USER MOD reduce.3.24.130724 H: found=0, std=0, add=682, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 682 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 59 HIS : no HD1:sc= -0.314 X(o=-1.5,f=-1.2) USER MOD Set 1.2: A 62 GLN : amide:sc= -1.14 X(o=-1.5,f=-1.2) USER MOD Set 2.1: A 5 ASN : amide:sc= -1.94 K(o=-4.3,f=-6.8!) USER MOD Set 2.2: A 18 ASN :FLIP amide:sc= -2.37 F(o=-13!,f=-4.3) USER MOD Single : A 1 MET CE :methyl -149:sc= 0 (180deg=-0.72) USER MOD Single : A 1 MET N :NH3+ -131:sc= 1.09 (180deg=-0.465) USER MOD Single : A 2 TYR OH : rot 180:sc= 0 USER MOD Single : A 9 LYS NZ :NH3+ -157:sc= -0.139 (180deg=-0.607) USER MOD Single : A 10 SER OG : rot 180:sc= -0.0191 USER MOD Single : A 11 GLN : amide:sc= -1.69 K(o=-1.7,f=-8.5!) USER MOD Single : A 16 LYS NZ :NH3+ -137:sc= -0.675! (180deg=-3.73!) USER MOD Single : A 24 SER OG : rot 69:sc= 1.23 USER MOD Single : A 28 TYR OH : rot 180:sc= -0.554 USER MOD Single : A 29 LYS NZ :NH3+ 173:sc= -1.74 (180deg=-1.85) USER MOD Single : A 33 ASN :FLIP amide:sc= -0.385 F(o=-4.2!,f=-0.38) USER MOD Single : A 40 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 45 GLN :FLIP amide:sc= 1.42 F(o=-0.15,f=1.4) USER MOD Single : A 48 ASN :FLIP amide:sc= 0.33 F(o=-0.54,f=0.33) USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 MET CE :methyl 142:sc= -0.125 (180deg=-0.639) USER MOD Single : A 60 TYR OH : rot 144:sc= -2.14! USER MOD Single : A 64 SER OG : rot 180:sc= -0.756 USER MOD Single : A 66 GLN :FLIP amide:sc= -5.28! C(o=-6.8!,f=-5.3!) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 SER OG : rot -150:sc= -0.687 USER MOD Single : A 75 TYR OH : rot 180:sc= 0 USER MOD Single : A 76 GLN :FLIP amide:sc= -2.21! C(o=-2.9!,f=-2.2!) USER MOD Single : A 77 LYS NZ :NH3+ -172:sc=-0.000552 (180deg=-0.0618) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 LYS NZ :NH3+ 139:sc= -1.56 (180deg=-4.08!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -6.308 9.056 5.284 1.00 5.05 N ATOM 2 CA MET A 1 -6.407 10.538 5.280 1.00 4.48 C ATOM 3 C MET A 1 -5.056 11.168 4.957 1.00 3.42 C ATOM 4 O MET A 1 -4.141 11.149 5.779 1.00 3.61 O ATOM 5 CB MET A 1 -6.896 11.043 6.643 1.00 5.23 C ATOM 6 CG MET A 1 -8.158 10.353 7.138 1.00 6.31 C ATOM 7 SD MET A 1 -7.839 8.701 7.789 1.00 7.31 S ATOM 8 CE MET A 1 -9.493 8.194 8.255 1.00 8.52 C ATOM 0 H1 MET A 1 -7.076 8.655 4.709 1.00 5.05 H new ATOM 0 H2 MET A 1 -5.391 8.768 4.886 1.00 5.05 H new ATOM 0 H3 MET A 1 -6.387 8.705 6.260 1.00 5.05 H new ATOM 0 HA MET A 1 -7.124 10.827 4.511 1.00 4.48 H new ATOM 0 HB2 MET A 1 -6.104 10.901 7.378 1.00 5.23 H new ATOM 0 HB3 MET A 1 -7.081 12.115 6.577 1.00 5.23 H new ATOM 0 HG2 MET A 1 -8.619 10.962 7.915 1.00 6.31 H new ATOM 0 HG3 MET A 1 -8.874 10.284 6.319 1.00 6.31 H new ATOM 0 HE1 MET A 1 -9.440 7.522 9.112 1.00 8.52 H new ATOM 0 HE2 MET A 1 -10.082 9.072 8.519 1.00 8.52 H new ATOM 0 HE3 MET A 1 -9.965 7.678 7.418 1.00 8.52 H new ATOM 20 N TYR A 2 -4.940 11.724 3.752 1.00 2.70 N ATOM 21 CA TYR A 2 -3.698 12.357 3.316 1.00 1.85 C ATOM 22 C TYR A 2 -2.534 11.369 3.375 1.00 1.82 C ATOM 23 O TYR A 2 -2.736 10.171 3.582 1.00 2.35 O ATOM 24 CB TYR A 2 -3.387 13.581 4.184 1.00 1.95 C ATOM 25 CG TYR A 2 -4.512 14.590 4.240 1.00 2.40 C ATOM 26 CD1 TYR A 2 -4.702 15.506 3.213 1.00 3.13 C ATOM 27 CD2 TYR A 2 -5.388 14.623 5.318 1.00 2.53 C ATOM 28 CE1 TYR A 2 -5.730 16.428 3.259 1.00 3.77 C ATOM 29 CE2 TYR A 2 -6.420 15.542 5.370 1.00 3.20 C ATOM 30 CZ TYR A 2 -6.578 16.450 4.346 1.00 3.74 C ATOM 31 OH TYR A 2 -7.611 17.357 4.387 1.00 4.51 O ATOM 0 H TYR A 2 -5.690 11.749 3.062 1.00 2.70 H new ATOM 0 HA TYR A 2 -3.829 12.679 2.283 1.00 1.85 H new ATOM 0 HB2 TYR A 2 -3.159 13.248 5.197 1.00 1.95 H new ATOM 0 HB3 TYR A 2 -2.492 14.070 3.800 1.00 1.95 H new ATOM 0 HD1 TYR A 2 -4.035 15.497 2.364 1.00 3.13 H new ATOM 0 HD2 TYR A 2 -5.261 13.920 6.128 1.00 2.53 H new ATOM 0 HE1 TYR A 2 -5.869 17.128 2.448 1.00 3.77 H new ATOM 0 HE2 TYR A 2 -7.099 15.548 6.210 1.00 3.20 H new ATOM 0 HH TYR A 2 -8.115 17.241 5.219 1.00 4.51 H new ATOM 41 N ASP A 3 -1.320 11.876 3.186 1.00 1.62 N ATOM 42 CA ASP A 3 -0.126 11.037 3.226 1.00 1.65 C ATOM 43 C ASP A 3 0.232 10.683 4.666 1.00 1.75 C ATOM 44 O ASP A 3 -0.341 11.229 5.607 1.00 2.10 O ATOM 45 CB ASP A 3 1.046 11.749 2.549 1.00 2.02 C ATOM 46 CG ASP A 3 1.281 13.135 3.111 1.00 2.83 C ATOM 47 OD1 ASP A 3 2.022 13.254 4.107 1.00 3.58 O ATOM 48 OD2 ASP A 3 0.719 14.104 2.556 1.00 2.96 O ATOM 0 H ASP A 3 -1.136 12.863 3.004 1.00 1.62 H new ATOM 0 HA ASP A 3 -0.335 10.114 2.685 1.00 1.65 H new ATOM 0 HB2 ASP A 3 1.950 11.152 2.671 1.00 2.02 H new ATOM 0 HB3 ASP A 3 0.854 11.822 1.478 1.00 2.02 H new ATOM 53 N TRP A 4 1.185 9.770 4.833 1.00 1.79 N ATOM 54 CA TRP A 4 1.603 9.343 6.164 1.00 2.23 C ATOM 55 C TRP A 4 2.983 8.694 6.134 1.00 2.33 C ATOM 56 O TRP A 4 3.596 8.470 7.178 1.00 2.91 O ATOM 57 CB TRP A 4 0.581 8.363 6.749 1.00 2.72 C ATOM 58 CG TRP A 4 0.351 7.153 5.891 1.00 2.37 C ATOM 59 CD1 TRP A 4 1.236 6.141 5.642 1.00 2.53 C ATOM 60 CD2 TRP A 4 -0.844 6.824 5.173 1.00 2.23 C ATOM 61 NE1 TRP A 4 0.667 5.209 4.809 1.00 2.21 N ATOM 62 CE2 TRP A 4 -0.610 5.604 4.509 1.00 2.15 C ATOM 63 CE3 TRP A 4 -2.090 7.442 5.026 1.00 2.65 C ATOM 64 CZ2 TRP A 4 -1.576 4.992 3.714 1.00 2.51 C ATOM 65 CZ3 TRP A 4 -3.048 6.833 4.236 1.00 3.19 C ATOM 66 CH2 TRP A 4 -2.785 5.619 3.589 1.00 3.13 C ATOM 0 H TRP A 4 1.680 9.314 4.067 1.00 1.79 H new ATOM 0 HA TRP A 4 1.659 10.230 6.795 1.00 2.23 H new ATOM 0 HB2 TRP A 4 0.921 8.041 7.733 1.00 2.72 H new ATOM 0 HB3 TRP A 4 -0.367 8.882 6.893 1.00 2.72 H new ATOM 0 HD1 TRP A 4 2.237 6.083 6.042 1.00 2.53 H new ATOM 0 HE1 TRP A 4 1.121 4.361 4.469 1.00 2.21 H new ATOM 0 HE3 TRP A 4 -2.300 8.379 5.521 1.00 2.65 H new ATOM 0 HZ2 TRP A 4 -1.377 4.056 3.214 1.00 2.51 H new ATOM 0 HZ3 TRP A 4 -4.014 7.301 4.116 1.00 3.19 H new ATOM 0 HH2 TRP A 4 -3.553 5.168 2.978 1.00 3.13 H new ATOM 77 N ASN A 5 3.465 8.389 4.932 1.00 1.89 N ATOM 78 CA ASN A 5 4.769 7.754 4.770 1.00 1.98 C ATOM 79 C ASN A 5 5.896 8.782 4.830 1.00 2.12 C ATOM 80 O ASN A 5 6.878 8.687 4.094 1.00 2.58 O