USER MOD reduce.3.24.130724 H: found=0, std=0, add=1614, rem=0, adj=50 USER MOD reduce.3.24.130724 removed 1614 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 7 THR OG1 : rot 81:sc= -0.021! USER MOD Set 1.2: B 45 GLN : amide:sc= -15.5! C(o=-15!,f=-18!) USER MOD Set 1.3: B 85 LYS NZ :NH3+ 146:sc= 0.0706 (180deg=-0.661) USER MOD Set 2.1: A 15 THR OG1 : rot -144:sc= 0.638 USER MOD Set 2.2: B 15 THR OG1 : rot 144:sc= 0.723 USER MOD Set 3.1: A 45 GLN : amide:sc= -15.7! C(o=-15!,f=-18!) USER MOD Set 3.2: A 85 LYS NZ :NH3+ 140:sc= -0.13 (180deg=-0.712) USER MOD Set 3.3: B 7 THR OG1 : rot 81:sc= 0.428! USER MOD Single : A 1 MET CE :methyl -107:sc= -3.02 (180deg=-5.03!) USER MOD Single : A 1 MET N :NH3+ -177:sc= 0.99 (180deg=0.98) USER MOD Single : A 5 THR OG1 : rot 102:sc= 0.081 USER MOD Single : A 18 SER OG : rot 88:sc= 1.08 USER MOD Single : A 19 THR OG1 : rot -73:sc= 1.24 USER MOD Single : A 22 THR OG1 : rot -95:sc= 1.22 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 SER OG : rot 84:sc= -1.06! USER MOD Single : A 34 ASN : amide:sc= -2.59! C(o=-2.6!,f=-11!) USER MOD Single : A 36 ASN : amide:sc= -0.898 K(o=-0.9,f=-3.6!) USER MOD Single : A 39 LYS NZ :NH3+ 167:sc= -1.9! (180deg=-2.29!) USER MOD Single : A 43 THR OG1 : rot -118:sc= 0.761 USER MOD Single : A 44 GLN : amide:sc= 0 K(o=0,f=-0.51) USER MOD Single : A 48 HIS : no HE2:sc= -20.7! C(o=-21!,f=-26!) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 SER OG : rot -87:sc= 0.223 USER MOD Single : A 59 LYS NZ :NH3+ -132:sc= -0.163 (180deg=-0.621) USER MOD Single : A 60 MET CE :methyl -158:sc= -0.191 (180deg=-0.851) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 THR OG1 : rot 83:sc= 0.348 USER MOD Single : A 66 ASN : amide:sc= -4.51! C(o=-4.5!,f=-6.2!) USER MOD Single : A 67 GLN :FLIP amide:sc= -4.75! C(o=-6.5!,f=-4.8!) USER MOD Single : A 69 SER OG : rot 160:sc= -0.0224 USER MOD Single : A 74 SER OG : rot 180:sc= -2.28! USER MOD Single : A 76 TYR OH : rot 59:sc= 0.363 USER MOD Single : A 89 LYS NZ :NH3+ 175:sc= -1.06 (180deg=-1.49) USER MOD Single : A 91 LYS NZ :NH3+ 170:sc= -0.0172 (180deg=-0.154) USER MOD Single : A 97 LYS NZ :NH3+ 174:sc= 0.353 (180deg=0.324) USER MOD Single : A 98 LYS NZ :NH3+ 169:sc= 0.569 (180deg=0.371) USER MOD Single : B 1 MET CE :methyl -107:sc= -2.58 (180deg=-4.82!) USER MOD Single : B 1 MET N :NH3+ -175:sc= 1.26 (180deg=1.24) USER MOD Single : B 5 THR OG1 : rot 103:sc= 0.275 USER MOD Single : B 18 SER OG : rot 87:sc= 1.03 USER MOD Single : B 19 THR OG1 : rot -68:sc= 0.908 USER MOD Single : B 22 THR OG1 : rot -84:sc= 1.27 USER MOD Single : B 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 32 SER OG : rot 90:sc= -1.08! USER MOD Single : B 34 ASN : amide:sc= -2.85! C(o=-2.9!,f=-11!) USER MOD Single : B 36 ASN : amide:sc= -0.765 K(o=-0.76,f=-3.2!) USER MOD Single : B 39 LYS NZ :NH3+ 163:sc= -1.87! (180deg=-2.31!) USER MOD Single : B 43 THR OG1 : rot -107:sc= 0.878 USER MOD Single : B 44 GLN : amide:sc= 0 K(o=0,f=-0.68) USER MOD Single : B 48 HIS : no HE2:sc= -20.4! C(o=-20!,f=-28!) USER MOD Single : B 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 55 SER OG : rot -94:sc= 0.0786 USER MOD Single : B 59 LYS NZ :NH3+ 153:sc= -0.182 (180deg=-0.57) USER MOD Single : B 60 MET CE :methyl -159:sc= -0.141 (180deg=-0.802) USER MOD Single : B 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 62 THR OG1 : rot 84:sc= 0.277 USER MOD Single : B 66 ASN : amide:sc= -4.3! C(o=-4.3!,f=-6!) USER MOD Single : B 67 GLN :FLIP amide:sc= -4.56! C(o=-7.2!,f=-4.6!) USER MOD Single : B 69 SER OG : rot 170:sc= 0.00359 USER MOD Single : B 74 SER OG : rot 180:sc= -2.74! USER MOD Single : B 76 TYR OH : rot 59:sc= 0.332 USER MOD Single : B 89 LYS NZ :NH3+ 172:sc= -1.01 (180deg=-1.38) USER MOD Single : B 91 LYS NZ :NH3+ 169:sc= -0.0167 (180deg=-0.17) USER MOD Single : B 97 LYS NZ :NH3+ -178:sc= 0.634 (180deg=0.61) USER MOD Single : B 98 LYS NZ :NH3+ 170:sc= 0.616 (180deg=0.492) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -18.452 4.697 -3.533 1.00 0.64 N ATOM 2 CA MET A 1 -17.390 5.712 -3.301 1.00 0.59 C ATOM 3 C MET A 1 -16.119 5.349 -4.057 1.00 0.60 C ATOM 4 O MET A 1 -15.828 4.173 -4.277 1.00 0.61 O ATOM 5 CB MET A 1 -17.060 5.830 -1.816 1.00 0.57 C ATOM 6 CG MET A 1 -17.821 6.937 -1.074 1.00 0.61 C ATOM 7 SD MET A 1 -19.574 7.039 -1.508 1.00 0.96 S ATOM 8 CE MET A 1 -19.563 8.421 -2.647 1.00 1.17 C ATOM 0 H1 MET A 1 -19.325 4.991 -3.050 1.00 0.64 H new ATOM 0 H2 MET A 1 -18.633 4.611 -4.553 1.00 0.64 H new ATOM 0 H3 MET A 1 -18.142 3.778 -3.158 1.00 0.64 H new ATOM 0 HA MET A 1 -17.771 6.666 -3.664 1.00 0.59 H new ATOM 0 HB2 MET A 1 -17.273 4.876 -1.334 1.00 0.57 H new ATOM 0 HB3 MET A 1 -15.990 6.009 -1.709 1.00 0.57 H new ATOM 0 HG2 MET A 1 -17.732 6.769 -0.001 1.00 0.61 H new ATOM 0 HG3 MET A 1 -17.348 7.895 -1.287 1.00 0.61 H new ATOM 0 HE1 MET A 1 -20.007 9.293 -2.166 1.00 1.17 H new ATOM 0 HE2 MET A 1 -18.536 8.648 -2.933 1.00 1.17 H new ATOM 0 HE3 MET A 1 -20.139 8.164 -3.536 1.00 1.17 H new ATOM 20 N ALA A 2 -15.365 6.366 -4.451 1.00 0.62 N ATOM 21 CA ALA A 2 -14.120 6.155 -5.176 1.00 0.65 C ATOM 22 C ALA A 2 -12.906 6.530 -4.343 1.00 0.62 C ATOM 23 O ALA A 2 -13.009 7.259 -3.356 1.00 0.72 O ATOM 24 CB ALA A 2 -14.107 6.935 -6.480 1.00 0.73 C ATOM 0 H ALA A 2 -15.594 7.345 -4.281 1.00 0.62 H new ATOM 0 HA ALA A 2 -14.064 5.089 -5.397 1.00 0.65 H new ATOM 0 HB1 ALA A 2 -13.166 6.759 -7.000 1.00 0.73 H new ATOM 0 HB2 ALA A 2 -14.936 6.608 -7.108 1.00 0.73 H new ATOM 0 HB3 ALA A 2 -14.211 7.999 -6.268 1.00 0.73 H new ATOM 30 N ALA A 3 -11.754 6.018 -4.755 1.00 0.73 N ATOM 31 CA ALA A 3 -10.502 6.293 -4.075 1.00 0.76 C ATOM 32 C ALA A 3 -10.077 7.739 -4.283 1.00 0.66 C ATOM 33 O ALA A 3 -9.197 8.030 -5.092 1.00 0.81 O ATOM 34 CB ALA A 3 -9.423 5.352 -4.578 1.00 1.06 C ATOM 0 H ALA A 3 -11.664 5.405 -5.565 1.00 0.73 H new ATOM 0 HA ALA A 3 -10.647 6.132 -3.007 1.00 0.76 H new ATOM 0 HB1 ALA A 3 -8.486 5.564 -4.063 1.00 1.06 H new ATOM 0 HB2 ALA A 3 -9.719 4.321 -4.382 1.00 1.06 H new ATOM 0 HB3 ALA A 3 -9.288 5.493 -5.650 1.00 1.06 H new ATOM 40 N GLU A 4 -10.717 8.644 -3.554 1.00 0.63 N ATOM 41 CA GLU A 4 -10.407 10.060 -3.654 1.00 0.75 C ATOM 42 C GLU A 4 -9.039 10.350 -3.015 1.00 0.74 C ATOM 43 O GLU A 4 -8.032 9.798 -3.458 1.00 0.85 O ATOM 44 CB GLU A 4 -11.526 10.869 -3.009 1.00 0.97 C ATOM 45 CG GLU A 4 -12.907 10.390 -3.393 1.00 1.44 C ATOM 46 CD GLU A 4 -13.992 11.314 -2.883 1.00 2.42 C ATOM 47 OE1 GLU A 4 -13.717 12.071 -1.937 1.00 3.20 O ATOM 48 OE2 GLU A 4 -15.110 11.289 -3.440 1.00 3.03 O ATOM 0 H GLU A 4 -11.455 8.420 -2.886 1.00 0.63 H new ATOM 0 HA GLU A 4 -10.340 10.354 -4.701 1.00 0.75 H new ATOM 0 HB2 GLU A 4 -11.421 10.822 -1.925 1.00 0.97 H new ATOM 0 HB3 GLU A 4 -11.419 11.916 -3.294 1.00 0.97 H new ATOM 0 HG2 GLU A 4 -12.976 10.315 -4.478 1.00 1.44 H new ATOM 0 HG3 GLU A 4 -13.067 9.388 -2.994 1.00 1.44 H new ATOM 55 N THR A 5 -8.982 11.201 -1.983 1.00 0.69 N ATOM 56 CA THR A 5 -7.717 11.499 -1.337 1.00 0.74 C ATOM 57 C THR A 5 -7.171 10.277 -0.567 1.00 0.61 C ATOM 58 O THR A 5 -7.215 9.162 -1.086 1.00 0.78 O ATOM 59 CB THR A 5 -7.868 12.716 -0.414 1.00 0.93 C ATOM 60 OG1 THR A 5 -8.833 13.626 -0.956 1.00 1.43 O ATOM 61 CG2 THR A 5 -6.534 13.420 -0.269 1.00 1.09 C ATOM 0 H THR A 5 -9.789 11.684 -1.589 1.00 0.69 H new ATOM 0 HA THR A 5 -6.988 11.740 -2.111 1.00 0.74 H new ATOM 0 HB THR A 5 -8.206 12.376 0.565 1.00 0.93 H new ATOM 0 HG1 THR A 5 -9.681 13.529 -0.474 1.00 1.43 H new ATOM 0 HG21 THR A 5 -6.647 14.283 0.387 1.00 1.09 H new ATOM 0 HG22 THR A 5 -5.804 12.732 0.159 1.00 1.09 H new ATOM 0 HG23 THR A 5 -6.189 13.752 -1.248 1.00 1.09 H new ATOM 69 N LEU A 6 -6.660 10.467 0.661 1.00 0.54 N ATOM 70 CA LEU A 6 -6.095 9.355 1.421 1.00 0.50 C ATOM 71 C LEU A 6 -7.116 8.748 2.347 1.00 0.49 C ATOM 72 O LEU A 6 -7.606 9.387 3.276 1.00 0.56 O ATOM 73 CB LEU A 6 -4.852 9.767 2.225 1.00 0.61 C ATOM 74 CG LEU A 6 -4.890 11.152 2.865 1.00 0.75 C ATOM 75 CD1 LEU A 6 -5.836 11.191 4.054 1.00 1.15 C ATOM 76 CD2 LEU A 6 -3.490 11.579 3.281 1.00 1.07 C ATOM 0 H LEU A 6 -6.629 11.368 1.137 1.00 0.54 H new ATOM 0 HA LEU A 6 -5.791 8.610 0.686 1.00 0.50 H new ATOM 0 HB2 LEU A 6 -4.694 9.030 3.013 1.00 0.61 H new ATOM 0 HB3 LEU A 6 -3.986 9.719 1.565 1.00 0.61 H new ATOM 0 HG LEU A 6 -5.267 11.854 2.122 1.00 0.75 H new ATOM 0 HD11 LEU A 6 -5.838 12.192 4.485 1.00 1.15 H new ATOM 0 HD12 LEU A 6 -6.844 10.935 3.726 1.00 1.15 H new ATOM 0 HD13 LEU A 6 -5.506 10.473 4.805 1.00 1.15 H new ATOM 0 HD21 LEU A 6 -3.532 12.569 3.736 1.00 1.07 H new ATOM 0 HD22 LEU A 6 -3.091 10.865 4.001 1.00 1.07 H new ATOM 0 HD23 LEU A 6 -2.843 11.610 2.404 1.00 1.07 H new ATOM 88 N THR A 7 -7.446 7.509 2.079 1.00 0.50 N ATOM 89 CA THR A 7 -8.413 6.806 2.890 1.00 0.54 C ATOM 90 C THR A 7 -7.771 6.345 4.176 1.00 0.48 C ATOM 91 O THR A 7 -6.568 6.487 4.365 1.00 0.54 O ATOM 92 CB THR A 7 -9.006 5.582 2.159 1.00 0.62 C ATOM 93 OG1 THR A 7 -8.569 5.561 0.795 1.00 0.85 O ATOM 94 CG2 THR A 7 -10.532 5.575 2.212 1.00 0.83 C ATOM 0 H THR A 7 -7.061 6.965 1.307 1.00 0.50 H new ATOM 0 HA THR A 7 -9.224 7.504 3.099 1.00 0.54 H new ATOM 0 HB THR A 7 -8.648 4.689 2.672 1.00 0.62 H new ATOM 0 HG1 THR A 7 -7.666 5.182 0.746 1.00 0.85 H new ATOM 0 HG21 THR A 7 -10.910 4.698 1.687 1.00 0.83 H new ATOM 0 HG22 THR A 7 -10.860 5.545 3.251 1.00 0.83 H new ATOM 0 HG23 THR A 7 -10.917 6.477 1.736 1.00 0.83 H new ATOM 102 N GLU A 8 -8.579 5.759 5.043 1.00 0.45 N ATOM 103 CA GLU A 8 -8.099 5.253 6.331 1.00 0.44 C ATOM 104 C GLU A 8 -6.746 4.552 6.183 1.00 0.41 C ATOM 105 O GLU A 8 -5.952 4.498 7.123 1.00 0.42 O ATOM 106 CB GLU A 8 -9.104 4.278 6.943 1.00 0.50 C ATOM 107 CG GLU A 8 -10.558 4.688 6.773 1.00 0.52 C ATOM 108 CD GLU A 8 -10.819 6.114 7.215 1.00 1.09 C ATOM 109 OE1 GLU A 8 -11.097 6.321 8.415 1.00 1.67 O ATOM 110 OE2 GLU A 8 -10.742 7.023 6.363 1.00 1.94 O ATOM 0 H GLU A 8 -9.577 5.618 4.883 1.00 0.45 H new ATOM 0 HA GLU A 8 -7.983 6.113 6.991 1.00 0.44 H new ATOM 0 HB2 GLU A 8 -8.961 3.296 6.492 1.00 0.50 H new ATOM 0 HB3 GLU A 8 -8.890 4.174 8.007 1.00 0.50 H new ATOM 0 HG2 GLU A 8 -10.842 4.579 5.726 1.00 0.52 H new ATOM 0 HG3 GLU A 8 -11.191 4.012 7.348 1.00 0.52 H new ATOM 117 N LEU A 9 -6.499 4.018 4.990 1.00 0.41 N ATOM 118 CA LEU A 9 -5.265 3.316 4.692 1.00 0.40 C ATOM 119 C LEU A 9 -4.036 4.174 4.975 1.00 0.38 C ATOM 120 O LEU A 9 -2.954 3.645 5.231 1.00 0.39 O ATOM 121 CB LEU A 9 -5.294 2.899 3.227 1.00 0.45 C ATOM 122 CG LEU A 9 -6.622 2.301 2.733 1.00 0.57 C ATOM 123 CD1 LEU A 9 -6.378 1.350 1.576 1.00 0.93 C ATOM 124 CD2 LEU A 9 -7.389 1.603 3.856 1.00 0.92 C ATOM 0 H LEU A 9 -7.151 4.062 4.207 1.00 0.41 H new ATOM 0 HA LEU A 9 -5.193 2.441 5.338 1.00 0.40 H new ATOM 0 HB2 LEU A 9 -5.058 3.770 2.615 1.00 0.45 H new ATOM 0 HB3 LEU A 9 -4.503 2.168 3.060 1.00 0.45 H new ATOM 0 HG LEU A 9 -7.243 3.126 2.384 1.00 0.57 H new ATOM 0 HD11 LEU A 9 -7.328 0.936 1.239 1.00 0.93 H new ATOM 0 HD12 LEU A 9 -5.905 1.889 0.755 1.00 0.93 H new ATOM 0 HD13 LEU A 9 -5.725 0.541 1.902 1.00 0.93 H new ATOM 0 HD21 LEU A 9 -8.320 1.196 3.462 1.00 0.92 H new ATOM 0 HD22 LEU A 9 -6.782 0.794 4.263 1.00 0.92 H new ATOM 0 HD23 LEU A 9 -7.612 2.321 4.645 1.00 0.92 H new ATOM 136 N GLU A 10 -4.195 5.496 4.932 1.00 0.38 N ATOM 137 CA GLU A 10 -3.076 6.389 5.226 1.00 0.39 C ATOM 138 C GLU A 10 -2.544 6.060 6.610 1.00 0.38 C ATOM 139 O GLU A 10 -1.342 6.088 6.851 1.00 0.40 O ATOM 140 CB GLU A 10 -3.498 7.857 5.155 1.00 0.46 C ATOM 141 CG GLU A 10 -4.911 8.103 5.628 1.00 0.45 C ATOM 142 CD GLU A 10 -5.002 9.232 6.637 1.00 0.56 C ATOM 143 OE1 GLU A 10 -4.518 10.343 6.333 1.00 1.27 O ATOM 144 OE2 GLU A 10 -5.557 9.005 7.733 1.00 1.16 O ATOM 0 H GLU A 10 -5.071 5.966 4.701 1.00 0.38 H new ATOM 0 HA GLU A 10 -2.297 6.240 4.478 1.00 0.39 H new ATOM 0 HB2 GLU A 10 -2.813 8.453 5.758 1.00 0.46 H new ATOM 0 HB3 GLU A 10 -3.402 8.205 4.126 1.00 0.46 H new ATOM 0 HG2 GLU A 10 -5.542 8.336 4.770 1.00 0.45 H new ATOM 0 HG3 GLU A 10 -5.305 7.190 6.074 1.00 0.45 H new ATOM 151 N ALA A 11 -3.457 5.738 7.519 1.00 0.39 N ATOM 152 CA ALA A 11 -3.075 5.359 8.872 1.00 0.39 C ATOM 153 C ALA A 11 -2.089 4.205 8.814 1.00 0.36 C ATOM 154 O ALA A 11 -1.214 4.069 9.669 1.00 0.39 O ATOM 155 CB ALA A 11 -4.297 4.968 9.689 1.00 0.42 C ATOM 0 H ALA A 11 -4.462 5.732 7.344 1.00 0.39 H new ATOM 0 HA ALA A 11 -2.604 6.214 9.358 1.00 0.39 H new ATOM 0 HB1 ALA A 11 -3.987 4.689 10.696 1.00 0.42 H new ATOM 0 HB2 ALA A 11 -4.985 5.812 9.742 1.00 0.42 H new ATOM 0 HB3 ALA A 11 -4.796 4.123 9.215 1.00 0.42 H new ATOM 161 N ALA A 12 -2.245 3.376 7.787 1.00 0.33 N ATOM 162 CA ALA A 12 -1.363 2.241 7.585 1.00 0.33 C ATOM 163 C ALA A 12 -0.021 2.713 7.051 1.00 0.33 C ATOM 164 O ALA A 12 1.000 2.051 7.240 1.00 0.34 O ATOM 165 CB ALA A 12 -1.995 1.236 6.634 1.00 0.34 C ATOM 0 H ALA A 12 -2.976 3.472 7.083 1.00 0.33 H new ATOM 0 HA ALA A 12 -1.203 1.747 8.543 1.00 0.33 H new ATOM 0 HB1 ALA A 12 -1.319 0.392 6.495 1.00 0.34 H new ATOM 0 HB2 ALA A 12 -2.937 0.881 7.053 1.00 0.34 H new ATOM 0 HB3 ALA A 12 -2.182 1.713 5.672 1.00 0.34 H new ATOM 171 N ILE A 13 -0.024 3.865 6.380 1.00 0.36 N ATOM 172 CA ILE A 13 1.204 4.421 5.839 1.00 0.40 C ATOM 173 C ILE A 13 2.236 4.562 6.959 1.00 0.39 C ATOM 174 O ILE A 13 3.439 4.457 6.734 1.00 0.42 O ATOM 175 CB ILE A 13 0.963 5.787 5.129 1.00 0.47 C ATOM 176 CG1 ILE A 13 1.969 5.975 3.990 1.00 0.90 C ATOM 177 CG2 ILE A 13 1.038 6.971 6.094 1.00 0.99 C ATOM 178 CD1 ILE A 13 3.398 6.119 4.459 1.00 2.05 C ATOM 0 H ILE A 13 -0.859 4.423 6.202 1.00 0.36 H new ATOM 0 HA ILE A 13 1.584 3.736 5.081 1.00 0.40 H new ATOM 0 HB ILE A 13 -0.049 5.763 4.726 1.00 0.47 H new ATOM 0 HG12 ILE A 13 1.902 5.123 3.314 1.00 0.90 H new ATOM 0 HG13 ILE A 13 1.693 6.860 3.416 1.00 0.90 H new ATOM 0 HG21 ILE A 13 0.863 7.898 5.547 1.00 0.99 H new ATOM 0 HG22 ILE A 13 0.279 6.858 6.869 1.00 0.99 H new ATOM 0 HG23 ILE A 13 2.025 7.003 6.555 1.00 0.99 H new ATOM 0 HD11 ILE A 13 4.053 6.248 3.597 1.00 2.05 H new ATOM 0 HD12 ILE A 13 3.481 6.988 5.111 1.00 2.05 H new ATOM 0 HD13 ILE A 13 3.693 5.224 5.007 1.00 2.05 H new ATOM 190 N GLU A 14 1.731 4.788 8.173 1.00 0.39 N ATOM 191 CA GLU A 14 2.574 4.950 9.350 1.00 0.42 C ATOM 192 C GLU A 14 3.361 3.681 9.648 1.00 0.38 C ATOM 193 O GLU A 14 4.536 3.744 10.010 1.00 0.46 O ATOM 194 CB GLU A 14 1.721 5.327 10.563 1.00 0.46 C ATOM 195 CG GLU A 14 0.955 6.627 10.387 1.00 0.79 C ATOM 196 CD GLU A 14 1.870 7.827 10.235 1.00 1.46 C ATOM 197 OE1 GLU A 14 2.300 8.106 9.096 1.00 2.25 O ATOM 198 OE2 GLU A 14 2.160 8.485 11.256 1.00 2.02 O ATOM 0 H GLU A 14 0.732 4.863 8.363 1.00 0.39 H new ATOM 0 HA GLU A 14 3.284 5.751 9.143 1.00 0.42 H new ATOM 0 HB2 GLU A 14 1.014 4.522 10.763 1.00 0.46 H new ATOM 0 HB3 GLU A 14 2.365 5.410 11.438 1.00 0.46 H new ATOM 0 HG2 GLU A 14 0.313 6.550 9.509 1.00 0.79 H new ATOM 0 HG3 GLU A 14 0.302 6.779 11.247 1.00 0.79 H new ATOM 205 N THR A 15 2.718 2.525 9.504 1.00 0.30 N ATOM 206 CA THR A 15 3.398 1.261 9.758 1.00 0.28 C ATOM 207 C THR A 15 4.478 1.036 8.713 1.00 0.29 C ATOM 208 O THR A 15 5.657 0.888 9.028 1.00 0.35 O ATOM 209 CB THR A 15 2.426 0.066 9.725 1.00 0.28 C ATOM 210 OG1 THR A 15 1.363 0.261 10.664 1.00 0.29 O ATOM 211 CG2 THR A 15 3.155 -1.230 10.042 1.00 0.32 C ATOM 0 H THR A 15 1.743 2.438 9.217 1.00 0.30 H new ATOM 0 HA THR A 15 3.834 1.325 10.755 1.00 0.28 H new ATOM 0 HB THR A 15 2.009 -0.001 8.720 1.00 0.28 H new ATOM 0 HG1 THR A 15 1.115 -0.600 11.061 1.00 0.29 H new ATOM 0 HG21 THR A 15 2.450 -2.061 10.013 1.00 0.32 H new ATOM 0 HG22 THR A 15 3.941 -1.395 9.305 1.00 0.32 H new ATOM 0 HG23 THR A 15 3.598 -1.165 11.036 1.00 0.32 H new ATOM 219 N VAL A 16 4.051 1.025 7.462 1.00 0.27 N ATOM 220 CA VAL A 16 4.942 0.822 6.334 1.00 0.28 C ATOM 221 C VAL A 16 6.052 1.866 6.292 1.00 0.30 C ATOM 222 O VAL A 16 7.183 1.564 5.910 1.00 0.36 O ATOM 223 CB VAL A 16 4.146 0.870 5.024 1.00 0.30 C ATOM 224 CG1 VAL A 16 3.449 2.210 4.884 1.00 0.33 C ATOM 225 CG2 VAL A 16 5.048 0.605 3.832 1.00 0.33 C ATOM 0 H VAL A 16 3.074 1.157 7.200 1.00 0.27 H new ATOM 0 HA VAL A 16 5.405 -0.157 6.454 1.00 0.28 H new ATOM 0 HB VAL A 16 3.389 0.086 5.051 1.00 0.30 H new ATOM 0 HG11 VAL A 16 2.887 2.232 3.950 1.00 0.33 H new ATOM 0 HG12 VAL A 16 2.767 2.354 5.722 1.00 0.33 H new ATOM 0 HG13 VAL A 16 4.192 3.008 4.879 1.00 0.33 H new ATOM 0 HG21 VAL A 16 4.460 0.644 2.915 1.00 0.33 H new ATOM 0 HG22 VAL A 16 5.832 1.362 3.793 1.00 0.33 H new ATOM 0 HG23 VAL A 16 5.501 -0.382 3.931 1.00 0.33 H new ATOM 235 N VAL A 17 5.732 3.097 6.681 1.00 0.31 N ATOM 236 CA VAL A 17 6.719 4.170 6.670 1.00 0.33 C ATOM 237 C VAL A 17 7.625 4.112 7.899 1.00 0.30 C ATOM 238 O VAL A 17 8.829 4.349 7.811 1.00 0.32 O ATOM 239 CB VAL A 17 6.056 5.560 6.600 1.00 0.43 C ATOM 240 CG1 VAL A 17 5.355 5.905 7.907 1.00 0.45 C ATOM 241 CG2 VAL A 17 7.085 6.625 6.246 1.00 0.50 C ATOM 0 H VAL A 17 4.805 3.374 7.005 1.00 0.31 H new ATOM 0 HA VAL A 17 7.320 4.021 5.773 1.00 0.33 H new ATOM 0 HB VAL A 17 5.301 5.531 5.815 1.00 0.43 H new ATOM 0 HG11 VAL A 17 4.898 6.891 7.825 1.00 0.45 H new ATOM 0 HG12 VAL A 17 4.583 5.163 8.113 1.00 0.45 H new ATOM 0 HG13 VAL A 17 6.081 5.908 8.720 1.00 0.45 H new ATOM 0 HG21 VAL A 17 6.599 7.600 6.201 1.00 0.50 H new ATOM 0 HG22 VAL A 17 7.866 6.644 7.006 1.00 0.50 H new ATOM 0 HG23 VAL A 17 7.528 6.395 5.277 1.00 0.50 H new ATOM 251 N SER A 18 7.032 3.801 9.047 1.00 0.33 N ATOM 252 CA SER A 18 7.778 3.733 10.298 1.00 0.40 C ATOM 253 C SER A 18 8.532 2.412 10.452 1.00 0.44 C ATOM 254 O SER A 18 9.321 2.251 11.379 1.00 0.59 O ATOM 255 CB SER A 18 6.837 3.932 11.486 1.00 0.51 C ATOM 256 OG SER A 18 6.185 5.188 11.415 1.00 1.32 O ATOM 0 H SER A 18 6.038 3.592 9.137 1.00 0.33 H new ATOM 0 HA SER A 18 8.517 4.534 10.275 1.00 0.40 H new ATOM 0 HB2 SER A 18 6.095 3.134 11.504 1.00 0.51 H new ATOM 0 HB3 SER A 18 7.401 3.864 12.416 1.00 0.51 H new ATOM 0 HG SER A 18 5.367 5.102 10.883 1.00 1.32 H new ATOM 262 N THR A 19 8.238 1.443 9.599 1.00 0.37 N ATOM 263 CA THR A 19 8.930 0.157 9.661 1.00 0.44 C ATOM 264 C THR A 19 10.239 0.121 8.858 1.00 0.46 C ATOM 265 O THR A 19 11.320 0.391 9.381 1.00 0.54 O ATOM 266 CB THR A 19 8.022 -1.016 9.225 1.00 0.45 C ATOM 267 OG1 THR A 19 7.520 -0.806 7.895 1.00 0.42 O ATOM 268 CG2 THR A 19 6.861 -1.193 10.194 1.00 0.49 C ATOM 0 H THR A 19 7.535 1.516 8.863 1.00 0.37 H new ATOM 0 HA THR A 19 9.189 0.036 10.713 1.00 0.44 H new ATOM 0 HB THR A 19 8.626 -1.924 9.233 1.00 0.45 H new ATOM 0 HG1 THR A 19 6.839 -0.102 7.910 1.00 0.42 H new ATOM 0 HG21 THR A 19 6.237 -2.024 9.866 1.00 0.49 H new ATOM 0 HG22 THR A 19 7.248 -1.402 11.191 1.00 0.49 H new ATOM 0 HG23 THR A 19 6.266 -0.280 10.219 1.00 0.49 H new ATOM 276 N PHE A 20 10.106 -0.219 7.580 1.00 0.45 N ATOM 277 CA PHE A 20 11.227 -0.380 6.655 1.00 0.54 C ATOM 278 C PHE A 20 11.676 0.939 6.071 1.00 0.52 C ATOM 279 O PHE A 20 12.871 1.188 5.909 1.00 0.64 O ATOM 280 CB PHE A 20 10.797 -1.345 5.542 1.00 0.60 C ATOM 281 CG PHE A 20 11.656 -1.329 4.304 1.00 0.72 C ATOM 282 CD1 PHE A 20 13.028 -1.497 4.382 1.00 1.60 C ATOM 283 CD2 PHE A 20 11.079 -1.155 3.057 1.00 1.26 C ATOM 284 CE1 PHE A 20 13.804 -1.492 3.244 1.00 1.77 C ATOM 285 CE2 PHE A 20 11.850 -1.153 1.916 1.00 1.37 C ATOM 286 CZ PHE A 20 13.213 -1.322 2.010 1.00 1.18 C ATOM 0 H PHE A 20 9.199 -0.394 7.148 1.00 0.45 H new ATOM 0 HA PHE A 20 12.080 -0.783 7.200 1.00 0.54 H new ATOM 0 HB2 PHE A 20 10.790 -2.358 5.945 1.00 0.60 H new ATOM 0 HB3 PHE A 20 9.772 -1.109 5.256 1.00 0.60 H new ATOM 0 HD1 PHE A 20 13.495 -1.634 5.346 1.00 1.60 H new ATOM 0 HD2 PHE A 20 10.010 -1.019 2.978 1.00 1.26 H new ATOM 0 HE1 PHE A 20 14.874 -1.621 3.318 1.00 1.77 H new ATOM 0 HE2 PHE A 20 11.387 -1.019 0.950 1.00 1.37 H new ATOM 0 HZ PHE A 20 13.820 -1.321 1.117 1.00 1.18 H new ATOM 296 N PHE A 21 10.716 1.780 5.758 1.00 0.44 N ATOM 297 CA PHE A 21 11.013 3.062 5.172 1.00 0.47 C ATOM 298 C PHE A 21 11.862 3.894 6.109 1.00 0.49 C ATOM 299 O PHE A 21 12.466 4.882 5.702 1.00 0.62 O ATOM 300 CB PHE A 21 9.713 3.779 4.816 1.00 0.48 C ATOM 301 CG PHE A 21 8.860 3.048 3.794 1.00 0.45 C ATOM 302 CD1 PHE A 21 9.296 1.854 3.233 1.00 1.16 C ATOM 303 CD2 PHE A 21 7.614 3.540 3.411 1.00 1.39 C ATOM 304 CE1 PHE A 21 8.515 1.177 2.315 1.00 1.13 C ATOM 305 CE2 PHE A 21 6.832 2.857 2.498 1.00 1.44 C ATOM 306 CZ PHE A 21 7.283 1.677 1.950 1.00 0.54 C ATOM 0 H PHE A 21 9.723 1.597 5.901 1.00 0.44 H new ATOM 0 HA PHE A 21 11.586 2.913 4.257 1.00 0.47 H new ATOM 0 HB2 PHE A 21 9.129 3.922 5.725 1.00 0.48 H new ATOM 0 HB3 PHE A 21 9.951 4.771 4.431 1.00 0.48 H new ATOM 0 HD1 PHE A 21 10.256 1.450 3.517 1.00 1.16 H new ATOM 0 HD2 PHE A 21 7.254 4.467 3.833 1.00 1.39 H new ATOM 0 HE1 PHE A 21 8.871 0.254 1.882 1.00 1.13 H new ATOM 0 HE2 PHE A 21 5.867 3.249 2.214 1.00 1.44 H new ATOM 0 HZ PHE A 21 6.673 1.144 1.236 1.00 0.54 H new ATOM 316 N THR A 22 11.927 3.499 7.369 1.00 0.47 N ATOM 317 CA THR A 22 12.750 4.239 8.307 1.00 0.54 C ATOM 318 C THR A 22 14.209 4.206 7.876 1.00 0.49 C ATOM 319 O THR A 22 15.017 5.014 8.334 1.00 0.54 O ATOM 320 CB THR A 22 12.642 3.676 9.720 1.00 0.66 C ATOM 321 OG1 THR A 22 13.188 2.368 9.750 1.00 0.66 O ATOM 322 CG2 THR A 22 11.203 3.660 10.167 1.00 0.81 C ATOM 0 H THR A 22 11.435 2.694 7.757 1.00 0.47 H new ATOM 0 HA THR A 22 12.384 5.266 8.311 1.00 0.54 H new ATOM 0 HB THR A 22 13.204 4.311 10.405 1.00 0.66 H new ATOM 0 HG1 THR A 22 12.471 1.711 9.630 1.00 0.66 H new ATOM 0 HG21 THR A 22 11.140 3.256 11.177 1.00 0.81 H new ATOM 0 HG22 THR A 22 10.808 4.676 10.157 1.00 0.81 H new ATOM 0 HG23 THR A 22 10.619 3.037 9.490 1.00 0.81 H new ATOM 330 N PHE A 23 14.550 3.263 6.992 1.00 0.49 N ATOM 331 CA PHE A 23 15.924 3.144 6.535 1.00 0.51 C ATOM 332 C PHE A 23 16.340 4.373 5.731 1.00 0.44 C ATOM 333 O PHE A 23 17.523 4.574 5.463 1.00 0.45 O ATOM 334 CB PHE A 23 16.138 1.811 5.791 1.00 0.68 C ATOM 335 CG PHE A 23 16.183 1.842 4.293 1.00 0.61 C ATOM 336 CD1 PHE A 23 17.204 2.483 3.606 1.00 1.47 C ATOM 337 CD2 PHE A 23 15.224 1.166 3.573 1.00 1.46 C ATOM 338 CE1 PHE A 23 17.251 2.456 2.233 1.00 1.88 C ATOM 339 CE2 PHE A 23 15.272 1.128 2.204 1.00 1.93 C ATOM 340 CZ PHE A 23 16.285 1.777 1.533 1.00 1.82 C ATOM 0 H PHE A 23 13.902 2.586 6.589 1.00 0.49 H new ATOM 0 HA PHE A 23 16.588 3.116 7.399 1.00 0.51 H new ATOM 0 HB2 PHE A 23 17.073 1.377 6.145 1.00 0.68 H new ATOM 0 HB3 PHE A 23 15.339 1.131 6.087 1.00 0.68 H new ATOM 0 HD1 PHE A 23 17.970 3.009 4.156 1.00 1.47 H new ATOM 0 HD2 PHE A 23 14.424 0.660 4.093 1.00 1.46 H new ATOM 0 HE1 PHE A 23 18.044 2.967 1.707 1.00 1.88 H new ATOM 0 HE2 PHE A 23 14.516 