00 25.90 O ATOM 2003 CB THR A 123 30.128 2.231 -3.538 1.00 24.51 C ATOM 2004 OG1 THR A 123 30.392 3.590 -3.152 1.00 24.32 O ATOM 2005 CG2 THR A 123 30.783 1.287 -2.541 1.00 24.86 C ATOM 0 H THR A 123 29.417 3.601 -5.480 1.00 24.93 H new ATOM 0 HA THR A 123 31.734 2.085 -4.984 1.00 25.12 H new ATOM 0 HB THR A 123 29.054 2.046 -3.534 1.00 24.51 H new ATOM 0 HG1 THR A 123 29.686 4.173 -3.502 1.00 24.32 H new ATOM 0 HG21 THR A 123 30.395 1.487 -1.542 1.00 24.86 H new ATOM 0 HG22 THR A 123 30.562 0.256 -2.817 1.00 24.86 H new ATOM 0 HG23 THR A 123 31.862 1.441 -2.549 1.00 24.86 H new ATOM 2013 N TYR A 124 29.169 0.405 -6.090 1.00 25.05 N ATOM 2014 CA TYR A 124 28.690 -0.916 -6.486 1.00 25.37 C ATOM 2015 C TYR A 124 28.704 -1.082 -8.000 1.00 25.65 C ATOM 2016 O TYR A 124 29.266 -2.048 -8.510 1.00 25.59 O ATOM 2017 CB TYR A 124 27.277 -1.155 -5.955 1.00 25.19 C ATOM 2018 CG TYR A 124 27.198 -1.217 -4.449 1.00 25.19 C ATOM 2019 CD1 TYR A 124 27.458 -2.400 -3.770 1.00 25.09 C ATOM 2020 CD2 TYR A 124 26.856 -0.095 -3.706 1.00 25.38 C ATOM 2021 CE1 TYR A 124 27.379 -2.464 -2.394 1.00 25.20 C ATOM 2022 CE2 TYR A 124 26.776 -0.150 -2.328 1.00 25.49 C ATOM 2023 CZ TYR A 124 27.069 -1.329 -1.676 1.00 25.41 C ATOM 2024 OH TYR A 124 26.951 -1.398 -0.305 1.00 25.62 O ATOM 0 H TYR A 124 28.572 1.177 -6.386 1.00 25.05 H new ATOM 0 HA TYR A 124 29.367 -1.653 -6.054 1.00 25.37 H new ATOM 0 HB2 TYR A 124 26.625 -0.358 -6.312 1.00 25.19 H new ATOM 0 HB3 TYR A 124 26.896 -2.089 -6.369 1.00 25.19 H new ATOM 0 HD1 TYR A 124 27.727 -3.285 -4.328 1.00 25.09 H new ATOM 0 HD2 TYR A 124 26.649 0.836 -4.214 1.00 25.38 H new ATOM 0 HE1 TYR A 124 27.559 -3.398 -1.882 1.00 25.20 H new ATOM 0 HE2 TYR A 124 26.486 0.725 -1.765 1.00 25.49 H new ATOM 0 HH TYR A 124 26.730 -0.511 0.049 1.00 25.62 H new ATOM 2034 N ARG A 125 28.078 -0.132 -8.695 1.00 26.04 N ATOM 2035 CA ARG A 125 27.980 -0.123 -10.158 1.00 26.48 C ATOM 2036 C ARG A 125 27.115 -1.280 -10.667 1.00 26.87 C ATOM 2037 O ARG A 125 26.023 -1.064 -11.181 1.00 27.16 O ATOM 2038 CB ARG A 125 29.380 -0.153 -10.796 1.00 27.04 C ATOM 2039 CG ARG A 125 29.421 0.303 -12.252 1.00 27.29 C ATOM 2040 CD ARG A 125 28.881 -0.751 -13.206 1.00 27.33 C ATOM 2041 NE ARG A 125 28.966 -0.323 -14.598 1.00 27.77 N ATOM 2042 CZ ARG A 125 29.406 -1.097 -15.589 1.00 27.96 C ATOM 2043 NH1 ARG A 125 29.780 -2.348 -15.341 1.00 27.74 N ATOM 2044 NH2 ARG A 125 29.455 -0.623 -16.827 1.00 28.45 N ATOM 0 H ARG A 125 27.618 0.664 -8.253 1.00 26.04 H new ATOM 0 HA ARG A 125 27.491 0.804 -10.456 1.00 26.48 H new ATOM 0 HB2 ARG A 125 30.046 0.481 -10.211 1.00 27.04 H new ATOM 0 HB3 ARG A 125 29.772 -1.168 -10.735 1.00 27.04 H new ATOM 0 HG2 ARG A 125 28.839 1.218 -12.360 1.00 27.29 H new ATOM 