ATOM 81 CB ASN A 5 4.817 6.986 3.447 1.00 1.85 C ATOM 82 CG ASN A 5 6.030 6.083 3.342 1.00 2.43 C ATOM 83 OD1 ASN A 5 7.057 6.467 2.787 1.00 3.20 O ATOM 84 ND2 ASN A 5 5.913 4.871 3.872 1.00 2.75 N ATOM 0 H ASN A 5 2.973 8.571 4.057 1.00 1.89 H new ATOM 0 HA ASN A 5 4.912 7.054 5.594 1.00 1.98 H new ATOM 0 HB2 ASN A 5 3.912 6.386 3.346 1.00 1.85 H new ATOM 0 HB3 ASN A 5 4.824 7.695 2.619 1.00 1.85 H new ATOM 0 HD21 ASN A 5 6.695 4.217 3.828 1.00 2.75 H new ATOM 0 HD22 ASN A 5 5.041 4.594 4.324 1.00 2.75 H new ATOM 91 N ILE A 6 5.754 9.761 5.715 1.00 1.91 N ATOM 92 CA ILE A 6 6.766 10.796 5.875 1.00 2.11 C ATOM 93 C ILE A 6 7.884 10.318 6.795 1.00 2.18 C ATOM 94 O ILE A 6 8.990 10.858 6.786 1.00 2.38 O ATOM 95 CB ILE A 6 6.165 12.094 6.449 1.00 2.40 C ATOM 96 CG1 ILE A 6 4.908 12.492 5.672 1.00 2.27 C ATOM 97 CG2 ILE A 6 7.196 13.214 6.417 1.00 2.80 C ATOM 98 CD1 ILE A 6 4.244 13.747 6.199 1.00 3.11 C ATOM 0 H ILE A 6 4.948 9.859 6.332 1.00 1.91 H new ATOM 0 HA ILE A 6 7.168 11.004 4.884 1.00 2.11 H new ATOM 0 HB ILE A 6 5.882 11.917 7.487 1.00 2.40 H new ATOM 0 HG12 ILE A 6 5.170 12.642 4.625 1.00 2.27 H new ATOM 0 HG13 ILE A 6 4.193 11.670 5.707 1.00 2.27 H new ATOM 0 HG21 ILE A 6 6.757 14.124 6.825 1.00 2.80 H new ATOM 0 HG22 ILE A 6 8.062 12.929 7.015 1.00 2.80 H new ATOM 0 HG23 ILE A 6 7.508 13.392 5.388 1.00 2.80 H new ATOM 0 HD11 ILE A 6 3.360 13.969 5.601 1.00 3.11 H new ATOM 0 HD12 ILE A 6 3.951 13.595 7.238 1.00 3.11 H new ATOM 0 HD13 ILE A 6 4.943 14.581 6.138 1.00 3.11 H new ATOM 110 N ALA A 7 7.585 9.294 7.586 1.00 2.12 N ATOM 111 CA ALA A 7 8.555 8.739 8.521 1.00 2.32 C ATOM 112 C ALA A 7 9.496 7.764 7.825 1.00 2.11 C ATOM 113 O ALA A 7 10.368 7.170 8.458 1.00 2.41 O ATOM 114 CB ALA A 7 7.842 8.055 9.677 1.00 2.56 C ATOM 0 H ALA A 7 6.676 8.831 7.598 1.00 2.12 H new ATOM 0 HA ALA A 7 9.154 9.561 8.913 1.00 2.32 H new ATOM 0 HB1 ALA A 7 8.579 7.645 10.368 1.00 2.56 H new ATOM 0 HB2 ALA A 7 7.218 8.780 10.200 1.00 2.56 H new ATOM 0 HB3 ALA A 7 7.217 7.249 9.293 1.00 2.56 H new ATOM 120 N ALA A 8 9.312 7.603 6.519 1.00 1.79 N ATOM 121 CA ALA A 8 10.145 6.701 5.738 1.00 1.61 C ATOM 122 C ALA A 8 11.595 7.177 5.721 1.00 1.75 C ATOM 123 O ALA A 8 11.865 8.367 5.559 1.00 1.98 O ATOM 124 CB ALA A 8 9.607 6.572 4.321 1.00 1.44 C ATOM 0 H ALA A 8 8.593 8.086 5.981 1.00 1.79 H new ATOM 0 HA ALA A 8 10.117 5.718 6.209 1.00 1.61 H new ATOM 0 HB1 ALA A 8 10.242 5.894 3.751 1.00 1.44 H new ATOM 0 HB2 ALA A 8 8.591 6.178 4.352 1.00 1.44 H new ATOM 0 HB3 ALA A 8 9.602 7.552 3.843 1.00 1.44 H new ATOM 130 N LYS A 9 12.524 6.239 5.889 1.00 1.76 N ATOM 131 CA LYS A 9 13.944 6.563 5.901 1.00 1.95 C ATOM 132 C LYS A 9 14.679 5.810 4.796 1.00 1.64 C ATOM 133 O LYS A 9 15.419 6.404 4.014 1.00 1.76 O ATOM 134 CB LYS A 9 14.540 6.228 7.274 1.00 2.29 C ATOM 135 CG LYS A 9 16.040 6.458 7.372 1.00 2.78 C ATOM 136 CD LYS A 9 16.819 5.226 6.943 1.00 3.05 C ATOM 137 CE LYS A 9 16.763 4.132 7.999 1.00 3.46 C ATOM 138 NZ LYS A 9 17.331 4.584 9.298 1.00 4.19 N ATOM 0 H LYS A 9 12.317 5.249 