0.590 1.652 1.00 1.93 H new ATOM 0 HZ PHE A 23 16.319 1.752 0.454 1.00 1.82 H new ATOM 350 N ALA A 24 15.364 5.232 5.392 1.00 0.50 N ATOM 351 CA ALA A 24 15.645 6.476 4.670 1.00 0.58 C ATOM 352 C ALA A 24 16.872 7.139 5.257 1.00 0.60 C ATOM 353 O ALA A 24 17.734 7.665 4.551 1.00 0.65 O ATOM 354 CB ALA A 24 14.466 7.424 4.788 1.00 0.71 C ATOM 0 H ALA A 24 14.378 5.085 5.607 1.00 0.50 H new ATOM 0 HA ALA A 24 15.818 6.241 3.620 1.00 0.58 H new ATOM 0 HB1 ALA A 24 14.685 8.345 4.248 1.00 0.71 H new ATOM 0 HB2 ALA A 24 13.579 6.956 4.362 1.00 0.71 H new ATOM 0 HB3 ALA A 24 14.287 7.653 5.839 1.00 0.71 H new ATOM 360 N GLY A 25 16.921 7.088 6.579 1.00 0.68 N ATOM 361 CA GLY A 25 18.029 7.638 7.331 1.00 0.81 C ATOM 362 C GLY A 25 19.375 7.375 6.671 1.00 0.71 C ATOM 363 O GLY A 25 20.312 8.159 6.822 1.00 0.80 O ATOM 0 H GLY A 25 16.194 6.665 7.156 1.00 0.68 H new ATOM 0 HA2 GLY A 25 17.888 8.713 7.444 1.00 0.81 H new ATOM 0 HA3 GLY A 25 18.031 7.210 8.333 1.00 0.81 H new ATOM 367 N ARG A 26 19.466 6.266 5.934 1.00 0.60 N ATOM 368 CA ARG A 26 20.694 5.900 5.226 1.00 0.59 C ATOM 369 C ARG A 26 21.306 7.113 4.534 1.00 0.57 C ATOM 370 O ARG A 26 22.507 7.362 4.638 1.00 0.71 O ATOM 371 CB ARG A 26 20.396 4.815 4.195 1.00 0.61 C ATOM 372 CG ARG A 26 20.467 3.408 4.757 1.00 1.17 C ATOM 373 CD ARG A 26 21.903 2.953 4.932 1.00 0.97 C ATOM 374 NE ARG A 26 22.031 1.870 5.902 1.00 1.55 N ATOM 375 CZ ARG A 26 23.041 1.005 5.912 1.00 1.95 C ATOM 376 NH1 ARG A 26 24.020 1.111 5.023 1.00 2.01 N ATOM 377 NH2 ARG A 26 23.077 0.037 6.817 1.00 2.82 N ATOM 0 H ARG A 26 18.700 5.603 5.812 1.00 0.60 H new ATOM 0 HA ARG A 26 21.409 5.522 5.956 1.00 0.59 H new ATOM 0 HB2 ARG A 26 19.402 4.982 3.781 1.00 0.61 H new ATOM 0 HB3 ARG A 26 21.104 4.904 3.371 1.00 0.61 H new ATOM 0 HG2 ARG A 26 19.953 3.372 5.717 1.00 1.17 H new ATOM 0 HG3 ARG A 26 19.945 2.722 4.090 1.00 1.17 H new ATOM 0 HD2 ARG A 26 22.296 2.624 3.970 1.00 0.97 H new ATOM 0 HD3 ARG A 26 22.512 3.798 5.253 1.00 0.97 H new ATOM 0 HE ARG A 26 21.305 1.771 6.612 1.00 1.55 H new ATOM 0 HH11 ARG A 26 24.000 1.858 4.329 1.00 2.01 H new ATOM 0 HH12 ARG A 26 24.793 0.446 5.034 1.00 2.01 H new ATOM 0 HH21 ARG A 26 22.330 -0.045 7.506 1.00 2.82 H new ATOM 0 HH22 ARG A 26 23.852 -0.626 6.824 1.00 2.82 H new ATOM 391 N GLU A 27 20.467 7.859 3.827 1.00 0.50 N ATOM 392 CA GLU A 27 20.915 9.058 3.136 1.00 0.58 C ATOM 393 C GLU A 27 20.831 10.254 4.077 1.00 0.80 C ATOM 394 O GLU A 27 19.766 10.562 4.613 1.00 1.27 O ATOM 395 CB GLU A 27 20.071 9.310 1.884 1.00 0.98 C ATOM 396 CG GLU A 27 20.236 8.247 0.808 1.00 0.85 C ATOM 397 CD GLU A 27 19.536 8.618 -0.485 1.00 1.09 C ATOM 398 OE1 GLU A 27 18.299 8.450 -0.560 1.00 1.63 O ATOM 399 OE2 GLU A 27 20.221 9.078 -1.421 1.00 1.78 O ATOM 0 H GLU A 27 19.474 7.654 3.718 1.00 0.50 H new ATOM 0 HA GLU A 27 21.950 8.916 2.825 1.00 0.58 H new ATOM 0 HB2 GLU A 27 19.021 9.364 2.170 1.00 0.98 H new ATOM 0 HB3 GLU A 27 20.338 10.281 1.466 1.00 0.98 H new ATOM 0 HG2 GLU A 27 21.297 8.094 0.612 1.00 0.85 H new ATOM 0 HG3 GLU A 27 19.840 7.300 1.173 1.00 0.85 H new ATOM 406 N GLY A 28 21.963 10.921 4.275 1.00 1.33 N ATOM 407 CA GLY A 28 22.016 12.068 5.169 1.00 1.88 C ATOM 408 C GLY A 28 20.814 12.982 5.068 1.00 1.36 C ATOM 409 O GLY A 28 19.965 13.004 5.959 1.00 1.58 O ATOM 0 H GLY A 28 22.851 10.688 3.830 1.00 1.33 H new ATOM 0 HA2 GLY A 28 22.104 11.712 6.195 1.00 1.88 H new ATOM 0 HA3 GLY A 28 22.916 12.643 4.953 1.00 1.88 H new ATOM 413 N ARG A 29 20.742 13.738 3.979 1.00 1.16 N ATOM 414 CA ARG A 29 19.650 14.681 3.765 1.00 1.06 C ATOM 415 C ARG A 29 18.297 14.095 4.172 1.00 1.13 C ATOM 416 O ARG A 29 18.140 12.878 4.275 1.00 1.73 O ATOM 417 CB ARG A 29 19.610 15.115 2.298 1.00 1.38 C ATOM 418 CG ARG A 29 18.540 16.152 1.998 1.00 1.78 C ATOM 419 CD ARG A 29 18.777 17.441 2.768 1.00 2.37 C ATOM 420 NE ARG A 29 19.977 18.137 2.316 1.00 2.89 N ATOM 421 CZ ARG A 29 20.390 19.295 2.822 1.00 3.59 C ATOM 422 NH1 ARG A 29 19.702 19.878 3.794 1.00 3.91 N ATOM 423 NH2 ARG A 29 21.491 19.869 2.356 1.00 4.31 N ATOM 0 H ARG A 29 21.430 13.716 3.227 1.00 1.16 H new ATOM 0 HA ARG A 29 19.838 15.548 4.399 1.00 1.06 H new ATOM 0 HB2 ARG A 29 20.584 15.519 2.021 1.00 1.38 H new ATOM 0 HB3 ARG A 29 19.440 14.238 1.673 1.00 1.38 H new ATOM 0 HG2 ARG A 29 18.527 16.364 0.929 1.00 1.78 H new ATOM 0 HG3 ARG A 29 17.560 15.749 2.255 1.00 1.78 H new ATOM 0 HD2 ARG A 29 17.913 18.096 2.653 1.00 2.37 H new ATOM 0 HD3 ARG A 29 18.867 17.217 3.831 1.00 2.37 H new ATOM 0 HE ARG A 29 20.529 17.712 1.571 1.00 2.89 H new ATOM 0 HH11 ARG A 29 18.855 19.438 4.154 1.00 3.91 H new ATOM 0 HH12 ARG A 29 20.020 20.766 4.182 1.00 3.91 H new ATOM 0 HH21 ARG A 29 22.022 19.422 1.609 1.00 4.31 H new ATOM 0 HH22 ARG A 29 21.807 20.757 2.745 1.00 4.31 H new ATOM 437 N LYS A 30 17.325 14.976 4.401 1.00 1.04 N ATOM 438 CA LYS A 30 15.984 14.558 4.791 1.00 1.47 C ATOM 439 C LYS A 30 15.062 14.560 3.581 1.00 1.32 C ATOM 440 O LYS A 30 13.944 15.072 3.637 1.00 1.64 O ATOM 441 CB LYS A 30 15.417 15.500 5.856 1.00 2.03 C ATOM 442 CG LYS A 30 16.425 15.883 6.927 1.00 2.65 C ATOM 443 CD LYS A 30 15.824 16.852 7.932 1.00 3.51 C ATOM 444 CE LYS A 30 16.842 17.268 8.982 1.00 4.01 C ATOM 445 NZ LYS A 30 16.269 18.241 9.954 1.00 4.77 N ATOM 0 H LYS A 30 17.444 15.986 4.322 1.00 1.04 H new ATOM 0 HA LYS A 30 16.047 13.550 5.201 1.00 1.47 H new ATOM 0 HB2 LYS A 30 15.052 16.406 5.371 1.00 2.03 H new ATOM 0 HB3 LYS A 30 14.558 15.024 6.330 1.00 2.03 H new ATOM 0 HG2 LYS A 30 16.768 14.987 7.444 1.00 2.65 H new ATOM 0 HG3 LYS A 30 17.300 16.336 6.460 1.00 2.65 H new ATOM 0 HD2 LYS A 30 15.455 17.736 7.411 1.00 3.51 H new ATOM 0 HD3 LYS A 30 14.966 16.388 8.419 1.00 3.51 H new ATOM 0 HE2 LYS A 30 17.194 16.386 9.516 1.00 4.01 H new ATOM 0 HE3 LYS A 30 17.709 17.711 8.492 1.00 4.01 H new ATOM 0 HZ1 LYS A 30 16.993 18.500 10.654 1.00 4.77 H new ATOM 0 HZ2 LYS A 30 15.956 19.094 9.448 1.00 4.77 H new ATOM 0 HZ3 LYS A 30 15.457 17.809 10.440 1.00 4.77 H new ATOM 459 N GLY A 31 15.539 13.976 2.492 1.00 0.95 N ATOM 460 CA GLY A 31 14.749 13.908 1.280 1.00 0.88 C ATOM 461 C GLY A 31 14.074 12.591 1.161 1.00 0.80 C ATOM 462 O GLY A 31 12.899 12.488 1.443 1.00 0.85 O ATOM 0 H GLY A 31 16.462 13.547 2.426 1.00 0.95 H new ATOM 0 HA2 GLY A 31 14.004 14.704 1.281 1.00 0.88 H new ATOM 0 HA3 GLY A 31 15.390 14.072 0.414 1.00 0.88 H new ATOM 466 N SER A 32 14.783 11.582 0.729 1.00 0.74 N ATOM 467 CA SER A 32 14.162 10.291 0.590 1.00 0.71 C ATOM 468 C SER A 32 15.081 9.164 0.995 1.00 0.70 C ATOM 469 O SER A 32 16.240 9.358 1.358 1.00 0.74 O ATOM 470 CB SER A 32 13.664 10.091 -0.844 1.00 0.68 C ATOM 471 OG SER A 32 13.407 8.730 -1.137 1.00 1.10 O ATOM 0 H SER A 32 15.769 11.625 0.472 1.00 0.74 H new ATOM 0 HA SER A 32 13.311 10.267 1.271 1.00 0.71 H new ATOM 0 HB2 SER A 32 12.754 10.671 -0.995 1.00 0.68 H new ATOM 0 HB3 SER A 32 14.407 10.477 -1.542 1.00 0.68 H new ATOM 0 HG SER A 32 12.508 8.493 -0.828 1.00 1.10 H new ATOM 477 N LEU A 33 14.514 7.991 0.918 1.00 0.72 N ATOM 478 CA LEU A 33 15.189 6.755 1.229 1.00 0.74 C ATOM 479 C LEU A 33 15.727 6.176 -0.054 1.00 0.56 C ATOM 480 O LEU A 33 15.244 6.531 -1.118 1.00 0.52 O ATOM 481 CB LEU A 33 14.193 5.816 1.857 1.00 0.99 C ATOM 482 CG LEU A 33 14.512 4.328 1.820 1.00 1.19 C ATOM 483 CD1 LEU A 33 13.891 3.655 3.032 1.00 1.93 C ATOM 484 CD2 LEU A 33 13.988 3.713 0.526 1.00 1.69 C ATOM 0 H LEU A 33 13.544 7.862 0.630 1.00 0.72 H new ATOM 0 HA LEU A 33 16.014 6.916 1.923 1.00 0.74 H new ATOM 0 HB2 LEU A 33 14.067 6.107 2.900 1.00 0.99 H new ATOM 0 HB3 LEU A 33 13.232 5.967 1.365 1.00 0.99 H new ATOM 0 HG LEU A 33 15.592 4.181 1.849 1.00 1.19 H new ATOM 0 HD11 LEU A 33 14.116 2.589 3.011 1.00 1.93 H new ATOM 0 HD12 LEU A 33 14.300 4.095 3.942 1.00 1.93 H new ATOM 0 HD13 LEU A 33 12.811 3.798 3.014 1.00 1.93 H new ATOM 0 HD21 LEU A 33 14.221 2.648 0.509 1.00 1.69 H new ATOM 0 HD22 LEU A 33 12.908 3.849 0.470 1.00 1.69 H new ATOM 0 HD23 LEU A 33 14.460 4.202 -0.326 1.00 1.69 H new ATOM 496 N ASN A 34 16.744 5.331 0.004 1.00 0.57 N ATOM 497 CA ASN A 34 17.296 4.823 -1.229 1.00 0.47 C ATOM 498 C ASN A 34 17.185 3.302 -1.319 1.00 0.41 C ATOM 499 O ASN A 34 16.081 2.768 -1.298 1.00 0.56 O ATOM 500 CB ASN A 34 18.726 5.332 -1.352 1.00 0.56 C ATOM 501 CG ASN A 34 19.251 5.281 -2.774 1.00 1.37 C ATOM 502 OD1 ASN A 34 19.850 4.290 -3.191 1.00 2.12 O ATOM 503 ND2 ASN A 34 19.031 6.352 -3.526 1.00 2.11 N ATOM 0 H ASN A 34 17.186 4.996 0.860 1.00 0.57 H new ATOM 0 HA ASN A 34 16.721 5.191 -2.079 1.00 0.47 H new ATOM 0 HB2 ASN A 34 18.773 6.359 -0.989 1.00 0.56 H new ATOM 0 HB3 ASN A 34 19.375 4.737 -0.709 1.00 0.56 H new ATOM 0 HD21 ASN A 34 19.363 6.375 -4.490 1.00 2.11 H new ATOM 0 HD22 ASN A 34 18.530 7.152 -3.140 1.00 2.11 H new ATOM 510 N ILE A 35 18.295 2.596 -1.487 1.00 0.54 N ATOM 511 CA ILE A 35 18.239 1.158 -1.555 1.00 0.54 C ATOM 512 C ILE A 35 19.419 0.518 -0.854 1.00 0.56 C ATOM 513 O ILE A 35 19.909 -0.532 -1.263 1.00 0.63 O ATOM 514 CB ILE A 35 18.129 0.633 -2.994 1.00 0.60 C ATOM 515 CG1 ILE A 35 18.827 1.577 -3.974 1.00 0.70 C ATOM 516 CG2 ILE A 35 16.664 0.446 -3.367 1.00 0.66 C ATOM 517 CD1 ILE A 35 20.310 1.717 -3.722 1.00 1.05 C ATOM 0 H ILE A 35 19.229 2.996 -1.577 1.00 0.54 H new ATOM 0 HA ILE A 35 17.326 0.872 -1.033 1.00 0.54 H new ATOM 0 HB ILE A 35 18.630 -0.333 -3.053 1.00 0.60 H new ATOM 0 HG12 ILE A 35 18.672 1.213 -4.990 1.00 0.70 H new ATOM 0 HG13 ILE A 35 18.361 2.561 -3.913 1.00 0.70 H new ATOM 0 HG21 ILE A 35 16.593 0.073 -4.389 1.00 0.66 H new ATOM 0 HG22 ILE A 35 16.204 -0.271 -2.687 1.00 0.66 H new ATOM 0 HG23 ILE A 35 16.145 1.401 -3.292 1.00 0.66 H new ATOM 0 HD11 ILE A 35 20.740 2.401 -4.454 1.00 1.05 H new ATOM 0 HD12 ILE A 35 20.473 2.110 -2.718 1.00 1.05 H new ATOM 0 HD13 ILE A 35 20.788 0.742 -3.812 1.00 1.05 H new ATOM 529 N ASN A 36 19.868 1.163 0.207 1.00 0.59 N ATOM 530 CA ASN A 36 20.967 0.654 0.998 1.00 0.63 C ATOM 531 C ASN A 36 20.427 -0.399 1.929 1.00 0.59 C ATOM 532 O ASN A 36 20.817 -1.563 1.856 1.00 0.59 O ATOM 533 CB ASN A 36 21.630 1.779 1.784 1.00 0.70 C ATOM 534 CG ASN A 36 22.118 2.914 0.899 1.00 1.33 C ATOM 535 OD1 ASN A 36 22.118 4.074 1.309 1.00 2.15 O ATOM 536 ND2 ASN A 36 22.545 2.590 -0.318 1.00 1.89 N ATOM 0 H ASN A 36 19.483 2.047 0.541 1.00 0.59 H new ATOM 0 HA ASN A 36 21.725 0.220 0.346 1.00 0.63 H new ATOM 0 HB2 ASN A 36 20.921 2.173 2.512 1.00 0.70 H new ATOM 0 HB3 ASN A 36 22.473 1.375 2.345 1.00 0.70 H new ATOM 0 HD21 ASN A 36 22.888 3.315 -0.948 1.00 1.89 H new ATOM 0 HD22 ASN A 36 22.529 1.616 -0.622 1.00 1.89 H new ATOM 543 N GLU A 37 19.539 -0.003 2.825 1.00 0.57 N ATOM 544 CA GLU A 37 18.940 -0.991 3.687 1.00 0.56 C ATOM 545 C GLU A 37 17.890 -1.738 2.920 1.00 0.50 C ATOM 546 O GLU A 37 17.516 -2.831 3.302 1.00 0.52 O ATOM 547 CB GLU A 37 18.365 -0.422 4.950 1.00 0.66 C ATOM 548 CG GLU A 37 19.224 0.681 5.515 1.00 0.75 C ATOM 549 CD GLU A 37 19.194 0.742 7.033 1.00 0.76 C ATOM 550 OE1 GLU A 37 19.737 -0.181 7.674 1.00 1.29 O ATOM 551 OE2 GLU A 37 18.635 1.718 7.578 1.00 1.40 O ATOM 0 H GLU A 37 19.230 0.958 2.968 1.00 0.57 H new ATOM 0 HA GLU A 37 19.735 -1.665 4.005 1.00 0.56 H new ATOM 0 HB2 GLU A 37 17.365 -0.037 4.752 1.00 0.66 H new ATOM 0 HB3 GLU A 37 18.260 -1.215 5.690 1.00 0.66 H new ATOM 0 HG2 GLU A 37 20.252 0.538 5.183 1.00 0.75 H new ATOM 0 HG3 GLU A 37 18.889 1.637 5.112 1.00 0.75 H new ATOM 558 N PHE A 38 17.384 -1.158 1.823 1.00 0.46 N ATOM 559 CA PHE A 38 16.446 -1.883 0.994 1.00 0.42 C ATOM 560 C PHE A 38 17.089 -3.231 0.658 1.00 0.45 C ATOM 561 O PHE A 38 16.414 -4.238 0.454 1.00 0.45 O ATOM 562 CB PHE A 38 16.136 -1.085 -0.273 1.00 0.43 C ATOM 563 CG PHE A 38 15.005 -1.637 -1.091 1.00 0.41 C ATOM 564 CD1 PHE A 38 15.087 -2.900 -1.649 1.00 1.30 C ATOM 565 CD2 PHE A 38 13.860 -0.889 -1.300 1.00 1.21 C ATOM 566 CE1 PHE A 38 14.045 -3.410 -2.401 1.00 1.32 C ATOM 567 CE2 PHE A 38 12.814 -1.391 -2.051 1.00 1.21 C ATOM 568 CZ PHE A 38 12.906 -2.654 -2.601 1.00 0.45 C ATOM 0 H PHE A 38 17.608 -0.215 1.505 1.00 0.46 H new ATOM 0 HA PHE A 38 15.500 -2.039 1.513 1.00 0.42 H new ATOM 0 HB2 PHE A 38 15.899 -0.059 0.007 1.00 0.43 H new ATOM 0 HB3 PHE A 38 17.032 -1.047 -0.893 1.00 0.43 H new ATOM 0 HD1 PHE A 38 15.975 -3.495 -1.495 1.00 1.30 H new ATOM 0 HD2 PHE A 38 13.783 0.099 -0.871 1.00 1.21 H new ATOM 0 HE1 PHE A 38 14.121 -4.398 -2.831 1.00 1.32 H new ATOM 0 HE2 PHE A 38 11.926 -0.796 -2.207 1.00 1.21 H new ATOM 0 HZ PHE A 38 12.089 -3.050 -3.186 1.00 0.45 H new ATOM 578 N LYS A 39 18.434 -3.222 0.663 1.00 0.49 N ATOM 579 CA LYS A 39 19.219 -4.411 0.422 1.00 0.53 C ATOM 580 C LYS A 39 18.961 -5.471 1.477 1.00 0.53 C ATOM 581 O LYS A 39 19.351 -6.631 1.334 1.00 0.56 O ATOM 582 CB LYS A 39 20.687 -4.043 0.325 1.00 0.61 C ATOM 583 CG LYS A 39 20.909 -2.937 -0.676 1.00 0.67 C ATOM 584 CD LYS A 39 21.880 -3.353 -1.765 1.00 0.71 C ATOM 585 CE LYS A 39 22.394 -2.151 -2.537 1.00 1.47 C ATOM 586 NZ LYS A 39 23.250 -2.555 -3.687 1.00 1.80 N ATOM 0 H LYS A 39 18.991 -2.385 0.835 1.00 0.49 H new ATOM 0 HA LYS A 39 18.915 -4.848 -0.529 1.00 0.53 H new ATOM 0 HB2 LYS A 39 21.051 -3.730 1.303 1.00 0.61 H new ATOM 0 HB3 LYS A 39 21.266 -4.920 0.036 1.00 0.61 H new ATOM 0 HG2 LYS A 39 19.956 -2.656 -1.125 1.00 0.67 H new ATOM 0 HG3 LYS A 39 21.292 -2.054 -0.164 1.00 0.67 H new ATOM 0 HD2 LYS A 39 22.719 -3.888 -1.321 1.00 0.71 H new ATOM 0 HD3 LYS A 39 21.387 -4.044 -2.450 1.00 0.71 H new ATOM 0 HE2 LYS A 39 21.550 -1.565 -2.901 1.00 1.47 H new ATOM 0 HE3 LYS A 39 22.965 -1.507 -1.868 1.00 1.47 H new ATOM 0 HZ1 LYS A 39 23.400 -1.738 -4.312 1.00 1.80 H new ATOM 0 HZ2 LYS A 39 24.168 -2.894 -3.334 1.00 1.80 H new ATOM 0 HZ3 LYS A 39 22.781 -3.316 -4.218 1.00 1.80 H new ATOM 600 N GLU A 40 18.343 -5.043 2.546 1.00 0.52 N ATOM 601 CA GLU A 40 17.930 -5.927 3.613 1.00 0.56 C ATOM 602 C GLU A 40 16.558 -6.538 3.261 1.00 0.54 C ATOM 603 O GLU A 40 16.039 -7.380 3.994 1.00 0.60 O ATOM 604 CB GLU A 40 17.919 -5.181 4.972 1.00 0.60 C ATOM 605 CG GLU A 40 16.584 -4.563 5.393 1.00 1.09 C ATOM 606 CD GLU A 40 16.509 -4.321 6.887 1.00 1.91 C ATOM 607 OE1 GLU A 40 16.067 -5.231 7.617 1.00 2.62 O ATOM 608 OE2 GLU A 40 16.894 -3.216 7.326 1.00 2.43 O ATOM 0 H GLU A 40 18.108 -4.063 2.706 1.00 0.52 H new ATOM 0 HA GLU A 40 18.645 -6.743 3.718 1.00 0.56 H new ATOM 0 HB2 GLU A 40 18.233 -5.879 5.748 1.00 0.60 H new ATOM 0 HB3 GLU A 40 18.666 -4.389 4.934 1.00 0.60 H new ATOM 0 HG2 GLU A 40 16.441 -3.619 4.867 1.00 1.09 H new ATOM 0 HG3 GLU A 40 15.770 -5.222 5.093 1.00 1.09 H new ATOM 615 N LEU A 41 15.974 -6.099 2.121 1.00 0.49 N ATOM 616 CA LEU A 41 14.667 -6.592 1.673 1.00 0.50 C ATOM 617 C LEU A 41 14.771 -7.953 0.987 1.00 0.55 C ATOM 618 O LEU A 41 14.738 -8.977 1.656 1.00 0.62 O ATOM 619 CB LEU A 41 13.993 -5.602 0.709 1.00 0.46 C ATOM 620 CG LEU A 41 13.622 -4.235 1.269 1.00 0.44 C ATOM 621 CD1 LEU A 41 12.483 -3.639 0.454 1.00 0.55 C ATOM 622 CD2 LEU A 41 13.243 -4.318 2.744 1.00 0.66 C ATOM 0 H LEU A 41 16.393 -5.406 1.502 1.00 0.49 H new ATOM 0 HA LEU A 41 14.060 -6.696 2.572 1.00 0.50 H new ATOM 0 HB2 LEU A 41 14.658 -5.451 -0.141 1.00 0.46 H new ATOM 0 HB3 LEU A 41 13.086 -6.068 0.324 1.00 0.46 H new ATOM 0 HG LEU A 41 14.495 -3.586 1.195 1.00 0.44 H new ATOM 0 HD11 LEU A 41 12.220 -2.661 0.857 1.00 0.55 H new ATOM 0 HD12 LEU A 41 12.796 -3.531 -0.584 1.00 0.55 H new ATOM 0 HD13 LEU A 41 11.616 -4.298 0.505 1.00 0.55 H new ATOM 0 HD21 LEU A 41 12.984 -3.324 3.110 1.00 0.66 H new ATOM 0 HD22 LEU A 41 12.387 -4.983 2.863 1.00 0.66 H new ATOM 0 HD23 LEU A 41 14.086 -4.707 3.315 1.00 0.66 H new ATOM 634 N ALA A 42 14.913 -7.960 -0.354 1.00 0.55 N ATOM 635 CA ALA A 42 15.000 -9.181 -1.133 1.00 0.61 C ATOM 636 C ALA A 42 15.775 -10.265 -0.403 1.00 0.67 C ATOM 637 O ALA A 42 15.407 -11.429 -0.420 1.00 0.74 O ATOM 638 CB ALA A 42 15.651 -8.875 -2.447 1.00 0.65 C ATOM 0 H ALA A 42 14.969 -7.110 -0.915 1.00 0.55 H new ATOM 0 HA ALA A 42 13.991 -9.560 -1.293 1.00 0.61 H new ATOM 0 HB1 ALA A 42 15.721 -9.787 -3.040 1.00 0.65 H new ATOM 0 HB2 ALA A 42 15.056 -8.137 -2.985 1.00 0.65 H new ATOM 0 HB3 ALA A 42 16.651 -8.478 -2.274 1.00 0.65 H new ATOM 644 N THR A 43 16.819 -9.852 0.283 1.00 0.66 N ATOM 645 CA THR A 43 17.662 -10.760 1.011 1.00 0.73 C ATOM 646 C THR A 43 16.851 -11.620 1.985 1.00 0.78 C ATOM 647 O THR A 43 16.837 -12.843 1.874 1.00 0.86 O ATOM 648 CB THR A 43 18.740 -9.948 1.740 1.00 0.72 C ATOM 649 OG1 THR A 43 18.176 -8.723 2.246 1.00 0.66 O ATOM 650 CG2 THR A 43 19.886 -9.624 0.795 1.00 0.75 C ATOM 0 H THR A 43 17.103 -8.874 0.348 1.00 0.66 H new ATOM 0 HA THR A 43 18.138 -11.451 0.315 1.00 0.73 H new ATOM 0 HB THR A 43 19.119 -10.543 2.571 1.00 0.72 H new ATOM 0 HG1 THR A 43 18.629 -7.959 1.832 1.00 0.66 H new ATOM 0 HG21 THR A 43 20.644 -9.048 1.326 1.00 0.75 H new ATOM 0 HG22 THR A 43 20.327 -10.550 0.427 1.00 0.75 H new ATOM 0 HG23 THR A 43 19.510 -9.042 -0.046 1.00 0.75 H new ATOM 658 N GLN A 44 16.199 -10.984 2.951 1.00 0.77 N ATOM 659 CA GLN A 44 15.358 -11.688 3.903 1.00 0.85 C ATOM 660 C GLN A 44 14.012 -11.976 3.267 1.00 0.85 C ATOM 661 O GLN A 44 13.357 -12.972 3.574 1.00 0.94 O ATOM 662 CB GLN A 44 15.185 -10.852 5.170 1.00 0.88 C ATOM 663 CG GLN A 44 16.499 -10.366 5.758 1.00 1.54 C ATOM 664 CD GLN A 44 16.302 -9.471 6.966 1.00 2.05 C ATOM 665 OE1 GLN A 44 15.331 -9.615 7.709 1.00 2.54 O ATOM 666 NE2 GLN A 44 17.224 -8.536 7.165 1.00 2.75 N ATOM 0 H GLN A 44 16.239 -9.975 3.093 1.00 0.77 H new ATOM 0 HA GLN A 44 15.830 -12.631 4.178 1.00 0.85 H new ATOM 0 HB2 GLN A 44 14.556 -9.991 4.945 1.00 0.88 H new ATOM 0 HB3 GLN A 44 14.658 -11.445 5.918 1.00 0.88 H new ATOM 0 HG2 GLN A 44 17.105 -11.226 6.043 1.00 1.54 H new ATOM 0 HG3 GLN A 44 17.055 -9.822 4.995 1.00 1.54 H new ATOM 0 HE21 GLN A 44 18.013 -8.453 6.523 1.00 2.75 H new ATOM 0 HE22 GLN A 44 17.143 -7.901 7.959 1.00 2.75 H new ATOM 675 N GLN A 45 13.612 -11.084 2.375 1.00 0.78 N ATOM 676 CA GLN A 45 12.371 -11.224 1.646 1.00 0.83 C ATOM 677 C GLN A 45 12.391 -12.539 0.907 1.00 0.79 C ATOM 678 O GLN A 45 11.359 -13.185 0.725 1.00 0.80 O ATOM 679 CB GLN A 45 12.242 -10.094 0.644 1.00 0.93 C ATOM 680 CG GLN A 45 11.941 -8.748 1.255 1.00 0.97 C ATOM 681 CD GLN A 45 10.461 -8.510 1.335 1.00 1.36 C ATOM 682 OE1 GLN A 45 9.761 -9.160 2.106 1.00 2.34 O ATOM 683 NE2 GLN A 45 9.977 -7.587 0.516 1.00 1.43 N ATOM 0 H GLN A 45 14.141 -10.245 2.139 1.00 0.78 H new ATOM 0 HA GLN A 45 11.530 -11.193 2.338 1.00 0.83 H new ATOM 0 HB2 GLN A 45 13.169 -10.022 0.075 1.00 0.93 H new ATOM 0 HB3 GLN A 45 11.452 -10.342 -0.065 1.00 0.93 H new ATOM 0 HG2 GLN A 45 12.376 -8.693 2.253 1.00 0.97 H new ATOM 0 HG3 GLN A 45 12.407 -7.963 0.660 1.00 0.97 H new ATOM 0 HE21 GLN A 45 10.605 -7.076 -0.105 1.00 1.43 H new ATOM 0 HE22 GLN A 45 8.977 -7.388 0.506 1.00 1.43 H new ATOM 692 N LEU A 46 13.597 -12.928 0.472 1.00 0.78 N ATOM 693 CA LEU A 46 13.791 -14.179 -0.234 1.00 0.78 C ATOM 694 C LEU A 46 12.999 -15.267 0.457 1.00 0.74 C ATOM 695 O LEU A 46 11.944 -15.642 -0.035 1.00 0.75 O ATOM 696 CB LEU A 46 15.276 -14.559 -0.329 1.00 0.83 C ATOM 697 CG LEU A 46 16.012 -14.096 -1.594 1.00 1.04 C ATOM 698 CD1 LEU A 46 17.424 -14.656 -1.614 1.00 1.25 C ATOM 699 CD2 LEU A 46 15.253 -14.526 -2.842 1.00 1.30 C ATOM 0 H LEU A 46 14.450 -12.384 0.603 1.00 0.78 H new ATOM 0 HA LEU A 46 13.432 -14.059 -1.256 1.00 0.78 H new ATOM 0 HB2 LEU A 46 15.792 -14.147 0.538 1.00 0.83 H new ATOM 0 HB3 LEU A 46 15.357 -15.644 -0.262 1.00 0.83 H new ATOM 0 HG LEU A 46 16.067 -13.007 -1.584 1.00 1.04 H new ATOM 0 HD11 LEU A 46 17.936 -14.321 -2.516 1.00 1.25 H new ATOM 0 HD12 LEU A 46 17.967 -14.305 -0.737 1.00 1.25 H new ATOM 0 HD13 LEU A 46 17.384 -15.745 -1.604 1.00 1.25 H new ATOM 0 HD21 LEU A 46 15.790 -14.189 -3.729 1.00 1.30 H new ATOM 0 HD22 LEU A 46 15.169 -15.613 -2.860 1.00 1.30 H new ATOM 0 HD23 LEU A 46 14.256 -14.085 -2.832 1.00 1.30 H new ATOM 711 N PRO A 47 13.432 -15.771 1.629 1.00 0.78 N ATOM 712 CA PRO A 47 12.641 -16.798 2.263 1.00 0.80 C ATOM 713 C PRO A 47 11.433 -16.250 3.006 1.00 0.77 C ATOM 714 O PRO A 47 11.498 -15.884 4.180 1.00 0.81 O ATOM 715 CB PRO A 47 13.621 -17.395 3.272 1.00 0.90 C ATOM 716 CG PRO A 47 14.578 -16.295 3.586 1.00 0.95 C ATOM 717 CD PRO A 47 14.670 -15.452 2.347 1.00 0.90 C ATOM 0 HA PRO A 47 12.235 -17.499 1.533 1.00 0.80 H new ATOM 0 HB2 PRO A 47 13.104 -17.735 4.169 1.00 0.90 H new ATOM 0 HB3 PRO A 47 14.138 -18.259 2.855 1.00 0.90 H new ATOM 0 HG2 PRO A 47 14.228 -15.705 4.433 1.00 0.95 H new ATOM 0 HG3 PRO A 47 15.555 -16.695 3.858 1.00 0.95 H new ATOM 0 HD2 PRO A 47 14.734 -14.391 2.587 1.00 0.90 H new ATOM 0 HD3 PRO A 47 15.552 -15.699 1.757 1.00 0.90 H new ATOM 725 N HIS A 48 10.337 -16.201 2.270 1.00 0.73 N ATOM 726 CA HIS A 48 9.021 -15.875 2.793 1.00 0.74 C ATOM 727 C HIS A 48 8.325 -17.203 3.047 1.00 0.83 C ATOM 728 O HIS A 48 8.906 -18.253 2.773 1.00 0.91 O ATOM 729 CB HIS A 48 8.194 -15.044 1.790 1.00 0.73 C ATOM 730 CG HIS A 48 6.821 -14.738 2.278 1.00 0.98 C ATOM 731 ND1 HIS A 48 5.691 -15.319 1.750 1.00 1.87 N ATOM 732 CD2 HIS A 48 6.397 -13.920 3.264 1.00 1.34 C ATOM 733 CE1 HIS A 48 4.630 -14.871 2.391 1.00 2.04 C ATOM 734 NE2 HIS A 48 5.030 -14.019 3.317 1.00 1.61 N ATOM 0 H HIS A 48 10.337 -16.391 1.268 1.00 0.73 H new ATOM 0 HA HIS A 48 9.116 -15.275 3.698 1.00 0.74 H new ATOM 0 HB2 HIS A 48 8.716 -14.110 1.583 1.00 0.73 H new ATOM 0 HB3 HIS A 48 8.126 -15.586 0.847 1.00 0.73 H new ATOM 0 HD1 HIS A 48 5.677 -15.991 0.983 1.00 1.87 H new ATOM 0 HD2 HIS A 48 7.019 -13.302 3.895 1.00 1.34 H new ATOM 0 HE1 HIS A 48 3.607 -15.153 2.192 1.00 2.04 H new ATOM 743 N LEU A 49 7.110 -17.195 3.562 1.00 0.88 N ATOM 744 CA LEU A 49 6.385 -18.442 3.663 1.00 1.00 C ATOM 745 C LEU A 49 6.070 -18.873 2.225 1.00 0.98 C ATOM 746 O LEU A 49 6.713 -19.771 1.681 1.00 1.02 O ATOM 747 CB LEU A 49 5.108 -18.277 4.487 1.00 1.10 C ATOM 748 CG LEU A 49 5.333 -17.944 5.962 1.00 1.62 C ATOM 749 CD1 LEU A 49 4.022 -18.004 6.729 1.00 2.02 C ATOM 750 CD2 LEU A 49 6.356 -18.892 6.569 1.00 2.44 C ATOM 0 H LEU A 49 6.620 -16.369 3.905 1.00 0.88 H new ATOM 0 HA LEU A 49 6.977 -19.199 4.177 1.00 1.00 H new ATOM 0 HB2 LEU A 49 4.503 -17.488 4.039 1.00 1.10 H new ATOM 0 HB3 LEU A 49 4.529 -19.198 4.422 1.00 1.10 H new ATOM 0 HG LEU A 49 5.722 -16.928 6.033 1.00 1.62 H new ATOM 0 HD11 LEU A 49 4.202 -17.764 7.777 1.00 2.02 H new ATOM 0 HD12 LEU A 49 3.321 -17.284 6.307 1.00 2.02 H new ATOM 0 HD13 LEU A 49 3.602 -19.007 6.653 1.00 2.02 H new ATOM 0 HD21 LEU A 49 6.505 -18.642 7.619 1.00 2.44 H new ATOM 0 HD22 LEU A 49 5.995 -19.917 6.488 1.00 2.44 H new