0 HG3 ARG A 125 30.448 0.544 -12.525 1.00 27.29 H new ATOM 0 HD2 ARG A 125 29.440 -1.678 -13.077 1.00 27.33 H new ATOM 0 HD3 ARG A 125 27.842 -0.968 -12.956 1.00 27.33 H new ATOM 0 HE ARG A 125 28.671 0.626 -14.826 1.00 27.77 H new ATOM 0 HH11 ARG A 125 29.730 -2.716 -14.391 1.00 27.74 H new ATOM 0 HH12 ARG A 125 30.117 -2.940 -16.101 1.00 27.74 H new ATOM 0 HH21 ARG A 125 29.156 0.333 -17.019 1.00 28.45 H new ATOM 0 HH22 ARG A 125 29.792 -1.215 -17.587 1.00 28.45 H new ATOM 2058 N ASP A 126 27.593 -2.504 -10.491 1.00 26.97 N ATOM 2059 CA ASP A 126 26.924 -3.687 -11.037 1.00 27.44 C ATOM 2060 C ASP A 126 25.620 -3.985 -10.300 1.00 27.02 C ATOM 2061 O ASP A 126 24.764 -4.717 -10.798 1.00 27.36 O ATOM 2062 CB ASP A 126 27.861 -4.896 -10.966 1.00 27.72 C ATOM 2063 CG ASP A 126 27.277 -6.137 -11.609 1.00 27.85 C ATOM 2064 OD1 ASP A 126 27.314 -6.241 -12.856 1.00 28.27 O ATOM 2065 OD2 ASP A 126 26.753 -7.002 -10.874 1.00 27.59 O ATOM 0 H ASP A 126 28.447 -2.709 -9.972 1.00 26.97 H new ATOM 0 HA ASP A 126 26.676 -3.483 -12.079 1.00 27.44 H new ATOM 0 HB2 ASP A 126 28.802 -4.648 -11.457 1.00 27.72 H new ATOM 0 HB3 ASP A 126 28.092 -5.109 -9.922 1.00 27.72 H new ATOM 2070 N ALA A 127 25.457 -3.391 -9.122 1.00 26.35 N ATOM 2071 CA ALA A 127 24.219 -3.525 -8.361 1.00 25.95 C ATOM 2072 C ALA A 127 23.050 -2.911 -9.127 1.00 25.77 C ATOM 2073 O ALA A 127 21.887 -3.146 -8.804 1.00 25.47 O ATOM 2074 CB ALA A 127 24.356 -2.869 -6.997 1.00 25.25 C ATOM 0 H ALA A 127 26.167 -2.812 -8.673 1.00 26.35 H new ATOM 0 HA ALA A 127 24.021 -4.587 -8.217 1.00 25.95 H new ATOM 0 HB1 ALA A 127 23.423 -2.979 -6.445 1.00 25.25 H new ATOM 0 HB2 ALA A 127 25.164 -3.347 -6.443 1.00 25.25 H new ATOM 0 HB3 ALA A 127 24.579 -1.810 -7.124 1.00 25.25 H new ATOM 2080 N ASN A 128 23.378 -2.130 -10.150 1.00 26.04 N ATOM 2081 CA ASN A 128 22.386 -1.500 -11.011 1.00 26.08 C ATOM 2082 C ASN A 128 21.604 -2.553 -11.795 1.00 26.74 C ATOM 2083 O ASN A 128 20.444 -2.347 -12.151 1.00 26.73 O ATOM 2084 CB ASN A 128 23.085 -0.534 -11.973 1.00 26.34 C ATOM 2085 CG ASN A 128 22.123 0.193 -12.900 1.00 26.63 C ATOM 2086 OD1 ASN A 128 20.958 0.415 -12.564 1.00 26.61 O ATOM 2087 ND2 ASN A 128 22.612 0.593 -14.064 1.00 27.01 N ATOM 0 H ASN A 128 24.342 -1.916 -10.406 1.00 26.04 H new ATOM 0 HA ASN A 128 21.681 -0.946 -10.391 1.00 26.08 H new ATOM 0 HB2 ASN A 128 23.647 0.200 -11.395 1.00 26.34 H new ATOM 0 HB3 ASN A 128 23.807 -1.088 -12.572 1.00 26.34 H new ATOM 0 HD21 ASN A 128 22.019 1.104 -14.718 1.00 27.01 H new ATOM 0 HD22 ASN A 128 23.582 0.390 -14.307 1.00 27.01 H new ATOM 2094 N LEU A 129 22.236 -3.692 -12.043 1.00 27.38 N ATOM 2095 CA LEU A 129 21.607 -4.754 -12.814 1.00 28.13 C ATOM 2096 C LEU A 129 20.688 -5.598 -11.936 