6.019 1.00 1.76 H new ATOM 0 HA LYS A 9 14.064 7.630 5.715 1.00 1.95 H new ATOM 0 HB2 LYS A 9 14.040 6.831 8.032 1.00 2.29 H new ATOM 0 HB3 LYS A 9 14.327 5.184 7.506 1.00 2.29 H new ATOM 0 HG2 LYS A 9 16.321 7.305 6.746 1.00 2.78 H new ATOM 0 HG3 LYS A 9 16.304 6.718 8.397 1.00 2.78 H new ATOM 0 HD2 LYS A 9 16.414 4.847 6.004 1.00 3.05 H new ATOM 0 HD3 LYS A 9 17.858 5.499 6.755 1.00 3.05 H new ATOM 0 HE2 LYS A 9 15.729 3.820 8.144 1.00 3.46 H new ATOM 0 HE3 LYS A 9 17.313 3.259 7.647 1.00 3.46 H new ATOM 0 HZ1 LYS A 9 17.635 3.757 9.850 1.00 4.19 H new ATOM 0 HZ2 LYS A 9 18.148 5.203 9.123 1.00 4.19 H new ATOM 0 HZ3 LYS A 9 16.607 5.108 9.830 1.00 4.19 H new ATOM 152 N SER A 10 14.466 4.499 4.739 1.00 1.35 N ATOM 153 CA SER A 10 15.110 3.663 3.732 1.00 1.09 C ATOM 154 C SER A 10 14.363 3.732 2.407 1.00 1.11 C ATOM 155 O SER A 10 13.179 4.067 2.362 1.00 1.47 O ATOM 156 CB SER A 10 15.187 2.213 4.214 1.00 0.96 C ATOM 157 OG SER A 10 15.828 1.389 3.256 1.00 1.54 O ATOM 0 H SER A 10 13.853 3.993 5.378 1.00 1.35 H new ATOM 0 HA SER A 10 16.121 4.040 3.577 1.00 1.09 H new ATOM 0 HB2 SER A 10 15.731 2.169 5.158 1.00 0.96 H new ATOM 0 HB3 SER A 10 14.182 1.837 4.407 1.00 0.96 H new ATOM 0 HG SER A 10 15.866 0.468 3.589 1.00 1.54 H new ATOM 163 N GLN A 11 15.070 3.413 1.330 1.00 1.09 N ATOM 164 CA GLN A 11 14.491 3.436 -0.006 1.00 1.17 C ATOM 165 C GLN A 11 13.474 2.316 -0.168 1.00 0.87 C ATOM 166 O GLN A 11 12.471 2.466 -0.863 1.00 0.82 O ATOM 167 CB GLN A 11 15.592 3.287 -1.054 1.00 1.50 C ATOM 168 CG GLN A 11 16.778 4.202 -0.819 1.00 1.71 C ATOM 169 CD GLN A 11 16.464 5.663 -1.093 1.00 2.37 C ATOM 170 OE1 GLN A 11 15.331 6.112 -0.925 1.00 3.07 O ATOM 171 NE2 GLN A 11 17.472 6.414 -1.522 1.00 2.75 N ATOM 0 H GLN A 11 16.051 3.134 1.357 1.00 1.09 H new ATOM 0 HA GLN A 11 13.985 4.391 -0.146 1.00 1.17 H new ATOM 0 HB2 GLN A 11 15.937 2.253 -1.063 1.00 1.50 H new ATOM 0 HB3 GLN A 11 15.175 3.492 -2.040 1.00 1.50 H new ATOM 0 HG2 GLN A 11 17.113 4.095 0.213 1.00 1.71 H new ATOM 0 HG3 GLN A 11 17.604 3.888 -1.457 1.00 1.71 H new ATOM 0 HE21 GLN A 11 18.397 6.003 -1.648 1.00 2.75 H new ATOM 0 HE22 GLN A 11 17.321 7.402 -1.725 1.00 2.75 H new ATOM 180 N GLU A 12 13.747 1.193 0.479 1.00 0.84 N ATOM 181 CA GLU A 12 12.858 0.039 0.412 1.00 0.83 C ATOM 182 C GLU A 12 11.549 0.321 1.140 1.00 0.63 C ATOM 183 O GLU A 12 10.502 -0.213 0.780 1.00 0.77 O ATOM 184 CB GLU A 12 13.540 -1.191 1.012 1.00 1.10 C ATOM 185 CG GLU A 12 14.808 -1.600 0.280 1.00 1.70 C ATOM 186 CD GLU A 12 15.540 -2.735 0.969 1.00 2.48 C ATOM 187 OE1 GLU A 12 15.143 -3.903 0.773 1.00 3.39 O ATOM 188 OE2 GLU A 12 16.510 -2.456 1.705 1.00 2.69 O ATOM 0 H GLU A 12 14.576 1.054 1.057 1.00 0.84 H new ATOM 0 HA GLU A 12 12.633 -0.158 -0.636 1.00 0.83 H new ATOM 0 HB2 GLU A 12 13.782 -0.990 2.056 1.00 1.10 H new ATOM 0 HB3 GLU A 12 12.839 -2.026 1.002 1.00 1.10 H new ATOM 0 HG2 GLU A 12 14.555 -1.900 -0.737 1.00 1.70 H new ATOM 0 HG3 GLU A 12 15.472 -0.739 0.202 1.00 1.70 H new ATOM 195 N GLU A 13 11.613 1.165 2.164 1.00 0.53 N