ATOM 0 HD23 LEU A 49 7.302 -18.797 6.035 1.00 2.44 H new ATOM 762 N LEU A 50 5.073 -18.221 1.616 1.00 0.98 N ATOM 763 CA LEU A 50 4.706 -18.476 0.218 1.00 1.01 C ATOM 764 C LEU A 50 5.579 -17.634 -0.729 1.00 0.92 C ATOM 765 O LEU A 50 5.071 -16.970 -1.631 1.00 1.01 O ATOM 766 CB LEU A 50 3.226 -18.157 -0.013 1.00 1.11 C ATOM 767 CG LEU A 50 2.683 -18.544 -1.391 1.00 1.60 C ATOM 768 CD1 LEU A 50 2.819 -20.043 -1.614 1.00 1.97 C ATOM 769 CD2 LEU A 50 1.231 -18.113 -1.531 1.00 2.25 C ATOM 0 H LEU A 50 4.503 -17.509 2.072 1.00 0.98 H new ATOM 0 HA LEU A 50 4.875 -19.532 0.006 1.00 1.01 H new ATOM 0 HB2 LEU A 50 2.637 -18.669 0.748 1.00 1.11 H new ATOM 0 HB3 LEU A 50 3.074 -17.087 0.132 1.00 1.11 H new ATOM 0 HG LEU A 50 3.270 -18.028 -2.151 1.00 1.60 H new ATOM 0 HD11 LEU A 50 2.428 -20.301 -2.598 1.00 1.97 H new ATOM 0 HD12 LEU A 50 3.870 -20.326 -1.555 1.00 1.97 H new ATOM 0 HD13 LEU A 50 2.256 -20.577 -0.849 1.00 1.97 H new ATOM 0 HD21 LEU A 50 0.861 -18.396 -2.516 1.00 2.25 H new ATOM 0 HD22 LEU A 50 0.631 -18.602 -0.764 1.00 2.25 H new ATOM 0 HD23 LEU A 50 1.159 -17.032 -1.413 1.00 2.25 H new ATOM 781 N LYS A 51 6.889 -17.667 -0.513 1.00 0.85 N ATOM 782 CA LYS A 51 7.843 -16.893 -1.306 1.00 0.81 C ATOM 783 C LYS A 51 7.515 -16.854 -2.789 1.00 0.88 C ATOM 784 O LYS A 51 6.885 -17.754 -3.343 1.00 1.03 O ATOM 785 CB LYS A 51 9.253 -17.464 -1.108 1.00 0.97 C ATOM 786 CG LYS A 51 10.321 -16.850 -2.015 1.00 1.23 C ATOM 787 CD LYS A 51 11.579 -17.715 -2.095 1.00 2.11 C ATOM 788 CE LYS A 51 12.079 -18.169 -0.729 1.00 2.68 C ATOM 789 NZ LYS A 51 12.449 -19.611 -0.725 1.00 3.58 N ATOM 0 H LYS A 51 7.322 -18.231 0.218 1.00 0.85 H new ATOM 0 HA LYS A 51 7.783 -15.865 -0.948 1.00 0.81 H new ATOM 0 HB2 LYS A 51 9.548 -17.316 -0.069 1.00 0.97 H new ATOM 0 HB3 LYS A 51 9.223 -18.540 -1.281 1.00 0.97 H new ATOM 0 HG2 LYS A 51 9.911 -16.715 -3.016 1.00 1.23 H new ATOM 0 HG3 LYS A 51 10.586 -15.860 -1.643 1.00 1.23 H new ATOM 0 HD2 LYS A 51 11.372 -18.591 -2.709 1.00 2.11 H new ATOM 0 HD3 LYS A 51 12.368 -17.154 -2.596 1.00 2.11 H new ATOM 0 HE2 LYS A 51 12.944 -17.571 -0.442 1.00 2.68 H new ATOM 0 HE3 LYS A 51 11.306 -17.990 0.018 1.00 2.68 H new ATOM 0 HZ1 LYS A 51 12.784 -19.881 0.222 1.00 3.58 H new ATOM 0 HZ2 LYS A 51 11.617 -20.184 -0.974 1.00 3.58 H new ATOM 0 HZ3 LYS A 51 13.205 -19.777 -1.420 1.00 3.58 H new ATOM 803 N ASP A 52 7.961 -15.768 -3.408 1.00 0.92 N ATOM 804 CA ASP A 52 7.802 -15.550 -4.836 1.00 1.17 C ATOM 805 C ASP A 52 9.121 -15.871 -5.531 1.00 1.23 C ATOM 806 O ASP A 52 9.135 -16.427 -6.624 1.00 1.47 O ATOM 807 CB ASP A 52 7.396 -14.102 -5.123 1.00 1.29 C ATOM 808 CG ASP A 52 6.016 -13.770 -4.593 1.00 1.87 C ATOM 809 OD1 ASP A 52 5.031 -13.969 -5.335 1.00 2.35 O ATOM 810 OD2 ASP A 52 5.919 -13.308 -3.437 1.00 2.61 O ATOM 0 H ASP A 52 8.446 -15.010 -2.928 1.00 0.92 H new ATOM 0 HA ASP A 52 7.013 -16.201 -5.213 1.00 1.17 H new ATOM 0 HB2 ASP A 52 8.126 -13.428 -4.674 1.00 1.29 H new ATOM 0 HB3 ASP A 52 7.420 -13.928 -6.199 1.00 1.29 H new ATOM 815 N VAL A 53 10.221 -15.523 -4.851 1.00 1.13 N ATOM 816 CA VAL A 53 11.584 -15.760 -5.332 1.00 1.26 C ATOM 817 C VAL A 53 12.134 -14.573 -6.124 1.00 1.24 C ATOM 818 O VAL A 53 11.890 -14.405 -7.317 1.00 1.48 O ATOM 819 CB VAL A 53 11.714 -17.102 -6.108 1.00 1.57 C ATOM 820 CG1 VAL A 53 11.537 -16.970 -7.622 1.00 2.17 C ATOM 821 CG2 VAL A 53 13.049 -17.762 -5.793 1.00 1.91 C ATOM 0 H VAL A 53 10.187 -15.064 -3.941 1.00 1.13 H new ATOM 0 HA VAL A 53 12.211 -15.857 -4.446 1.00 1.26 H new ATOM 0 HB VAL A 53 10.891 -17.728 -5.763 1.00 1.57 H new ATOM 0 HG11 VAL A 53 11.642 -17.950 -8.087 1.00 2.17 H new ATOM 0 HG12 VAL A 53 10.547 -16.570 -7.839 1.00 2.17 H new ATOM 0 HG13 VAL A 53 12.296 -16.296 -8.020 1.00 2.17 H new ATOM 0 HG21 VAL A 53 13.129 -18.701 -6.341 1.00 1.91 H new ATOM 0 HG22 VAL A 53 13.862 -17.098 -6.088 1.00 1.91 H new ATOM 0 HG23 VAL A 53 13.113 -17.960 -4.723 1.00 1.91 H new ATOM 831 N GLY A 54 12.865 -13.727 -5.417 1.00 1.06 N ATOM 832 CA GLY A 54 13.463 -12.569 -6.040 1.00 1.11 C ATOM 833 C GLY A 54 14.707 -12.924 -6.819 1.00 1.14 C ATOM 834 O GLY A 54 15.613 -13.572 -6.295 1.00 1.24 O ATOM 0 H GLY A 54 13.055 -13.823 -4.419 1.00 1.06 H new ATOM 0 HA2 GLY A 54 12.739 -12.102 -6.707 1.00 1.11 H new ATOM 0 HA3 GLY A 54 13.712 -11.834 -5.275 1.00 1.11 H new ATOM 838 N SER A 55 14.751 -12.500 -8.073 1.00 1.18 N ATOM 839 CA SER A 55 15.894 -12.778 -8.928 1.00 1.25 C ATOM 840 C SER A 55 17.050 -11.841 -8.594 1.00 1.11 C ATOM 841 O SER A 55 16.893 -10.620 -8.602 1.00 1.10 O ATOM 842 CB SER A 55 15.497 -12.634 -10.395 1.00 1.41 C ATOM 843 OG SER A 55 16.449 -13.250 -11.244 1.00 1.61 O ATOM 0 H SER A 55 14.009 -11.962 -8.521 1.00 1.18 H new ATOM 0 HA SER A 55 16.222 -13.803 -8.753 1.00 1.25 H new ATOM 0 HB2 SER A 55 14.517 -13.084 -10.556 1.00 1.41 H new ATOM 0 HB3 SER A 55 15.408 -11.578 -10.649 1.00 1.41 H new ATOM 0 HG SER A 55 17.166 -12.614 -11.447 1.00 1.61 H new ATOM 849 N LEU A 56 18.215 -12.426 -8.316 1.00 1.15 N ATOM 850 CA LEU A 56 19.411 -11.660 -7.952 1.00 1.10 C ATOM 851 C LEU A 56 19.549 -10.376 -8.767 1.00 0.98 C ATOM 852 O LEU A 56 19.848 -9.318 -8.213 1.00 0.97 O ATOM 853 CB LEU A 56 20.659 -12.528 -8.125 1.00 1.28 C ATOM 854 CG LEU A 56 20.891 -13.064 -9.539 1.00 2.03 C ATOM 855 CD1 LEU A 56 21.856 -12.167 -10.299 1.00 2.61 C ATOM 856 CD2 LEU A 56 21.416 -14.491 -9.488 1.00 2.83 C ATOM 0 H LEU A 56 18.358 -13.436 -8.336 1.00 1.15 H new ATOM 0 HA LEU A 56 19.306 -11.369 -6.907 1.00 1.10 H new ATOM 0 HB2 LEU A 56 21.531 -11.945 -7.827 1.00 1.28 H new ATOM 0 HB3 LEU A 56 20.591 -13.373 -7.440 1.00 1.28 H new ATOM 0 HG LEU A 56 19.937 -13.066 -10.067 1.00 2.03 H new ATOM 0 HD11 LEU A 56 22.009 -12.564 -11.302 1.00 2.61 H new ATOM 0 HD12 LEU A 56 21.442 -11.161 -10.366 1.00 2.61 H new ATOM 0 HD13 LEU A 56 22.810 -12.132 -9.774 1.00 2.61 H new ATOM 0 HD21 LEU A 56 21.575 -14.857 -10.502 1.00 2.83 H new ATOM 0 HD22 LEU A 56 22.359 -14.512 -8.942 1.00 2.83 H new ATOM 0 HD23 LEU A 56 20.690 -15.128 -8.983 1.00 2.83 H new ATOM 868 N ASP A 57 19.341 -10.459 -10.075 1.00 1.00 N ATOM 869 CA ASP A 57 19.446 -9.275 -10.920 1.00 1.01 C ATOM 870 C ASP A 57 18.354 -8.281 -10.591 1.00 0.95 C ATOM 871 O ASP A 57 18.616 -7.096 -10.399 1.00 0.96 O ATOM 872 CB ASP A 57 19.344 -9.619 -12.395 1.00 1.15 C ATOM 873 CG ASP A 57 18.323 -10.704 -12.680 1.00 1.69 C ATOM 874 OD1 ASP A 57 18.699 -11.895 -12.652 1.00 2.20 O ATOM 875 OD2 ASP A 57 17.149 -10.361 -12.932 1.00 2.48 O ATOM 0 H ASP A 57 19.102 -11.319 -10.568 1.00 1.00 H new ATOM 0 HA ASP A 57 20.426 -8.841 -10.721 1.00 1.01 H new ATOM 0 HB2 ASP A 57 19.079 -8.722 -12.954 1.00 1.15 H new ATOM 0 HB3 ASP A 57 20.320 -9.942 -12.756 1.00 1.15 H new ATOM 880 N GLU A 58 17.119 -8.774 -10.538 1.00 0.94 N ATOM 881 CA GLU A 58 15.964 -7.939 -10.229 1.00 0.95 C ATOM 882 C GLU A 58 16.272 -7.095 -9.013 1.00 0.87 C ATOM 883 O GLU A 58 15.903 -5.924 -8.929 1.00 0.90 O ATOM 884 CB GLU A 58 14.732 -8.807 -9.961 1.00 0.98 C ATOM 885 CG GLU A 58 14.130 -9.418 -11.216 1.00 1.43 C ATOM 886 CD GLU A 58 12.897 -10.250 -10.922 1.00 1.80 C ATOM 887 OE1 GLU A 58 11.800 -9.664 -10.804 1.00 2.29 O ATOM 888 OE2 GLU A 58 13.028 -11.487 -10.811 1.00 2.42 O ATOM 0 H GLU A 58 16.893 -9.754 -10.706 1.00 0.94 H new ATOM 0 HA GLU A 58 15.752 -7.293 -11.081 1.00 0.95 H new ATOM 0 HB2 GLU A 58 15.005 -9.607 -9.273 1.00 0.98 H new ATOM 0 HB3 GLU A 58 13.974 -8.203 -9.462 1.00 0.98 H new ATOM 0 HG2 GLU A 58 13.870 -8.623 -11.915 1.00 1.43 H new ATOM 0 HG3 GLU A 58 14.877 -10.042 -11.707 1.00 1.43 H new ATOM 895 N LYS A 59 16.985 -7.715 -8.089 1.00 0.81 N ATOM 896 CA LYS A 59 17.380 -7.065 -6.864 1.00 0.76 C ATOM 897 C LYS A 59 18.341 -5.923 -7.137 1.00 0.80 C ATOM 898 O LYS A 59 18.358 -4.933 -6.412 1.00 0.79 O ATOM 899 CB LYS A 59 18.002 -8.089 -5.917 1.00 0.75 C ATOM 900 CG LYS A 59 16.973 -9.035 -5.322 1.00 0.75 C ATOM 901 CD LYS A 59 17.339 -10.493 -5.528 1.00 1.14 C ATOM 902 CE LYS A 59 18.504 -10.916 -4.650 1.00 1.95 C ATOM 903 NZ LYS A 59 18.698 -12.394 -4.663 1.00 2.67 N ATOM 0 H LYS A 59 17.303 -8.681 -8.172 1.00 0.81 H new ATOM 0 HA LYS A 59 16.495 -6.639 -6.391 1.00 0.76 H new ATOM 0 HB2 LYS A 59 18.753 -8.667 -6.455 1.00 0.75 H new ATOM 0 HB3 LYS A 59 18.519 -7.567 -5.112 1.00 0.75 H new ATOM 0 HG2 LYS A 59 16.874 -8.835 -4.255 1.00 0.75 H new ATOM 0 HG3 LYS A 59 16.000 -8.840 -5.774 1.00 0.75 H new ATOM 0 HD2 LYS A 59 16.474 -11.119 -5.309 1.00 1.14 H new ATOM 0 HD3 LYS A 59 17.595 -10.658 -6.575 1.00 1.14 H new ATOM 0 HE2 LYS A 59 19.415 -10.427 -4.994 1.00 1.95 H new ATOM 0 HE3 LYS A 59 18.329 -10.581 -3.628 1.00 1.95 H new ATOM 0 HZ1 LYS A 59 18.799 -12.739 -3.687 1.00 2.67 H new ATOM 0 HZ2 LYS A 59 17.875 -12.848 -5.107 1.00 2.67 H new ATOM 0 HZ3 LYS A 59 19.556 -12.627 -5.203 1.00 2.67 H new ATOM 917 N MET A 60 19.141 -6.071 -8.178 1.00 0.86 N ATOM 918 CA MET A 60 20.098 -5.052 -8.550 1.00 0.92 C ATOM 919 C MET A 60 19.442 -3.943 -9.379 1.00 0.96 C ATOM 920 O MET A 60 19.858 -2.786 -9.329 1.00 1.01 O ATOM 921 CB MET A 60 21.254 -5.679 -9.333 1.00 1.00 C ATOM 922 CG MET A 60 22.053 -6.689 -8.526 1.00 1.00 C ATOM 923 SD MET A 60 22.966 -5.930 -7.170 1.00 1.73 S ATOM 924 CE MET A 60 24.067 -4.842 -8.071 1.00 2.31 C ATOM 0 H MET A 60 19.144 -6.893 -8.782 1.00 0.86 H new ATOM 0 HA MET A 60 20.483 -4.603 -7.634 1.00 0.92 H new ATOM 0 HB2 MET A 60 20.857 -6.168 -10.222 1.00 1.00 H new ATOM 0 HB3 MET A 60 21.922 -4.889 -9.675 1.00 1.00 H new ATOM 0 HG2 MET A 60 21.377 -7.444 -8.125 1.00 1.00 H new ATOM 0 HG3 MET A 60 22.751 -7.204 -9.186 1.00 1.00 H new ATOM 0 HE1 MET A 60 24.932 -4.605 -7.451 1.00 2.31 H new ATOM 0 HE2 MET A 60 24.399 -5.336 -8.984 1.00 2.31 H new ATOM 0 HE3 MET A 60 23.541 -3.922 -8.327 1.00 2.31 H new ATOM 934 N LYS A 61 18.422 -4.312 -10.152 1.00 0.97 N ATOM 935 CA LYS A 61 17.708 -3.354 -11.004 1.00 1.02 C ATOM 936 C LYS A 61 16.685 -2.589 -10.194 1.00 0.96 C ATOM 937 O LYS A 61 16.784 -1.372 -10.036 1.00 0.92 O ATOM 938 CB LYS A 61 17.000 -4.042 -12.180 1.00 1.08 C ATOM 939 CG LYS A 61 17.443 -5.468 -12.439 1.00 1.55 C ATOM 940 CD LYS A 61 16.810 -6.028 -13.702 1.00 2.07 C ATOM 941 CE LYS A 61 15.293 -6.053 -13.599 1.00 2.59 C ATOM 942 NZ LYS A 61 14.661 -6.614 -14.826 1.00 3.16 N ATOM 0 H LYS A 61 18.069 -5.267 -10.208 1.00 0.97 H new ATOM 0 HA LYS A 61 18.456 -2.670 -11.406 1.00 1.02 H new ATOM 0 HB2 LYS A 61 15.926 -4.038 -11.993 1.00 1.08 H new ATOM 0 HB3 LYS A 61 17.168 -3.454 -13.082 1.00 1.08 H new ATOM 0 HG2 LYS A 61 18.529 -5.502 -12.529 1.00 1.55 H new ATOM 0 HG3 LYS A 61 17.174 -6.094 -11.588 1.00 1.55 H new ATOM 0 HD2 LYS A 61 17.108 -5.424 -14.559 1.00 2.07 H new ATOM 0 HD3 LYS A 61 17.181 -7.038 -13.880 1.00 2.07 H new ATOM 0 HE2 LYS A 61 14.998 -6.648 -12.735 1.00 2.59 H new ATOM 0 HE3 LYS A 61 14.924 -5.041 -13.431 1.00 2.59 H new ATOM 0 HZ1 LYS A 61 13.627 -6.613 -14.715 1.00 3.16 H new ATOM 0 HZ2 LYS A 61 14.921 -6.032 -15.648 1.00 3.16 H new ATOM 0 HZ3 LYS A 61 14.993 -7.589 -14.973 1.00 3.16 H new ATOM 956 N THR A 62 15.693 -3.312 -9.678 1.00 0.98 N ATOM 957 CA THR A 62 14.647 -2.703 -8.865 1.00 0.96 C ATOM 958 C THR A 62 15.269 -1.750 -7.856 1.00 0.86 C ATOM 959 O THR A 62 14.663 -0.759 -7.445 1.00 0.84 O ATOM 960 CB THR A 62 13.813 -3.772 -8.134 1.00 1.02 C ATOM 961 OG1 THR A 62 13.262 -4.696 -9.083 1.00 1.12 O ATOM 962 CG2 THR A 62 12.690 -3.132 -7.335 1.00 1.05 C ATOM 0 H THR A 62 15.593 -4.319 -9.809 1.00 0.98 H new ATOM 0 HA THR A 62 13.980 -2.150 -9.527 1.00 0.96 H new ATOM 0 HB THR A 62 14.469 -4.304 -7.445 1.00 1.02 H new ATOM 0 HG1 THR A 62 13.934 -5.373 -9.308 1.00 1.12 H new ATOM 0 HG21 THR A 62 12.116 -3.908 -6.828 1.00 1.05 H new ATOM 0 HG22 THR A 62 13.112 -2.451 -6.596 1.00 1.05 H new ATOM 0 HG23 THR A 62 12.036 -2.577 -8.007 1.00 1.05 H new ATOM 970 N LEU A 63 16.497 -2.078 -7.472 1.00 0.86 N ATOM 971 CA LEU A 63 17.279 -1.262 -6.565 1.00 0.84 C ATOM 972 C LEU A 63 17.304 0.173 -7.077 1.00 0.80 C ATOM 973 O LEU A 63 17.011 1.117 -6.346 1.00 0.89 O ATOM 974 CB LEU A 63 18.684 -1.850 -6.490 1.00 0.95 C ATOM 975 CG LEU A 63 19.696 -1.077 -5.663 1.00 0.92 C ATOM 976 CD1 LEU A 63 20.794 -2.006 -5.176 1.00 1.05 C ATOM 977 CD2 LEU A 63 20.302 0.071 -6.465 1.00 1.40 C ATOM 0 H LEU A 63 16.976 -2.922 -7.785 1.00 0.86 H new ATOM 0 HA LEU A 63 16.843 -1.254 -5.566 1.00 0.84 H new ATOM 0 HB2 LEU A 63 18.611 -2.859 -6.085 1.00 0.95 H new ATOM 0 HB3 LEU A 63 19.071 -1.942 -7.505 1.00 0.95 H new ATOM 0 HG LEU A 63 19.176 -0.654 -4.803 1.00 0.92 H new ATOM 0 HD11 LEU A 63 21.514 -1.440 -4.584 1.00 1.05 H new ATOM 0 HD12 LEU A 63 20.358 -2.794 -4.561 1.00 1.05 H new ATOM 0 HD13 LEU A 63 21.300 -2.452 -6.032 1.00 1.05 H new ATOM 0 HD21 LEU A 63 21.023 0.606 -5.847 1.00 1.40 H new ATOM 0 HD22 LEU A 63 20.805 -0.327 -7.347 1.00 1.40 H new ATOM 0 HD23 LEU A 63 19.512 0.755 -6.775 1.00 1.40 H new ATOM 989 N ASP A 64 17.647 0.320 -8.350 1.00 0.79 N ATOM 990 CA ASP A 64 17.682 1.628 -8.983 1.00 0.82 C ATOM 991 C ASP A 64 16.264 2.125 -9.243 1.00 0.82 C ATOM 992 O ASP A 64 16.026 3.327 -9.352 1.00 0.89 O ATOM 993 CB ASP A 64 18.459 1.564 -10.299 1.00 0.91 C ATOM 994 CG ASP A 64 19.958 1.641 -10.092 1.00 1.35 C ATOM 995 OD1 ASP A 64 20.586 0.581 -9.888 1.00 1.99 O ATOM 996 OD2 ASP A 64 20.504 2.763 -10.133 1.00 2.05 O ATOM 0 H ASP A 64 17.905 -0.453 -8.964 1.00 0.79 H new ATOM 0 HA ASP A 64 18.185 2.323 -8.311 1.00 0.82 H new ATOM 0 HB2 ASP A 64 18.214 0.637 -10.817 1.00 0.91 H new ATOM 0 HB3 ASP A 64 18.142 2.383 -10.945 1.00 0.91 H new ATOM 1001 N VAL A 65 15.324 1.184 -9.340 1.00 0.82 N ATOM 1002 CA VAL A 65 13.931 1.521 -9.583 1.00 0.87 C ATOM 1003 C VAL A 65 13.292 2.139 -8.341 1.00 0.77 C ATOM 1004 O VAL A 65 13.063 3.347 -8.290 1.00 0.82 O ATOM 1005 CB VAL A 65 13.119 0.283 -10.024 1.00 0.95 C ATOM 1006 CG1 VAL A 65 11.660 0.652 -10.253 1.00 1.06 C ATOM 1007 CG2 VAL A 65 13.721 -0.323 -11.283 1.00 1.07 C ATOM 0 H VAL A 65 15.507 0.184 -9.253 1.00 0.82 H new ATOM 0 HA VAL A 65 13.914 2.252 -10.391 1.00 0.87 H new ATOM 0 HB VAL A 65 13.162 -0.460 -9.227 1.00 0.95 H new ATOM 0 HG11 VAL A 65 11.105 -0.233 -10.563 1.00 1.06 H new ATOM 0 HG12 VAL A 65 11.234 1.042 -9.329 1.00 1.06 H new ATOM 0 HG13 VAL A 65 11.595 1.412 -11.032 1.00 1.06 H new ATOM 0 HG21 VAL A 65 13.138 -1.194 -11.582 1.00 1.07 H new ATOM 0 HG22 VAL A 65 13.707 0.415 -12.085 1.00 1.07 H new ATOM 0 HG23 VAL A 65 14.750 -0.625 -11.086 1.00 1.07 H new ATOM 1017 N ASN A 66 12.993 1.308 -7.348 1.00 0.72 N ATOM 1018 CA ASN A 66 12.378 1.791 -6.111 1.00 0.68 C ATOM 1019 C ASN A 66 13.411 2.347 -5.141 1.00 0.57 C ATOM 1020 O ASN A 66 13.394 2.014 -3.955 1.00 0.57 O ATOM 1021 CB ASN A 66 11.604 0.686 -5.402 1.00 0.82 C ATOM 1022 CG ASN A 66 11.028 -0.345 -6.356 1.00 0.81 C ATOM 1023 OD1 ASN A 66 10.702 -0.033 -7.502 1.00 1.51 O ATOM 1024 ND2 ASN A 66 10.899 -1.580 -5.886 1.00 1.10 N ATOM 0 H ASN A 66 13.164 0.303 -7.372 1.00 0.72 H new ATOM 0 HA ASN A 66 11.696 2.587 -6.408 1.00 0.68 H new ATOM 0 HB2 ASN A 66 12.264 0.187 -4.692 1.00 0.82 H new ATOM 0 HB3 ASN A 66 10.793 1.131 -4.825 1.00 0.82 H new ATOM 0 HD21 ASN A 66 10.517 -2.315 -6.481 1.00 1.10 H new ATOM 0 HD22 ASN A 66 11.182 -1.794 -4.930 1.00 1.10 H new ATOM 1031 N GLN A 67 14.300 3.195 -5.617 1.00 0.62 N ATOM 1032 CA GLN A 67 15.304 3.756 -4.738 1.00 0.68 C ATOM 1033 C GLN A 67 14.615 4.575 -3.664 1.00 0.61 C ATOM 1034 O GLN A 67 14.824 4.389 -2.473 1.00 0.66 O ATOM 1035 CB GLN A 67 16.309 4.611 -5.519 1.00 0.88 C ATOM 1036 CG GLN A 67 15.774 5.928 -6.029 1.00 0.74 C ATOM 1037 CD GLN A 67 14.703 5.769 -7.086 1.00 1.15 C ATOM 1038 OE1 GLN A 67 13.622 6.517 -6.926 1.00 1.97 O flip ATOM 1039 NE2 GLN A 67 14.834 4.969 -8.012 1.00 1.36 N flip ATOM 0 H GLN A 67 14.348 3.506 -6.587 1.00 0.62 H new ATOM 0 HA GLN A 67 15.866 2.946 -4.272 1.00 0.68 H new ATOM 0 HB2 GLN A 67 17.168 4.810 -4.878 1.00 0.88 H new ATOM 0 HB3 GLN A 67 16.672 4.032 -6.368 1.00 0.88 H new ATOM 0 HG2 GLN A 67 15.367 6.496 -5.192 1.00 0.74 H new ATOM 0 HG3 GLN A 67 16.597 6.512 -6.441 1.00 0.74 H new ATOM 0 HE21 GLN A 67 15.687 4.416 -8.091 1.00 1.36 H new ATOM 0 HE22 GLN A 67 14.089 4.859 -8.700 1.00 1.36 H new ATOM 1048 N ASP A 68 13.750 5.453 -4.109 1.00 0.59 N ATOM 1049 CA ASP A 68 13.013 6.329 -3.228 1.00 0.62 C ATOM 1050 C ASP A 68 11.731 5.679 -2.737 1.00 0.59 C ATOM 1051 O ASP A 68 10.815 6.380 -2.314 1.00 0.66 O ATOM 1052 CB ASP A 68 12.732 7.663 -3.911 1.00 0.74 C ATOM 1053 CG ASP A 68 13.998 8.454 -4.188 1.00 1.00 C ATOM 1054 OD1 ASP A 68 14.530 9.078 -3.246 1.00 1.62 O ATOM 1055 OD2 ASP A 68 14.456 8.450 -5.350 1.00 1.51 O ATOM 0 H ASP A 68 13.535 5.582 -5.098 1.00 0.59 H new ATOM 0 HA ASP A 68 13.632 6.519 -2.351 1.00 0.62 H new ATOM 0 HB2 ASP A 68 12.207 7.483 -4.849 1.00 0.74 H new ATOM 0 HB3 ASP A 68 12.067 8.256 -3.283 1.00 0.74 H new ATOM 1060 N SER A 69 11.691 4.331 -2.735 1.00 0.56 N ATOM 1061 CA SER A 69 10.515 3.568 -2.301 1.00 0.59 C ATOM 1062 C SER A 69 9.932 4.227 -1.075 1.00 0.63 C ATOM 1063 O SER A 69 8.723 4.229 -0.851 1.00 0.75 O ATOM 1064 CB SER A 69 10.902 2.117 -2.006 1.00 0.68 C ATOM 1065 OG SER A 69 11.980 2.054 -1.088 1.00 1.75 O ATOM 0 H SER A 69 12.472 3.748 -3.034 1.00 0.56 H new ATOM 0 HA SER A 69 9.768 3.558 -3.095 1.00 0.59 H new ATOM 0 HB2 SER A 69 10.043 1.583 -1.600 1.00 0.68 H new ATOM 0 HB3 SER A 69 11.180 1.616 -2.933 1.00 0.68 H new ATOM 0 HG SER A 69 12.004 1.167 -0.672 1.00 1.75 H new ATOM 1071 N GLU A 70 10.835 4.793 -0.296 1.00 0.64 N ATOM 1072 CA GLU A 70 10.472 5.561 0.868 1.00 0.76 C ATOM 1073 C GLU A 70 10.818 6.985 0.561 1.00 0.78 C ATOM 1074 O GLU A 70 11.730 7.253 -0.219 1.00 0.81 O ATOM 1075 CB GLU A 70 11.218 5.109 2.112 1.00 0.85 C ATOM 1076 CG GLU A 70 11.602 6.251 3.077 1.00 1.33 C ATOM 1077 CD GLU A 70 10.409 6.937 3.718 1.00 2.19 C ATOM 1078 OE1 GLU A 70 9.264 6.552 3.403 1.00 2.88 O ATOM 1079 OE2 GLU A 70 10.622 7.859 4.532 1.00 2.72 O ATOM 0 H GLU A 70 11.840 4.730 -0.457 1.00 0.64 H new ATOM 0 HA GLU A 70 9.411 5.430 1.079 1.00 0.76 H new ATOM 0 HB2 GLU A 70 10.601 4.388 2.649 1.00 0.85 H new ATOM 0 HB3 GLU A 70 12.125 4.587 1.807 1.00 0.85 H new ATOM 0 HG2 GLU A 70 12.244 5.851 3.862 1.00 1.33 H new ATOM 0 HG3 GLU A 70 12.187 6.993 2.533 1.00 1.33 H new ATOM 1086 N LEU A 71 10.107 7.894 1.159 1.00 0.79 N ATOM 1087 CA LEU A 71 10.378 9.253 0.913 1.00 0.83 C ATOM 1088 C LEU A 71 10.175 10.166 2.138 1.00 0.81 C ATOM 1089 O LEU A 71 9.393 9.876 3.027 1.00 0.86 O ATOM 1090 CB LEU A 71 9.470 9.579 -0.239 1.00 0.99 C ATOM 1091 CG LEU A 71 9.224 11.007 -0.509 1.00 0.79 C ATOM 1092 CD1 LEU A 71 8.340 11.680 0.533 1.00 1.89 C ATOM 1093 CD2 LEU A 71 10.545 11.667 -0.722 1.00 1.26 C ATOM 0 H LEU A 71 9.345 7.709 1.812 1.00 0.79 H new ATOM 0 HA LEU A 71 11.429 9.430 0.683 1.00 0.83 H new ATOM 0 HB2 LEU A 71 9.890 9.131 -1.140 1.00 0.99 H new ATOM 0 HB3 LEU A 71 8.509 9.097 -0.061 1.00 0.99 H new ATOM 0 HG LEU A 71 8.632 11.113 -1.418 1.00 0.79 H new ATOM 0 HD11 LEU A 71 8.202 12.729 0.270 1.00 1.89 H new ATOM 0 HD12 LEU A 71 7.371 11.183 0.564 1.00 1.89 H new ATOM 0 HD13 LEU A 71 8.814 11.611 1.512 1.00 1.89 H new ATOM 0 HD21 LEU A 71 10.394 12.727 -0.924 1.00 1.26 H new ATOM 0 HD22 LEU A 71 11.158 11.552 0.172 1.00 1.26 H new ATOM 0 HD23 LEU A 71 11.050 11.204 -1.570 1.00 1.26 H new ATOM 1105 N ARG A 72 10.968 11.223 2.219 1.00 0.77 N ATOM 1106 CA ARG A 72 10.811 12.239 3.246 1.00 0.79 C ATOM 1107 C ARG A 72 10.277 13.500 2.563 1.00 0.68 C ATOM 1108 O ARG A 72 9.458 14.225 3.119 1.00 0.75 O ATOM 1109 CB ARG A 72 12.141 12.539 3.943 1.00 0.91 C ATOM 1110 CG ARG A 72 13.083 11.355 4.003 1.00 1.00 C ATOM 1111 CD ARG A 72 12.415 10.125 4.586 1.00 1.06 C ATOM 1112 NE ARG A 72 11.568 10.431 5.742 1.00 1.30 N ATOM 1113 CZ ARG A 72 11.312 9.571 6.727 1.00 1.18 C ATOM 1114 NH1 ARG A 72 11.816 8.343 6.700 1.00 1.56 N ATOM 1115 NH2 ARG A 72 10.541 9.937 7.742 1.00 1.42 N ATOM 0 H ARG A 72 11.738 11.400 1.574 1.00 0.77 H new ATOM 0 HA ARG A 72 10.121 11.887 4.013 1.00 0.79 H new ATOM 0 HB2 ARG A 72 12.636 13.359 3.422 1.00 0.91 H new ATOM 0 HB3 ARG A 72 11.939 12.882 4.958 1.00 0.91 H new ATOM 0 HG2 ARG A 72 13.446 11.129 3.000 1.00 1.00 H new ATOM 0 HG3 ARG A 72 13.953 11.615 4.606 1.00 1.00 H new ATOM 0 HD2 ARG A 72 11.811 9.646 3.816 1.00 1.06 H new ATOM 0 HD3 ARG A 72 13.180 9.408 4.882 1.00 1.06 H new ATOM 0 HE ARG A 72 11.149 11.359 5.796 1.00 1.30 H new ATOM 0 HH11 ARG A 72 12.405 8.051 5.920 1.00 1.56 H new ATOM 0 HH12 ARG A 72 11.614 7.692 7.459 1.00 1.56 H new ATOM 0 HH21 ARG A 72 10.144 10.876 7.768 1.00 1.42 H new ATOM 0 HH22 ARG A 72 10.345 9.279 8.496 1.00 1.42 H new ATOM 1129 N PHE A 73 10.711 13.699 1.304 1.00 0.60 N ATOM 1130 CA PHE A 73 10.289 14.845 0.490 1.00 0.57 C ATOM 1131 C PHE A 73 9.083 14.513 -0.460 1.00 0.51 C ATOM 1132 O PHE A 73 7.972 14.409 0.030 1.00 0.63 O ATOM 1133 CB PHE A 73 11.511 15.506 -0.229 1.00 0.64 C ATOM 1134 CG PHE A 73 12.105 14.813 -1.444 1.00 0.58 C ATOM 1135 CD1 PHE A 73 12.563 13.507 -1.401 1.00 1.24 C ATOM 1136 CD2 PHE A 73 12.186 15.489 -2.652 1.00 1.36 C ATOM 1137 CE1 PHE A 73 13.078 12.887 -2.508 1.00 1.31 C ATOM 1138 CE2 PHE A 73 12.709 14.874 -3.775 1.00 1.44 C ATOM 1139 CZ PHE A 73 13.157 13.571 -3.704 1.00 0.86 C ATOM 0 H PHE A 73 11.360 13.072 0.829 1.00 0.60 H new ATOM 0 HA PHE A 73 9.890 15.601 1.166 1.00 0.57 H new ATOM 0 HB2 PHE A 73 11.212 16.509 -0.534 1.00 0.64 H new ATOM 0 HB3 PHE A 73 12.306 15.620 0.508 1.00 0.64 H new ATOM 0 HD1 PHE A 73 12.513 12.963 -0.469 1.00 1.24 H new ATOM 0 HD2 PHE A 73 11.836 16.509 -2.717 1.00 1.36 H new ATOM 0 HE1 PHE A 73 13.422 11.865 -2.445 1.00 1.31 H new ATOM 0 HE2 PHE A 73 12.767 15.414 -4.708 1.00 1.44 H new ATOM 0 HZ PHE A 73 13.567 13.089 -4.579 1.00 0.86 H new ATOM 1149 N SER A 74 9.256 14.280 -1.781 1.00 0.48 N ATOM 1150 CA SER A 74 8.084 14.043 -2.657 1.00 0.46 C ATOM 1151 C SER A 74 8.024 12.655 -3.256 1.00 0.42 C ATOM 1152 O SER A 74 6.974 12.225 -3.733 1.00 0.47 O ATOM 1153 CB SER A 74 8.026 15.065 -3.794 1.00 0.60 C ATOM 1154 OG SER A 74 7.026 16.041 -3.567 1.00 1.01 O ATOM 0 H SER A 74 10.160 14.251 -2.252 1.00 0.48 H new ATOM 0 HA SER A 74 7.224 14.151 -1.996 1.00 0.46 H new ATOM 0 HB2 SER A 74 8.995 15.553 -3.895 1.00 0.60 H new ATOM 0 HB3 SER A 74 7.828 14.552 -4.735 1.00 0.60 H new ATOM 0 HG SER A 74 7.017 16.679 -4.311 1.00 1.01 H new ATOM 1160 N GLU A 75 9.122 11.960 -3.239 1.00 0.43 N ATOM 1161 CA GLU A 75 9.176 10.596 -3.787 1.00 0.42 C ATOM 1162 C GLU A 75 8.251 9.565 -3.080 1.00 0.42 C ATOM 1163 O GLU A 75 8.482 8.362 -3.207 1.00 0.55 O ATOM 1164 CB GLU A 75 10.601 10.067 -3.695 1.00 0.44 C ATOM 1165 CG GLU