1.00 28.06 C ATOM 2097 O LEU A 129 19.875 -6.376 -12.439 1.00 28.19 O ATOM 2098 CB LEU A 129 22.671 -5.635 -13.470 1.00 28.95 C ATOM 2099 CG LEU A 129 23.601 -4.910 -14.440 1.00 29.65 C ATOM 2100 CD1 LEU A 129 24.614 -5.876 -15.031 1.00 30.01 C ATOM 2101 CD2 LEU A 129 22.801 -4.232 -15.545 1.00 30.08 C ATOM 0 H LEU A 129 23.181 -3.903 -11.722 1.00 27.38 H new ATOM 0 HA LEU A 129 21.001 -4.293 -13.594 1.00 28.13 H new ATOM 0 HB2 LEU A 129 23.274 -6.094 -12.687 1.00 28.95 H new ATOM 0 HB3 LEU A 129 22.173 -6.444 -14.004 1.00 28.95 H new ATOM 0 HG LEU A 129 24.141 -4.141 -13.887 1.00 29.65 H new ATOM 0 HD11 LEU A 129 25.268 -5.341 -15.720 1.00 30.01 H new ATOM 0 HD12 LEU A 129 25.210 -6.313 -14.230 1.00 30.01 H new ATOM 0 HD13 LEU A 129 24.091 -6.668 -15.568 1.00 30.01 H new ATOM 0 HD21 LEU A 129 23.482 -3.721 -16.226 1.00 30.08 H new ATOM 0 HD22 LEU A 129 22.233 -4.982 -16.095 1.00 30.08 H new ATOM 0 HD23 LEU A 129 22.115 -3.507 -15.106 1.00 30.08 H new ATOM 2113 N LYS A 130 20.811 -5.435 -10.625 1.00 27.93 N ATOM 2114 CA LYS A 130 19.999 -6.189 -9.687 1.00 27.96 C ATOM 2115 C LYS A 130 19.951 -5.492 -8.329 1.00 28.18 C ATOM 2116 O LYS A 130 20.767 -5.768 -7.445 1.00 28.19 O ATOM 2117 CB LYS A 130 20.544 -7.610 -9.530 1.00 27.75 C ATOM 2118 CG LYS A 130 19.707 -8.489 -8.616 1.00 27.52 C ATOM 2119 CD LYS A 130 20.406 -9.805 -8.324 1.00 27.65 C ATOM 2120 CE LYS A 130 21.755 -9.582 -7.653 1.00 28.04 C ATOM 2121 NZ LYS A 130 21.625 -8.796 -6.398 1.00 28.17 N ATOM 0 H LYS A 130 21.467 -4.786 -10.190 1.00 27.93 H new ATOM 0 HA LYS A 130 18.985 -6.243 -10.084 1.00 27.96 H new ATOM 0 HB2 LYS A 130 20.604 -8.077 -10.513 1.00 27.75 H new ATOM 0 HB3 LYS A 130 21.560 -7.559 -9.139 1.00 27.75 H new ATOM 0 HG2 LYS A 130 19.512 -7.963 -7.681 1.00 27.52 H new ATOM 0 HG3 LYS A 130 18.740 -8.684 -9.080 1.00 27.52 H new ATOM 0 HD2 LYS A 130 19.775 -10.419 -7.681 1.00 27.65 H new ATOM 0 HD3 LYS A 130 20.547 -10.358 -9.253 1.00 27.65 H new ATOM 0 HE2 LYS A 130 22.215 -10.545 -7.432 1.00 28.04 H new ATOM 0 HE3 LYS A 130 22.421 -9.061 -8.341 1.00 28.04 H new ATOM 0 HZ1 LYS A 130 22.519 -8.837 -5.869 1.00 28.17 H new ATOM 0 HZ2 LYS A 130 21.405 -7.806 -6.629 1.00 28.17 H new ATOM 0 HZ3 LYS A 130 20.860 -9.194 -5.817 1.00 28.17 H new ATOM 2135 N SER A 131 19.016 -4.566 -8.185 1.00 28.45 N ATOM 2136 CA SER A 131 18.812 -3.872 -6.923 1.00 28.77 C ATOM 2137 C SER A 131 17.598 -4.457 -6.203 1.00 28.91 C ATOM 2138 O SER A 131 16.637 -4.870 -6.847 1.00 29.19 O ATOM 2139 CB SER A 131 18.608 -2.374 -7.169 1.00 29.25 C ATOM 2140 OG SER A 131 19.709 -1.814 -7.867 1.00 29.23 O ATOM 0 H SER A 131 18.383 -4.276 -8.931 1.00 28.45 H new ATOM 0 HA SER A 131 19.695 -4.004 -6.298 1.00 28.77 H new ATOM 0 HB2 SER A 131 