ATOM 196 CA GLU A 13 10.428 1.513 2.937 1.00 0.58 C ATOM 197 C GLU A 13 9.488 2.392 2.122 1.00 0.52 C ATOM 198 O GLU A 13 8.290 2.125 2.034 1.00 0.57 O ATOM 199 CB GLU A 13 10.824 2.237 4.226 1.00 0.82 C ATOM 200 CG GLU A 13 11.637 1.377 5.180 1.00 0.84 C ATOM 201 CD GLU A 13 11.957 2.091 6.479 1.00 1.53 C ATOM 202 OE1 GLU A 13 11.087 2.114 7.376 1.00 1.54 O ATOM 203 OE2 GLU A 13 13.078 2.629 6.601 1.00 2.54 O ATOM 0 H GLU A 13 12.471 1.619 2.477 1.00 0.53 H new ATOM 0 HA GLU A 13 9.910 0.589 3.192 1.00 0.58 H new ATOM 0 HB2 GLU A 13 11.400 3.127 3.971 1.00 0.82 H new ATOM 0 HB3 GLU A 13 9.922 2.576 4.735 1.00 0.82 H new ATOM 0 HG2 GLU A 13 11.086 0.462 5.399 1.00 0.84 H new ATOM 0 HG3 GLU A 13 12.567 1.081 4.694 1.00 0.84 H new ATOM 210 N ARG A 14 10.040 3.440 1.527 1.00 0.48 N ATOM 211 CA ARG A 14 9.249 4.364 0.723 1.00 0.50 C ATOM 212 C ARG A 14 8.724 3.697 -0.545 1.00 0.40 C ATOM 213 O ARG A 14 7.630 3.999 -1.004 1.00 0.52 O ATOM 214 CB ARG A 14 10.081 5.593 0.355 1.00 0.58 C ATOM 215 CG ARG A 14 11.338 5.262 -0.432 1.00 1.42 C ATOM 216 CD ARG A 14 12.165 6.504 -0.714 1.00 1.47 C ATOM 217 NE ARG A 14 11.479 7.426 -1.615 1.00 2.39 N ATOM 218 CZ ARG A 14 12.055 8.500 -2.145 1.00 2.61 C ATOM 219 NH1 ARG A 14 13.322 8.782 -1.870 1.00 1.96 N ATOM 220 NH2 ARG A 14 11.365 9.295 -2.954 1.00 3.70 N ATOM 0 H ARG A 14 11.031 3.672 1.585 1.00 0.48 H new ATOM 0 HA ARG A 14 8.393 4.672 1.323 1.00 0.50 H new ATOM 0 HB2 ARG A 14 9.465 6.277 -0.230 1.00 0.58 H new ATOM 0 HB3 ARG A 14 10.362 6.118 1.268 1.00 0.58 H new ATOM 0 HG2 ARG A 14 11.938 4.543 0.126 1.00 1.42 H new ATOM 0 HG3 ARG A 14 11.064 4.786 -1.373 1.00 1.42 H new ATOM 0 HD2 ARG A 14 12.387 7.012 0.224 1.00 1.47 H new ATOM 0 HD3 ARG A 14 13.119 6.212 -1.152 1.00 1.47 H new ATOM 0 HE ARG A 14 10.505 7.235 -1.850 1.00 2.39 H new ATOM 0 HH11 ARG A 14 13.857 8.174 -1.250 1.00 1.96 H new ATOM 0 HH12 ARG A 14 13.761 9.607 -2.278 1.00 1.96 H new ATOM 0 HH21 ARG A 14 10.391 9.082 -3.170 1.00 3.70 H new ATOM 0 HH22 ARG A 14 11.809 10.119 -3.360 1.00 3.70 H new ATOM 234 N ASP A 15 9.509 2.800 -1.122 1.00 0.30 N ATOM 235 CA ASP A 15 9.100 2.124 -2.347 1.00 0.37 C ATOM 236 C ASP A 15 8.109 0.983 -2.100 1.00 0.35 C ATOM 237 O ASP A 15 6.998 0.997 -2.632 1.00 0.47 O ATOM 238 CB ASP A 15 10.329 1.588 -3.084 1.00 0.47 C ATOM 239 CG ASP A 15 11.064 2.673 -3.848 1.00 0.64 C ATOM 240 OD1 ASP A 15 11.936 3.335 -3.250 1.00 0.71 O ATOM 241 OD2 ASP A 15 10.767 2.861 -5.047 1.00 0.93 O ATOM 0 H ASP A 15 10.425 2.524 -0.767 1.00 0.30 H new ATOM 0 HA ASP A 15 8.587 2.866 -2.958 1.00 0.37 H new ATOM 0 HB2 ASP A 15 11.009 1.129 -2.366 1.00 0.47 H new ATOM 0 HB3 ASP A 15 10.021 0.805 -3.777 1.00 0.47 H new ATOM 246 N LYS A 16 8.508 0.003 -1.297 1.00 0.30 N ATOM 247 CA LYS A 16 7.658 -1.157 -1.018 1.00 0.32 C ATOM 248 C LYS A 16 6.319 -0.781 -0.384 1.00 0.29 C ATOM 249 O LYS A 16 5.306 -1.427 -0.647 1.00 0.43 O ATOM 250 CB LYS A 16 8.388 -2.147 -0.110 1.00 0.35 C ATOM 251 CG LYS A 16 9.657 -2.719 -0.722 1.00 0.42 C ATOM 252 CD LYS A 16 9.945 -4.118 -0.204 1.00 0.45 C ATOM 253 CE LYS A 16 9.049 -5.153 -0.864 1.00 0.62 C ATOM 254 NZ LYS A 16 7.712 -5.231 -0.213 1.00 1.38 N ATOM 0 H LYS A 16 9.413 -0.015 -0.827 1.00 0.30 H new ATOM 0 HA LYS A 16 7.444 -1.617 -1.983 1.00 0.32 H new ATOM 0 HB2 LYS A 16 8.640 -1.649 0.827 1.00 0.35 H new ATOM 0 HB3 LYS A 16 7.713 -2.967 0.136 1.00 0.35 H new ATOM 0 HG2 LYS A 16 9.559 -2.745 -1.807 1.00 0.42 H new ATOM 0 HG3 LYS A 16 10.499 -2.065 -0.494 1.00 0.42 H new ATOM 0 HD2 LYS A 16 10.989 -4.368 -0.390 1.00 0.45 H new ATOM 0 HD3 LYS A 16 9.799 -4.144 0.876 1.00 0.45 H new ATOM 0 HE2 LYS A 16 8.925 -4.905 -1.918 1.00 0.62 H new ATOM 0 HE3 LYS A 16 9.531 -6.130 -0.821 1.00 0.62 H new ATOM 0 HZ1 LYS A 16 7.436 -6.228 -0.105 1.00 1.38 H new ATOM 0 HZ2 LYS A 16 7.755 -4.780 0.723 1.00 1.38 H new ATOM 0 HZ3 LYS A 16 7.010 -4.739 -0.802 1.00 1.38 H new ATOM 268 N VAL A 17 6.303 0.256 0.446 1.00 0.24 N ATOM 269 CA VAL A 17 5.069 0.655 1.121 1.00 0.23 C ATOM 270 C VAL A 17 4.188 1.558 0.258 1.00 0.27 C ATOM 271 O VAL A 17 3.007 1.274 0.078 1.00 0.36 O ATOM 272 CB VAL A 17 5.356 1.359 2.460 1.00 0.22 C ATOM 273 CG1 VAL A 17 4.055 1.694 3.168 1.00 1.27 C ATOM 274 CG2 VAL A 17 6.239 0.489 3.343 1.00 1.23 C ATOM 0 H VAL A 17 7.117 0.830 0.667 1.00 0.24 H new ATOM 0 HA VAL A 17 4.526 -0.272 1.308 1.00 0.23 H new ATOM 0 HB VAL A 17 5.888 2.288 2.257 1.00 0.22 H new ATOM 0 HG11 VAL A 17 4.273 2.191 4.113 1.00 1.27 H new ATOM 0 HG12 VAL A 17 3.458 2.355 2.539 1.00 1.27 H new ATOM 0 HG13 VAL A 17 3.499 0.777 3.360 1.00 1.27 H new ATOM 0 HG21 VAL A 17 6.431 1.003 4.285 1.00 1.23 H new ATOM 0 HG22 VAL A 17 5.735 -0.457 3.542 1.00 1.23 H new ATOM 0 HG23 VAL A 17 7.184 0.297 2.835 1.00 1.23 H new ATOM 284 N ASN A 18 4.753 2.640 -0.270 1.00 0.27 N ATOM 285 CA ASN A 18 3.983 3.570 -1.098 1.00 0.32 C ATOM 286 C ASN A 18 3.337 2.854 -2.276 1.00 0.27 C ATOM 287 O ASN A 18 2.395 3.362 -2.879 1.00 0.25 O ATOM 288 CB ASN A 18 4.859 4.707 -1.624 1.00 0.39 C ATOM 289 CG ASN A 18 5.460 5.561 -0.521 1.00 0.44 C ATOM 290 OD1 ASN A 18 5.900 4.925 0.557 1.00 0.77 O flip ATOM 291 ND2 ASN A 18 5.543 6.783 -0.648 1.00 0.22 N flip ATOM 0 H ASN A 18 5.732 2.895 -0.142 1.00 0.27 H new ATOM 0 HA ASN A 18 3.204 3.988 -0.460 1.00 0.32 H new ATOM 0 HB2 ASN A 18 5.663 4.287 -2.228 1.00 0.39 H new ATOM 0 HB3 ASN A 18 4.264 5.341 -2.281 1.00 0.39 H new ATOM 0 HD21 ASN A 18 5.192 7.233 -1.494 1.00 0.22 H new ATOM 0 HD22 ASN A 18 5.963 7.345 0.092 1.00 0.22 H new ATOM 298 N VAL A 19 3.853 1.676 -2.601 1.00 0.33 N ATOM 299 CA VAL A 19 3.331 0.898 -3.712 1.00 0.32 C ATOM 300 C VAL A 19 2.234 -0.041 -3.214 1.00 0.33 C ATOM 301 O VAL A 19 1.232 -0.274 -3.896 1.00 0.32 O ATOM 302 CB VAL A 19 4.457 0.098 -4.414 1.00 0.34 C ATOM 303 CG1 VAL A 19 4.511 -1.346 -3.932 1.00 0.40 C ATOM 304 CG2 VAL A 19 4.295 0.160 -5.923 1.00 0.32 C ATOM 0 H VAL A 19 4.633 1.240 -2.109 1.00 0.33 H new ATOM 0 HA VAL A 19 2.908 1.584 -4.446 1.00 0.32 H new ATOM 0 HB VAL A 19 5.406 0.563 -4.148 1.00 0.34 H new ATOM 0 HG11 VAL A 19 5.314 -1.872 -4.449 1.00 0.40 H