A 75 11.654 10.978 -4.286 1.00 0.60 C ATOM 1166 CD GLU A 75 11.780 10.832 -5.790 1.00 0.93 C ATOM 1167 OE1 GLU A 75 12.536 9.945 -6.239 1.00 1.42 O ATOM 1168 OE2 GLU A 75 11.123 11.604 -6.518 1.00 1.60 O ATOM 0 H GLU A 75 10.005 12.297 -2.856 1.00 0.43 H new ATOM 0 HA GLU A 75 8.824 10.692 -4.814 1.00 0.42 H new ATOM 0 HB2 GLU A 75 10.841 9.889 -2.647 1.00 0.44 H new ATOM 0 HB3 GLU A 75 10.649 9.103 -4.201 1.00 0.44 H new ATOM 0 HG2 GLU A 75 11.410 12.013 -4.045 1.00 0.60 H new ATOM 0 HG3 GLU A 75 12.617 10.762 -3.823 1.00 0.60 H new ATOM 1175 N TYR A 76 7.217 10.005 -2.348 1.00 0.38 N ATOM 1176 CA TYR A 76 6.347 9.086 -1.636 1.00 0.38 C ATOM 1177 C TYR A 76 5.581 8.234 -2.606 1.00 0.39 C ATOM 1178 O TYR A 76 5.196 7.112 -2.297 1.00 0.43 O ATOM 1179 CB TYR A 76 5.405 9.844 -0.693 1.00 0.40 C ATOM 1180 CG TYR A 76 5.861 9.881 0.739 1.00 0.41 C ATOM 1181 CD1 TYR A 76 6.653 8.876 1.264 1.00 1.22 C ATOM 1182 CD2 TYR A 76 5.520 10.942 1.560 1.00 1.29 C ATOM 1183 CE1 TYR A 76 7.092 8.910 2.542 1.00 1.25 C ATOM 1184 CE2 TYR A 76 5.965 10.992 2.865 1.00 1.30 C ATOM 1185 CZ TYR A 76 6.755 9.972 3.355 1.00 0.49 C ATOM 1186 OH TYR A 76 7.202 10.015 4.655 1.00 0.55 O ATOM 0 H TYR A 76 6.972 10.989 -2.240 1.00 0.38 H new ATOM 0 HA TYR A 76 6.964 8.429 -1.023 1.00 0.38 H new ATOM 0 HB2 TYR A 76 5.295 10.867 -1.053 1.00 0.40 H new ATOM 0 HB3 TYR A 76 4.418 9.383 -0.736 1.00 0.40 H new ATOM 0 HD1 TYR A 76 6.928 8.042 0.636 1.00 1.22 H new ATOM 0 HD2 TYR A 76 4.900 11.738 1.175 1.00 1.29 H new ATOM 0 HE1 TYR A 76 7.705 8.108 2.925 1.00 1.25 H new ATOM 0 HE2 TYR A 76 5.697 11.824 3.499 1.00 1.30 H new ATOM 0 HH TYR A 76 8.182 10.000 4.665 1.00 0.55 H new ATOM 1196 N TRP A 77 5.418 8.741 -3.809 1.00 0.39 N ATOM 1197 CA TRP A 77 4.743 7.974 -4.837 1.00 0.43 C ATOM 1198 C TRP A 77 5.524 6.687 -5.096 1.00 0.45 C ATOM 1199 O TRP A 77 5.035 5.790 -5.776 1.00 0.49 O ATOM 1200 CB TRP A 77 4.643 8.767 -6.138 1.00 0.44 C ATOM 1201 CG TRP A 77 5.984 9.063 -6.718 1.00 0.44 C ATOM 1202 CD1 TRP A 77 6.865 8.156 -7.220 1.00 0.49 C ATOM 1203 CD2 TRP A 77 6.609 10.343 -6.838 1.00 0.45 C ATOM 1204 NE1 TRP A 77 8.001 8.788 -7.642 1.00 0.52 N ATOM 1205 CE2 TRP A 77 7.870 10.135 -7.423 1.00 0.50 C ATOM 1206 CE3 TRP A 77 6.225 11.642 -6.510 1.00 0.46 C ATOM 1207 CZ2 TRP A 77 8.750 11.183 -7.685 1.00 0.55 C ATOM 1208 CZ3 TRP A 77 7.095 12.681 -6.769 1.00 0.51 C ATOM 1209 CH2 TRP A 77 8.347 12.448 -7.351 1.00 0.55 C ATOM 0 H TRP A 77 5.737 9.666 -4.098 1.00 0.39 H new ATOM 0 HA TRP A 77 3.735 7.746 -4.491 1.00 0.43 H new ATOM 0 HB2 TRP A 77 4.052 8.204 -6.861 1.00 0.44 H new ATOM 0 HB3 TRP A 77 4.114 9.702 -5.953 1.00 0.44 H new ATOM 0 HD1 TRP A 77 6.692 7.091 -7.277 1.00 0.49 H new ATOM 0 HE1 TRP A 77 8.815 8.331 -8.053 1.00 0.52 H new ATOM 0 HE3 TRP A 77 5.262 11.832 -6.060 1.00 0.46 H new ATOM 0 HZ2 TRP A 77 9.715 11.004 -8.135 1.00 0.55 H new ATOM 0 HZ3 TRP A 77 6.805 13.691 -6.519 1.00 0.51 H new ATOM 0 HH2 TRP A 77 9.007 13.282 -7.540 1.00 0.55 H new ATOM 1220 N ARG A 78 6.751 6.598 -4.556 1.00 0.43 N ATOM 1221 CA ARG A 78 7.571 5.424 -4.750 1.00 0.47 C ATOM 1222 C ARG A 78 7.073 4.325 -3.838 1.00 0.49 C ATOM 1223 O ARG A 78 7.169 3.147 -4.169 1.00 0.61 O ATOM 1224 CB ARG A 78 9.039 5.763 -4.497 1.00 0.50 C ATOM 1225 CG ARG A 78 9.588 6.757 -5.501 1.00 0.60 C ATOM 1226 CD ARG A 78 10.031 6.068 -6.781 1.00 0.77 C ATOM 1227 NE ARG A 78 10.627 7.002 -7.733 1.00 1.48 N ATOM 1228 CZ ARG A 78 10.742 6.752 -9.033 1.00 1.75 C ATOM 1229 NH1 ARG A 78 10.292 5.609 -9.533 1.00 1.37 N ATOM 1230 NH2 ARG A 78 11.306 7.645 -9.835 1.00 2.82 N ATOM 0 H ARG A 78 7.181 7.328 -3.988 1.00 0.43 H new ATOM 0 HA ARG A 78 7.498 5.073 -5.779 1.00 0.47 H new ATOM 0 HB2 ARG A 78 9.146 6.171 -3.492 1.00 0.50 H new ATOM 0 HB3 ARG A 78 9.631 4.849 -4.535 1.00 0.50 H new ATOM 0 HG2 ARG A 78 8.826 7.501 -5.732 1.00 0.60 H new ATOM 0 HG3 ARG A 78 10.432 7.290 -5.063 1.00 0.60 H new ATOM 0 HD2 ARG A 78 10.753 5.287 -6.540 1.00 0.77 H new ATOM 0 HD3 ARG A 78 9.174 5.578 -7.243 1.00 0.77 H new ATOM 0 HE ARG A 78 10.974 7.894 -7.381 1.00 1.48 H new ATOM 0 HH11 ARG A 78 9.857 4.920 -8.919 1.00 1.37 H new ATOM 0 HH12 ARG A 78 10.381 5.419 -10.531 1.00 1.37 H new ATOM 0 HH21 ARG A 78 11.652 8.526 -9.454 1.00 2.82 H new ATOM 0 HH22 ARG A 78 11.393 7.451 -10.833 1.00 2.82 H new ATOM 1244 N LEU A 79 6.530 4.720 -2.683 1.00 0.43 N ATOM 1245 CA LEU A 79 5.953 3.752 -1.764 1.00 0.46 C ATOM 1246 C LEU A 79 4.726 3.128 -2.420 1.00 0.47 C ATOM 1247 O LEU A 79 4.290 2.039 -2.050 1.00 0.53 O ATOM 1248 CB LEU A 79 5.489 4.367 -0.430 1.00 0.55 C ATOM 1249 CG LEU A 79 6.120 5.689 0.025 1.00 0.63 C ATOM 1250 CD1 LEU A 79 5.016 6.654 0.444 1.00 1.24 C ATOM 1251 CD2 LEU A 79 7.049 5.447 1.199 1.00 0.89 C ATOM 0 H LEU A 79 6.481 5.690 -2.371 1.00 0.43 H new ATOM 0 HA LEU A 79 6.737 3.027 -1.547 1.00 0.46 H new ATOM 0 HB2 LEU A 79 4.411 4.518 -0.492 1.00 0.55 H new ATOM 0 HB3 LEU A 79 5.663 3.629 0.353 1.00 0.55 H new ATOM 0 HG LEU A 79 6.693 6.115 -0.799 1.00 0.63 H new ATOM 0 HD11 LEU A 79 5.459 7.595 0.768 1.00 1.24 H new ATOM 0 HD12 LEU A 79 4.353 6.837 -0.401 1.00 1.24 H new ATOM 0 HD13 LEU A 79 4.445 6.220 1.265 1.00 1.24 H new ATOM 0 HD21 LEU A 79 7.491 6.392 1.514 1.00 0.89 H new ATOM 0 HD22 LEU A 79 6.485 5.017 2.027 1.00 0.89 H new ATOM 0 HD23 LEU A 79 7.839 4.758 0.902 1.00 0.89 H new ATOM 1263 N ILE A 80 4.169 3.838 -3.400 1.00 0.46 N ATOM 1264 CA ILE A 80 2.972 3.397 -4.079 1.00 0.49 C ATOM 1265 C ILE A 80 3.007 1.907 -4.430 1.00 0.49 C ATOM 1266 O ILE A 80 2.108 1.158 -4.048 1.00 0.51 O ATOM 1267 CB ILE A 80 2.676 4.282 -5.324 1.00 0.53 C ATOM 1268 CG1 ILE A 80 1.174 4.329 -5.607 1.00 0.60 C ATOM 1269 CG2 ILE A 80 3.425 3.801 -6.550 1.00 0.57 C ATOM 1270 CD1 ILE A 80 0.809 5.200 -6.790 1.00 1.16 C ATOM 0 H ILE A 80 4.538 4.727 -3.737 1.00 0.46 H new ATOM 0 HA ILE A 80 2.145 3.521 -3.379 1.00 0.49 H new ATOM 0 HB ILE A 80 3.026 5.289 -5.096 1.00 0.53 H new ATOM 0 HG12 ILE A 80 0.815 3.316 -5.787 1.00 0.60 H new ATOM 0 HG13 ILE A 80 0.657 4.698 -4.721 1.00 0.60 H new ATOM 0 HG21 ILE A 80 3.190 4.446 -7.396 1.00 0.57 H new ATOM 0 HG22 ILE A 80 4.497 3.832 -6.357 1.00 0.57 H new ATOM 0 HG23 ILE A 80 3.127 2.778 -6.780 1.00 0.57 H new ATOM 0 HD11 ILE A 80 -0.272 5.186 -6.932 1.00 1.16 H new ATOM 0 HD12 ILE A 80 1.138 6.223 -6.604 1.00 1.16 H new ATOM 0 HD13 ILE A 80 1.298 4.819 -7.687 1.00 1.16 H new ATOM 1282 N GLY A 81 4.031 1.479 -5.154 1.00 0.48 N ATOM 1283 CA GLY A 81 4.142 0.075 -5.504 1.00 0.49 C ATOM 1284 C GLY A 81 4.739 -0.752 -4.379 1.00 0.43 C ATOM 1285 O GLY A 81 4.867 -1.971 -4.495 1.00 0.43 O ATOM 0 H GLY A 81 4.783 2.073 -5.504 1.00 0.48 H new ATOM 0 HA2 GLY A 81 3.155 -0.314 -5.754 1.00 0.49 H new ATOM 0 HA3 GLY A 81 4.761 -0.027 -6.396 1.00 0.49 H new ATOM 1289 N GLU A 82 5.105 -0.085 -3.285 1.00 0.41 N ATOM 1290 CA GLU A 82 5.717 -0.758 -2.140 1.00 0.39 C ATOM 1291 C GLU A 82 4.670 -1.384 -1.244 1.00 0.33 C ATOM 1292 O GLU A 82 4.618 -2.601 -1.078 1.00 0.34 O ATOM 1293 CB GLU A 82 6.526 0.235 -1.338 1.00 0.43 C ATOM 1294 CG GLU A 82 7.628 0.896 -2.145 1.00 0.46 C ATOM 1295 CD GLU A 82 8.671 -0.089 -2.637 1.00 0.71 C ATOM 1296 OE1 GLU A 82 9.527 -0.501 -1.827 1.00 1.39 O ATOM 1297 OE2 GLU A 82 8.630 -0.448 -3.832 1.00 1.47 O ATOM 0 H GLU A 82 4.988 0.921 -3.168 1.00 0.41 H new ATOM 0 HA GLU A 82 6.363 -1.549 -2.522 1.00 0.39 H new ATOM 0 HB2 GLU A 82 5.860 1.004 -0.945 1.00 0.43 H new ATOM 0 HB3 GLU A 82 6.967 -0.273 -0.480 1.00 0.43 H new ATOM 0 HG2 GLU A 82 7.188 1.409 -3.000 1.00 0.46 H new ATOM 0 HG3 GLU A 82 8.114 1.656 -1.533 1.00 0.46 H new ATOM 1304 N LEU A 83 3.830 -0.532 -0.664 1.00 0.34 N ATOM 1305 CA LEU A 83 2.763 -0.988 0.214 1.00 0.35 C ATOM 1306 C LEU A 83 1.969 -2.090 -0.465 1.00 0.35 C ATOM 1307 O LEU A 83 1.284 -2.873 0.190 1.00 0.43 O ATOM 1308 CB LEU A 83 1.837 0.174 0.588 1.00 0.43 C ATOM 1309 CG LEU A 83 2.411 1.193 1.582 1.00 0.50 C ATOM 1310 CD1 LEU A 83 3.571 1.963 0.970 1.00 1.26 C ATOM 1311 CD2 LEU A 83 1.321 2.152 2.037 1.00 1.31 C ATOM 0 H LEU A 83 3.870 0.480 -0.788 1.00 0.34 H new ATOM 0 HA LEU A 83 3.209 -1.380 1.128 1.00 0.35 H new ATOM 0 HB2 LEU A 83 1.560 0.702 -0.325 1.00 0.43 H new ATOM 0 HB3 LEU A 83 0.920 -0.238 1.008 1.00 0.43 H new ATOM 0 HG LEU A 83 2.789 0.648 2.447 1.00 0.50 H new ATOM 0 HD11 LEU A 83 3.957 2.677 1.697 1.00 1.26 H new ATOM 0 HD12 LEU A 83 4.362 1.267 0.689 1.00 1.26 H new ATOM 0 HD13 LEU A 83 3.226 2.497 0.084 1.00 1.26 H new ATOM 0 HD21 LEU A 83 1.739 2.870 2.742 1.00 1.31 H new ATOM 0 HD22 LEU A 83 0.919 2.682 1.174 1.00 1.31 H new ATOM 0 HD23 LEU A 83 0.522 1.591 2.522 1.00 1.31 H new ATOM 1323 N ALA A 84 2.049 -2.128 -1.790 1.00 0.34 N ATOM 1324 CA ALA A 84 1.366 -3.144 -2.553 1.00 0.37 C ATOM 1325 C ALA A 84 2.075 -4.486 -2.470 1.00 0.41 C ATOM 1326 O ALA A 84 1.422 -5.528 -2.530 1.00 0.48 O ATOM 1327 CB ALA A 84 1.241 -2.711 -3.994 1.00 0.42 C ATOM 0 H ALA A 84 2.582 -1.463 -2.350 1.00 0.34 H new ATOM 0 HA ALA A 84 0.372 -3.269 -2.123 1.00 0.37 H new ATOM 0 HB1 ALA A 84 0.724 -3.484 -4.563 1.00 0.42 H new ATOM 0 HB2 ALA A 84 0.674 -1.782 -4.047 1.00 0.42 H new ATOM 0 HB3 ALA A 84 2.234 -2.554 -4.414 1.00 0.42 H new ATOM 1333 N LYS A 85 3.411 -4.473 -2.349 1.00 0.42 N ATOM 1334 CA LYS A 85 4.183 -5.720 -2.240 1.00 0.51 C ATOM 1335 C LYS A 85 3.475 -6.685 -1.331 1.00 0.50 C ATOM 1336 O LYS A 85 2.932 -7.689 -1.775 1.00 0.67 O ATOM 1337 CB LYS A 85 5.592 -5.459 -1.710 1.00 0.62 C ATOM 1338 CG LYS A 85 6.632 -5.328 -2.806 1.00 1.18 C ATOM 1339 CD LYS A 85 7.045 -3.883 -3.009 1.00 1.42 C ATOM 1340 CE LYS A 85 7.809 -3.347 -1.807 1.00 1.55 C ATOM 1341 NZ LYS A 85 8.898 -4.267 -1.375 1.00 2.69 N ATOM 0 H LYS A 85 3.974 -3.623 -2.324 1.00 0.42 H new ATOM 0 HA LYS A 85 4.267 -6.149 -3.239 1.00 0.51 H new ATOM 0 HB2 LYS A 85 5.585 -4.546 -1.115 1.00 0.62 H new ATOM 0 HB3 LYS A 85 5.878 -6.272 -1.043 1.00 0.62 H new ATOM 0 HG2 LYS A 85 7.507 -5.926 -2.552 1.00 1.18 H new ATOM 0 HG3 LYS A 85 6.233 -5.728 -3.738 1.00 1.18 H new ATOM 0 HD2 LYS A 85 7.666 -3.803 -3.901 1.00 1.42 H new ATOM 0 HD3 LYS A 85 6.159 -3.271 -3.181 1.00 1.42 H new ATOM 0 HE2 LYS A 85 8.234 -2.374 -2.054 1.00 1.55 H new ATOM 0 HE3 LYS A 85 7.117 -3.192 -0.979 1.00 1.55 H new ATOM 0 HZ1 LYS A 85 9.736 -3.712 -1.109 1.00 2.69 H new ATOM 0 HZ2 LYS A 85 8.578 -4.824 -0.557 1.00 2.69 H new ATOM 0 HZ3 LYS A 85 9.141 -4.908 -2.157 1.00 2.69 H new ATOM 1355 N GLU A 86 3.435 -6.333 -0.068 1.00 0.45 N ATOM 1356 CA GLU A 86 2.786 -7.134 0.926 1.00 0.45 C ATOM 1357 C GLU A 86 1.426 -7.634 0.442 1.00 0.44 C ATOM 1358 O GLU A 86 1.055 -8.776 0.689 1.00 0.46 O ATOM 1359 CB GLU A 86 2.631 -6.314 2.204 1.00 0.48 C ATOM 1360 CG GLU A 86 2.418 -4.822 1.990 1.00 0.98 C ATOM 1361 CD GLU A 86 1.204 -4.297 2.727 1.00 2.08 C ATOM 1362 OE1 GLU A 86 0.133 -4.929 2.629 1.00 2.91 O ATOM 1363 OE2 GLU A 86 1.326 -3.258 3.409 1.00 2.61 O ATOM 0 H GLU A 86 3.856 -5.477 0.294 1.00 0.45 H new ATOM 0 HA GLU A 86 3.401 -8.012 1.124 1.00 0.45 H new ATOM 0 HB2 GLU A 86 1.788 -6.708 2.771 1.00 0.48 H new ATOM 0 HB3 GLU A 86 3.521 -6.454 2.818 1.00 0.48 H new ATOM 0 HG2 GLU A 86 3.303 -4.281 2.323 1.00 0.98 H new ATOM 0 HG3 GLU A 86 2.306 -4.624 0.924 1.00 0.98 H new ATOM 1370 N VAL A 87 0.696 -6.774 -0.257 1.00 0.44 N ATOM 1371 CA VAL A 87 -0.619 -7.136 -0.767 1.00 0.46 C ATOM 1372 C VAL A 87 -0.538 -7.942 -2.061 1.00 0.47 C ATOM 1373 O VAL A 87 -1.512 -8.581 -2.459 1.00 0.54 O ATOM 1374 CB VAL A 87 -1.502 -5.883 -0.995 1.00 0.54 C ATOM 1375 CG1 VAL A 87 -2.773 -6.235 -1.755 1.00 1.00 C ATOM 1376 CG2 VAL A 87 -1.824 -5.213 0.332 1.00 0.81 C ATOM 0 H VAL A 87 0.991 -5.824 -0.483 1.00 0.44 H new ATOM 0 HA VAL A 87 -1.077 -7.764 -0.003 1.00 0.46 H new ATOM 0 HB VAL A 87 -0.941 -5.177 -1.607 1.00 0.54 H new ATOM 0 HG11 VAL A 87 -3.371 -5.336 -1.899 1.00 1.00 H new ATOM 0 HG12 VAL A 87 -2.512 -6.657 -2.726 1.00 1.00 H new ATOM 0 HG13 VAL A 87 -3.347 -6.965 -1.185 1.00 1.00 H new ATOM 0 HG21 VAL A 87 -2.445 -4.335 0.155 1.00 0.81 H new ATOM 0 HG22 VAL A 87 -2.360 -5.913 0.972 1.00 0.81 H new ATOM 0 HG23 VAL A 87 -0.898 -4.910 0.821 1.00 0.81 H new ATOM 1386 N ARG A 88 0.606 -7.912 -2.713 1.00 0.50 N ATOM 1387 CA ARG A 88 0.765 -8.623 -3.971 1.00 0.52 C ATOM 1388 C ARG A 88 0.699 -10.137 -3.788 1.00 0.50 C ATOM 1389 O ARG A 88 -0.265 -10.774 -4.205 1.00 0.59 O ATOM 1390 CB ARG A 88 2.077 -8.210 -4.629 1.00 0.56 C ATOM 1391 CG ARG A 88 2.178 -8.627 -6.085 1.00 0.67 C ATOM 1392 CD ARG A 88 3.500 -8.195 -6.697 1.00 1.33 C ATOM 1393 NE ARG A 88 3.615 -8.594 -8.097 1.00 1.83 N ATOM 1394 CZ ARG A 88 4.768 -8.637 -8.757 1.00 2.72 C ATOM 1395 NH1 ARG A 88 5.897 -8.312 -8.143 1.00 3.25 N ATOM 1396 NH2 ARG A 88 4.792 -9.004 -10.031 1.00 3.50 N ATOM 0 H ARG A 88 1.435 -7.408 -2.398 1.00 0.50 H new ATOM 0 HA ARG A 88 -0.066 -8.351 -4.621 1.00 0.52 H new ATOM 0 HB2 ARG A 88 2.184 -7.127 -4.560 1.00 0.56 H new ATOM 0 HB3 ARG A 88 2.907 -8.648 -4.075 1.00 0.56 H new ATOM 0 HG2 ARG A 88 2.076 -9.709 -6.163 1.00 0.67 H new ATOM 0 HG3 ARG A 88 1.354 -8.188 -6.648 1.00 0.67 H new ATOM 0 HD2 ARG A 88 3.598 -7.112 -6.620 1.00 1.33 H new ATOM 0 HD3 ARG A 88 4.322 -8.630 -6.128 1.00 1.33 H new ATOM 0 HE ARG A 88 2.764 -8.854 -8.596 1.00 1.83 H new ATOM 0 HH11 ARG A 88 5.881 -8.029 -7.163 1.00 3.25 H new ATOM 0 HH12 ARG A 88 6.781 -8.345 -8.650 1.00 3.25 H new ATOM 0 HH21 ARG A 88 3.925 -9.254 -10.506 1.00 3.50 H new ATOM 0 HH22 ARG A 88 5.678 -9.036 -10.536 1.00 3.50 H new ATOM 1410 N LYS A 89 1.721 -10.707 -3.170 1.00 0.47 N ATOM 1411 CA LYS A 89 1.768 -12.153 -2.946 1.00 0.49 C ATOM 1412 C LYS A 89 0.671 -12.592 -1.991 1.00 0.49 C ATOM 1413 O LYS A 89 0.175 -13.717 -2.071 1.00 0.55 O ATOM 1414 CB LYS A 89 3.141 -12.600 -2.421 1.00 0.56 C ATOM 1415 CG LYS A 89 3.377 -12.391 -0.925 1.00 0.70 C ATOM 1416 CD LYS A 89 4.442 -11.350 -0.662 1.00 1.55 C ATOM 1417 CE LYS A 89 4.002 -9.954 -1.037 1.00 2.44 C ATOM 1418 NZ LYS A 89 4.576 -9.521 -2.346 1.00 3.29 N ATOM 0 H LYS A 89 2.529 -10.197 -2.814 1.00 0.47 H new ATOM 0 HA LYS A 89 1.603 -12.634 -3.910 1.00 0.49 H new ATOM 0 HB2 LYS A 89 3.269 -13.659 -2.646 1.00 0.56 H new ATOM 0 HB3 LYS A 89 3.913 -12.062 -2.971 1.00 0.56 H new ATOM 0 HG2 LYS A 89 2.445 -12.085 -0.450 1.00 0.70 H new ATOM 0 HG3 LYS A 89 3.672 -13.336 -0.469 1.00 0.70 H new ATOM 0 HD2 LYS A 89 4.710 -11.370 0.394 1.00 1.55 H new ATOM 0 HD3 LYS A 89 5.340 -11.606 -1.224 1.00 1.55 H new ATOM 0 HE2 LYS A 89 2.914 -9.918 -1.088 1.00 2.44 H new ATOM 0 HE3 LYS A 89 4.308 -9.256 -0.258 1.00 2.44 H new ATOM 0 HZ1 LYS A 89 4.184 -8.594 -2.607 1.00 3.29 H new ATOM 0 HZ2 LYS A 89 5.610 -9.449 -2.265 1.00 3.29 H new ATOM 0 HZ3 LYS A 89 4.334 -10.218 -3.079 1.00 3.29 H new ATOM 1432 N GLU A 90 0.292 -11.699 -1.089 1.00 0.47 N ATOM 1433 CA GLU A 90 -0.755 -11.994 -0.125 1.00 0.52 C ATOM 1434 C GLU A 90 -2.118 -12.108 -0.806 1.00 0.55 C ATOM 1435 O GLU A 90 -3.097 -12.516 -0.181 1.00 0.62 O ATOM 1436 CB GLU A 90 -0.788 -10.922 0.962 1.00 0.55 C ATOM 1437 CG GLU A 90 0.381 -11.022 1.933 1.00 0.62 C ATOM 1438 CD GLU A 90 0.287 -10.021 3.068 1.00 1.26 C ATOM 1439 OE1 GLU A 90 -0.594 -10.190 3.936 1.00 1.95 O ATOM 1440 OE2 GLU A 90 1.099 -9.073 3.093 1.00 1.97 O ATOM 0 H GLU A 90 0.694 -10.765 -1.005 1.00 0.47 H new ATOM 0 HA GLU A 90 -0.531 -12.956 0.335 1.00 0.52 H new ATOM 0 HB2 GLU A 90 -0.781 -9.938 0.494 1.00 0.55 H new ATOM 0 HB3 GLU A 90 -1.722 -11.004 1.517 1.00 0.55 H new ATOM 0 HG2 GLU A 90 0.420 -12.030 2.346 1.00 0.62 H new ATOM 0 HG3 GLU A 90 1.313 -10.863 1.391 1.00 0.62 H new ATOM 1447 N LYS A 91 -2.183 -11.749 -2.091 1.00 0.54 N ATOM 1448 CA LYS A 91 -3.432 -11.828 -2.833 1.00 0.61 C ATOM 1449 C LYS A 91 -3.902 -13.273 -2.940 1.00 0.63 C ATOM 1450 O LYS A 91 -5.056 -13.590 -2.651 1.00 0.70 O ATOM 1451 CB LYS A 91 -3.271 -11.210 -4.225 1.00 0.62 C ATOM 1452 CG LYS A 91 -2.525 -12.089 -5.219 1.00 0.61 C ATOM 1453 CD LYS A 91 -2.254 -11.352 -6.520 1.00 0.67 C ATOM 1454 CE LYS A 91 -1.413 -12.190 -7.470 1.00 0.70 C ATOM 1455 NZ LYS A 91 -2.079 -13.477 -7.816 1.00 1.38 N ATOM 0 H LYS A 91 -1.389 -11.404 -2.631 1.00 0.54 H new ATOM 0 HA LYS A 91 -4.189 -11.261 -2.291 1.00 0.61 H new ATOM 0 HB2 LYS A 91 -4.259 -10.986 -4.627 1.00 0.62 H new ATOM 0 HB3 LYS A 91 -2.743 -10.261 -4.129 1.00 0.62 H new ATOM 0 HG2 LYS A 91 -1.582 -12.415 -4.781 1.00 0.61 H new ATOM 0 HG3 LYS A 91 -3.109 -12.986 -5.423 1.00 0.61 H new ATOM 0 HD2 LYS A 91 -3.199 -11.096 -6.998 1.00 0.67 H new ATOM 0 HD3 LYS A 91 -1.740 -10.414 -6.308 1.00 0.67 H new ATOM 0 HE2 LYS A 91 -1.223 -11.624 -8.382 1.00 0.70 H new ATOM 0 HE3 LYS A 91 -0.445 -12.394 -7.013 1.00 0.70 H new ATOM 0 HZ1 LYS A 91 -1.560 -13.939 -8.590 1.00 1.38 H new ATOM 0 HZ2 LYS A 91 -2.086 -14.099 -6.983 1.00 1.38 H new ATOM 0 HZ3 LYS A 91 -3.057 -13.292 -8.118 1.00 1.38 H new ATOM 1469 N ALA A 92 -2.993 -14.138 -3.359 1.00 0.61 N ATOM 1470 CA ALA A 92 -3.291 -15.558 -3.513 1.00 0.66 C ATOM 1471 C ALA A 92 -3.222 -16.303 -2.186 1.00 0.64 C ATOM 1472 O ALA A 92 -3.788 -17.384 -2.051 1.00 0.70 O ATOM 1473 CB ALA A 92 -2.350 -16.188 -4.527 1.00 0.75 C ATOM 0 H ALA A 92 -2.036 -13.882 -3.601 1.00 0.61 H new ATOM 0 HA ALA A 92 -4.315 -15.640 -3.878 1.00 0.66 H new ATOM 0 HB1 ALA A 92 -2.584 -17.247 -4.631 1.00 0.75 H new ATOM 0 HB2 ALA A 92 -2.470 -15.693 -5.491 1.00 0.75 H new ATOM 0 HB3 ALA A 92 -1.321 -16.076 -4.187 1.00 0.75 H new ATOM 1479 N LEU A 93 -2.493 -15.758 -1.223 1.00 0.62 N ATOM 1480 CA LEU A 93 -2.392 -16.396 0.086 1.00 0.66 C ATOM 1481 C LEU A 93 -3.583 -16.042 0.964 1.00 0.59 C ATOM 1482 O LEU A 93 -4.014 -16.842 1.793 1.00 0.64 O ATOM 1483 CB LEU A 93 -1.097 -16.013 0.794 1.00 0.75 C ATOM 1484 CG LEU A 93 -0.790 -16.870 2.020 1.00 0.82 C ATOM 1485 CD1 LEU A 93 0.683 -17.252 2.049 1.00 1.03 C ATOM 1486 CD2 LEU A 93 -1.175 -16.131 3.292 1.00 0.95 C ATOM 0 H LEU A 93 -1.969 -14.888 -1.318 1.00 0.62 H new ATOM 0 HA LEU A 93 -2.389 -17.473 -0.083 1.00 0.66 H new ATOM 0 HB2 LEU A 93 -0.270 -16.095 0.089 1.00 0.75 H new ATOM 0 HB3 LEU A 93 -1.155 -14.968 1.098 1.00 0.75 H new ATOM 0 HG LEU A 93 -1.380 -17.785 1.959 1.00 0.82 H new ATOM 0 HD11 LEU A 93 0.883 -17.862 2.930 1.00 1.03 H new ATOM 0 HD12 LEU A 93 0.930 -17.818 1.151 1.00 1.03 H new ATOM 0 HD13 LEU A 93 1.292 -16.349 2.087 1.00 1.03 H new ATOM 0 HD21 LEU A 93 -0.950 -16.755 4.157 1.00 0.95 H new ATOM 0 HD22 LEU A 93 -0.610 -15.201 3.358 1.00 0.95 H new ATOM 0 HD23 LEU A 93 -2.241 -15.907 3.274 1.00 0.95 H new ATOM 1498 N GLY A 94 -4.113 -14.838 0.775 1.00 0.53 N ATOM 1499 CA GLY A 94 -5.248 -14.386 1.563 1.00 0.52 C ATOM 1500 C GLY A 94 -6.299 -15.453 1.762 1.00 0.52 C ATOM 1501 O GLY A 94 -6.943 -15.510 2.809 1.00 0.57 O ATOM 0 H GLY A 94 -3.776 -14.164 0.088 1.00 0.53 H new ATOM 0 HA2 GLY A 94 -4.894 -14.048 2.537 1.00 0.52 H new ATOM 0 HA3 GLY A 94 -5.702 -13.525 1.073 1.00 0.52 H new ATOM 1505 N ILE A 95 -6.483 -16.292 0.749 1.00 0.54 N ATOM 1506 CA ILE A 95 -7.489 -17.343 0.806 1.00 0.57 C ATOM 1507 C ILE A 95 -7.146 -18.403 1.836 1.00 0.61 C ATOM 1508 O ILE A 95 -6.939 -19.567 1.493 1.00 0.67 O ATOM 1509 CB ILE A 95 -7.682 -18.019 -0.563 1.00 0.63 C ATOM 1510 CG1 ILE A 95 -6.340 -18.458 -1.128 1.00 1.32 C ATOM 1511 CG2 ILE A 95 -8.372 -17.078 -1.522 1.00 1.09 C ATOM 1512 CD1 ILE A 95 -6.458 -19.392 -2.312 1.00 1.68 C ATOM 0 H ILE A 95 -5.949 -16.264 -0.120 1.00 0.54 H new ATOM 0 HA ILE A 95 -8.418 -16.855 1.099 1.00 0.57 H new ATOM 0 HB ILE A 95 -8.310 -18.900 -0.430 1.00 0.63 H new ATOM 0 HG12 ILE A 95 -5.775 -17.575 -1.427 1.00 1.32 H new ATOM 0 HG13 ILE A 95 -5.768 -18.951 -0.342 1.00 1.32 H new ATOM 0 HG21 ILE A 95 -8.501 -17.571 -2.486 1.00 1.09 H new ATOM 0 HG22 ILE A 95 -9.348 -16.802 -1.122 1.00 1.09 H new ATOM 0 HG23 ILE A 95 -7.766 -16.181 -1.651 1.00 1.09 H new ATOM 0 HD11 ILE A 95 -5.462 -19.663 -2.662 1.00 1.68 H new ATOM 0 HD12 ILE A 95 -6.995 -20.292 -2.013 1.00 1.68 H new ATOM 0 HD13 ILE A 95 -7.002 -18.895 -3.115 1.00 1.68 H new ATOM 1524 N ARG A 96 -7.081 -18.005 3.100 1.00 0.64 N ATOM 1525 CA ARG A 96 -6.795 -18.954 4.162 1.00 0.74 C ATOM 1526 C ARG A 96 -7.855 -20.049 4.140 1.00 0.82 C ATOM 1527 O ARG A 96 -7.619 -21.172 4.586 1.00 0.93 O ATOM 1528 CB ARG A 96 -6.736 -18.248 5.519 1.00 0.84 C ATOM 1529 CG ARG A 96 -8.084 -17.759 6.026 1.00 1.65 C ATOM 1530 CD ARG A 96 -8.778 -18.812 6.877 1.00 2.45 C ATOM 1531 NE ARG A 96 -8.063 -19.067 8.125 1.00 2.91 N ATOM 1532 CZ ARG A 96 -8.441 -19.975 9.020 1.00 3.85 C ATOM 1533 NH1 ARG A 96 -9.522 -20.712 8.805 1.00 4.47 N ATOM 1534 NH2 ARG A 96 -7.737 -20.148 10.130 1.00 4.48 N ATOM 0 H ARG A 96 -7.221 -17.043 3.410 1.00 0.64 H new ATOM 0 HA ARG A 96 -5.817 -19.408 4.001 1.00 0.74 H new ATOM 0 HB2 ARG A 96 -6.310 -18.932 6.254 1.00 0.84 H new ATOM 0 HB3 ARG A 96 -6.058 -17.398 5.445 1.00 0.84 H new ATOM 0 HG2 ARG A 96 -7.945 -16.850 6.612 1.00 1.65 H new ATOM 0 HG3 ARG A 96 -8.719 -17.498 5.179 1.00 1.65 H new ATOM 0 HD2 ARG A 96 -9.793 -18.485 7.101 1.00 2.45 H new ATOM 0 HD3 ARG A 96 -8.860 -19.740 6.310 1.00 2.45 H new ATOM 0 HE ARG A 96 -7.226 -18.517 8.321 1.00 2.91 H new ATOM 0 HH11 ARG A 96 -10.066 -20.583 7.952 1.00 4.47 H new ATOM 0 HH12 ARG A 96 -9.810 -21.408 9.493 1.00 4.47 H new ATOM 0 HH21 ARG A 96 -6.904 -19.584 10.299 1.00 4.48 H new ATOM 0 HH22 ARG A 96 -8.028 -20.845 10.815 1.00 4.48 H new ATOM 1548 N LYS A 97 -9.030 -19.702 3.610 1.00 0.83 N ATOM 1549 CA LYS A 97 -10.125 -20.656 3.472 1.00 0.95 C ATOM 1550 C LYS A 97 -10.046 -21.307 2.097 1.00 0.94 C ATOM 1551 O LYS A 97 -10.722 -20.886 1.157 1.00 0.98 O ATOM 1552 CB LYS A 97 -11.503 -19.984 3.652 1.00 1.06 C ATOM 1553 CG LYS A 97 -11.531 -18.497 3.315 1.00 0.99 C ATOM 1554 CD LYS A 97 -11.208 -17.661 4.537 1.00 1.56 C ATOM 1555 CE LYS A 97 -10.601 -16.332 4.146 1.00 1.85 C ATOM 1556 NZ LYS A 97 -10.491 -15.404 5.305 1.00 2.92 N ATOM 0 H LYS A 97 -9.245 -18.765 3.270 1.00 0.83 H new ATOM 0 HA LYS A 97 -10.023 -21.406 4.256 1.00 0.95 H new ATOM 0 HB2 LYS A 97 -12.229 -20.500 3.024 1.00 1.06 H new ATOM 0 HB3 LYS A 97 -11.825 -20.116 4.685 1.00 1.06 H new ATOM 0 HG2 LYS A 97 -10.812 -18.285 2.524 1.00 0.99 H new ATOM 0 HG3 LYS A 97 -12.515 -18.225 2.933 1.00 0.99 H new ATOM 0 HD2 LYS A 97 -12.116 -17.493 5.116 1.00 1.56 H new ATOM 0 HD3 LYS A 97 -10.516 -18.205 5.180 1.00 1.56 H new ATOM 0 HE2 LYS A 97 -9.612 -16.497 3.719 1.00 1.85 H new ATOM 0 HE3 LYS A 97 -11.210 -15.870 3.369 1.00 1.85 H new ATOM 0 HZ1 LYS A 97 -9.979 -14.546 5.016 1.00 2.92 H new ATOM 0 HZ2 LYS A 97 -11.443 -15.144 5.634 1.00 2.92 H new ATOM 0 HZ3 LYS A 97 -9.974 -15.872 6.077 1.00 2.92 H new ATOM 1570 N LYS A 98 -9.207 -22.330 1.987 1.00 0.97 N ATOM 1571 CA LYS