17.694 -2.218 -7.742 1.00 29.25 H new ATOM 0 HB3 SER A 131 18.479 -1.861 -6.216 1.00 29.25 H new ATOM 0 HG SER A 131 20.367 -2.515 -8.057 1.00 29.23 H new ATOM 2146 N PRO A 132 17.633 -4.520 -4.863 1.00 28.80 N ATOM 2147 CA PRO A 132 16.523 -5.064 -4.069 1.00 29.01 C ATOM 2148 C PRO A 132 15.246 -4.238 -4.212 1.00 29.52 C ATOM 2149 O PRO A 132 14.144 -4.787 -4.295 1.00 29.70 O ATOM 2150 CB PRO A 132 17.042 -5.005 -2.624 1.00 28.82 C ATOM 2151 CG PRO A 132 18.521 -4.860 -2.747 1.00 28.49 C ATOM 2152 CD PRO A 132 18.750 -4.088 -4.011 1.00 28.57 C ATOM 0 HA PRO A 132 16.251 -6.068 -4.393 1.00 29.01 H new ATOM 0 HB2 PRO A 132 16.607 -4.164 -2.083 1.00 28.82 H new ATOM 0 HB3 PRO A 132 16.779 -5.908 -2.074 1.00 28.82 H new ATOM 0 HG2 PRO A 132 18.936 -4.334 -1.887 1.00 28.49 H new ATOM 0 HG3 PRO A 132 19.008 -5.834 -2.790 1.00 28.49 H new ATOM 0 HD2 PRO A 132 18.733 -3.012 -3.837 1.00 28.57 H new ATOM 0 HD3 PRO A 132 19.715 -4.323 -4.459 1.00 28.57 H new ATOM 2160 N ALA A 133 15.401 -2.921 -4.264 1.00 29.82 N ATOM 2161 CA ALA A 133 14.263 -2.021 -4.368 1.00 30.39 C ATOM 2162 C ALA A 133 14.099 -1.502 -5.788 1.00 30.54 C ATOM 2163 O ALA A 133 14.209 -0.301 -6.044 1.00 30.82 O ATOM 2164 CB ALA A 133 14.413 -0.862 -3.403 1.00 30.73 C ATOM 0 H ALA A 133 16.307 -2.453 -4.236 1.00 29.82 H new ATOM 0 HA ALA A 133 13.368 -2.585 -4.107 1.00 30.39 H new ATOM 0 HB1 ALA A 133 13.553 -0.199 -3.494 1.00 30.73 H new ATOM 0 HB2 ALA A 133 14.471 -1.243 -2.383 1.00 30.73 H new ATOM 0 HB3 ALA A 133 15.323 -0.310 -3.636 1.00 30.73 H new ATOM 2170 N LEU A 134 13.876 -2.417 -6.710 1.00 30.43 N ATOM 2171 CA LEU A 134 13.579 -2.056 -8.090 1.00 30.66 C ATOM 2172 C LEU A 134 12.138 -1.580 -8.206 1.00 30.82 C ATOM 2173 O LEU A 134 11.927 -0.362 -8.383 1.00 31.05 O ATOM 2174 CB LEU A 134 13.824 -3.234 -9.037 1.00 30.92 C ATOM 2175 CG LEU A 134 15.295 -3.576 -9.277 1.00 30.78 C ATOM 2176 CD1 LEU A 134 15.419 -4.787 -10.187 1.00 31.20 C ATOM 2177 CD2 LEU A 134 16.029 -2.384 -9.874 1.00 30.60 C ATOM 0 H LEU A 134 13.894 -3.421 -6.532 1.00 30.43 H new ATOM 0 HA LEU A 134 14.249 -1.247 -8.380 1.00 30.66 H new ATOM 0 HB2 LEU A 134 13.323 -4.114 -8.634 1.00 30.92 H new ATOM 0 HB3 LEU A 134 13.357 -3.012 -9.997 1.00 30.92 H new ATOM 0 HG LEU A 134 15.753 -3.818 -8.318 1.00 30.78 H new ATOM 0 HD11 LEU A 134 16.473 -5.016 -10.347 1.00 31.20 H new ATOM 0 HD12 LEU A 134 14.928 -5.643 -9.723 1.00 31.20 H new ATOM 0 HD13 LEU A 134 14.945 -4.572 -11.145 1.00 31.20 H new ATOM 0 HD21 LEU A 134 17.074 -2.645 -10.038 1.00 30.60 H new ATOM 0 HD22 LEU A 134 15.569 -2.112 -10.824 1.00 30.60 H new ATOM 0 HD23 LEU A 134 15.970 -1.539 -9.188 1.00 30.60 H new ATOM 2189 N HIS A 135 11.223 -2.419 -8.080 1.00 30.79 N TER 2190 HIS A 135