new ATOM 0 HG12 VAL A 19 4.697 -1.364 -2.858 1.00 0.40 H new ATOM 0 HG13 VAL A 19 3.561 -1.836 -4.144 1.00 0.40 H new ATOM 0 HG21 VAL A 19 5.095 -0.408 -6.398 1.00 0.32 H new ATOM 0 HG22 VAL A 19 3.332 -0.266 -6.203 1.00 0.32 H new ATOM 0 HG23 VAL A 19 4.342 1.198 -6.252 1.00 0.32 H new ATOM 314 N ASP A 20 2.433 -0.560 -2.004 1.00 0.37 N ATOM 315 CA ASP A 20 1.480 -1.467 -1.384 1.00 0.40 C ATOM 316 C ASP A 20 0.223 -0.717 -0.983 1.00 0.40 C ATOM 317 O ASP A 20 -0.883 -1.247 -1.080 1.00 0.41 O ATOM 318 CB ASP A 20 2.104 -2.131 -0.156 1.00 0.46 C ATOM 319 CG ASP A 20 1.247 -3.253 0.396 1.00 0.62 C ATOM 320 OD1 ASP A 20 0.265 -2.953 1.108 1.00 0.82 O ATOM 321 OD2 ASP A 20 1.556 -4.429 0.115 1.00 0.84 O ATOM 0 H ASP A 20 3.254 -0.363 -1.432 1.00 0.37 H new ATOM 0 HA ASP A 20 1.215 -2.238 -2.107 1.00 0.40 H new ATOM 0 HB2 ASP A 20 3.086 -2.524 -0.419 1.00 0.46 H new ATOM 0 HB3 ASP A 20 2.258 -1.381 0.620 1.00 0.46 H new ATOM 326 N LEU A 21 0.396 0.522 -0.535 1.00 0.40 N ATOM 327 CA LEU A 21 -0.732 1.337 -0.129 1.00 0.43 C ATOM 328 C LEU A 21 -1.375 1.971 -1.347 1.00 0.30 C ATOM 329 O LEU A 21 -2.584 2.198 -1.370 1.00 0.31 O ATOM 330 CB LEU A 21 -0.302 2.414 0.870 1.00 0.57 C ATOM 331 CG LEU A 21 0.740 3.407 0.358 1.00 0.67 C ATOM 332 CD1 LEU A 21 0.076 4.572 -0.354 1.00 0.73 C ATOM 333 CD2 LEU A 21 1.604 3.906 1.505 1.00 1.07 C ATOM 0 H LEU A 21 1.304 0.978 -0.446 1.00 0.40 H new ATOM 0 HA LEU A 21 -1.461 0.695 0.365 1.00 0.43 H new ATOM 0 HB2 LEU A 21 -1.186 2.970 1.181 1.00 0.57 H new ATOM 0 HB3 LEU A 21 0.095 1.923 1.759 1.00 0.57 H new ATOM 0 HG LEU A 21 1.378 2.891 -0.360 1.00 0.67 H new ATOM 0 HD11 LEU A 21 0.839 5.264 -0.709 1.00 0.73 H new ATOM 0 HD12 LEU A 21 -0.499 4.200 -1.202 1.00 0.73 H new ATOM 0 HD13 LEU A 21 -0.590 5.089 0.337 1.00 0.73 H new ATOM 0 HD21 LEU A 21 2.342 4.613 1.124 1.00 1.07 H new ATOM 0 HD22 LEU A 21 0.976 4.401 2.245 1.00 1.07 H new ATOM 0 HD23 LEU A 21 2.115 3.063 1.969 1.00 1.07 H new ATOM 345 N ALA A 22 -0.554 2.266 -2.356 1.00 0.24 N ATOM 346 CA ALA A 22 -1.060 2.850 -3.586 1.00 0.23 C ATOM 347 C ALA A 22 -2.278 2.073 -4.059 1.00 0.26 C ATOM 348 O ALA A 22 -3.358 2.638 -4.258 1.00 0.39 O ATOM 349 CB ALA A 22 0.019 2.855 -4.659 1.00 0.26 C ATOM 0 H ALA A 22 0.454 2.110 -2.341 1.00 0.24 H new ATOM 0 HA ALA A 22 -1.351 3.883 -3.394 1.00 0.23 H new ATOM 0 HB1 ALA A 22 -0.379 3.296 -5.573 1.00 0.26 H new ATOM 0 HB2 ALA A 22 0.872 3.440 -4.315 1.00 0.26 H new ATOM 0 HB3 ALA A 22 0.338 1.832 -4.859 1.00 0.26 H new ATOM 355 N ALA A 23 -2.108 0.765 -4.205 1.00 0.26 N ATOM 356 CA ALA A 23 -3.197 -0.093 -4.639 1.00 0.38 C ATOM 357 C ALA A 23 -4.290 -0.111 -3.590 1.00 0.36 C ATOM 358 O ALA A 23 -5.475 0.020 -3.906 1.00 0.58 O ATOM 359 CB ALA A 23 -2.690 -1.507 -4.881 1.00 0.49 C ATOM 0 H ALA A 23 -1.229 0.279 -4.029 1.00 0.26 H new ATOM 0 HA ALA A 23 -3.602 0.300 -5.572 1.00 0.38 H new ATOM 0 HB1 ALA A 23 -3.516 -2.139 -5.206 1.00 0.49 H new ATOM 0 HB2 ALA A 23 -1.921 -1.491 -5.653 1.00 0.49 H new ATOM 0 HB3 ALA A 23 -2.269 -1.906 -3.958 1.00 0.49 H