A 98 -9.026 -23.037 0.727 1.00 1.06 C ATOM 1572 C LYS A 98 -9.850 -24.320 0.699 1.00 1.22 C ATOM 1573 O LYS A 98 -11.004 -24.270 0.220 1.00 1.61 O ATOM 1574 CB LYS A 98 -7.544 -23.361 0.507 1.00 1.08 C ATOM 1575 CG LYS A 98 -6.641 -22.134 0.442 1.00 1.07 C ATOM 1576 CD LYS A 98 -5.264 -22.492 -0.089 1.00 1.51 C ATOM 1577 CE LYS A 98 -4.387 -21.259 -0.226 1.00 2.00 C ATOM 1578 NZ LYS A 98 -4.162 -20.587 1.084 1.00 2.74 N ATOM 1579 OXT LYS A 98 -9.337 -25.364 1.153 1.00 1.70 O ATOM 0 H LYS A 98 -8.641 -22.688 2.756 1.00 0.97 H new ATOM 0 HA LYS A 98 -9.372 -22.388 -0.078 1.00 1.06 H new ATOM 0 HB2 LYS A 98 -7.201 -24.009 1.314 1.00 1.08 H new ATOM 0 HB3 LYS A 98 -7.440 -23.925 -0.420 1.00 1.08 H new ATOM 0 HG2 LYS A 98 -7.095 -21.378 -0.199 1.00 1.07 H new ATOM 0 HG3 LYS A 98 -6.548 -21.695 1.435 1.00 1.07 H new ATOM 0 HD2 LYS A 98 -4.788 -23.207 0.582 1.00 1.51 H new ATOM 0 HD3 LYS A 98 -5.362 -22.981 -1.058 1.00 1.51 H new ATOM 0 HE2 LYS A 98 -3.427 -21.543 -0.658 1.00 2.00 H new ATOM 0 HE3 LYS A 98 -4.853 -20.558 -0.918 1.00 2.00 H new ATOM 0 HZ1 LYS A 98 -3.417 -19.869 0.982 1.00 2.74 H new ATOM 0 HZ2 LYS A 98 -5.043 -20.131 1.396 1.00 2.74 H new ATOM 0 HZ3 LYS A 98 -3.869 -21.292 1.790 1.00 2.74 H new ATOM 1594 N MET B 1 18.456 -4.714 -3.605 1.00 0.65 N ATOM 1595 CA MET B 1 17.379 -5.696 -3.315 1.00 0.59 C ATOM 1596 C MET B 1 16.103 -5.339 -4.062 1.00 0.59 C ATOM 1597 O MET B 1 15.802 -4.165 -4.271 1.00 0.60 O ATOM 1598 CB MET B 1 17.098 -5.744 -1.818 1.00 0.58 C ATOM 1599 CG MET B 1 17.822 -6.880 -1.090 1.00 0.60 C ATOM 1600 SD MET B 1 19.579 -7.007 -1.502 1.00 0.94 S ATOM 1601 CE MET B 1 19.565 -8.395 -2.635 1.00 1.18 C ATOM 0 H1 MET B 1 19.340 -5.024 -3.153 1.00 0.65 H new ATOM 0 H2 MET B 1 18.598 -4.648 -4.633 1.00 0.65 H new ATOM 0 H3 MET B 1 18.185 -3.782 -3.232 1.00 0.65 H new ATOM 0 HA MET B 1 17.718 -6.676 -3.651 1.00 0.59 H new ATOM 0 HB2 MET B 1 17.392 -4.794 -1.372 1.00 0.58 H new ATOM 0 HB3 MET B 1 16.024 -5.851 -1.662 1.00 0.58 H new ATOM 0 HG2 MET B 1 17.720 -6.733 -0.015 1.00 0.60 H new ATOM 0 HG3 MET B 1 17.333 -7.824 -1.331 1.00 0.60 H new ATOM 0 HE1 MET B 1 19.992 -9.270 -2.144 1.00 1.18 H new ATOM 0 HE2 MET B 1 18.539 -8.611 -2.933 1.00 1.18 H new ATOM 0 HE3 MET B 1 20.156 -8.150 -3.518 1.00 1.18 H new ATOM 1613 N ALA B 2 15.360 -6.361 -4.463 1.00 0.61 N ATOM 1614 CA ALA B 2 14.113 -6.148 -5.185 1.00 0.64 C ATOM 1615 C ALA B 2 12.903 -6.519 -4.346 1.00 0.62 C ATOM 1616 O ALA B 2 13.009 -7.246 -3.359 1.00 0.71 O ATOM 1617 CB ALA B 2 14.090 -6.931 -6.487 1.00 0.72 C ATOM 0 H ALA B 2 15.597 -7.340 -4.302 1.00 0.61 H new ATOM 0 HA ALA B 2 14.061 -5.083 -5.410 1.00 0.64 H new ATOM 0 HB1 ALA B 2 13.147 -6.751 -7.003 1.00 0.72 H new ATOM 0 HB2 ALA B 2 14.917 -6.609 -7.120 1.00 0.72 H new ATOM 0 HB3 ALA B 2 14.190 -7.995 -6.273 1.00 0.72 H new ATOM 1623 N ALA B 3 11.752 -6.003 -4.752 1.00 0.73 N ATOM 1624 CA ALA B 3 10.502 -6.274 -4.065 1.00 0.75 C ATOM 1625 C ALA B 3 10.080 -7.721 -4.275 1.00 0.65 C ATOM 1626 O ALA B 3 9.199 -8.011 -5.084 1.00 0.81 O ATOM 1627 CB ALA B 3 9.421 -5.335 -4.570 1.00 1.04 C ATOM 0 H ALA B 3 11.660 -5.389 -5.561 1.00 0.73 H new ATOM 0 HA ALA B 3 10.647 -6.109 -2.997 1.00 0.75 H new ATOM 0 HB1 ALA B 3 8.486 -5.544 -4.050 1.00 1.04 H new ATOM 0 HB2 ALA B 3 9.718 -4.303 -4.382 1.00 1.04 H new ATOM 0 HB3 ALA B 3 9.282 -5.483 -5.641 1.00 1.04 H new ATOM 1633 N GLU B 4 10.723 -8.623 -3.550 1.00 0.62 N ATOM 1634 CA GLU B 4 10.422 -10.042 -3.655 1.00 0.75 C ATOM 1635 C GLU B 4 9.062 -10.348 -3.010 1.00 0.74 C ATOM 1636 O GLU B 4 8.047 -9.803 -3.443 1.00 0.86 O ATOM 1637 CB GLU B 4 11.554 -10.846 -3.022 1.00 0.97 C ATOM 1638 CG GLU B 4 12.926 -10.382 -3.449 1.00 1.45 C ATOM 1639 CD GLU B 4 14.015 -11.314 -2.965 1.00 2.42 C ATOM 1640 OE1 GLU B 4 13.751 -12.079 -2.018 1.00 3.20 O ATOM 1641 OE2 GLU B 4 15.128 -11.281 -3.533 1.00 3.02 O ATOM 0 H GLU B 4 11.459 -8.397 -2.881 1.00 0.62 H new ATOM 0 HA GLU B 4 10.349 -10.331 -4.704 1.00 0.75 H new ATOM 0 HB2 GLU B 4 11.476 -10.778 -1.937 1.00 0.97 H new ATOM 0 HB3 GLU B 4 11.435 -11.897 -3.285 1.00 0.97 H new ATOM 0 HG2 GLU B 4 12.964 -10.314 -4.536 1.00 1.45 H new ATOM 0 HG3 GLU B 4 13.107 -9.380 -3.060 1.00 1.45 H new ATOM 1648 N THR B 5 9.017 -11.207 -1.983 1.00 0.70 N ATOM 1649 CA THR B 5 7.753 -11.518 -1.337 1.00 0.75 C ATOM 1650 C THR B 5 7.210 -10.304 -0.556 1.00 0.62 C ATOM 1651 O THR B 5 7.261 -9.184 -1.065 1.00 0.79 O ATOM 1652 CB THR B 5 7.890 -12.754 -0.431 1.00 0.92 C ATOM 1653 OG1 THR B 5 8.870 -13.648 -0.972 1.00 1.42 O ATOM 1654 CG2 THR B 5 6.555 -13.473 -0.323 1.00 1.08 C ATOM 0 H THR B 5 9.829 -11.686 -1.594 1.00 0.70 H new ATOM 0 HA THR B 5 7.027 -11.755 -2.115 1.00 0.75 H new ATOM 0 HB THR B 5 8.204 -12.429 0.561 1.00 0.92 H new ATOM 0 HG1 THR B 5 9.704 -13.566 -0.463 1.00 1.42 H new ATOM 0 HG21 THR B 5 6.663 -14.346 0.320 1.00 1.08 H new ATOM 0 HG22 THR B 5 5.812 -12.799 0.102 1.00 1.08 H new ATOM 0 HG23 THR B 5 6.232 -13.791 -1.314 1.00 1.08 H new ATOM 1662 N LEU B 6 6.692 -10.501 0.668 1.00 0.54 N ATOM 1663 CA LEU B 6 6.127 -9.387 1.423 1.00 0.50 C ATOM 1664 C LEU B 6 7.145 -8.758 2.346 1.00 0.49 C ATOM 1665 O LEU B 6 7.660 -9.394 3.264 1.00 0.56 O ATOM 1666 CB LEU B 6 4.881 -9.776 2.223 1.00 0.60 C ATOM 1667 CG LEU B 6 4.915 -11.145 2.859 1.00 0.75 C ATOM 1668 CD1 LEU B 6 5.856 -11.176 4.052 1.00 1.15 C ATOM 1669 CD2 LEU B 6 3.514 -11.580 3.261 1.00 1.07 C ATOM 0 H LEU B 6 6.656 -11.404 1.142 1.00 0.54 H new ATOM 0 HA LEU B 6 5.827 -8.655 0.673 1.00 0.50 H new ATOM 0 HB2 LEU B 6 4.729 -9.034 3.007 1.00 0.60 H new ATOM 0 HB3 LEU B 6 4.016 -9.723 1.562 1.00 0.60 H new ATOM 0 HG LEU B 6 5.296 -11.851 2.121 1.00 0.75 H new ATOM 0 HD11 LEU B 6 5.858 -12.175 4.488 1.00 1.15 H new ATOM 0 HD12 LEU B 6 6.864 -10.920 3.727 1.00 1.15 H new ATOM 0 HD13 LEU B 6 5.521 -10.455 4.798 1.00 1.15 H new ATOM 0 HD21 LEU B 6 3.557 -12.569 3.718 1.00 1.07 H new ATOM 0 HD22 LEU B 6 3.103 -10.868 3.976 1.00 1.07 H new ATOM 0 HD23 LEU B 6 2.877 -11.616 2.378 1.00 1.07 H new ATOM 1681 N THR B 7 7.427 -7.499 2.091 1.00 0.50 N ATOM 1682 CA THR B 7 8.382 -6.761 2.891 1.00 0.53 C ATOM 1683 C THR B 7 7.740 -6.305 4.171 1.00 0.48 C ATOM 1684 O THR B 7 6.538 -6.447 4.357 1.00 0.55 O ATOM 1685 CB THR B 7 8.938 -5.530 2.139 1.00 0.60 C ATOM 1686 OG1 THR B 7 8.506 -5.554 0.775 1.00 0.83 O ATOM 1687 CG2 THR B 7 10.461 -5.481 2.190 1.00 0.80 C ATOM 0 H THR B 7 7.007 -6.962 1.332 1.00 0.50 H new ATOM 0 HA THR B 7 9.212 -7.435 3.105 1.00 0.53 H new ATOM 0 HB THR B 7 8.553 -4.638 2.634 1.00 0.60 H new ATOM 0 HG1 THR B 7 7.591 -5.208 0.716 1.00 0.83 H new ATOM 0 HG21 THR B 7 10.815 -4.602 1.651 1.00 0.80 H new ATOM 0 HG22 THR B 7 10.789 -5.426 3.228 1.00 0.80 H new ATOM 0 HG23 THR B 7 10.870 -6.379 1.727 1.00 0.80 H new ATOM 1695 N GLU B 8 8.550 -5.727 5.039 1.00 0.46 N ATOM 1696 CA GLU B 8 8.082 -5.225 6.329 1.00 0.45 C ATOM 1697 C GLU B 8 6.723 -4.531 6.186 1.00 0.41 C ATOM 1698 O GLU B 8 5.922 -4.498 7.120 1.00 0.42 O ATOM 1699 CB GLU B 8 9.100 -4.241 6.911 1.00 0.50 C ATOM 1700 CG GLU B 8 10.551 -4.664 6.717 1.00 0.52 C ATOM 1701 CD GLU B 8 10.815 -6.077 7.202 1.00 1.09 C ATOM 1702 OE1 GLU B 8 11.094 -6.248 8.408 1.00 1.67 O ATOM 1703 OE2 GLU B 8 10.745 -7.011 6.376 1.00 1.94 O ATOM 0 H GLU B 8 9.548 -5.590 4.876 1.00 0.46 H new ATOM 0 HA GLU B 8 7.971 -6.075 7.002 1.00 0.45 H new ATOM 0 HB2 GLU B 8 8.952 -3.265 6.449 1.00 0.50 H new ATOM 0 HB3 GLU B 8 8.906 -4.122 7.977 1.00 0.50 H new ATOM 0 HG2 GLU B 8 10.809 -4.592 5.660 1.00 0.52 H new ATOM 0 HG3 GLU B 8 11.202 -3.972 7.252 1.00 0.52 H new ATOM 1710 N LEU B 9 6.487 -3.985 4.999 1.00 0.41 N ATOM 1711 CA LEU B 9 5.247 -3.292 4.685 1.00 0.40 C ATOM 1712 C LEU B 9 4.023 -4.156 4.968 1.00 0.38 C ATOM 1713 O LEU B 9 2.934 -3.635 5.204 1.00 0.40 O ATOM 1714 CB LEU B 9 5.273 -2.867 3.216 1.00 0.46 C ATOM 1715 CG LEU B 9 6.610 -2.287 2.723 1.00 0.58 C ATOM 1716 CD1 LEU B 9 6.378 -1.338 1.562 1.00 0.93 C ATOM 1717 CD2 LEU B 9 7.386 -1.592 3.845 1.00 0.93 C ATOM 0 H LEU B 9 7.153 -4.011 4.227 1.00 0.41 H new ATOM 0 HA LEU B 9 5.171 -2.414 5.326 1.00 0.40 H new ATOM 0 HB2 LEU B 9 5.022 -3.731 2.600 1.00 0.46 H new ATOM 0 HB3 LEU B 9 4.492 -2.123 3.056 1.00 0.46 H new ATOM 0 HG LEU B 9 7.222 -3.122 2.381 1.00 0.58 H new ATOM 0 HD11 LEU B 9 7.333 -0.936 1.224 1.00 0.93 H new ATOM 0 HD12 LEU B 9 5.900 -1.875 0.743 1.00 0.93 H new ATOM 0 HD13 LEU B 9 5.733 -0.520 1.884 1.00 0.93 H new ATOM 0 HD21 LEU B 9 8.323 -1.198 3.450 1.00 0.93 H new ATOM 0 HD22 LEU B 9 6.789 -0.773 4.247 1.00 0.93 H new ATOM 0 HD23 LEU B 9 7.599 -2.309 4.638 1.00 0.93 H new ATOM 1729 N GLU B 10 4.195 -5.473 4.944 1.00 0.38 N ATOM 1730 CA GLU B 10 3.087 -6.372 5.241 1.00 0.39 C ATOM 1731 C GLU B 10 2.567 -6.064 6.633 1.00 0.38 C ATOM 1732 O GLU B 10 1.370 -6.140 6.891 1.00 0.40 O ATOM 1733 CB GLU B 10 3.519 -7.836 5.132 1.00 0.45 C ATOM 1734 CG GLU B 10 4.923 -8.089 5.631 1.00 0.45 C ATOM 1735 CD GLU B 10 4.999 -9.223 6.635 1.00 0.55 C ATOM 1736 OE1 GLU B 10 4.531 -10.336 6.313 1.00 1.26 O ATOM 1737 OE2 GLU B 10 5.528 -8.999 7.743 1.00 1.16 O ATOM 0 H GLU B 10 5.077 -5.936 4.725 1.00 0.38 H new ATOM 0 HA GLU B 10 2.292 -6.217 4.512 1.00 0.39 H new ATOM 0 HB2 GLU B 10 2.823 -8.455 5.699 1.00 0.45 H new ATOM 0 HB3 GLU B 10 3.450 -8.150 4.091 1.00 0.45 H new ATOM 0 HG2 GLU B 10 5.568 -8.318 4.783 1.00 0.45 H new ATOM 0 HG3 GLU B 10 5.310 -7.179 6.089 1.00 0.45 H new ATOM 1744 N ALA B 11 3.479 -5.707 7.530 1.00 0.39 N ATOM 1745 CA ALA B 11 3.094 -5.341 8.883 1.00 0.39 C ATOM 1746 C ALA B 11 2.108 -4.188 8.823 1.00 0.36 C ATOM 1747 O ALA B 11 1.240 -4.044 9.685 1.00 0.39 O ATOM 1748 CB ALA B 11 4.313 -4.958 9.707 1.00 0.42 C ATOM 0 H ALA B 11 4.481 -5.664 7.345 1.00 0.39 H new ATOM 0 HA ALA B 11 2.624 -6.197 9.366 1.00 0.39 H new ATOM 0 HB1 ALA B 11 4.000 -4.688 10.716 1.00 0.42 H new ATOM 0 HB2 ALA B 11 5.000 -5.803 9.754 1.00 0.42 H new ATOM 0 HB3 ALA B 11 4.814 -4.108 9.243 1.00 0.42 H new ATOM 1754 N ALA B 12 2.254 -3.367 7.786 1.00 0.33 N ATOM 1755 CA ALA B 12 1.372 -2.235 7.578 1.00 0.32 C ATOM 1756 C ALA B 12 0.031 -2.708 7.041 1.00 0.33 C ATOM 1757 O ALA B 12 -0.991 -2.049 7.230 1.00 0.34 O ATOM 1758 CB ALA B 12 2.004 -1.227 6.628 1.00 0.34 C ATOM 0 H ALA B 12 2.980 -3.470 7.077 1.00 0.33 H new ATOM 0 HA ALA B 12 1.210 -1.741 8.536 1.00 0.32 H new ATOM 0 HB1 ALA B 12 1.325 -0.386 6.486 1.00 0.34 H new ATOM 0 HB2 ALA B 12 2.943 -0.869 7.050 1.00 0.34 H new ATOM 0 HB3 ALA B 12 2.197 -1.704 5.667 1.00 0.34 H new ATOM 1764 N ILE B 13 0.038 -3.858 6.365 1.00 0.36 N ATOM 1765 CA ILE B 13 -1.189 -4.414 5.824 1.00 0.40 C ATOM 1766 C ILE B 13 -2.221 -4.558 6.944 1.00 0.39 C ATOM 1767 O ILE B 13 -3.426 -4.465 6.719 1.00 0.42 O ATOM 1768 CB ILE B 13 -0.949 -5.779 5.112 1.00 0.47 C ATOM 1769 CG1 ILE B 13 -1.957 -5.963 3.972 1.00 0.90 C ATOM 1770 CG2 ILE B 13 -1.024 -6.964 6.077 1.00 0.99 C ATOM 1771 CD1 ILE B 13 -3.386 -6.114 4.440 1.00 2.05 C ATOM 0 H ILE B 13 0.874 -4.413 6.184 1.00 0.36 H new ATOM 0 HA ILE B 13 -1.568 -3.728 5.067 1.00 0.40 H new ATOM 0 HB ILE B 13 0.063 -5.757 4.708 1.00 0.47 H new ATOM 0 HG12 ILE B 13 -1.893 -5.106 3.301 1.00 0.90 H new ATOM 0 HG13 ILE B 13 -1.679 -6.843 3.392 1.00 0.90 H new ATOM 0 HG21 ILE B 13 -0.850 -7.890 5.530 1.00 0.99 H new ATOM 0 HG22 ILE B 13 -0.265 -6.851 6.851 1.00 0.99 H new ATOM 0 HG23 ILE B 13 -2.011 -6.995 6.539 1.00 0.99 H new ATOM 0 HD11 ILE B 13 -4.040 -6.240 3.577 1.00 2.05 H new ATOM 0 HD12 ILE B 13 -3.467 -6.988 5.087 1.00 2.05 H new ATOM 0 HD13 ILE B 13 -3.683 -5.224 4.994 1.00 2.05 H new ATOM 1783 N GLU B 14 -1.714 -4.772 8.161 1.00 0.39 N ATOM 1784 CA GLU B 14 -2.555 -4.936 9.339 1.00 0.42 C ATOM 1785 C GLU B 14 -3.349 -3.670 9.641 1.00 0.38 C ATOM 1786 O GLU B 14 -4.521 -3.745 10.011 1.00 0.46 O ATOM 1787 CB GLU B 14 -1.699 -5.311 10.552 1.00 0.46 C ATOM 1788 CG GLU B 14 -0.939 -6.616 10.380 1.00 0.79 C ATOM 1789 CD GLU B 14 -1.858 -7.812 10.228 1.00 1.46 C ATOM 1790 OE1 GLU B 14 -2.289 -8.091 9.089 1.00 2.25 O ATOM 1791 OE2 GLU B 14 -2.148 -8.472 11.249 1.00 2.02 O ATOM 0 H GLU B 14 -0.714 -4.835 8.352 1.00 0.39 H new ATOM 0 HA GLU B 14 -3.263 -5.738 9.130 1.00 0.42 H new ATOM 0 HB2 GLU B 14 -0.987 -4.509 10.746 1.00 0.46 H new ATOM 0 HB3 GLU B 14 -2.341 -5.387 11.430 1.00 0.46 H new ATOM 0 HG2 GLU B 14 -0.295 -6.544 9.504 1.00 0.79 H new ATOM 0 HG3 GLU B 14 -0.289 -6.769 11.241 1.00 0.79 H new ATOM 1798 N THR B 15 -2.721 -2.505 9.493 1.00 0.30 N ATOM 1799 CA THR B 15 -3.399 -1.259 9.757 1.00 0.28 C ATOM 1800 C THR B 15 -4.486 -1.028 8.722 1.00 0.28 C ATOM 1801 O THR B 15 -5.663 -0.877 9.045 1.00 0.34 O ATOM 1802 CB THR B 15 -2.422 -0.071 9.734 1.00 0.28 C ATOM 1803 OG1 THR B 15 -1.382 -0.266 10.701 1.00 0.29 O ATOM 1804 CG2 THR B 15 -3.147 1.234 10.019 1.00 0.32 C ATOM 0 H THR B 15 -1.751 -2.408 9.193 1.00 0.30 H new ATOM 0 HA THR B 15 -3.839 -1.328 10.752 1.00 0.28 H new ATOM 0 HB THR B 15 -1.983 -0.015 8.738 1.00 0.28 H new ATOM 0 HG1 THR B 15 -0.537 0.084 10.348 1.00 0.29 H new ATOM 0 HG21 THR B 15 -2.434 2.058 9.997 1.00 0.32 H new ATOM 0 HG22 THR B 15 -3.914 1.397 9.262 1.00 0.32 H new ATOM 0 HG23 THR B 15 -3.613 1.184 11.003 1.00 0.32 H new ATOM 1812 N VAL B 16 -4.067 -1.027 7.471 1.00 0.27 N ATOM 1813 CA VAL B 16 -4.961 -0.821 6.342 1.00 0.28 C ATOM 1814 C VAL B 16 -6.056 -1.879 6.289 1.00 0.30 C ATOM 1815 O VAL B 16 -7.187 -1.587 5.898 1.00 0.36 O ATOM 1816 CB VAL B 16 -4.154 -0.850 5.033 1.00 0.30 C ATOM 1817 CG1 VAL B 16 -3.441 -2.185 4.882 1.00 0.33 C ATOM 1818 CG2 VAL B 16 -5.047 -0.581 3.837 1.00 0.33 C ATOM 0 H VAL B 16 -3.093 -1.170 7.205 1.00 0.27 H new ATOM 0 HA VAL B 16 -5.439 0.151 6.467 1.00 0.28 H new ATOM 0 HB VAL B 16 -3.405 -0.059 5.076 1.00 0.30 H new ATOM 0 HG11 VAL B 16 -2.874 -2.191 3.951 1.00 0.33 H new ATOM 0 HG12 VAL B 16 -2.762 -2.332 5.722 1.00 0.33 H new ATOM 0 HG13 VAL B 16 -4.176 -2.990 4.865 1.00 0.33 H new ATOM 0 HG21 VAL B 16 -4.451 -0.607 2.925 1.00 0.33 H new ATOM 0 HG22 VAL B 16 -5.824 -1.343 3.785 1.00 0.33 H new ATOM 0 HG23 VAL B 16 -5.508 0.401 3.941 1.00 0.33 H new ATOM 1828 N VAL B 17 -5.727 -3.102 6.681 1.00 0.31 N ATOM 1829 CA VAL B 17 -6.708 -4.176 6.668 1.00 0.33 C ATOM 1830 C VAL B 17 -7.613 -4.110 7.892 1.00 0.30 C ATOM 1831 O VAL B 17 -8.820 -4.336 7.800 1.00 0.33 O ATOM 1832 CB VAL B 17 -6.043 -5.566 6.600 1.00 0.43 C ATOM 1833 CG1 VAL B 17 -5.340 -5.905 7.907 1.00 0.45 C ATOM 1834 CG2 VAL B 17 -7.074 -6.628 6.252 1.00 0.50 C ATOM 0 H VAL B 17 -4.800 -3.373 7.008 1.00 0.31 H new ATOM 0 HA VAL B 17 -7.307 -4.036 5.768 1.00 0.33 H new ATOM 0 HB VAL B 17 -5.288 -5.543 5.814 1.00 0.43 H new ATOM 0 HG11 VAL B 17 -4.881 -6.891 7.828 1.00 0.45 H new ATOM 0 HG12 VAL B 17 -4.570 -5.161 8.109 1.00 0.45 H new ATOM 0 HG13 VAL B 17 -6.065 -5.907 8.721 1.00 0.45 H new ATOM 0 HG21 VAL B 17 -6.590 -7.604 6.207 1.00 0.50 H new ATOM 0 HG22 VAL B 17 -7.852 -6.643 7.015 1.00 0.50 H new ATOM 0 HG23 VAL B 17 -7.519 -6.399 5.284 1.00 0.50 H new ATOM 1844 N SER B 18 -7.018 -3.797 9.038 1.00 0.33 N ATOM 1845 CA SER B 18 -7.762 -3.713 10.288 1.00 0.40 C ATOM 1846 C SER B 18 -8.498 -2.383 10.432 1.00 0.44 C ATOM 1847 O SER B 18 -9.316 -2.220 11.333 1.00 0.59 O ATOM 1848 CB SER B 18 -6.823 -3.919 11.478 1.00 0.51 C ATOM 1849 OG SER B 18 -6.179 -5.179 11.408 1.00 1.32 O ATOM 0 H SER B 18 -6.022 -3.597 9.126 1.00 0.33 H new ATOM 0 HA SER B 18 -8.511 -4.505 10.271 1.00 0.40 H new ATOM 0 HB2 SER B 18 -6.076 -3.126 11.497 1.00 0.51 H new ATOM 0 HB3 SER B 18 -7.388 -3.847 12.407 1.00 0.51 H new ATOM 0 HG SER B 18 -5.367 -5.102 10.865 1.00 1.32 H new ATOM 1855 N THR B 19 -8.165 -1.408 9.597 1.00 0.37 N ATOM 1856 CA THR B 19 -8.841 -0.114 9.660 1.00 0.45 C ATOM 1857 C THR B 19 -10.131 -0.068 8.841 1.00 0.46 C ATOM 1858 O THR B 19 -11.215 -0.361 9.346 1.00 0.53 O ATOM 1859 CB THR B 19 -7.927 1.059 9.243 1.00 0.45 C ATOM 1860 OG1 THR B 19 -7.409 0.861 7.917 1.00 0.42 O ATOM 1861 CG2 THR B 19 -6.783 1.231 10.229 1.00 0.49 C ATOM 0 H THR B 19 -7.444 -1.482 8.879 1.00 0.37 H new ATOM 0 HA THR B 19 -9.102 0.005 10.712 1.00 0.45 H new ATOM 0 HB THR B 19 -8.530 1.967 9.248 1.00 0.45 H new ATOM 0 HG1 THR B 19 -6.786 0.104 7.919 1.00 0.42 H new ATOM 0 HG21 THR B 19 -6.153 2.063 9.914 1.00 0.49 H new ATOM 0 HG22 THR B 19 -7.185 1.436 11.221 1.00 0.49 H new ATOM 0 HG23 THR B 19 -6.189 0.318 10.260 1.00 0.49 H new ATOM 1869 N PHE B 20 -9.994 0.301 7.569 1.00 0.45 N ATOM 1870 CA PHE B 20 -11.133 0.449 6.669 1.00 0.53 C ATOM 1871 C PHE B 20 -11.616 -0.877 6.113 1.00 0.53 C ATOM 1872 O PHE B 20 -12.819 -1.114 5.999 1.00 0.68 O ATOM 1873 CB PHE B 20 -10.730 1.404 5.537 1.00 0.60 C ATOM 1874 CG PHE B 20 -11.608 1.364 4.316 1.00 0.72 C ATOM 1875 CD1 PHE B 20 -12.975 1.556 4.415 1.00 1.59 C ATOM 1876 CD2 PHE B 20 -11.053 1.135 3.068 1.00 1.26 C ATOM 1877 CE1 PHE B 20 -13.773 1.519 3.288 1.00 1.77 C ATOM 1878 CE2 PHE B 20 -11.845 1.098 1.940 1.00 1.37 C ATOM 1879 CZ PHE B 20 -13.206 1.289 2.049 1.00 1.18 C ATOM 0 H PHE B 20 -9.093 0.505 7.136 1.00 0.45 H new ATOM 0 HA PHE B 20 -11.971 0.858 7.233 1.00 0.53 H new ATOM 0 HB2 PHE B 20 -10.726 2.422 5.927 1.00 0.60 H new ATOM 0 HB3 PHE B 20 -9.708 1.173 5.237 1.00 0.60 H new ATOM 0 HD1 PHE B 20 -13.422 1.736 5.382 1.00 1.59 H new ATOM 0 HD2 PHE B 20 -9.988 0.984 2.977 1.00 1.26 H new ATOM 0 HE1 PHE B 20 -14.839 1.670 3.375 1.00 1.77 H new ATOM 0 HE2 PHE B 20 -11.400 0.920 0.972 1.00 1.37 H new ATOM 0 HZ PHE B 20 -13.828 1.259 1.167 1.00 1.18 H new ATOM 1889 N PHE B 21 -10.685 -1.733 5.768 1.00 0.44 N ATOM 1890 CA PHE B 21 -11.024 -3.009 5.197 1.00 0.47 C ATOM 1891 C PHE B 21 -11.880 -3.855 6.130 1.00 0.49 C ATOM 1892 O PHE B 21 -12.489 -4.833 5.706 1.00 0.63 O ATOM 1893 CB PHE B 21 -9.745 -3.747 4.802 1.00 0.47 C ATOM 1894 CG PHE B 21 -8.889 -3.028 3.794 1.00 0.45 C ATOM 1895 CD1 PHE B 21 -9.311 -1.846 3.208 1.00 1.15 C ATOM 1896 CD2 PHE B 21 -7.646 -3.530 3.452 1.00 1.39 C ATOM 1897 CE1 PHE B 21 -8.510 -1.188 2.300 1.00 1.13 C ATOM 1898 CE2 PHE B 21 -6.842 -2.874 2.549 1.00 1.44 C ATOM 1899 CZ PHE B 21 -7.273 -1.699 1.970 1.00 0.53 C ATOM 0 H PHE B 21 -9.684 -1.566 5.874 1.00 0.44 H new ATOM 0 HA PHE B 21 -11.628 -2.830 4.308 1.00 0.47 H new ATOM 0 HB2 PHE B 21 -9.153 -3.926 5.700 1.00 0.47 H new ATOM 0 HB3 PHE B 21 -10.015 -4.723 4.399 1.00 0.47 H new ATOM 0 HD1 PHE B 21 -10.277 -1.436 3.465 1.00 1.15 H new ATOM 0 HD2 PHE B 21 -7.302 -4.450 3.900 1.00 1.39 H new ATOM 0 HE1 PHE B 21 -8.852 -0.270 1.846 1.00 1.13 H new ATOM 0 HE2 PHE B 21 -5.874 -3.279 2.294 1.00 1.44 H new ATOM 0 HZ PHE B 21 -6.644 -1.181 1.261 1.00 0.53 H new ATOM 1909 N THR B 22 -11.937 -3.486 7.396 1.00 0.48 N ATOM 1910 CA THR B 22 -12.758 -4.224 8.340 1.00 0.54 C ATOM 1911 C THR B 22 -14.221 -4.199 7.912 1.00 0.48 C ATOM 1912 O THR B 22 -15.027 -5.011 8.366 1.00 0.53 O ATOM 1913 CB THR B 22 -12.629 -3.655 9.754 1.00 0.65 C ATOM 1914 OG1 THR B 22 -13.091 -2.303 9.787 1.00 0.66 O ATOM 1915 CG2 THR B 22 -11.188 -3.711 10.197 1.00 0.81 C ATOM 0 H THR B 22 -11.433 -2.692 7.791 1.00 0.48 H new ATOM 0 HA THR B 22 -12.402 -5.254 8.347 1.00 0.54 H new ATOM 0 HB THR B 22 -13.239 -4.253 10.431 1.00 0.65 H new ATOM 0 HG1 THR B 22 -12.367 -1.703 9.510 1.00 0.66 H new ATOM 0 HG21 THR B 22 -11.101 -3.305 11.205 1.00 0.81 H new ATOM 0 HG22 THR B 22 -10.846 -4.746 10.192 1.00 0.81 H new ATOM 0 HG23 THR B 22 -10.574 -3.123 9.515 1.00 0.81 H new ATOM 1923 N PHE B 23 -14.556 -3.257 7.031 1.00 0.49 N ATOM 1924 CA PHE B 23 -15.913 -3.124 6.538 1.00 0.51 C ATOM 1925 C PHE B 23 -16.333 -4.366 5.756 1.00 0.44 C ATOM 1926 O PHE B 23 -17.519 -4.589 5.526 1.00 0.46 O ATOM 1927 CB PHE B 23 -16.036 -1.804 5.752 1.00 0.68 C ATOM 1928 CG PHE B 23 -16.171 -1.860 4.251 1.00 0.61 C ATOM 1929 CD1 PHE B 23 -17.193 -2.543 3.605 1.00 1.48 C ATOM 1930 CD2 PHE B 23 -15.267 -1.156 3.484 1.00 1.46 C ATOM 1931 CE1 PHE B 23 -17.290 -2.522 2.233 1.00 1.88 C ATOM 1932 CE2 PHE B 23 -15.364 -1.128 2.117 1.00 1.93 C ATOM 1933 CZ PHE B 23 -16.375 -1.814 1.493 1.00 1.83 C ATOM 0 H PHE B 23 -13.900 -2.577 6.648 1.00 0.49 H new ATOM 0 HA PHE B 23 -16.619 -3.065 7.367 1.00 0.51 H new ATOM 0 HB2 PHE B 23 -16.902 -1.268 6.141 1.00 0.68 H new ATOM 0 HB3 PHE B 23 -15.158 -1.200 5.982 1.00 0.68 H new ATOM 0 HD1 PHE B 23 -17.918 -3.095 4.185 1.00 1.48 H new ATOM 0 HD2 PHE B 23 -14.467 -0.616 3.970 1.00 1.46 H new ATOM 0 HE1 PHE B 23 -18.084 -3.061 1.739 1.00 1.88 H new ATOM 0 HE2 PHE B 23 -14.648 -0.568 1.534 1.00 1.93 H new ATOM 0 HZ PHE B 23 -16.452 -1.797 0.416 1.00 1.83 H new ATOM 1943 N ALA B 24 -15.355 -5.216 5.410 1.00 0.51 N ATOM 1944 CA ALA B 24 -15.632 -6.467 4.695 1.00 0.59 C ATOM 1945 C ALA B 24 -16.882 -7.142 5.242 1.00 0.61 C ATOM 1946 O ALA B 24 -17.765 -7.558 4.492 1.00 0.67 O ATOM 1947 CB ALA B 24 -14.453 -7.415 4.822 1.00 0.71 C ATOM 0 H ALA B 24 -14.368 -5.059 5.614 1.00 0.51 H new ATOM 0 HA ALA B 24 -15.795 -6.224 3.645 1.00 0.59 H new ATOM 0 HB1 ALA B 24 -14.670 -8.340 4.287 1.00 0.71 H new ATOM 0 HB2 ALA B 24 -13.564 -6.950 4.396 1.00 0.71 H new ATOM 0 HB3 ALA B 24 -14.277 -7.637 5.874 1.00 0.71 H new ATOM 1953 N GLY B 25 -16.934 -7.245 6.566 1.00 0.71 N ATOM 1954 CA GLY B 25 -18.077 -7.832 7.242 1.00 0.85 C ATOM 1955 C GLY B 25 -19.406 -7.465 6.602 1.00 0.74 C ATOM 1956 O GLY B 25 -20.375 -8.215 6.726 1.00 0.82 O ATOM 0 H GLY B 25 -16.193 -6.927 7.191 1.00 0.71 H new ATOM 0 HA2 GLY B 25 -17.971 -8.917 7.246 1.00 0.85 H new ATOM 0 HA3 GLY B 25 -18.081 -7.508 8.283 1.00 0.85 H new ATOM 1960 N ARG B 26 -19.468 -6.303 5.926 1.00 0.61 N ATOM 1961 CA ARG B 26 -20.691 -5.876 5.230 1.00 0.59 C ATOM 1962 C ARG B 26 -21.325 -7.068 4.531 1.00 0.58 C ATOM 1963 O ARG B 26 -22.521 -7.331 4.659 1.00 0.72 O ATOM 1964 CB ARG B 26 -20.366 -4.795 4.201 1.00 0.61 C ATOM 1965 CG ARG B 26 -20.460 -3.389 4.754 1.00 1.18 C ATOM 1966 CD ARG B 26 -21.905 -2.961 4.946 1.00 0.96 C ATOM 1967 NE ARG B 26 -22.029 -1.860 5.897 1.00 1.55 N ATOM 1968 CZ ARG B 26 -23.045 -1.002 5.910 1.00 1.95 C ATOM 1969 NH1 ARG B 26 -24.033 -1.120 5.031 1.00 2.01 N ATOM 1970 NH2 ARG B 26 -23.077 -0.025 6.806 1.00 2.82 N ATOM 0 H ARG B 26 -18.690 -5.648 5.848 1.00 0.61 H new ATOM 0 HA ARG B 26 -21.388 -5.469 5.963 1.00 0.59 H new ATOM 0 HB2 ARG B 26 -19.359 -4.960 3.818 1.00 0.61 H new ATOM 0 HB3 ARG B 26 -21.048 -4.891 3.356 1.00 0.61 H new ATOM 0 HG2 ARG B 26 -19.934 -3.336 5.707 1.00 1.18 H new ATOM 0 HG3 ARG B 26 -19.961 -2.696 4.076 1.00 1.18 H new ATOM 0 HD2 ARG B 26 -22.324 -2.659 3.986 1.00 0.96 H new ATOM 0 HD3 ARG B 26 -22.491 -3.811 5.297 1.00 0.96 H new ATOM 0 HE ARG B 26 -21.293 -1.742 6.593 1.00 1.55 H new ATOM 0 HH11 ARG B 26 -24.015 -1.871 4.341 1.00 2.01 H new ATOM 0 HH12 ARG B 26 -24.810 -0.459 5.045 1.00 2.01 H new ATOM 0 HH21 ARG B 26 -22.322 0.069 7.486 1.00 2.82 H new ATOM 0 HH22 ARG B 26 -23.856 0.633 6.816 1.00 2.82 H new ATOM 1984 N GLU B 27 -20.491 -7.779 3.792 1.00 0.50 N ATOM 1985 CA GLU B 27 -20.923 -8.995 3.106 1.00 0.57 C ATOM 1986 C GLU B 27 -20.822 -10.192 4.055 1.00 0.80 C ATOM 1987 O GLU B 27 -19.754 -10.488 4.591 1.00 1.26 O ATOM 1988 CB GLU B 27 -20.069 -9.260 1.866 1.00 0.97 C ATOM 1989 CG GLU B 27 -20.231 -8.219 0.773 1.00 0.85 C ATOM 1990 CD GLU B 27 -19.539 -8.624 -0.513 1.00 1.10 C ATOM 1991 OE1 GLU B 27 -18.304 -8.457 -0.600 1.00 1.63 O ATOM 1992 OE2 GLU B 27 -20.230 -9.109 -1.433 1.00 1.79 O ATOM 0 H GLU B 27 -19.510 -7.539 3.649 1.00 0.50 H new ATOM 0 HA GLU B 27 -21.958 -8.856 2.793 1.00 0.57 H new ATOM 0 HB2 GLU B 27 -19.021 -9.302 2.161 1.00 0.97 H new ATOM 0 HB3 GLU B 27 -20.326 -10.239 1.462 1.00 0.97 H new ATOM 0 HG2 GLU B 27 -21.292 -8.062 0.578 1.00 0.85 H new ATOM 0 HG3 GLU B 27 -19.826 -7.268 1.117 1.00 0.85 H new ATOM 1999 N GLY B 28 -21.947 -10.874 4.253 1.00 1.32 N ATOM 2000 CA GLY B 28 -21.995 -12.019 5.151 1.00 1.87 C ATOM 2001 C GLY B 28 -20.791 -12.932 5.054 1.00 1.35 C ATOM 2002 O GLY B 28 -19.935 -12.937 5.940 1.00 1.58 O ATOM 0 H GLY B 28 -22.835 -10.652 3.803 1.00 1.32 H new ATOM 0 HA2 GLY B 28 -22.083 -11.660 6.176 1.00 1.87 H new ATOM 0 HA3 GLY B 28 -22.894 -12.597 4.937 1.00 1.87 H new ATOM 2006 N ARG B 29 -20.727 -13.709 3.979 1.00 1.15 N ATOM 2007 CA ARG B 29 -19.633 -14.656 3.772 1.00 1.06 C ATOM 2008 C ARG B 29 -18.280 -14.064 4.173 1.00 1.14 C ATOM 2009 O ARG B 29 -18.124 -12.845 4.257 1.00 1.74 O ATOM 2010 CB ARG B 29 -19.595 -15.105 2.309 1.00 1.38 C ATOM 2011 CG ARG B 29 -18.520 -16.140 2.013 1.00 1.76 C ATOM 2012 CD ARG B 29 -18.754 -17.429 2.784 1.00 2.36 C ATOM 2013 NE ARG B 29 -19.955 -18.128 2.333 1.00 2.88 N ATOM 2014 CZ ARG B 29 -20.363 -19.289 2.836 1.00 3.58 C ATOM 2015 NH1 ARG B 29 -19.674 -19.874 3.805 1.00 3.91 N ATOM 2016 NH2 ARG B 29 -21.462 -19.866 2.369 1.00 4.30 N ATOM 0 H ARG B 29 -21.422 -13.703 3.233 1.00 1.15 H new ATOM 0 HA ARG B 29 -19.819 -15.517 4.413 1.00 1.06 H new ATOM 0 HB2 ARG B 29 -20.567 -15.517 2.040 1.00 1.38 H new ATOM 0 HB3 ARG B 29 -19.432 -14.233 1.675 1.00 1.38 H new ATOM 0 HG2 ARG B 29 -18.504 -16.353 0.944 1.00 1.76 H new ATOM 0 HG3 ARG B 29 -17.542 -15.734 2.272 1.00 1.76 H new ATOM 0 HD2 ARG B 29 -17.889 -18.083 2.668 1.00 2.36 H new ATOM 0 HD3 ARG B 29 -18.843 -17.204 3.847 1.00 2.36 H new ATOM 0 HE ARG B 29 -20.511 -17.702 1.592 1.00 2.88 H new ATOM 0 HH11 ARG B 29 -18.828 -19.434 4.167 1.00 3.91 H new ATOM 0 HH12 ARG B 29 -19.989 -20.765 4.189 1.00 3.91 H new ATOM 0 HH21 ARG B 29 -21.995 -19.419 1.623 1.00 4.30 H new ATOM 0 HH22 ARG B 29 -21.774 -20.757 2.756 1.00 4.30 H new ATOM 2030 N LYS B 30 -17.310 -14.939 4.420 1.00 1.05 N ATOM 2031 CA LYS B 30 -15.969 -14.515 4.811 1.00 1.49 C ATOM 2032 C LYS B 30 -15.046 -14.531 3.601 1.00 1.34 C ATOM 2033 O LYS B 30 -13.931 -15.050 3.661 1.00 1.66 O ATOM 2034 CB LYS B 30 -15.402 -15.453 5.879 1.00 2.04 C ATOM 2035 CG LYS B 30 -16.413 -15.859 6.939 1.00 2.66 C ATOM 2036 CD LYS B 30 -15.809 -16.837 7.934 1.00 3.51 C ATOM 2037 CE LYS B 30 -16.824 -17.265 8.982 1.00 4.01 C ATOM 2038 NZ LYS B 30 -16.246 -18.238 9.951 1.00 4.78 N ATOM 0 H LYS B 30 -17.428 -15.950 4.356 1.00 1.05 H new ATOM 0 HA LYS B 30 -16.033 -13.505 5.215 1.00 1.49 H new ATOM 0 HB2 LYS B 30 -15.018 -16.350 5.394 1.00 2.04 H new ATOM 0 HB3 LYS B 30 -14.556 -14.966 6.365 1.00 2.04 H new ATOM 0 HG2 LYS B 30 -16.766 -14.973 7.466 1.00 2.66 H new ATOM 0 HG3 LYS B 30 -17.281 -16.313 6.461 1.00 2.66 H new ATOM 0 HD2 LYS B 30 -15.440 -17.715 7.404 1.00 3.51 H new ATOM 0 HD3 LYS B 30 -14.951 -16.376 8.424 1.00 3.51 H new ATOM 0 HE2 LYS B 30 -17.183 -16.387 9.519 1.00 4.01 H new ATOM 0 HE3 LYS B 30 -17.687 -17.712 8.490 1.00 4.01 H new ATOM 0 HZ1 LYS B 30 -16.970 -18.505 10.649 1.00 4.78 H new ATOM 0 HZ2 LYS B 30 -15.926 -19.087 9.442 1.00 4.78 H new ATOM 0 HZ3 LYS B 30 -15.438 -17.803 10.440 1.00 4.78 H new ATOM 2052 N GLY B 31 -15.519 -13.959 2.505 1.00 0.96 N ATOM 2053 CA GLY B 31 -14.725 -13.906 1.294 1.00 0.88 C ATOM 2054 C GLY B 31 -14.053 -12.591 1.166 1.00 0.81 C ATOM 2055 O GLY B 31 -12.877 -12.482 1.446 1.00 0.85 O ATOM 0 H GLY B 31 -16.441 -13.529 2.432 1.00 0.96 H new ATOM 0 HA2 GLY B 31 -13.980 -14.701 1.307 1.00 0.88 H new ATOM 0 HA3 GLY B 31 -15.362 -14.080 0.427 1.00 0.88 H new ATOM 2059 N SER B 32 -14.766 -11.587 0.733 1.00 0.74 N ATOM 2060 CA SER B 32 -14.149 -10.296 0.586 1.00 0.71 C ATOM 2061 C SER B 32 -15.067 -9.173 0.999 1.00 0.70 C ATOM 2062 O SER B 32 -16.224 -9.371 1.370 1.00 0.75 O ATOM 2063 CB SER B 32 -13.660 -10.101 -0.854 1.00 0.69 C ATOM 2064 OG SER B 32 -13.417 -8.737 -1.154 1.00 1.09 O ATOM 0 H SER B 32 -15.753 -11.634 0.481 1.00 0.74 H new ATOM 0 HA SER B 32 -13.291 -10.265 1.258 1.00 0.71 H new ATOM 0 HB2 SER B 32 -12.745 -10.674 -1.007 1.00 0.69 H new ATOM 0 HB3 SER B 32 -14.403 -10.497 -1.546 1.00 0.69 H new ATOM 0 HG SER B 32 -12.488 -8.514 -0.935 1.00 1.09 H new ATOM 2070 N LEU B 33 -14.506 -7.998 0.923 1.00 0.72 N ATOM 2071 CA LEU B 33 -15.187 -6.768 1.248 1.00 0.74 C ATOM 2072 C LEU B 33 -15.742 -6.185 -0.027 1.00 0.57 C ATOM 2073 O LEU B 33 -15.250 -6.517 -1.093 1.00 0.53 O ATOM 2074 CB LEU B 33 -14.181 -5.826 1.864 1.00 1.00 C ATOM 2075 CG LEU B 33 -14.509 -4.338 1.831 1.00 1.19 C ATOM 2076 CD1 LEU B 33 -13.892 -3.654 3.039 1.00 1.93 C ATOM 2077 CD2 LEU B 33 -13.999 -3.716 0.535 1.00 1.69 C ATOM 0 H LEU B 33 -13.540 -7.862 0.627 1.00 0.72 H new ATOM 0 HA LEU B 33 -16.003 -6.936 1.950 1.00 0.74 H new ATOM 0 HB2 LEU B 33 -14.038 -6.117 2.905 1.00 1.00 H new ATOM 0 HB3 LEU B 33 -13.227 -5.973 1.358 1.00 1.00 H new ATOM 0 HG LEU B 33 -15.590 -4.204 1.868 1.00 1.19 H new ATOM 0 HD11 LEU B 33 -14.127 -2.590 3.014 1.00 1.93 H new ATOM 0 HD12 LEU B 33 -14.295 -4.094 3.951 1.00 1.93 H new ATOM 0 HD13 LEU B 33 -12.810 -3.787 3.019 1.00 1.93 H new ATOM 0 HD21 LEU B 33 -14.239 -2.653 0.523 1.00 1.69 H new ATOM 0 HD22 LEU B 33 -12.919 -3.845 0.470 1.00 1.69 H new ATOM 0 HD23 LEU B 33 -14.474 -4.205 -0.315 1.00 1.69 H new ATOM 2089 N ASN B 34 -16.780 -5.357 0.034 1.00 0.57 N ATOM 2090 CA ASN B 34 -17.325 -4.849 -1.203 1.00 0.47 C ATOM 2091 C ASN B 34 -17.181 -3.338 -1.298 1.00 0.41 C ATOM 2092 O ASN B 34 -16.070 -2.821 -1.272 1.00 0.56 O ATOM 2093 CB ASN B 34 -18.768 -5.344 -1.346 1.00 0.56 C ATOM 2094 CG ASN B 34 -19.278 -5.264 -2.770 1.00 1.38 C ATOM 2095 OD1 ASN B 34 -19.876 -4.270 -3.174 1.00 2.13 O ATOM 2096 ND2 ASN B 34 -19.044 -6.320 -3.540 1.00 2.12 N ATOM 0 H ASN B 34 -17.238 -5.039 0.888 1.00 0.57 H new ATOM 0 HA ASN B 34 -16.757 -5.234 -2.050 1.00 0.47 H new ATOM 0 HB2 ASN B 34 -18.829 -6.376 -1.001 1.00 0.56 H new ATOM 0 HB3 ASN B 34 -19.416 -4.752 -0.699 1.00 0.56 H new ATOM 0 HD21 ASN B 34 -19.365 -6.326 -4.508 1.00 2.12 H new ATOM 0 HD22 ASN B 34 -18.543 -7.125 -3.163 1.00 2.12 H new ATOM 2103 N ILE B 35 -18.270 -2.636 -1.485 1.00 0.53 N ATOM 2104 CA ILE B 35 -18.213 -1.191 -1.553 1.00 0.54 C ATOM 2105 C ILE B 35 -19.395 -0.555 -0.850 1.00 0.56 C ATOM 2106 O ILE B 35 -19.884 0.494 -1.258 1.00 0.63 O ATOM 2107 CB ILE B 35 -18.114 -0.662 -2.994 1.00 0.60 C ATOM 2108 CG1 ILE B 35 -18.820 -1.604 -3.971 1.00 0.70 C ATOM 2109 CG2 ILE B 35 -16.654 -0.468 -3.375 1.00 0.66 C ATOM 2110 CD1 ILE B 35 -20.308 -1.710 -3.733 1.00 1.04 C ATOM 0 H ILE B 35 -19.203 -3.035 -1.593 1.00 0.53 H new ATOM 0 HA ILE B 35 -17.297 -0.906 -1.036 1.00 0.54 H new ATOM 0 HB ILE B 35 -18.617 0.303 -3.049 1.00 0.60 H new ATOM 0 HG12 ILE B 35 -18.646 -1.256 -4.989 1.00 0.70 H new ATOM 0 HG13 ILE B 35 -18.375 -2.596 -3.893 1.00 0.70 H new ATOM 0 HG21 ILE B 35 -16.591 -0.093 -4.397 1.00 0.66 H new ATOM 0 HG22 ILE B 35 -16.193 0.250 -2.696 1.00 0.66 H new ATOM 0 HG23 ILE B 35 -16.130 -1.421 -3.305 1.00 0.66 H new ATOM 0 HD11 ILE B 35 -20.745 -2.394 -4.461 1.00 1.04 H new ATOM 0 HD12 ILE B 35 -20.490 -2.087 -2.726 1.00 1.04 H new ATOM 0 HD13 ILE B 35 -20.765 -0.726 -3.840 1.00 1.04 H new ATOM 2122 N ASN B 36 -19.858 -1.206 0.207 1.00 0.59 N ATOM 2123 CA ASN B 36 -20.959 -0.685 0.991 1.00 0.63 C ATOM 2124 C ASN B 36 -20.415 0.353 1.932 1.00 0.59 C ATOM 2125 O ASN B 36 -20.777 1.524 1.851 1.00 0.59 O ATOM 2126 CB ASN B 36 -21.674 -1.790 1.766 1.00 0.70 C ATOM 2127 CG ASN B 36 -22.141 -2.926 0.876 1.00 1.34 C ATOM 2128 OD1 ASN B 36 -22.148 -4.086 1.287 1.00 2.16 O ATOM 2129 ND2 ASN B 36 -22.541 -2.600 -0.348 1.00 1.90 N ATOM 0 H ASN B 36 -19.486 -2.096 0.539 1.00 0.59 H new ATOM 0 HA ASN B 36 -21.697 -0.242 0.322 1.00 0.63 H new ATOM 0 HB2 ASN B 36 -21.003 -2.185 2.529 1.00 0.70 H new ATOM 0 HB3 ASN B 36 -22.533 -1.365 2.286 1.00 0.70 H new ATOM 0 HD21 ASN B 36 -22.870 -3.324 -0.987 1.00 1.90 H new ATOM 0 HD22 ASN B 36 -22.519 -1.626 -0.649 1.00 1.90 H new ATOM 2136 N GLU B 37 -19.556 -0.058 2.852 1.00 0.58 N ATOM 2137 CA GLU B 37 -18.964 0.942 3.716 1.00 0.56 C ATOM 2138 C GLU B 37 -17.915 1.718 2.948 1.00 0.50 C ATOM 2139 O GLU B 37 -17.553 2.815 3.346 1.00 0.53 O ATOM 2140 CB GLU B 37 -18.366 0.364 4.967 1.00 0.68 C ATOM 2141 CG GLU B 37 -19.167 -0.786 5.532 1.00 0.76 C ATOM 2142 CD GLU B 37 -19.118 -0.841 7.046 1.00 0.77 C ATOM 2143 OE1 GLU B 37 -19.708 0.051 7.691 1.00 1.28 O ATOM 2144 OE2 GLU B 37 -18.493 -1.777 7.586 1.00 1.41 O ATOM 0 H GLU B 37 -19.267 -1.023 3.014 1.00 0.58 H new ATOM 0 HA GLU B 37 -19.768 1.605 4.036 1.00 0.56 H new ATOM 0 HB2 GLU B 37 -17.353 0.023 4.754 1.00 0.68 H new ATOM 0 HB3 GLU B 37 -18.287 1.148 5.720 1.00 0.68 H new ATOM 0 HG2 GLU B 37 -20.204 -0.695 5.209 1.00 0.76 H new ATOM 0 HG3 GLU B 37 -18.787 -1.723 5.125 1.00 0.76 H new ATOM 2151 N PHE B 38 -17.396 1.148 1.849 1.00 0.47 N ATOM 2152 CA PHE B 38 -16.448 1.877 1.019 1.00 0.43 C ATOM 2153 C PHE B 38 -17.075 3.228 0.689 1.00 0.45 C ATOM 2154 O PHE B 38 -16.394 4.236 0.515 1.00 0.46 O ATOM 2155 CB PHE B 38 -16.161 1.102 -0.271 1.00 0.43 C ATOM 2156 CG PHE B 38 -15.013 1.642 -1.076 1.00 0.41 C ATOM 2157 CD1 PHE B 38 -15.076 2.908 -1.627 1.00 1.30 C ATOM 2158 CD2 PHE B 38 -13.877 0.879 -1.287 1.00 1.21 C ATOM 2159 CE1 PHE B 38 -14.027 3.408 -2.374 1.00 1.32 C ATOM 2160 CE2 PHE B 38 -12.822 1.373 -2.033 1.00 1.21 C ATOM 2161 CZ PHE B 38 -12.897 2.640 -2.577 1.00 0.46 C ATOM 0 H PHE B 38 -17.616 0.206 1.527 1.00 0.47 H new ATOM 0 HA PHE B 38 -15.503 2.008 1.546 1.00 0.43 H new ATOM 0 HB2 PHE B 38 -15.954 0.062 -0.018 1.00 0.43 H new ATOM 0 HB3 PHE B 38 -17.058 1.107 -0.891 1.00 0.43 H new ATOM 0 HD1 PHE B 38 -15.956 3.514 -1.472 1.00 1.30 H new ATOM 0 HD2 PHE B 38 -13.814 -0.113 -0.864 1.00 1.21 H new ATOM 0 HE1 PHE B 38 -14.090 4.399 -2.799 1.00 1.32 H new ATOM 0 HE2 PHE B 38 -11.941 0.769 -2.190 1.00 1.21 H new ATOM 0 HZ PHE B 38 -12.075 3.029 -3.159 1.00 0.46 H new ATOM 2171 N LYS B 39 -18.412 3.218 0.648 1.00 0.49 N ATOM 2172 CA LYS B 39 -19.199 4.410 0.392 1.00 0.53 C ATOM 2173 C LYS B 39 -18.932 5.472 1.454 1.00 0.54 C ATOM 2174 O LYS B 39 -19.342 6.625 1.318 1.00 0.58 O ATOM 2175 CB LYS B 39 -20.667 4.033 0.335 1.00 0.62 C ATOM 2176 CG LYS B 39 -20.909 2.911 -0.643 1.00 0.68 C ATOM 2177 CD LYS B 39 -21.853 3.333 -1.756 1.00 0.70 C ATOM 2178 CE LYS B 39 -22.364 2.134 -2.535 1.00 1.49 C ATOM 2179 NZ LYS B 39 -23.216 2.541 -3.687 1.00 1.82 N ATOM 0 H LYS B 39 -18.971 2.377 0.793 1.00 0.49 H new ATOM 0 HA LYS B 39 -18.911 4.840 -0.568 1.00 0.53 H new ATOM 0 HB2 LYS B 39 -21.006 3.733 1.327 1.00 0.62 H new ATOM 0 HB3 LYS B 39 -21.257 4.903 0.046 1.00 0.62 H new ATOM 0 HG2 LYS B 39 -19.960 2.591 -1.072 1.00 0.68 H new ATOM 0 HG3 LYS B 39 -21.327 2.053 -0.117 1.00 0.68 H new ATOM 0 HD2 LYS B 39 -22.696 3.879 -1.332 1.00 0.70 H new ATOM 0 HD3 LYS B 39 -21.338 4.015 -2.432 1.00 0.70 H new ATOM 0 HE2 LYS B 39 -21.518 1.550 -2.898 1.00 1.49 H new ATOM 0 HE3 LYS B 39 -22.937 1.487 -1.871 1.00 1.49 H new ATOM 0 HZ1 LYS B 39 -23.307 1.745 -4.350 1.00 1.82 H new ATOM 0 HZ2 LYS B 39 -24.159 2.814 -3.342 1.00 1.82 H new ATOM 0 HZ3 LYS B 39 -22.778 3.349 -4.174 1.00 1.82 H new ATOM 2193 N GLU B 40 -18.304 5.055 2.538 1.00 0.53 N ATOM 2194 CA GLU B 40 -17.900 5.958 3.590 1.00 0.57 C ATOM 2195 C GLU B 40 -16.528 6.573 3.247 1.00 0.55 C ATOM 2196 O GLU B 40 -16.021 7.419 3.984 1.00 0.61 O ATOM 2197 CB GLU B 40 -17.880 5.218 4.947 1.00 0.61 C ATOM 2198 CG GLU B 40 -16.524 4.652 5.368 1.00 1.09 C ATOM 2199 CD GLU B 40 -16.494 4.252 6.830 1.00 1.91 C ATOM 2200 OE1 GLU B 40 -16.891 3.110 7.145 1.00 2.42 O ATOM 2201 OE2 GLU B 40 -16.075 5.084 7.663 1.00 2.62 O ATOM 0 H GLU B 40 -18.061 4.079 2.710 1.00 0.53 H new ATOM 0 HA GLU B 40 -18.619 6.773 3.674 1.00 0.57 H new ATOM 0 HB2 GLU B 40 -18.223 5.905 5.721 1.00 0.61 H new ATOM 0 HB3 GLU B 40 -18.599 4.400 4.905 1.00 0.61 H new ATOM 0 HG2 GLU B 40 -16.288 3.784 4.752 1.00 1.09 H new ATOM 0 HG3 GLU B 40 -15.749 5.396 5.181 1.00 1.09 H new ATOM 2208 N LEU B 41 -15.928 6.139 2.119 1.00 0.50 N ATOM 2209 CA LEU B 41 -14.617 6.619 1.709 1.00 0.50 C ATOM 2210 C LEU B 41 -14.723 7.971 1.025 1.00 0.55 C ATOM 2211 O LEU B 41 -14.680 8.995 1.682 1.00 0.63 O ATOM 2212 CB LEU B 41 -13.947 5.622 0.758 1.00 0.46 C ATOM 2213 CG LEU B 41 -13.605 4.247 1.319 1.00 0.44 C ATOM 2214 CD1 LEU B 41 -12.478 3.626 0.503 1.00 0.55 C ATOM 2215 CD2 LEU B 41 -13.226 4.328 2.792 1.00 0.66 C ATOM 0 H LEU B 41 -16.341 5.456 1.484 1.00 0.50 H new ATOM 0 HA LEU B 41 -14.009 6.722 2.608 1.00 0.50 H new ATOM 0 HB2 LEU B 41 -14.602 5.483 -0.102 1.00 0.46 H new ATOM 0 HB3 LEU B 41 -13.027 6.074 0.388 1.00 0.46 H new ATOM 0 HG LEU B 41 -14.489 3.613 1.246 1.00 0.44 H new ATOM 0 HD11 LEU B 41 -12.236 2.643 0.907 1.00 0.55 H new ATOM 0 HD12 LEU B 41 -12.794 3.524 -0.535 1.00 0.55 H new ATOM 0 HD13 LEU B 41 -11.597 4.266 0.553 1.00 0.55 H new ATOM 0 HD21 LEU B 41 -12.988 3.331 3.162 1.00 0.66 H new ATOM 0 HD22 LEU B 41 -12.357 4.976 2.909 1.00 0.66 H new ATOM 0 HD23 LEU B 41 -14.062 4.736 3.361 1.00 0.66 H new ATOM 2227 N ALA B 42 -14.908 7.957 -0.299 1.00 0.55 N ATOM 2228 CA ALA B 42 -14.989 9.176 -1.096 1.00 0.62 C ATOM 2229 C ALA B 42 -15.770 10.259 -0.372 1.00 0.68 C ATOM 2230 O ALA B 42 -15.404 11.425 -0.384 1.00 0.76 O ATOM 2231 CB ALA B 42 -15.623 8.878 -2.427 1.00 0.65 C ATOM 0 H ALA B 42 -15.005 7.100 -0.843 1.00 0.55 H new ATOM 0 HA ALA B 42 -13.976 9.545 -1.255 1.00 0.62 H new ATOM 0 HB1 ALA B 42 -15.680 9.793 -3.016 1.00 0.65 H new ATOM 0 HB2 ALA B 42 -15.022 8.141 -2.959 1.00 0.65 H new ATOM 0 HB3 ALA B 42 -16.627 8.484 -2.272 1.00 0.65 H new ATOM 2237 N THR B 43 -16.828 9.846 0.289 1.00 0.65 N ATOM 2238 CA THR B 43 -17.674 10.767 1.015 1.00 0.73 C ATOM 2239 C THR B 43 -16.859 11.634 1.978 1.00 0.78 C ATOM 2240 O THR B 43 -16.862 12.858 1.882 1.00 0.85 O ATOM 2241 CB THR B 43 -18.767 10.006 1.780 1.00 0.73 C ATOM 2242 OG1 THR B 43 -18.207 8.840 2.410 1.00 0.66 O ATOM 2243 CG2 THR B 43 -19.881 9.595 0.833 1.00 0.76 C ATOM 0 H THR B 43 -17.125 8.871 0.339 1.00 0.65 H new ATOM 0 HA THR B 43 -18.147 11.426 0.287 1.00 0.73 H new ATOM 0 HB THR B 43 -19.179 10.662 2.547 1.00 0.73 H new ATOM 0 HG1 THR B 43 -18.500 8.037 1.931 1.00 0.66 H new ATOM 0 HG21 THR B 43 -20.650 9.056 1.387 1.00 0.76 H new ATOM 0 HG22 THR B 43 -20.318 10.484 0.377 1.00 0.76 H new ATOM 0 HG23 THR B 43 -19.476 8.949 0.054 1.00 0.76 H new ATOM 2251 N GLN B 44 -16.188 10.986 2.917 1.00 0.76 N ATOM 2252 CA GLN B 44 -15.337 11.668 3.892 1.00 0.84 C ATOM 2253 C GLN B 44 -13.992 11.975 3.266 1.00 0.83 C ATOM 2254 O GLN B 44 -13.352 12.981 3.566 1.00 0.92 O ATOM 2255 CB GLN B 44 -15.161 10.761 5.103 1.00 0.87 C ATOM 2256 CG GLN B 44 -16.481 10.303 5.696 1.00 1.54 C ATOM 2257 CD GLN B 44 -16.298 9.434 6.924 1.00 2.04 C ATOM 2258 OE1 GLN B 44 -15.333 9.592 7.672 1.00 2.53 O ATOM 2259 NE2 GLN B 44 -17.227 8.510 7.140 1.00 2.74 N ATOM 0 H GLN B 44 -16.215 9.972 3.029 1.00 0.76 H new ATOM 0 HA GLN B 44 -15.797 12.606 4.203 1.00 0.84 H new ATOM 0 HB2 GLN B 44 -14.576 9.888 4.814 1.00 0.87 H new ATOM 0 HB3 GLN B 44 -14.590 11.289 5.866 1.00 0.87 H new ATOM 0 HG2 GLN B 44 -17.079 11.175 5.959 1.00 1.54 H new ATOM 0 HG3 GLN B 44 -17.040 9.748 4.943 1.00 1.54 H new ATOM 0 HE21 GLN B 44 -18.010 8.414 6.494 1.00 2.74 H new ATOM 0 HE22 GLN B 44 -17.157 7.897 7.952 1.00 2.74 H new ATOM 2268 N GLN B 45 -13.577 11.073 2.402 1.00 0.79 N ATOM 2269 CA GLN B 45 -12.344 11.202 1.669 1.00 0.82 C ATOM 2270 C GLN B 45 -12.363 12.519 0.922 1.00 0.78 C ATOM 2271 O GLN B 45 -11.333 13.168 0.736 1.00 0.79 O ATOM 2272 CB GLN B 45 -12.251 10.056 0.685 1.00 0.93 C ATOM 2273 CG GLN B 45 -11.870 8.741 1.317 1.00 0.95 C ATOM 2274 CD GLN B 45 -10.383 8.550 1.281 1.00 1.37 C ATOM 2275 OE1 GLN B 45 -9.658 9.227 1.999 1.00 2.35 O ATOM 2276 NE2 GLN B 45 -9.925 7.638 0.434 1.00 1.45 N ATOM 0 H GLN B 45 -14.096 10.221 2.189 1.00 0.79 H new ATOM 0 HA GLN B 45 -11.487 11.178 2.342 1.00 0.82 H new ATOM 0 HB2 GLN B 45 -13.211 9.942 0.182 1.00 0.93 H new ATOM 0 HB3 GLN B 45 -11.518 10.306 -0.082 1.00 0.93 H new ATOM 0 HG2 GLN B 45 -12.221 8.712 2.348 1.00 0.95 H new ATOM 0 HG3 GLN B 45 -12.360 7.922 0.790 1.00 0.95 H new ATOM 0 HE21 GLN B 45 -10.576 7.103 -0.140 1.00 1.45 H new ATOM 0 HE22 GLN B 45 -8.922 7.472 0.357 1.00 1.45 H new ATOM 2285 N LEU B 46 -13.573 12.908 0.489 1.00 0.78 N ATOM 2286 CA LEU B 46 -13.773 14.162 -0.221 1.00 0.78 C ATOM 2287 C LEU B 46 -12.991 15.254 0.471 1.00 0.74 C ATOM 2288 O LEU B 46 -11.923 15.618 -0.011 1.00 0.75 O ATOM 2289 CB LEU B 46 -15.260 14.541 -0.317 1.00 0.83 C ATOM 2290 CG LEU B 46 -15.993 14.097 -1.591 1.00 1.04 C ATOM 2291 CD1 LEU B 46 -17.401 14.668 -1.618 1.00 1.25 C ATOM 2292 CD2 LEU B 46 -15.224 14.523 -2.832 1.00 1.30 C ATOM 0 H LEU B 46 -14.425 12.363 0.624 1.00 0.78 H new ATOM 0 HA LEU B 46 -13.412 14.038 -1.242 1.00 0.78 H new ATOM 0 HB2 LEU B 46 -15.778 14.115 0.542 1.00 0.83 H new ATOM 0 HB3 LEU B 46 -15.343 15.625 -0.234 1.00 0.83 H new ATOM 0 HG LEU B 46 -16.058 13.009 -1.586 1.00 1.04 H new ATOM 0 HD11 LEU B 46 -17.908 14.344 -2.527 1.00 1.25 H new ATOM 0 HD12 LEU B 46 -17.954 14.313 -0.748 1.00 1.25 H new ATOM 0 HD13 LEU B 46 -17.353 15.757 -1.598 1.00 1.25 H new ATOM 0 HD21 LEU B 46 -15.762 14.198 -3.723 1.00 1.30 H new ATOM 0 HD22 LEU B 46 -15.125 15.608 -2.844 1.00 1.30 H new ATOM 0 HD23 LEU B 46 -14.233 14.068 -2.820 1.00 1.30 H new ATOM 2304 N PRO B 47 -13.440 15.774 1.633 1.00 0.78 N ATOM 2305 CA PRO B 47 -12.661 16.809 2.264 1.00 0.80 C ATOM 2306 C PRO B 47 -11.488 16.282 3.047 1.00 0.77 C ATOM 2307 O PRO B 47 -11.577 15.922 4.220 1.00 0.82 O ATOM 2308 CB PRO B 47 -13.648 17.436 3.232 1.00 0.91 C ATOM 2309 CG PRO B 47 -14.598 16.335 3.576 1.00 0.95 C ATOM 2310 CD PRO B 47 -14.678 15.452 2.360 1.00 0.90 C ATOM 0 HA PRO B 47 -12.236 17.485 1.522 1.00 0.80 H new ATOM 0 HB2 PRO B 47 -13.144 17.815 4.121 1.00 0.91 H new ATOM 0 HB3 PRO B 47 -14.168 18.279 2.776 1.00 0.91 H new ATOM 0 HG2 PRO B 47 -14.246 15.774 4.442 1.00 0.95 H new ATOM 0 HG3 PRO B 47 -15.579 16.734 3.832 1.00 0.95 H new ATOM 0 HD2 PRO B 47 -14.724 14.397 2.630 1.00 0.90 H new ATOM 0 HD3 PRO B 47 -15.564 15.667 1.763 1.00 0.90 H new ATOM 2318 N HIS B 48 -10.395 16.246 2.339 1.00 0.73 N ATOM 2319 CA HIS B 48 -9.097 15.935 2.861 1.00 0.75 C ATOM 2320 C HIS B 48 -8.382 17.252 3.101 1.00 0.83 C ATOM 2321 O HIS B 48 -8.964 18.311 2.868 1.00 0.91 O ATOM 2322 CB HIS B 48 -8.349 15.114 1.837 1.00 0.73 C ATOM 2323 CG HIS B 48 -6.949 14.773 2.263 1.00 0.98 C ATOM 2324 ND1 HIS B 48 -5.822 15.372 1.742 1.00 1.86 N ATOM 2325 CD2 HIS B 48 -6.503 13.910 3.208 1.00 1.34 C ATOM 2326 CE1 HIS B 48 -4.747 14.893 2.346 1.00 2.02 C ATOM 2327 NE2 HIS B 48 -5.132 14.004 3.241 1.00 1.59 N ATOM 0 H HIS B 48 -10.385 16.442 1.338 1.00 0.73 H new ATOM 0 HA HIS B 48 -9.161 15.367 3.789 1.00 0.75 H new ATOM 0 HB2 HIS B 48 -8.899 14.192 1.647 1.00 0.73 H new ATOM 0 HB3 HIS B 48 -8.312 15.663 0.896 1.00 0.73 H new ATOM 0 HD1 HIS B 48 -5.818 16.076 1.004 1.00 1.86 H new ATOM 0 HD2 HIS B 48 -7.114 13.266 3.823 1.00 1.34 H new ATOM 0 HE1 HIS B 48 -3.727 15.181 2.141 1.00 2.02 H new ATOM 2336 N LEU B 49 -7.141 17.223 3.553 1.00 0.89 N ATOM 2337 CA LEU B 49 -6.403 18.457 3.632 1.00 1.00 C ATOM 2338 C LEU B 49 -6.092 18.873 2.188 1.00 0.98 C ATOM 2339 O LEU B 49 -6.739 19.762 1.637 1.00 1.02 O ATOM 2340 CB LEU B 49 -5.121 18.293 4.456 1.00 1.10 C ATOM 2341 CG LEU B 49 -5.341 17.959 5.932 1.00 1.62 C ATOM 2342 CD1 LEU B 49 -4.026 18.017 6.694 1.00 2.02 C ATOM 2343 CD2 LEU B 49 -6.358 18.907 6.546 1.00 2.44 C ATOM 0 H LEU B 49 -6.643 16.388 3.860 1.00 0.89 H new ATOM 0 HA LEU B 49 -6.987 19.225 4.140 1.00 1.00 H new ATOM 0 HB2 LEU B 49 -4.516 17.505 4.007 1.00 1.10 H new ATOM 0 HB3 LEU B 49 -4.544 19.215 4.390 1.00 1.10 H new ATOM 0 HG LEU B 49 -5.732 16.944 6.001 1.00 1.62 H new ATOM 0 HD11 LEU B 49 -4.202 17.777 7.742 1.00 2.02 H new ATOM 0 HD12 LEU B 49 -3.327 17.297 6.269 1.00 2.02 H new ATOM 0 HD13 LEU B 49 -3.605 19.020 6.617 1.00 2.02 H new ATOM 0 HD21 LEU B 49 -6.502 18.655 7.597 1.00 2.44 H new ATOM 0 HD22 LEU B 49 -5.995 19.932 6.465 1.00 2.44 H new ATOM 0 HD23 LEU B 49 -7.307 18.815 6.017 1.00 2.44 H new ATOM 2355 N LEU B 50 -5.094 18.220 1.584 1.00 0.98 N ATOM 2356 CA LEU B 50 -4.728 18.465 0.183 1.00 1.01 C ATOM 2357 C LEU B 50 -5.590 17.604 -0.760 1.00 0.92 C ATOM 2358 O LEU B 50 -5.072 16.952 -1.665 1.00 1.01 O ATOM 2359 CB LEU B 50 -3.243 18.160 -0.039 1.00 1.11 C ATOM 2360 CG LEU B 50 -2.696 18.549 -1.415 1.00 1.60 C ATOM 2361 CD1 LEU B 50 -2.825 20.048 -1.636 1.00 1.97 C ATOM 2362 CD2 LEU B 50 -1.245 18.112 -1.553 1.00 2.24 C ATOM 0 H LEU B 50 -4.521 17.513 2.046 1.00 0.98 H new ATOM 0 HA LEU B 50 -4.910 19.516 -0.041 1.00 1.01 H new ATOM 0 HB2 LEU B 50 -2.664 18.679 0.725 1.00 1.11 H new ATOM 0 HB3 LEU B 50 -3.082 17.092 0.110 1.00 1.11 H new ATOM 0 HG LEU B 50 -3.284 18.038 -2.177 1.00 1.60 H new ATOM 0 HD11 LEU B 50 -2.431 20.306 -2.619 1.00 1.97 H new ATOM 0 HD12 LEU B 50 -3.875 20.335 -1.579 1.00 1.97 H new ATOM 0 HD13 LEU B 50 -2.261 20.579 -0.869 1.00 1.97 H new ATOM 0 HD21 LEU B 50 -0.871 18.396 -2.537 1.00 2.24 H new ATOM 0 HD22 LEU B 50 -0.644 18.596 -0.783 1.00 2.24 H new ATOM 0 HD23 LEU B 50 -1.178 17.030 -1.438 1.00 2.24 H new ATOM 2374 N LYS B 51 -6.903 17.607 -0.538 1.00 0.85 N ATOM 2375 CA LYS B 51 -7.844 16.806 -1.322 1.00 0.80 C ATOM 2376 C LYS B 51 -7.506 16.758 -2.803 1.00 0.89 C ATOM 2377 O LYS B 51 -6.808 17.622 -3.336 1.00 1.04 O ATOM 2378 CB LYS B 51 -9.256 17.360 -1.122 1.00 0.95 C ATOM 2379 CG LYS B 51 -10.322 16.810 -2.066 1.00 1.24 C ATOM 2380 CD LYS B 51 -11.556 17.708 -2.119 1.00 2.12 C ATOM 2381 CE LYS B 51 -12.041 18.129 -0.740 1.00 2.68 C ATOM 2382 NZ LYS B 51 -12.365 19.582 -0.688 1.00 3.58 N ATOM 0 H LYS B 51 -7.346 18.165 0.192 1.00 0.85 H new ATOM 0 HA LYS B 51 -7.777 15.779 -0.962 1.00 0.80 H new ATOM 0 HB2 LYS B 51 -9.565 17.156 -0.097 1.00 0.95 H new ATOM 0 HB3 LYS B 51 -9.221 18.444 -1.235 1.00 0.95 H new ATOM 0 HG2 LYS B 51 -9.903 16.710 -3.067 1.00 1.24 H new ATOM 0 HG3 LYS B 51 -10.614 15.811 -1.741 1.00 1.24 H new ATOM 0 HD2 LYS B 51 -11.327 18.598 -2.705 1.00 2.12 H new ATOM 0 HD3 LYS B 51 -12.359 17.183 -2.637 1.00 2.12 H new ATOM 0 HE2 LYS B 51 -12.925 17.550 -0.473 1.00 2.68 H new ATOM 0 HE3 LYS B 51 -11.274 17.901 0.000 1.00 2.68 H new ATOM 0 HZ1 LYS B 51 -12.692 19.831 0.267 1.00 3.58 H new ATOM 0 HZ2 LYS B 51 -11.515 20.136 -0.918 1.00 3.58 H new ATOM 0 HZ3 LYS B 51 -13.114 19.795 -1.377 1.00 3.58 H new ATOM 2396 N ASP B 52 -8.033 15.724 -3.453 1.00 0.92 N ATOM 2397 CA ASP B 52 -7.845 15.520 -4.877 1.00 1.17 C ATOM 2398 C ASP B 52 -9.149 15.857 -5.587 1.00 1.24 C ATOM 2399 O ASP B 52 -9.144 16.394 -6.690 1.00 1.47 O ATOM 2400 CB ASP B 52 -7.432 14.074 -5.163 1.00 1.29 C ATOM 2401 CG ASP B 52 -6.053 13.749 -4.618 1.00 1.87 C ATOM 2402 OD1 ASP B 52 -5.064 13.944 -5.355 1.00 2.35 O ATOM 2403 OD2 ASP B 52 -5.964 13.300 -3.456 1.00 2.61 O ATOM 0 H ASP B 52 -8.602 15.007 -3.003 1.00 0.92 H new ATOM 0 HA ASP B 52 -7.048 16.168 -5.242 1.00 1.17 H new ATOM 0 HB2 ASP B 52 -8.163 13.396 -4.723 1.00 1.29 H new ATOM 0 HB3 ASP B 52 -7.445 13.901 -6.239 1.00 1.29 H new ATOM 2408 N VAL B 53 -10.256 15.542 -4.908 1.00 1.14 N ATOM 2409 CA VAL B 53 -11.609 15.809 -5.387 1.00 1.27 C ATOM 2410 C VAL B 53 -12.222 14.638 -6.154 1.00 1.24 C ATOM 2411 O VAL B 53 -12.168 14.531 -7.377 1.00 1.46 O ATOM 2412 CB VAL B 53 -11.718 17.148 -6.160 1.00 1.58 C ATOM 2413 CG1 VAL B 53 -11.533 17.009 -7.671 1.00 2.18 C ATOM 2414 CG2 VAL B 53 -13.048 17.814 -5.848 1.00 1.92 C ATOM 0 H VAL B 53 -10.233 15.087 -3.995 1.00 1.14 H new ATOM 0 HA VAL B 53 -12.217 15.923 -4.489 1.00 1.27 H new ATOM 0 HB VAL B 53 -10.893 17.772 -5.817 1.00 1.58 H new ATOM 0 HG11 VAL B 53 -11.623 17.989 -8.140 1.00 2.18 H new ATOM 0 HG12 VAL B 53 -10.546 16.596 -7.880 1.00 2.18 H new ATOM 0 HG13 VAL B 53 -12.297 16.343 -8.071 1.00 2.18 H new ATOM 0 HG21 VAL B 53 -13.121 18.755 -6.393 1.00 1.92 H new ATOM 0 HG22 VAL B 53 -13.864 17.156 -6.149 1.00 1.92 H new ATOM 0 HG23 VAL B 53 -13.115 18.009 -4.778 1.00 1.92 H new ATOM 2424 N GLY B 54 -12.767 13.728 -5.377 1.00 1.06 N ATOM 2425 CA GLY B 54 -13.452 12.570 -5.934 1.00 1.09 C ATOM 2426 C GLY B 54 -14.688 12.948 -6.724 1.00 1.13 C ATOM 2427 O GLY B 54 -15.582 13.623 -6.213 1.00 1.23 O ATOM 0 H GLY B 54 -12.752 13.762 -4.358 1.00 1.06 H new ATOM 0 HA2 GLY B 54 -12.766 12.023 -6.580 1.00 1.09 H new ATOM 0 HA3 GLY B 54 -13.734 11.896 -5.125 1.00 1.09 H new ATOM 2431 N SER B 55 -14.736 12.508 -7.972 1.00 1.16 N ATOM 2432 CA SER B 55 -15.863 12.788 -8.845 1.00 1.24 C ATOM 2433 C SER B 55 -17.025 11.842 -8.554 1.00 1.10 C ATOM 2434 O SER B 55 -16.869 10.622 -8.578 1.00 1.09 O ATOM 2435 CB SER B 55 -15.404 12.661 -10.287 1.00 1.40 C ATOM 2436 OG SER B 55 -16.286 13.331 -11.174 1.00 1.62 O ATOM 0 H SER B 55 -14.000 11.951 -8.405 1.00 1.16 H new ATOM 0 HA SER B 55 -16.221 13.802 -8.666 1.00 1.24 H new ATOM 0 HB2 SER B 55 -14.401 13.075 -10.388 1.00 1.40 H new ATOM 0 HB3 SER B 55 -15.343 11.607 -10.559 1.00 1.40 H new ATOM 0 HG SER B 55 -16.947 12.696 -11.520 1.00 1.62 H new ATOM 2442 N LEU B 56 -18.195 12.420 -8.302 1.00 1.15 N ATOM 2443 CA LEU B 56 -19.392 11.651 -7.968 1.00 1.10 C ATOM 2444 C LEU B 56 -19.526 10.370 -8.789 1.00 0.98 C ATOM 2445 O LEU B 56 -19.817 9.309 -8.237 1.00 0.97 O ATOM 2446 CB LEU B 56 -20.643 12.519 -8.133 1.00 1.28 C ATOM 2447 CG LEU B 56 -20.885 13.055 -9.545 1.00 2.03 C ATOM 2448 CD1 LEU B 56 -21.850 12.156 -10.302 1.00 2.61 C ATOM 2449 CD2 LEU B 56 -21.414 14.481 -9.488 1.00 2.83 C ATOM 0 H LEU B 56 -18.342 13.429 -8.323 1.00 1.15 H new ATOM 0 HA LEU B 56 -19.290 11.348 -6.926 1.00 1.10 H new ATOM 0 HB2 LEU B 56 -21.512 11.936 -7.830 1.00 1.28 H new ATOM 0 HB3 LEU B 56 -20.572 13.364 -7.449 1.00 1.28 H new ATOM 0 HG LEU B 56 -19.935 13.060 -10.079 1.00 2.03 H new ATOM 0 HD11 LEU B 56 -22.009 12.555 -11.304 1.00 2.61 H new ATOM 0 HD12 LEU B 56 -21.432 11.152 -10.373 1.00 2.61 H new ATOM 0 HD13 LEU B 56 -22.802 12.116 -9.772 1.00 2.61 H new ATOM 0 HD21 LEU B 56 -21.581 14.848 -10.501 1.00 2.83 H new ATOM 0 HD22 LEU B 56 -22.354 14.499 -8.936 1.00 2.83 H new ATOM 0 HD23 LEU B 56 -20.687 15.119 -8.986 1.00 2.83 H new ATOM 2461 N ASP B 57 -19.325 10.456 -10.097 1.00 1.00 N ATOM 2462 CA ASP B 57 -19.438 9.269 -10.938 1.00 1.01 C ATOM 2463 C ASP B 57 -18.366 8.263 -10.607 1.00 0.95 C ATOM 2464 O ASP B 57 -18.629 7.074 -10.435 1.00 0.97 O ATOM 2465 CB ASP B 57 -19.337 9.607 -12.413 1.00 1.15 C ATOM 2466 CG ASP B 57 -18.319 10.695 -12.701 1.00 1.69 C ATOM 2467 OD1 ASP B 57 -18.699 11.884 -12.677 1.00 2.19 O ATOM 2468 OD2 ASP B 57 -17.143 10.357 -12.949 1.00 2.48 O ATOM 0 H ASP B 57 -19.088 11.316 -10.592 1.00 1.00 H new ATOM 0 HA ASP B 57 -20.421 8.845 -10.735 1.00 1.01 H new ATOM 0 HB2 ASP B 57 -19.068 8.709 -12.969 1.00 1.15 H new ATOM 0 HB3 ASP B 57 -20.314 9.926 -12.775 1.00 1.15 H new ATOM 2473 N GLU B 58 -17.155 8.764 -10.521 1.00 0.94 N ATOM 2474 CA GLU B 58 -15.990 7.944 -10.211 1.00 0.95 C ATOM 2475 C GLU B 58 -16.294 7.093 -9.002 1.00 0.87 C ATOM 2476 O GLU B 58 -15.919 5.922 -8.925 1.00 0.90 O ATOM 2477 CB GLU B 58 -14.771 8.826 -9.935 1.00 0.98 C ATOM 2478 CG GLU B 58 -14.166 9.435 -11.190 1.00 1.44 C ATOM 2479 CD GLU B 58 -12.915 10.243 -10.904 1.00 1.80 C ATOM 2480 OE1 GLU B 58 -11.828 9.637 -10.798 1.00 2.29 O ATOM 2481 OE2 GLU B 58 -13.021 11.481 -10.788 1.00 2.42 O ATOM 0 H GLU B 58 -16.942 9.751 -10.663 1.00 0.94 H new ATOM 0 HA GLU B 58 -15.764 7.305 -11.065 1.00 0.95 H new ATOM 0 HB2 GLU B 58 -15.059 9.627 -9.254 1.00 0.98 H new ATOM 0 HB3 GLU B 58 -14.011 8.233 -9.426 1.00 0.98 H new ATOM 0 HG2 GLU B 58 -13.926 8.640 -11.896 1.00 1.44 H new ATOM 0 HG3 GLU B 58 -14.905 10.076 -11.671 1.00 1.44 H new ATOM 2488 N LYS B 59 -17.005 7.707 -8.072 1.00 0.81 N ATOM 2489 CA LYS B 59 -17.401 7.046 -6.855 1.00 0.76 C ATOM 2490 C LYS B 59 -18.353 5.905 -7.141 1.00 0.80 C ATOM 2491 O LYS B 59 -18.377 4.913 -6.422 1.00 0.79 O ATOM 2492 CB LYS B 59 -18.049 8.047 -5.905 1.00 0.75 C ATOM 2493 CG LYS B 59 -17.043 8.973 -5.254 1.00 0.75 C ATOM 2494 CD LYS B 59 -17.337 10.441 -5.521 1.00 1.14 C ATOM 2495 CE LYS B 59 -18.480 10.936 -4.646 1.00 1.95 C ATOM 2496 NZ LYS B 59 -18.639 12.415 -4.707 1.00 2.67 N ATOM 0 H LYS B 59 -17.320 8.674 -8.145 1.00 0.81 H new ATOM 0 HA LYS B 59 -16.509 6.632 -6.385 1.00 0.76 H new ATOM 0 HB2 LYS B 59 -18.781 8.640 -6.453 1.00 0.75 H new ATOM 0 HB3 LYS B 59 -18.593 7.506 -5.130 1.00 0.75 H new ATOM 0 HG2 LYS B 59 -17.037 8.798 -4.178 1.00 0.75 H new ATOM 0 HG3 LYS B 59 -16.045 8.734 -5.621 1.00 0.75 H new ATOM 0 HD2 LYS B 59 -16.444 11.035 -5.329 1.00 1.14 H new ATOM 0 HD3 LYS B 59 -17.592 10.579 -6.572 1.00 1.14 H new ATOM 0 HE2 LYS B 59 -19.408 10.460 -4.961 1.00 1.95 H new ATOM 0 HE3 LYS B 59 -18.301 10.634 -3.614 1.00 1.95 H new ATOM 0 HZ1 LYS B 59 -19.628 12.666 -4.506 1.00 2.67 H new ATOM 0 HZ2 LYS B 59 -18.018 12.860 -4.001 1.00 2.67 H new ATOM 0 HZ3 LYS B 59 -18.382 12.753 -5.656 1.00 2.67 H new ATOM 2510 N MET B 60 -19.142 6.058 -8.191 1.00 0.86 N ATOM 2511 CA MET B 60 -20.105 5.031 -8.566 1.00 0.92 C ATOM 2512 C MET B 60 -19.449 3.919 -9.387 1.00 0.96 C ATOM 2513 O MET B 60 -19.864 2.762 -9.328 1.00 1.01 O ATOM 2514 CB MET B 60 -21.257 5.661 -9.353 1.00 1.00 C ATOM 2515 CG MET B 60 -22.055 6.674 -8.550 1.00 1.01 C ATOM 2516 SD MET B 60 -22.961 5.923 -7.184 1.00 1.74 S ATOM 2517 CE MET B 60 -24.072 4.833 -8.071 1.00 2.31 C ATOM 0 H MET B 60 -19.137 6.878 -8.797 1.00 0.86 H new ATOM 0 HA MET B 60 -20.494 4.582 -7.652 1.00 0.92 H new ATOM 0 HB2 MET B 60 -20.856 6.148 -10.242 1.00 1.00 H new ATOM 0 HB3 MET B 60 -21.926 4.872 -9.696 1.00 1.00 H new ATOM 0 HG2 MET B 60 -21.379 7.434 -8.158 1.00 1.01 H new ATOM 0 HG3 MET B 60 -22.758 7.182 -9.210 1.00 1.01 H new ATOM 0 HE1 MET B 60 -24.924 4.587 -7.437 1.00 2.31 H new ATOM 0 HE2 MET B 60 -24.424 5.330 -8.975 1.00 2.31 H new ATOM 0 HE3 MET B 60 -23.545 3.918 -8.341 1.00 2.31 H new ATOM 2527 N LYS B 61 -18.431 4.282 -10.161 1.00 0.97 N ATOM 2528 CA LYS B 61 -17.718 3.317 -11.007 1.00 1.02 C ATOM 2529 C LYS B 61 -16.683 2.566 -10.201 1.00 0.96 C ATOM 2530 O LYS B 61 -16.769 1.350 -10.039 1.00 0.92 O ATOM 2531 CB LYS B 61 -17.033 3.988 -12.203 1.00 1.09 C ATOM 2532 CG LYS B 61 -17.445 5.431 -12.442 1.00 1.55 C ATOM 2533 CD LYS B 61 -16.810 5.997 -13.702 1.00 2.08 C ATOM 2534 CE LYS B 61 -15.293 6.034 -13.595 1.00 2.60 C ATOM 2535 NZ LYS B 61 -14.665 6.602 -14.820 1.00 3.16 N ATOM 0 H LYS B 61 -18.077 5.237 -10.223 1.00 0.97 H new ATOM 0 HA LYS B 61 -18.467 2.623 -11.389 1.00 1.02 H new ATOM 0 HB2 LYS B 61 -15.954 3.952 -12.054 1.00 1.09 H new ATOM 0 HB3 LYS B 61 -17.250 3.409 -13.101 1.00 1.09 H new ATOM 0 HG2 LYS B 61 -18.530 5.491 -12.523 1.00 1.55 H new ATOM 0 HG3 LYS B 61 -17.156 6.039 -11.585 1.00 1.55 H new ATOM 0 HD2 LYS B 61 -17.100 5.391 -14.560 1.00 2.08 H new ATOM 0 HD3 LYS B 61 -17.188 7.004 -13.880 1.00 2.08 H new ATOM 0 HE2 LYS B 61 -15.004 6.630 -12.729 1.00 2.60 H new ATOM 0 HE3 LYS B 61 -14.916 5.025 -13.428 1.00 2.60 H new ATOM 0 HZ1 LYS B 61 -13.631 6.610 -14.708 1.00 3.16 H new ATOM 0 HZ2 LYS B 61 -14.920 6.019 -15.643 1.00 3.16 H new ATOM 0 HZ3 LYS B 61 -15.005 7.574 -14.966 1.00 3.16 H new ATOM 2549 N THR B 62 -15.694 3.301 -9.697 1.00 0.99 N ATOM 2550 CA THR B 62 -14.638 2.707 -8.887 1.00 0.96 C ATOM 2551 C THR B 62 -15.249 1.759 -7.865 1.00 0.87 C ATOM 2552 O THR B 62 -14.636 0.776 -7.448 1.00 0.84 O ATOM 2553 CB THR B 62 -13.807 3.787 -8.174 1.00 1.03 C ATOM 2554 OG1 THR B 62 -13.258 4.690 -9.140 1.00 1.13 O ATOM 2555 CG2 THR B 62 -12.685 3.162 -7.358 1.00 1.05 C ATOM 0 H THR B 62 -15.604 4.307 -9.836 1.00 0.99 H new ATOM 0 HA THR B 62 -13.971 2.152 -9.547 1.00 0.96 H new ATOM 0 HB THR B 62 -14.462 4.332 -7.494 1.00 1.03 H new ATOM 0 HG1 THR B 62 -13.924 5.373 -9.365 1.00 1.13 H new ATOM 0 HG21 THR B 62 -12.113 3.948 -6.864 1.00 1.05 H new ATOM 0 HG22 THR B 62 -13.109 2.495 -6.607 1.00 1.05 H new ATOM 0 HG23 THR B 62 -12.028 2.595 -8.017 1.00 1.05 H new ATOM 2563 N LEU B 63 -16.478 2.082 -7.476 1.00 0.86 N ATOM 2564 CA LEU B 63 -17.251 1.268 -6.560 1.00 0.83 C ATOM 2565 C LEU B 63 -17.276 -0.165 -7.067 1.00 0.80 C ATOM 2566 O LEU B 63 -16.985 -1.112 -6.339 1.00 0.89 O ATOM 2567 CB LEU B 63 -18.659 1.847 -6.483 1.00 0.95 C ATOM 2568 CG LEU B 63 -19.670 1.053 -5.676 1.00 0.92 C ATOM 2569 CD1 LEU B 63 -20.769 1.971 -5.167 1.00 1.05 C ATOM 2570 CD2 LEU B 63 -20.272 -0.079 -6.502 1.00 1.41 C ATOM 0 H LEU B 63 -16.964 2.921 -7.792 1.00 0.86 H new ATOM 0 HA LEU B 63 -16.808 1.269 -5.564 1.00 0.83 H new ATOM 0 HB2 LEU B 63 -18.594 2.849 -6.059 1.00 0.95 H new ATOM 0 HB3 LEU B 63 -19.041 1.955 -7.498 1.00 0.95 H new ATOM 0 HG LEU B 63 -19.150 0.610 -4.826 1.00 0.92 H new ATOM 0 HD11 LEU B 63 -21.489 1.391 -4.589 1.00 1.05 H new ATOM 0 HD12 LEU B 63 -20.333 2.744 -4.533 1.00 1.05 H new ATOM 0 HD13 LEU B 63 -21.274 2.438 -6.013 1.00 1.05 H new ATOM 0 HD21 LEU B 63 -20.992 -0.629 -5.896 1.00 1.41 H new ATOM 0 HD22 LEU B 63 -20.775 0.336 -7.376 1.00 1.41 H new ATOM 0 HD23 LEU B 63 -19.480 -0.754 -6.826 1.00 1.41 H new ATOM 2582 N ASP B 64 -17.618 -0.307 -8.338 1.00 0.78 N ATOM 2583 CA ASP B 64 -17.662 -1.607 -8.976 1.00 0.81 C ATOM 2584 C ASP B 64 -16.256 -2.119 -9.254 1.00 0.81 C ATOM 2585 O ASP B 64 -16.042 -3.320 -9.398 1.00 0.88 O ATOM 2586 CB ASP B 64 -18.422 -1.523 -10.289 1.00 0.91 C ATOM 2587 CG ASP B 64 -19.920 -1.682 -10.112 1.00 1.34 C ATOM 2588 OD1 ASP B 64 -20.604 -0.657 -9.906 1.00 1.96 O ATOM 2589 OD2 ASP B 64 -20.410 -2.829 -10.177 1.00 2.05 O ATOM 0 H ASP B 64 -17.870 0.470 -8.949 1.00 0.78 H new ATOM 0 HA ASP B 64 -18.169 -2.295 -8.299 1.00 0.81 H new ATOM 0 HB2 ASP B 64 -18.216 -0.563 -10.762 1.00 0.91 H new ATOM 0 HB3 ASP B 64 -18.057 -2.296 -10.965 1.00 0.91 H new ATOM 2594 N VAL B 65 -15.306 -1.195 -9.351 1.00 0.81 N ATOM 2595 CA VAL B 65 -13.920 -1.551 -9.615 1.00 0.87 C ATOM 2596 C VAL B 65 -13.269 -2.162 -8.381 1.00 0.77 C ATOM 2597 O VAL B 65 -12.970 -3.355 -8.349 1.00 0.83 O ATOM 2598 CB VAL B 65 -13.105 -0.318 -10.057 1.00 0.95 C ATOM 2599 CG1 VAL B 65 -11.651 -0.690 -10.305 1.00 1.06 C ATOM 2600 CG2 VAL B 65 -13.720 0.308 -11.299 1.00 1.07 C ATOM 0 H VAL B 65 -15.472 -0.194 -9.250 1.00 0.81 H new ATOM 0 HA VAL B 65 -13.924 -2.285 -10.421 1.00 0.87 H new ATOM 0 HB VAL B 65 -13.132 0.416 -9.252 1.00 0.95 H new ATOM 0 HG11 VAL B 65 -11.097 0.196 -10.616 1.00 1.06 H new ATOM 0 HG12 VAL B 65 -11.216 -1.088 -9.388 1.00 1.06 H new ATOM 0 HG13 VAL B 65 -11.597 -1.445 -11.089 1.00 1.06 H new ATOM 0 HG21 VAL B 65 -13.133 1.177 -11.597 1.00 1.07 H new ATOM 0 HG22 VAL B 65 -13.726 -0.421 -12.109 1.00 1.07 H new ATOM 0 HG23 VAL B 65 -14.742 0.618 -11.082 1.00 1.07 H new ATOM 2610 N ASN B 66 -13.041 -1.333 -7.374 1.00 0.72 N ATOM 2611 CA ASN B 66 -12.414 -1.789 -6.131 1.00 0.67 C ATOM 2612 C ASN B 66 -13.417 -2.404 -5.165 1.00 0.56 C ATOM 2613 O ASN B 66 -13.336 -2.168 -3.960 1.00 0.57 O ATOM 2614 CB ASN B 66 -11.705 -0.647 -5.421 1.00 0.81 C ATOM 2615 CG ASN B 66 -11.079 0.350 -6.378 1.00 0.82 C ATOM 2616 OD1 ASN B 66 -10.740 0.011 -7.512 1.00 1.52 O ATOM 2617 ND2 ASN B 66 -10.915 1.586 -5.920 1.00 1.10 N ATOM 0 H ASN B 66 -13.278 -0.341 -7.387 1.00 0.72 H new ATOM 0 HA ASN B 66 -11.694 -2.553 -6.425 1.00 0.67 H new ATOM 0 HB2 ASN B 66 -12.417 -0.128 -4.779 1.00 0.81 H new ATOM 0 HB3 ASN B 66 -10.930 -1.055 -4.772 1.00 0.81 H new ATOM 0 HD21 ASN B 66 -10.493 2.299 -6.515 1.00 1.10 H new ATOM 0 HD22 ASN B 66 -11.211 1.822 -4.973 1.00 1.10 H new ATOM 2624 N GLN B 67 -14.355 -3.185 -5.666 1.00 0.63 N ATOM 2625 CA GLN B 67 -15.338 -3.795 -4.792 1.00 0.68 C ATOM 2626 C GLN B 67 -14.645 -4.608 -3.710 1.00 0.61 C ATOM 2627 O GLN B 67 -14.857 -4.408 -2.522 1.00 0.66 O ATOM 2628 CB GLN B 67 -16.311 -4.663 -5.593 1.00 0.90 C ATOM 2629 CG GLN B 67 -15.727 -5.953 -6.161 1.00 0.74 C ATOM 2630 CD GLN B 67 -14.640 -5.714 -7.198 1.00 1.20 C ATOM 2631 OE1 GLN B 67 -13.507 -6.409 -7.066 1.00 2.01 O flip ATOM 2632 NE2 GLN B 67 -14.805 -4.897 -8.096 1.00 1.44 N flip ATOM 0 H GLN B 67 -14.457 -3.409 -6.656 1.00 0.63 H new ATOM 0 HA GLN B 67 -15.915 -3.005 -4.311 1.00 0.68 H new ATOM 0 HB2 GLN B 67 -17.155 -4.918 -4.952 1.00 0.90 H new ATOM 0 HB3 GLN B 67 -16.705 -4.069 -6.418 1.00 0.90 H new ATOM 0 HG2 GLN B 67 -15.317 -6.549 -5.345 1.00 0.74 H new ATOM 0 HG3 GLN B 67 -16.528 -6.539 -6.612 1.00 0.74 H new ATOM 0 HE21 GLN B 67 -15.685 -4.385 -8.165 1.00 1.44 H new ATOM 0 HE22 GLN B 67 -14.063 -4.729 -8.775 1.00 1.44 H new ATOM 2641 N ASP B 68 -13.786 -5.504 -4.137 1.00 0.59 N ATOM 2642 CA ASP B 68 -13.055 -6.355 -3.239 1.00 0.62 C ATOM 2643 C ASP B 68 -11.781 -5.686 -2.751 1.00 0.59 C ATOM 2644 O ASP B 68 -10.865 -6.378 -2.314 1.00 0.65 O ATOM 2645 CB ASP B 68 -12.755 -7.690 -3.907 1.00 0.73 C ATOM 2646 CG ASP B 68 -14.011 -8.489 -4.196 1.00 0.97 C ATOM 2647 OD1 ASP B 68 -14.574 -9.077 -3.249 1.00 1.58 O ATOM 2648 OD2 ASP B 68 -14.430 -8.532 -5.372 1.00 1.50 O ATOM 0 H ASP B 68 -13.576 -5.661 -5.123 1.00 0.59 H new ATOM 0 HA ASP B 68 -13.677 -6.539 -2.363 1.00 0.62 H new ATOM 0 HB2 ASP B 68 -12.218 -7.514 -4.839 1.00 0.73 H new ATOM 0 HB3 ASP B 68 -12.096 -8.274 -3.265 1.00 0.73 H new ATOM 2653 N SER B 69 -11.733 -4.336 -2.788 1.00 0.56 N ATOM 2654 CA SER B 69 -10.551 -3.579 -2.343 1.00 0.58 C ATOM 2655 C SER B 69 -9.964 -4.235 -1.110 1.00 0.62 C ATOM 2656 O SER B 69 -8.755 -4.234 -0.895 1.00 0.74 O ATOM 2657 CB SER B 69 -10.925 -2.123 -2.050 1.00 0.66 C ATOM 2658 OG SER B 69 -11.993 -2.049 -1.123 1.00 1.74 O ATOM 0 H SER B 69 -12.500 -3.752 -3.122 1.00 0.56 H new ATOM 0 HA SER B 69 -9.805 -3.583 -3.138 1.00 0.58 H new ATOM 0 HB2 SER B 69 -10.058 -1.594 -1.654 1.00 0.66 H new ATOM 0 HB3 SER B 69 -11.208 -1.623 -2.976 1.00 0.66 H new ATOM 0 HG SER B 69 -12.108 -1.121 -0.830 1.00 1.74 H new ATOM 2664 N GLU B 70 -10.858 -4.799 -0.316 1.00 0.63 N ATOM 2665 CA GLU B 70 -10.479 -5.559 0.851 1.00 0.76 C ATOM 2666 C GLU B 70 -10.823 -6.987 0.557 1.00 0.77 C ATOM 2667 O GLU B 70 -11.736 -7.263 -0.221 1.00 0.81 O ATOM 2668 CB GLU B 70 -11.217 -5.104 2.101 1.00 0.84 C ATOM 2669 CG GLU B 70 -11.587 -6.241 3.081 1.00 1.33 C ATOM 2670 CD GLU B 70 -10.384 -6.906 3.728 1.00 2.19 C ATOM 2671 OE1 GLU B 70 -9.244 -6.504 3.416 1.00 2.87 O ATOM 2672 OE2 GLU B 70 -10.585 -7.828 4.546 1.00 2.73 O ATOM 0 H GLU B 70 -11.865 -4.740 -0.467 1.00 0.63 H new ATOM 0 HA GLU B 70 -9.416 -5.420 1.050 1.00 0.76 H new ATOM 0 HB2 GLU B 70 -10.599 -4.376 2.627 1.00 0.84 H new ATOM 0 HB3 GLU B 70 -12.130 -4.590 1.801 1.00 0.84 H new ATOM 0 HG2 GLU B 70 -12.233 -5.840 3.862 1.00 1.33 H new ATOM 0 HG3 GLU B 70 -12.164 -6.996 2.547 1.00 1.33 H new ATOM 2679 N LEU B 71 -10.110 -7.891 1.161 1.00 0.79 N ATOM 2680 CA LEU B 71 -10.378 -9.252 0.924 1.00 0.83 C ATOM 2681 C LEU B 71 -10.168 -10.159 2.149 1.00 0.81 C ATOM 2682 O LEU B 71 -9.387 -9.863 3.037 1.00 0.86 O ATOM 2683 CB LEU B 71 -9.479 -9.579 -0.234 1.00 0.99 C ATOM 2684 CG LEU B 71 -9.229 -11.005 -0.510 1.00 0.78 C ATOM 2685 CD1 LEU B 71 -8.335 -11.674 0.526 1.00 1.89 C ATOM 2686 CD2 LEU B 71 -10.549 -11.661 -0.718 1.00 1.25 C ATOM 0 H LEU B 71 -9.349 -7.700 1.813 1.00 0.79 H new ATOM 0 HA LEU B 71 -11.430 -9.434 0.704 1.00 0.83 H new ATOM 0 HB2 LEU B 71 -9.907 -9.131 -1.131 1.00 0.99 H new ATOM 0 HB3 LEU B 71 -8.518 -9.094 -0.063 1.00 0.99 H new ATOM 0 HG LEU B 71 -8.641 -11.115 -1.421 1.00 0.78 H new ATOM 0 HD11 LEU B 71 -8.193 -12.722 0.261 1.00 1.89 H new ATOM 0 HD12 LEU B 71 -7.368 -11.171 0.551 1.00 1.89 H new ATOM 0 HD13 LEU B 71 -8.804 -11.608 1.508 1.00 1.89 H new ATOM 0 HD21 LEU B 71 -10.400 -12.721 -0.925 1.00 1.25 H new ATOM 0 HD22 LEU B 71 -11.157 -11.549 0.180 1.00 1.25 H new ATOM 0 HD23 LEU B 71 -11.058 -11.195 -1.561 1.00 1.25 H new ATOM 2698 N ARG B 72 -10.954 -11.218 2.230 1.00 0.77 N ATOM 2699 CA ARG B 72 -10.793 -12.229 3.255 1.00 0.80 C ATOM 2700 C ARG B 72 -10.251 -13.487 2.569 1.00 0.69 C ATOM 2701 O ARG B 72 -9.435 -14.215 3.128 1.00 0.76 O ATOM 2702 CB ARG B 72 -12.120 -12.535 3.952 1.00 0.91 C ATOM 2703 CG ARG B 72 -13.064 -11.352 4.027 1.00 1.00 C ATOM 2704 CD ARG B 72 -12.397 -10.120 4.613 1.00 1.06 C ATOM 2705 NE ARG B 72 -11.555 -10.429 5.769 1.00 1.30 N ATOM 2706 CZ ARG B 72 -11.290 -9.565 6.747 1.00 1.18 C ATOM 2707 NH1 ARG B 72 -11.785 -8.334 6.712 1.00 1.55 N ATOM 2708 NH2 ARG B 72 -10.519 -9.933 7.761 1.00 1.42 N ATOM 0 H ARG B 72 -11.723 -11.400 1.585 1.00 0.77 H new ATOM 0 HA ARG B 72 -10.107 -11.874 4.024 1.00 0.80 H new ATOM 0 HB2 ARG B 72 -12.616 -13.350 3.425 1.00 0.91 H new ATOM 0 HB3 ARG B 72 -11.915 -12.888 4.963 1.00 0.91 H new ATOM 0 HG2 ARG B 72 -13.435 -11.122 3.028 1.00 1.00 H new ATOM 0 HG3 ARG B 72 -13.929 -11.618 4.634 1.00 1.00 H new ATOM 0 HD2 ARG B 72 -11.790 -9.640 3.845 1.00 1.06 H new ATOM 0 HD3 ARG B 72 -13.163 -9.403 4.908 1.00 1.06 H new ATOM 0 HE ARG B 72 -11.147 -11.362 5.829 1.00 1.30 H new ATOM 0 HH11 ARG B 72 -12.374 -8.043 5.932 1.00 1.55 H new ATOM 0 HH12 ARG B 72 -11.577 -7.679 7.466 1.00 1.55 H new ATOM 0 HH21 ARG B 72 -10.131 -10.876 7.790 1.00 1.42 H new ATOM 0 HH22 ARG B 72 -10.314 -9.273 8.512 1.00 1.42 H new ATOM 2722 N PHE B 73 -10.680 -13.682 1.308 1.00 0.60 N ATOM 2723 CA PHE B 73 -10.250 -14.821 0.490 1.00 0.57 C ATOM 2724 C PHE B 73 -9.052 -14.496 -0.466 1.00 0.52 C ATOM 2725 O PHE B 73 -7.930 -14.447 0.001 1.00 0.63 O ATOM 2726 CB PHE B 73 -11.479 -15.468 -0.221 1.00 0.65 C ATOM 2727 CG PHE B 73 -12.057 -14.802 -1.457 1.00 0.59 C ATOM 2728 CD1 PHE B 73 -12.546 -13.507 -1.425 1.00 1.24 C ATOM 2729 CD2 PHE B 73 -12.114 -15.489 -2.659 1.00 1.36 C ATOM 2730 CE1 PHE B 73 -13.067 -12.905 -2.538 1.00 1.32 C ATOM 2731 CE2 PHE B 73 -12.642 -14.892 -3.790 1.00 1.44 C ATOM 2732 CZ PHE B 73 -13.119 -13.597 -3.730 1.00 0.87 C ATOM 0 H PHE B 73 -11.331 -13.056 0.834 1.00 0.60 H new ATOM 0 HA PHE B 73 -9.833 -15.572 1.161 1.00 0.57 H new ATOM 0 HB2 PHE B 73 -11.200 -16.485 -0.497 1.00 0.65 H new ATOM 0 HB3 PHE B 73 -12.280 -15.545 0.514 1.00 0.65 H new ATOM 0 HD1 PHE B 73 -12.515 -12.957 -0.496 1.00 1.24 H new ATOM 0 HD2 PHE B 73 -11.742 -16.502 -2.714 1.00 1.36 H new ATOM 0 HE1 PHE B 73 -13.436 -11.892 -2.483 1.00 1.32 H new ATOM 0 HE2 PHE B 73 -12.681 -15.439 -4.720 1.00 1.44 H new ATOM 0 HZ PHE B 73 -13.531 -13.129 -4.612 1.00 0.87 H new ATOM 2742 N SER B 74 -9.253 -14.202 -1.763 1.00 0.48 N ATOM 2743 CA SER B 74 -8.093 -14.001 -2.670 1.00 0.48 C ATOM 2744 C SER B 74 -8.014 -12.615 -3.285 1.00 0.42 C ATOM 2745 O SER B 74 -6.955 -12.201 -3.757 1.00 0.46 O ATOM 2746 CB SER B 74 -8.077 -15.029 -3.805 1.00 0.63 C ATOM 2747 OG SER B 74 -7.076 -16.012 -3.604 1.00 1.03 O ATOM 0 H SER B 74 -10.169 -14.100 -2.201 1.00 0.48 H new ATOM 0 HA SER B 74 -7.226 -14.129 -2.023 1.00 0.48 H new ATOM 0 HB2 SER B 74 -9.052 -15.511 -3.874 1.00 0.63 H new ATOM 0 HB3 SER B 74 -7.904 -14.522 -4.754 1.00 0.63 H new ATOM 0 HG SER B 74 -7.094 -16.653 -4.345 1.00 1.03 H new ATOM 2753 N GLU B 75 -9.111 -11.908 -3.283 1.00 0.43 N ATOM 2754 CA GLU B 75 -9.170 -10.550 -3.832 1.00 0.42 C ATOM 2755 C GLU B 75 -8.255 -9.531 -3.109 1.00 0.42 C ATOM 2756 O GLU B 75 -8.484 -8.328 -3.221 1.00 0.56 O ATOM 2757 CB GLU B 75 -10.597 -10.038 -3.714 1.00 0.44 C ATOM 2758 CG GLU B 75 -11.652 -10.951 -4.300 1.00 0.59 C ATOM 2759 CD GLU B 75 -11.779 -10.816 -5.804 1.00 0.93 C ATOM 2760 OE1 GLU B 75 -12.524 -9.923 -6.260 1.00 1.41 O ATOM 2761 OE2 GLU B 75 -11.134 -11.604 -6.527 1.00 1.60 O ATOM 0 H GLU B 75 -9.997 -12.243 -2.905 1.00 0.43 H new ATOM 0 HA GLU B 75 -8.825 -10.627 -4.863 1.00 0.42 H new ATOM 0 HB2 GLU B 75 -10.823 -9.875 -2.660 1.00 0.44 H new ATOM 0 HB3 GLU B 75 -10.662 -9.068 -4.208 1.00 0.44 H new ATOM 0 HG2 GLU B 75 -11.409 -11.984 -4.052 1.00 0.59 H new ATOM 0 HG3 GLU B 75 -12.614 -10.730 -3.838 1.00 0.59 H new ATOM 2768 N TYR B 76 -7.230 -9.985 -2.379 1.00 0.38 N ATOM 2769 CA TYR B 76 -6.380 -9.076 -1.646 1.00 0.38 C ATOM 2770 C TYR B 76 -5.619 -8.184 -2.599 1.00 0.39 C ATOM 2771 O TYR B 76 -5.258 -7.056 -2.269 1.00 0.42 O ATOM 2772 CB TYR B 76 -5.432 -9.834 -0.713 1.00 0.40 C ATOM 2773 CG TYR B 76 -5.878 -9.882 0.725 1.00 0.41 C ATOM 2774 CD1 TYR B 76 -6.650 -8.873 1.279 1.00 1.22 C ATOM 2775 CD2 TYR B 76 -5.548 -10.966 1.522 1.00 1.29 C ATOM 2776 CE1 TYR B 76 -7.076 -8.931 2.571 1.00 1.26 C ATOM 2777 CE2 TYR B 76 -5.978 -11.038 2.829 1.00 1.29 C ATOM 2778 CZ TYR B 76 -6.745 -10.018 3.352 1.00 0.48 C ATOM 2779 OH TYR B 76 -7.177 -10.081 4.656 1.00 0.54 O ATOM 0 H TYR B 76 -6.981 -10.970 -2.288 1.00 0.38 H new ATOM 0 HA TYR B 76 -7.012 -8.445 -1.021 1.00 0.38 H new ATOM 0 HB2 TYR B 76 -5.320 -10.854 -1.080 1.00 0.40 H new ATOM 0 HB3 TYR B 76 -4.447 -9.369 -0.760 1.00 0.40 H new ATOM 0 HD1 TYR B 76 -6.920 -8.021 0.672 1.00 1.22 H new ATOM 0 HD2 TYR B 76 -4.946 -11.765 1.114 1.00 1.29 H new ATOM 0 HE1 TYR B 76 -7.671 -8.129 2.982 1.00 1.26 H new ATOM 0 HE2 TYR B 76 -5.716 -11.889 3.441 1.00 1.29 H new ATOM 0 HH TYR B 76 -8.156 -10.048 4.678 1.00 0.54 H new ATOM 2789 N TRP B 77 -5.387 -8.695 -3.794 1.00 0.40 N ATOM 2790 CA TRP B 77 -4.720 -7.909 -4.826 1.00 0.43 C ATOM 2791 C TRP B 77 -5.515 -6.633 -5.057 1.00 0.45 C ATOM 2792 O TRP B 77 -5.017 -5.684 -5.649 1.00 0.50 O ATOM 2793 CB TRP B 77 -4.632 -8.702 -6.126 1.00 0.45 C ATOM 2794 CG TRP B 77 -5.982 -9.018 -6.681 1.00 0.45 C ATOM 2795 CD1 TRP B 77 -6.895 -8.122 -7.141 1.00 0.50 C ATOM 2796 CD2 TRP B 77 -6.582 -10.309 -6.809 1.00 0.46 C ATOM 2797 NE1 TRP B 77 -8.020 -8.774 -7.563 1.00 0.53 N ATOM 2798 CE2 TRP B 77 -7.857 -10.121 -7.369 1.00 0.51 C ATOM 2799 CE3 TRP B 77 -6.164 -11.605 -6.511 1.00 0.47 C ATOM 2800 CZ2 TRP B 77 -8.718 -11.183 -7.634 1.00 0.56 C ATOM 2801 CZ3 TRP B 77 -7.017 -12.658 -6.770 1.00 0.53 C ATOM 2802 CH2 TRP B 77 -8.280 -12.443 -7.326 1.00 0.56 C ATOM 0 H TRP B 77 -5.646 -9.640 -4.076 1.00 0.40 H new ATOM 0 HA TRP B 77 -3.708 -7.668 -4.501 1.00 0.43 H new ATOM 0 HB2 TRP B 77 -4.062 -8.132 -6.860 1.00 0.45 H new ATOM 0 HB3 TRP B 77 -4.087 -9.629 -5.949 1.00 0.45 H new ATOM 0 HD1 TRP B 77 -6.752 -7.052 -7.169 1.00 0.50 H new ATOM 0 HE1 TRP B 77 -8.848 -8.329 -7.959 1.00 0.53 H new ATOM 0 HE3 TRP B 77 -5.188 -11.782 -6.084 1.00 0.47 H new ATOM 0 HZ2 TRP B 77 -9.694 -11.019 -8.066 1.00 0.56 H new ATOM 0 HZ3 TRP B 77 -6.703 -13.665 -6.539 1.00 0.53 H new ATOM 0 HH2 TRP B 77 -8.925 -13.288 -7.517 1.00 0.56 H new ATOM 2813 N ARG B 78 -6.776 -6.625 -4.618 1.00 0.43 N ATOM 2814 CA ARG B 78 -7.602 -5.457 -4.759 1.00 0.47 C ATOM 2815 C ARG B 78 -7.107 -4.351 -3.834 1.00 0.49 C ATOM 2816 O ARG B 78 -7.316 -3.173 -4.111 1.00 0.62 O ATOM 2817 CB ARG B 78 -9.062 -5.814 -4.496 1.00 0.50 C ATOM 2818 CG ARG B 78 -9.607 -6.792 -5.514 1.00 0.61 C ATOM 2819 CD ARG B 78 -10.035 -6.087 -6.790 1.00 0.77 C ATOM 2820 NE ARG B 78 -10.638 -7.006 -7.749 1.00 1.49 N ATOM 2821 CZ ARG B 78 -10.745 -6.751 -9.048 1.00 1.76 C ATOM 2822 NH1 ARG B 78 -10.289 -5.607 -9.541 1.00 1.37 N ATOM 2823 NH2 ARG B 78 -11.306 -7.639 -9.856 1.00 2.83 N ATOM 0 H ARG B 78 -7.232 -7.418 -4.166 1.00 0.43 H new ATOM 0 HA ARG B 78 -7.535 -5.083 -5.781 1.00 0.47 H new ATOM 0 HB2 ARG B 78 -9.155 -6.243 -3.498 1.00 0.50 H new ATOM 0 HB3 ARG B 78 -9.664 -4.905 -4.510 1.00 0.50 H new ATOM 0 HG2 ARG B 78 -8.847 -7.538 -5.747 1.00 0.61 H new ATOM 0 HG3 ARG B 78 -10.457 -7.325 -5.089 1.00 0.61 H new ATOM 0 HD2 ARG B 78 -10.747 -5.299 -6.547 1.00 0.77 H new ATOM 0 HD3 ARG B 78 -9.170 -5.605 -7.245 1.00 0.77 H new ATOM 0 HE ARG B 78 -10.998 -7.895 -7.402 1.00 1.49 H new ATOM 0 HH11 ARG B 78 -9.855 -4.922 -8.922 1.00 1.37 H new ATOM 0 HH12 ARG B 78 -10.372 -5.413 -10.539 1.00 1.37 H new ATOM 0 HH21 ARG B 78 -11.657 -8.520 -9.481 1.00 2.83 H new ATOM 0 HH22 ARG B 78 -11.387 -7.441 -10.853 1.00 2.83 H new ATOM 2837 N LEU B 79 -6.437 -4.733 -2.737 1.00 0.42 N ATOM 2838 CA LEU B 79 -5.875 -3.752 -1.814 1.00 0.45 C ATOM 2839 C LEU B 79 -4.650 -3.122 -2.454 1.00 0.46 C ATOM 2840 O LEU B 79 -4.253 -2.009 -2.109 1.00 0.53 O ATOM 2841 CB LEU B 79 -5.428 -4.371 -0.475 1.00 0.53 C ATOM 2842 CG LEU B 79 -6.074 -5.684 -0.012 1.00 0.62 C ATOM 2843 CD1 LEU B 79 -4.991 -6.648 0.456 1.00 1.23 C ATOM 2844 CD2 LEU B 79 -7.038 -5.421 1.132 1.00 0.88 C ATOM 0 H LEU B 79 -6.275 -5.705 -2.474 1.00 0.42 H new ATOM 0 HA LEU B 79 -6.660 -3.024 -1.610 1.00 0.45 H new ATOM 0 HB2 LEU B 79 -4.352 -4.535 -0.531 1.00 0.53 H new ATOM 0 HB3 LEU B 79 -5.597 -3.628 0.304 1.00 0.53 H new ATOM 0 HG LEU B 79 -6.621 -6.120 -0.848 1.00 0.62 H new ATOM 0 HD11 LEU B 79 -5.451 -7.580 0.785 1.00 1.23 H new ATOM 0 HD12 LEU B 79 -4.305 -6.852 -0.366 1.00 1.23 H new ATOM 0 HD13 LEU B 79 -4.441 -6.203 1.285 1.00 1.23 H new ATOM 0 HD21 LEU B 79 -7.489 -6.361 1.451 1.00 0.88 H new ATOM 0 HD22 LEU B 79 -6.498 -4.976 1.968 1.00 0.88 H new ATOM 0 HD23 LEU B 79 -7.819 -4.738 0.800 1.00 0.88 H new ATOM 2856 N ILE B 80 -4.054 -3.852 -3.392 1.00 0.44 N ATOM 2857 CA ILE B 80 -2.860 -3.411 -4.080 1.00 0.48 C ATOM 2858 C ILE B 80 -2.923 -1.914 -4.431 1.00 0.48 C ATOM 2859 O ILE B 80 -2.017 -1.154 -4.091 1.00 0.51 O ATOM 2860 CB ILE B 80 -2.613 -4.299 -5.336 1.00 0.52 C ATOM 2861 CG1 ILE B 80 -1.120 -4.366 -5.643 1.00 0.59 C ATOM 2862 CG2 ILE B 80 -3.377 -3.787 -6.554 1.00 0.55 C ATOM 2863 CD1 ILE B 80 -0.790 -5.232 -6.837 1.00 1.16 C ATOM 0 H ILE B 80 -4.391 -4.767 -3.692 1.00 0.44 H new ATOM 0 HA ILE B 80 -2.010 -3.529 -3.408 1.00 0.48 H new ATOM 0 HB ILE B 80 -2.984 -5.299 -5.112 1.00 0.52 H new ATOM 0 HG12 ILE B 80 -0.748 -3.357 -5.822 1.00 0.59 H new ATOM 0 HG13 ILE B 80 -0.594 -4.750 -4.769 1.00 0.59 H new ATOM 0 HG21 ILE B 80 -3.177 -4.435 -7.408 1.00 0.55 H new ATOM 0 HG22 ILE B 80 -4.446 -3.788 -6.340 1.00 0.55 H new ATOM 0 HG23 ILE B 80 -3.055 -2.772 -6.785 1.00 0.55 H new ATOM 0 HD11 ILE B 80 0.288 -5.234 -6.998 1.00 1.16 H new ATOM 0 HD12 ILE B 80 -1.132 -6.251 -6.653 1.00 1.16 H new ATOM 0 HD13 ILE B 80 -1.288 -4.836 -7.722 1.00 1.16 H new ATOM 2875 N GLY B 81 -3.992 -1.500 -5.105 1.00 0.47 N ATOM 2876 CA GLY B 81 -4.147 -0.100 -5.464 1.00 0.49 C ATOM 2877 C GLY B 81 -4.728 0.742 -4.334 1.00 0.43 C ATOM 2878 O GLY B 81 -4.800 1.966 -4.445 1.00 0.43 O ATOM 0 H GLY B 81 -4.753 -2.107 -5.409 1.00 0.47 H new ATOM 0 HA2 GLY B 81 -3.177 0.306 -5.751 1.00 0.49 H new ATOM 0 HA3 GLY B 81 -4.795 -0.024 -6.337 1.00 0.49 H new ATOM 2882 N GLU B 82 -5.148 0.088 -3.250 1.00 0.42 N ATOM 2883 CA GLU B 82 -5.742 0.776 -2.113 1.00 0.39 C ATOM 2884 C GLU B 82 -4.686 1.382 -1.216 1.00 0.33 C ATOM 2885 O GLU B 82 -4.636 2.594 -1.022 1.00 0.34 O ATOM 2886 CB GLU B 82 -6.560 -0.198 -1.311 1.00 0.44 C ATOM 2887 CG GLU B 82 -7.638 -0.882 -2.127 1.00 0.46 C ATOM 2888 CD GLU B 82 -8.674 0.089 -2.657 1.00 0.72 C ATOM 2889 OE1 GLU B 82 -9.557 0.500 -1.875 1.00 1.39 O ATOM 2890 OE2 GLU B 82 -8.603 0.439 -3.854 1.00 1.48 O ATOM 0 H GLU B 82 -5.085 -0.924 -3.140 1.00 0.42 H new ATOM 0 HA GLU B 82 -6.370 1.579 -2.499 1.00 0.39 H new ATOM 0 HB2 GLU B 82 -5.900 -0.954 -0.886 1.00 0.44 H new ATOM 0 HB3 GLU B 82 -7.023 0.327 -0.476 1.00 0.44 H new ATOM 0 HG2 GLU B 82 -7.177 -1.407 -2.963 1.00 0.46 H new ATOM 0 HG3 GLU B 82 -8.132 -1.634 -1.512 1.00 0.46 H new ATOM 2897 N LEU B 83 -3.834 0.523 -0.671 1.00 0.34 N ATOM 2898 CA LEU B 83 -2.762 0.968 0.202 1.00 0.35 C ATOM 2899 C LEU B 83 -1.965 2.052 -0.490 1.00 0.34 C ATOM 2900 O LEU B 83 -1.266 2.833 0.152 1.00 0.41 O ATOM 2901 CB LEU B 83 -1.844 -0.200 0.568 1.00 0.43 C ATOM 2902 CG LEU B 83 -2.419 -1.206 1.567 1.00 0.50 C ATOM 2903 CD1 LEU B 83 -3.585 -1.965 0.956 1.00 1.27 C ATOM 2904 CD2 LEU B 83 -1.334 -2.168 2.028 1.00 1.31 C ATOM 0 H LEU B 83 -3.867 -0.486 -0.820 1.00 0.34 H new ATOM 0 HA LEU B 83 -3.197 1.364 1.120 1.00 0.35 H new ATOM 0 HB2 LEU B 83 -1.582 -0.733 -0.346 1.00 0.43 H new ATOM 0 HB3 LEU B 83 -0.918 0.204 0.978 1.00 0.43 H new ATOM 0 HG LEU B 83 -2.790 -0.659 2.434 1.00 0.50 H new ATOM 0 HD11 LEU B 83 -3.978 -2.675 1.684 1.00 1.27 H new ATOM 0 HD12 LEU B 83 -4.369 -1.262 0.674 1.00 1.27 H new ATOM 0 HD13 LEU B 83 -3.245 -2.503 0.071 1.00 1.27 H new ATOM 0 HD21 LEU B 83 -1.756 -2.879 2.739 1.00 1.31 H new ATOM 0 HD22 LEU B 83 -0.936 -2.707 1.168 1.00 1.31 H new ATOM 0 HD23 LEU B 83 -0.531 -1.608 2.508 1.00 1.31 H new ATOM 2916 N ALA B 84 -2.062 2.082 -1.813 1.00 0.34 N ATOM 2917 CA ALA B 84 -1.368 3.088 -2.580 1.00 0.37 C ATOM 2918 C ALA B 84 -2.064 4.439 -2.502 1.00 0.41 C ATOM 2919 O ALA B 84 -1.405 5.477 -2.569 1.00 0.47 O ATOM 2920 CB ALA B 84 -1.242 2.659 -4.022 1.00 0.41 C ATOM 0 H ALA B 84 -2.611 1.424 -2.366 1.00 0.34 H new ATOM 0 HA ALA B 84 -0.374 3.197 -2.147 1.00 0.37 H new ATOM 0 HB1 ALA B 84 -0.716 3.429 -4.586 1.00 0.41 H new ATOM 0 HB2 ALA B 84 -0.683 1.725 -4.076 1.00 0.41 H new ATOM 0 HB3 ALA B 84 -2.235 2.513 -4.446 1.00 0.41 H new ATOM 2926 N LYS B 85 -3.400 4.433 -2.374 1.00 0.42 N ATOM 2927 CA LYS B 85 -4.165 5.685 -2.281 1.00 0.51 C ATOM 2928 C LYS B 85 -3.459 6.671 -1.408 1.00 0.50 C ATOM 2929 O LYS B 85 -2.924 7.674 -1.863 1.00 0.67 O ATOM 2930 CB LYS B 85 -5.571 5.445 -1.734 1.00 0.62 C ATOM 2931 CG LYS B 85 -6.625 5.327 -2.816 1.00 1.19 C ATOM 2932 CD LYS B 85 -7.052 3.886 -3.013 1.00 1.44 C ATOM 2933 CE LYS B 85 -7.795 3.359 -1.795 1.00 1.56 C ATOM 2934 NZ LYS B 85 -8.901 4.264 -1.378 1.00 2.69 N ATOM 0 H LYS B 85 -3.967 3.586 -2.333 1.00 0.42 H new ATOM 0 HA LYS B 85 -4.248 6.086 -3.291 1.00 0.51 H new ATOM 0 HB2 LYS B 85 -5.570 4.533 -1.137 1.00 0.62 H new ATOM 0 HB3 LYS B 85 -5.837 6.263 -1.065 1.00 0.62 H new ATOM 0 HG2 LYS B 85 -7.492 5.932 -2.550 1.00 1.19 H new ATOM 0 HG3 LYS B 85 -6.234 5.724 -3.753 1.00 1.19 H new ATOM 0 HD2 LYS B 85 -7.691 3.811 -3.893 1.00 1.44 H new ATOM 0 HD3 LYS B 85 -6.175 3.267 -3.203 1.00 1.44 H new ATOM 0 HE2 LYS B 85 -8.200 2.372 -2.017 1.00 1.56 H new ATOM 0 HE3 LYS B 85 -7.095 3.238 -0.968 1.00 1.56 H new ATOM 0 HZ1 LYS B 85 -9.688 3.699 -0.999 1.00 2.69 H new ATOM 0 HZ2 LYS B 85 -8.558 4.916 -0.644 1.00 2.69 H new ATOM 0 HZ3 LYS B 85 -9.231 4.810 -2.199 1.00 2.69 H new ATOM 2948 N GLU B 86 -3.428 6.326 -0.166 1.00 0.44 N ATOM 2949 CA GLU B 86 -2.791 7.127 0.854 1.00 0.45 C ATOM 2950 C GLU B 86 -1.425 7.627 0.390 1.00 0.44 C ATOM 2951 O GLU B 86 -1.055 8.772 0.639 1.00 0.48 O ATOM 2952 CB GLU B 86 -2.644 6.303 2.130 1.00 0.48 C ATOM 2953 CG GLU B 86 -2.341 4.838 1.875 1.00 0.98 C ATOM 2954 CD GLU B 86 -1.189 4.325 2.711 1.00 2.07 C ATOM 2955 OE1 GLU B 86 -0.106 4.936 2.657 1.00 2.90 O ATOM 2956 OE2 GLU B 86 -1.371 3.313 3.421 1.00 2.60 O ATOM 0 H GLU B 86 -3.848 5.467 0.188 1.00 0.44 H new ATOM 0 HA GLU B 86 -3.416 7.998 1.051 1.00 0.45 H new ATOM 0 HB2 GLU B 86 -1.847 6.730 2.738 1.00 0.48 H new ATOM 0 HB3 GLU B 86 -3.564 6.380 2.710 1.00 0.48 H new ATOM 0 HG2 GLU B 86 -3.231 4.245 2.087 1.00 0.98 H new ATOM 0 HG3 GLU B 86 -2.109 4.698 0.819 1.00 0.98 H new ATOM 2963 N VAL B 87 -0.689 6.759 -0.295 1.00 0.44 N ATOM 2964 CA VAL B 87 0.634 7.107 -0.795 1.00 0.46 C ATOM 2965 C VAL B 87 0.563 7.913 -2.094 1.00 0.46 C ATOM 2966 O VAL B 87 1.547 8.531 -2.500 1.00 0.54 O ATOM 2967 CB VAL B 87 1.507 5.845 -1.011 1.00 0.55 C ATOM 2968 CG1 VAL B 87 2.779 6.185 -1.770 1.00 1.01 C ATOM 2969 CG2 VAL B 87 1.835 5.196 0.325 1.00 0.81 C ATOM 0 H VAL B 87 -0.987 5.809 -0.516 1.00 0.44 H new ATOM 0 HA VAL B 87 1.098 7.731 -0.031 1.00 0.46 H new ATOM 0 HB VAL B 87 0.939 5.135 -1.613 1.00 0.55 H new ATOM 0 HG11 VAL B 87 3.373 5.282 -1.908 1.00 1.01 H new ATOM 0 HG12 VAL B 87 2.521 6.602 -2.744 1.00 1.01 H new ATOM 0 HG13 VAL B 87 3.356 6.916 -1.204 1.00 1.01 H new ATOM 0 HG21 VAL B 87 2.449 4.311 0.159 1.00 0.81 H new ATOM 0 HG22 VAL B 87 2.381 5.904 0.949 1.00 0.81 H new ATOM 0 HG23 VAL B 87 0.911 4.908 0.826 1.00 0.81 H new ATOM 2979 N ARG B 88 -0.590 7.907 -2.738 1.00 0.49 N ATOM 2980 CA ARG B 88 -0.752 8.619 -3.997 1.00 0.51 C ATOM 2981 C ARG B 88 -0.687 10.136 -3.819 1.00 0.50 C ATOM 2982 O ARG B 88 0.271 10.772 -4.248 1.00 0.58 O ATOM 2983 CB ARG B 88 -2.068 8.204 -4.653 1.00 0.56 C ATOM 2984 CG ARG B 88 -2.182 8.628 -6.107 1.00 0.67 C ATOM 2985 CD ARG B 88 -3.513 8.207 -6.708 1.00 1.33 C ATOM 2986 NE ARG B 88 -3.628 8.602 -8.109 1.00 1.83 N ATOM 2987 CZ ARG B 88 -4.781 8.640 -8.770 1.00 2.72 C ATOM 2988 NH1 ARG B 88 -5.909 8.312 -8.157 1.00 3.25 N ATOM 2989 NH2 ARG B 88 -4.804 9.007 -10.044 1.00 3.50 N ATOM 0 H ARG B 88 -1.426 7.420 -2.414 1.00 0.49 H new ATOM 0 HA ARG B 88 0.080 8.347 -4.646 1.00 0.51 H new ATOM 0 HB2 ARG B 88 -2.170 7.121 -4.590 1.00 0.56 H new ATOM 0 HB3 ARG B 88 -2.896 8.635 -4.091 1.00 0.56 H new ATOM 0 HG2 ARG B 88 -2.074 9.710 -6.181 1.00 0.67 H new ATOM 0 HG3 ARG B 88 -1.367 8.187 -6.681 1.00 0.67 H new ATOM 0 HD2 ARG B 88 -3.622 7.126 -6.626 1.00 1.33 H new ATOM 0 HD3 ARG B 88 -4.327 8.654 -6.137 1.00 1.33 H new ATOM 0 HE ARG B 88 -2.777 8.863 -8.608 1.00 1.83 H new ATOM 0 HH11 ARG B 88 -5.893 8.030 -7.177 1.00 3.25 H new ATOM 0 HH12 ARG B 88 -6.793 8.342 -8.665 1.00 3.25 H new ATOM 0 HH21 ARG B 88 -3.937 9.260 -10.517 1.00 3.50 H new ATOM 0 HH22 ARG B 88 -5.689 9.036 -10.551 1.00 3.50 H new ATOM 3003 N LYS B 89 -1.702 10.708 -3.187 1.00 0.47 N ATOM 3004 CA LYS B 89 -1.750 12.157 -2.972 1.00 0.49 C ATOM 3005 C LYS B 89 -0.635 12.613 -2.048 1.00 0.48 C ATOM 3006 O LYS B 89 -0.123 13.726 -2.168 1.00 0.53 O ATOM 3007 CB LYS B 89 -3.100 12.584 -2.384 1.00 0.56 C ATOM 3008 CG LYS B 89 -3.268 12.299 -0.890 1.00 0.69 C ATOM 3009 CD LYS B 89 -4.385 11.315 -0.639 1.00 1.55 C ATOM 3010 CE LYS B 89 -3.991 9.911 -1.026 1.00 2.46 C ATOM 3011 NZ LYS B 89 -4.571 9.518 -2.344 1.00 3.29 N ATOM 0 H LYS B 89 -2.503 10.198 -2.814 1.00 0.47 H new ATOM 0 HA LYS B 89 -1.619 12.629 -3.946 1.00 0.49 H new ATOM 0 HB2 LYS B 89 -3.232 13.653 -2.553 1.00 0.56 H new ATOM 0 HB3 LYS B 89 -3.895 12.075 -2.928 1.00 0.56 H new ATOM 0 HG2 LYS B 89 -2.336 11.904 -0.486 1.00 0.69 H new ATOM 0 HG3 LYS B 89 -3.475 13.230 -0.362 1.00 0.69 H new ATOM 0 HD2 LYS B 89 -4.660 11.338 0.416 1.00 1.55 H new ATOM 0 HD3 LYS B 89 -5.267 11.614 -1.205 1.00 1.55 H new ATOM 0 HE2 LYS B 89 -2.904 9.837 -1.070 1.00 2.46 H new ATOM 0 HE3 LYS B 89 -4.327 9.214 -0.258 1.00 2.46 H new ATOM 0 HZ1 LYS B 89 -4.172 8.604 -2.640 1.00 3.29 H new ATOM 0 HZ2 LYS B 89 -5.604 9.433 -2.257 1.00 3.29 H new ATOM 0 HZ3 LYS B 89 -4.342 10.243 -3.054 1.00 3.29 H new ATOM 3025 N GLU B 90 -0.269 11.742 -1.126 1.00 0.47 N ATOM 3026 CA GLU B 90 0.768 12.040 -0.164 1.00 0.52 C ATOM 3027 C GLU B 90 2.131 12.146 -0.838 1.00 0.56 C ATOM 3028 O GLU B 90 3.109 12.556 -0.212 1.00 0.62 O ATOM 3029 CB GLU B 90 0.768 10.969 0.917 1.00 0.56 C ATOM 3030 CG GLU B 90 -0.413 11.078 1.868 1.00 0.62 C ATOM 3031 CD GLU B 90 -0.345 10.069 3.000 1.00 1.24 C ATOM 3032 OE1 GLU B 90 0.545 10.209 3.866 1.00 1.93 O ATOM 3033 OE2 GLU B 90 -1.182 9.143 3.025 1.00 1.93 O ATOM 0 H GLU B 90 -0.681 10.814 -1.025 1.00 0.47 H new ATOM 0 HA GLU B 90 0.564 13.008 0.294 1.00 0.52 H new ATOM 0 HB2 GLU B 90 0.757 9.986 0.446 1.00 0.56 H new ATOM 0 HB3 GLU B 90 1.694 11.038 1.488 1.00 0.56 H new ATOM 0 HG2 GLU B 90 -0.448 12.085 2.285 1.00 0.62 H new ATOM 0 HG3 GLU B 90 -1.338 10.932 1.311 1.00 0.62 H new ATOM 3040 N LYS B 91 2.198 11.773 -2.117 1.00 0.54 N ATOM 3041 CA LYS B 91 3.442 11.854 -2.858 1.00 0.61 C ATOM 3042 C LYS B 91 3.899 13.301 -2.974 1.00 0.63 C ATOM 3043 O LYS B 91 5.053 13.626 -2.699 1.00 0.70 O ATOM 3044 CB LYS B 91 3.283 11.234 -4.247 1.00 0.62 C ATOM 3045 CG LYS B 91 2.522 12.105 -5.238 1.00 0.61 C ATOM 3046 CD LYS B 91 2.246 11.363 -6.535 1.00 0.67 C ATOM 3047 CE LYS B 91 1.405 12.198 -7.487 1.00 0.70 C ATOM 3048 NZ LYS B 91 2.068 13.484 -7.835 1.00 1.38 N ATOM 0 H LYS B 91 1.407 11.415 -2.652 1.00 0.54 H new ATOM 0 HA LYS B 91 4.201 11.292 -2.314 1.00 0.61 H new ATOM 0 HB2 LYS B 91 4.272 11.021 -4.653 1.00 0.62 H new ATOM 0 HB3 LYS B 91 2.767 10.279 -4.149 1.00 0.62 H new ATOM 0 HG2 LYS B 91 1.580 12.425 -4.793 1.00 0.61 H new ATOM 0 HG3 LYS B 91 3.098 13.006 -5.449 1.00 0.61 H new ATOM 0 HD2 LYS B 91 3.190 11.103 -7.014 1.00 0.67 H new ATOM 0 HD3 LYS B 91 1.730 10.428 -6.318 1.00 0.67 H new ATOM 0 HE2 LYS B 91 1.216 11.629 -8.398 1.00 0.70 H new ATOM 0 HE3 LYS B 91 0.436 12.401 -7.031 1.00 0.70 H new ATOM 0 HZ1 LYS B 91 1.558 13.936 -8.621 1.00 1.38 H new ATOM 0 HZ2 LYS B 91 2.058 14.115 -7.008 1.00 1.38 H new ATOM 0 HZ3 LYS B 91 3.052 13.302 -8.119 1.00 1.38 H new ATOM 3062 N ALA B 92 2.978 14.162 -3.384 1.00 0.60 N ATOM 3063 CA ALA B 92 3.273 15.582 -3.541 1.00 0.65 C ATOM 3064 C ALA B 92 3.215 16.325 -2.213 1.00 0.63 C ATOM 3065 O ALA B 92 3.802 17.394 -2.073 1.00 0.69 O ATOM 3066 CB ALA B 92 2.323 16.210 -4.547 1.00 0.73 C ATOM 0 H ALA B 92 2.019 13.903 -3.615 1.00 0.60 H new ATOM 0 HA ALA B 92 4.293 15.667 -3.915 1.00 0.65 H new ATOM 0 HB1 ALA B 92 2.555 17.270 -4.654 1.00 0.73 H new ATOM 0 HB2 ALA B 92 2.435 15.715 -5.512 1.00 0.73 H new ATOM 0 HB3 ALA B 92 1.297 16.097 -4.198 1.00 0.73 H new ATOM 3072 N LEU B 93 2.480 15.782 -1.253 1.00 0.62 N ATOM 3073 CA LEU B 93 2.380 16.414 0.056 1.00 0.65 C ATOM 3074 C LEU B 93 3.578 16.053 0.926 1.00 0.59 C ATOM 3075 O LEU B 93 4.011 16.844 1.765 1.00 0.63 O ATOM 3076 CB LEU B 93 1.092 16.011 0.762 1.00 0.74 C ATOM 3077 CG LEU B 93 0.771 16.851 1.996 1.00 0.81 C ATOM 3078 CD1 LEU B 93 -0.706 17.217 2.029 1.00 1.03 C ATOM 3079 CD2 LEU B 93 1.166 16.112 3.265 1.00 0.95 C ATOM 0 H LEU B 93 1.950 14.916 -1.352 1.00 0.62 H new ATOM 0 HA LEU B 93 2.370 17.493 -0.101 1.00 0.65 H new ATOM 0 HB2 LEU B 93 0.264 16.088 0.057 1.00 0.74 H new ATOM 0 HB3 LEU B 93 1.163 14.964 1.056 1.00 0.74 H new ATOM 0 HG LEU B 93 1.351 17.772 1.940 1.00 0.81 H new ATOM 0 HD11 LEU B 93 -0.913 17.815 2.916 1.00 1.03 H new ATOM 0 HD12 LEU B 93 -0.959 17.791 1.137 1.00 1.03 H new ATOM 0 HD13 LEU B 93 -1.306 16.307 2.057 1.00 1.03 H new ATOM 0 HD21 LEU B 93 0.929 16.727 4.133 1.00 0.95 H new ATOM 0 HD22 LEU B 93 0.616 15.173 3.325 1.00 0.95 H new ATOM 0 HD23 LEU B 93 2.236 15.906 3.248 1.00 0.95 H new ATOM 3091 N GLY B 94 4.108 14.851 0.716 1.00 0.53 N ATOM 3092 CA GLY B 94 5.249 14.379 1.485 1.00 0.51 C ATOM 3093 C GLY B 94 6.292 15.450 1.731 1.00 0.52 C ATOM 3094 O GLY B 94 6.889 15.511 2.805 1.00 0.57 O ATOM 0 H GLY B 94 3.764 14.189 0.020 1.00 0.53 H new ATOM 0 HA2 GLY B 94 4.899 13.996 2.444 1.00 0.51 H new ATOM 0 HA3 GLY B 94 5.713 13.545 0.959 1.00 0.51 H new ATOM 3098 N ILE B 95 6.517 16.283 0.720 1.00 0.53 N ATOM 3099 CA ILE B 95 7.508 17.343 0.801 1.00 0.57 C ATOM 3100 C ILE B 95 7.153 18.392 1.838 1.00 0.60 C ATOM 3101 O ILE B 95 6.927 19.555 1.500 1.00 0.67 O ATOM 3102 CB ILE B 95 7.700 18.040 -0.557 1.00 0.63 C ATOM 3103 CG1 ILE B 95 6.353 18.445 -1.142 1.00 1.32 C ATOM 3104 CG2 ILE B 95 8.441 17.139 -1.508 1.00 1.13 C ATOM 3105 CD1 ILE B 95 6.461 19.386 -2.323 1.00 1.68 C ATOM 0 H ILE B 95 6.021 16.241 -0.170 1.00 0.53 H new ATOM 0 HA ILE B 95 8.436 16.856 1.100 1.00 0.57 H new ATOM 0 HB ILE B 95 8.293 18.942 -0.404 1.00 0.63 H new ATOM 0 HG12 ILE B 95 5.817 17.548 -1.451 1.00 1.32 H new ATOM 0 HG13 ILE B 95 5.757 18.920 -0.363 1.00 1.32 H new ATOM 0 HG21 ILE B 95 8.569 17.646 -2.464 1.00 1.13 H new ATOM 0 HG22 ILE B 95 9.419 16.896 -1.092 1.00 1.13 H new ATOM 0 HG23 ILE B 95 7.872 16.221 -1.657 1.00 1.13 H new ATOM 0 HD11 ILE B 95 5.463 19.630 -2.686 1.00 1.68 H new ATOM 0 HD12 ILE B 95 6.969 20.300 -2.015 1.00 1.68 H new ATOM 0 HD13 ILE B 95 7.029 18.906 -3.120 1.00 1.68 H new ATOM 3117 N ARG B 96 7.098 17.990 3.101 1.00 0.64 N ATOM 3118 CA ARG B 96 6.808 18.942 4.159 1.00 0.74 C ATOM 3119 C ARG B 96 7.865 20.042 4.123 1.00 0.82 C ATOM 3120 O ARG B 96 7.633 21.159 4.583 1.00 0.93 O ATOM 3121 CB ARG B 96 6.762 18.255 5.528 1.00 0.84 C ATOM 3122 CG ARG B 96 8.112 17.781 6.028 1.00 1.65 C ATOM 3123 CD ARG B 96 8.791 18.843 6.874 1.00 2.45 C ATOM 3124 NE ARG B 96 8.074 19.087 8.121 1.00 2.91 N ATOM 3125 CZ ARG B 96 8.445 19.997 9.016 1.00 3.85 C ATOM 3126 NH1 ARG B 96 9.521 20.740 8.802 1.00 4.47 N ATOM 3127 NH2 ARG B 96 7.740 20.163 10.125 1.00 4.48 N ATOM 0 H ARG B 96 7.247 17.030 3.412 1.00 0.64 H new ATOM 0 HA ARG B 96 5.823 19.379 3.997 1.00 0.74 H new ATOM 0 HB2 ARG B 96 6.340 18.947 6.256 1.00 0.84 H new ATOM 0 HB3 ARG B 96 6.087 17.401 5.472 1.00 0.84 H new ATOM 0 HG2 ARG B 96 7.986 16.871 6.615 1.00 1.65 H new ATOM 0 HG3 ARG B 96 8.748 17.527 5.180 1.00 1.65 H new ATOM 0 HD2 ARG B 96 9.811 18.531 7.097 1.00 2.45 H new ATOM 0 HD3 ARG B 96 8.858 19.771 6.306 1.00 2.45 H new ATOM 0 HE ARG B 96 7.243 18.529 8.317 1.00 2.91 H new ATOM 0 HH11 ARG B 96 10.066 20.614 7.949 1.00 4.47 H new ATOM 0 HH12 ARG B 96 9.804 21.438 9.490 1.00 4.47 H new ATOM 0 HH21 ARG B 96 6.912 19.592 10.293 1.00 4.48 H new ATOM 0 HH22 ARG B 96 8.026 20.862 10.811 1.00 4.48 H new ATOM 3141 N LYS B 97 9.035 19.706 3.565 1.00 0.82 N ATOM 3142 CA LYS B 97 10.115 20.672 3.421 1.00 0.94 C ATOM 3143 C LYS B 97 10.050 21.315 2.043 1.00 0.93 C ATOM 3144 O LYS B 97 10.729 20.887 1.111 1.00 0.98 O ATOM 3145 CB LYS B 97 11.498 20.033 3.640 1.00 1.07 C ATOM 3146 CG LYS B 97 11.575 18.551 3.298 1.00 1.00 C ATOM 3147 CD LYS B 97 11.216 17.697 4.498 1.00 1.56 C ATOM 3148 CE LYS B 97 10.560 16.396 4.078 1.00 1.83 C ATOM 3149 NZ LYS B 97 10.480 15.426 5.207 1.00 2.90 N ATOM 0 H LYS B 97 9.251 18.775 3.209 1.00 0.82 H new ATOM 0 HA LYS B 97 9.983 21.432 4.191 1.00 0.94 H new ATOM 0 HB2 LYS B 97 12.231 20.570 3.037 1.00 1.07 H new ATOM 0 HB3 LYS B 97 11.784 20.167 4.683 1.00 1.07 H new ATOM 0 HG2 LYS B 97 10.898 18.329 2.473 1.00 1.00 H new ATOM 0 HG3 LYS B 97 12.581 18.304 2.959 1.00 1.00 H new ATOM 0 HD2 LYS B 97 12.115 17.482 5.075 1.00 1.56 H new ATOM 0 HD3 LYS B 97 10.542 18.251 5.152 1.00 1.56 H new ATOM 0 HE2 LYS B 97 9.557 16.599 3.702 1.00 1.83 H new ATOM 0 HE3 LYS B 97 11.124 15.953 3.257 1.00 1.83 H new ATOM 0 HZ1 LYS B 97 10.057 14.537 4.872 1.00 2.90 H new ATOM 0 HZ2 LYS B 97 11.436 15.238 5.572 1.00 2.90 H new ATOM 0 HZ3 LYS B 97 9.892 15.825 5.966 1.00 2.90 H new ATOM 3163 N LYS B 98 9.216 22.342 1.926 1.00 0.96 N ATOM 3164 CA LYS B 98 9.047 23.052 0.666 1.00 1.06 C ATOM 3165 C LYS B 98 9.871 24.335 0.649 1.00 1.21 C ATOM 3166 O LYS B 98 11.026 24.288 0.175 1.00 1.61 O ATOM 3167 CB LYS B 98 7.569 23.379 0.436 1.00 1.07 C ATOM 3168 CG LYS B 98 6.664 22.157 0.424 1.00 1.07 C ATOM 3169 CD LYS B 98 5.275 22.504 -0.086 1.00 1.52 C ATOM 3170 CE LYS B 98 4.408 21.265 -0.229 1.00 2.00 C ATOM 3171 NZ LYS B 98 4.170 20.597 1.080 1.00 2.73 N ATOM 3172 OXT LYS B 98 9.355 25.376 1.108 1.00 1.70 O ATOM 0 H LYS B 98 8.645 22.701 2.691 1.00 0.96 H new ATOM 0 HA LYS B 98 9.399 22.405 -0.137 1.00 1.06 H new ATOM 0 HB2 LYS B 98 7.232 24.061 1.216 1.00 1.07 H new ATOM 0 HB3 LYS B 98 7.466 23.905 -0.513 1.00 1.07 H new ATOM 0 HG2 LYS B 98 7.102 21.383 -0.206 1.00 1.07 H new ATOM 0 HG3 LYS B 98 6.592 21.745 1.431 1.00 1.07 H new ATOM 0 HD2 LYS B 98 4.799 23.205 0.600 1.00 1.52 H new ATOM 0 HD3 LYS B 98 5.355 23.006 -1.050 1.00 1.52 H new ATOM 0 HE2 LYS B 98 3.452 21.541 -0.674 1.00 2.00 H new ATOM 0 HE3 LYS B 98 4.887 20.564 -0.912 1.00 2.00 H new ATOM 0 HZ1 LYS B 98 3.443 19.862 0.967 1.00 2.73 H new ATOM 0 HZ2 LYS B 98 5.054 20.162 1.413 1.00 2.73 H new ATOM 0 HZ3 LYS B 98 3.847 21.300 1.775 1.00 2.73 H new