new ATOM 365 N SER A 24 -3.873 -0.256 -2.335 1.00 0.30 N ATOM 366 CA SER A 24 -4.805 -0.312 -1.213 1.00 0.33 C ATOM 367 C SER A 24 -5.866 0.779 -1.306 1.00 0.27 C ATOM 368 O SER A 24 -7.050 0.490 -1.449 1.00 0.33 O ATOM 369 CB SER A 24 -4.059 -0.192 0.113 1.00 0.43 C ATOM 370 OG SER A 24 -3.098 -1.223 0.255 1.00 1.36 O ATOM 0 H SER A 24 -2.892 -0.337 -2.069 1.00 0.30 H new ATOM 0 HA SER A 24 -5.306 -1.279 -1.259 1.00 0.33 H new ATOM 0 HB2 SER A 24 -3.566 0.779 0.169 1.00 0.43 H new ATOM 0 HB3 SER A 24 -4.769 -0.237 0.938 1.00 0.43 H new ATOM 0 HG SER A 24 -2.368 -1.080 -0.383 1.00 1.36 H new ATOM 376 N GLY A 25 -5.436 2.034 -1.244 1.00 0.27 N ATOM 377 CA GLY A 25 -6.373 3.139 -1.311 1.00 0.34 C ATOM 378 C GLY A 25 -7.347 3.038 -2.472 1.00 0.33 C ATOM 379 O GLY A 25 -8.544 3.267 -2.299 1.00 0.43 O ATOM 0 H GLY A 25 -4.457 2.305 -1.149 1.00 0.27 H new ATOM 0 HA2 GLY A 25 -6.935 3.185 -0.378 1.00 0.34 H new ATOM 0 HA3 GLY A 25 -5.816 4.072 -1.394 1.00 0.34 H new ATOM 383 N VAL A 26 -6.840 2.680 -3.649 1.00 0.29 N ATOM 384 CA VAL A 26 -7.671 2.582 -4.852 1.00 0.37 C ATOM 385 C VAL A 26 -8.990 1.824 -4.632 1.00 0.44 C ATOM 386 O VAL A 26 -10.068 2.399 -4.775 1.00 0.53 O ATOM 387 CB VAL A 26 -6.894 1.905 -6.000 1.00 0.44 C ATOM 388 CG1 VAL A 26 -7.760 1.793 -7.247 1.00 1.26 C ATOM 389 CG2 VAL A 26 -5.615 2.671 -6.304 1.00 1.09 C ATOM 0 H VAL A 26 -5.857 2.452 -3.798 1.00 0.29 H new ATOM 0 HA VAL A 26 -7.924 3.610 -5.113 1.00 0.37 H new ATOM 0 HB VAL A 26 -6.625 0.898 -5.681 1.00 0.44 H new ATOM 0 HG11 VAL A 26 -7.191 1.313 -8.043 1.00 1.26 H new ATOM 0 HG12 VAL A 26 -8.645 1.197 -7.023 1.00 1.26 H new ATOM 0 HG13 VAL A 26 -8.065 2.789 -7.569 1.00 1.26 H new ATOM 0 HG21 VAL A 26 -5.080 2.179 -7.116 1.00 1.09 H new ATOM 0 HG22 VAL A 26 -5.863 3.691 -6.598 1.00 1.09 H new ATOM 0 HG23 VAL A 26 -4.984 2.693 -5.415 1.00 1.09 H new ATOM 399 N ALA A 27 -8.907 0.539 -4.287 1.00 0.44 N ATOM 400 CA ALA A 27 -10.113 -0.281 -4.087 1.00 0.54 C ATOM 401 C ALA A 27 -10.640 -0.260 -2.651 1.00 0.51 C ATOM 402 O ALA A 27 -11.838 -0.083 -2.429 1.00 0.59 O ATOM 403 CB ALA A 27 -9.863 -1.720 -4.517 1.00 0.61 C ATOM 0 H ALA A 27 -8.028 0.042 -4.140 1.00 0.44 H new ATOM 0 HA ALA A 27 -10.883 0.170 -4.714 1.00 0.54 H new ATOM 0 HB1 ALA A 27 -10.767 -2.309 -4.361 1.00 0.61 H new ATOM 0 HB2 ALA A 27 -9.593 -1.743 -5.573 1.00 0.61 H new ATOM 0 HB3 ALA A 27 -9.050 -2.140 -3.926 1.00 0.61 H new ATOM 409 N TYR A 28 -9.743 -0.450 -1.685 1.00 0.42 N ATOM 410 CA TYR A 28 -10.119 -0.494 -0.268 1.00 0.43 C ATOM 411 C TYR A 28 -11.083 0.622 0.110 1.00 0.49 C ATOM 412 O TYR A 28 -11.831 0.488 1.073 1.00 0.72 O ATOM 413 CB TYR A 28 -8.878 -0.390 0.615 1.00 0.37 C ATOM 414 CG TYR A 28 -8.831 -1.385 1.757 1.00 0.44 C ATOM 415 CD1 TYR A 28 -8.973 -2.747 1.519 1.00 0.49 C ATOM 416 CD2 TYR A 28 -8.655 -0.968 3.070 1.00 0.54 C ATOM 417 CE1 TYR A 28 -8.937 -3.662 2.554 1.00 0.59 C ATOM 418 CE2 TYR A 28 -8.619 -1.876 4.112 1.00 0.64 C ATOM 419 CZ TYR A 28 -8.725 -3.206 3.859 1.00 0.63 C ATOM 420 OH TYR A 28 -8.727 -4.128 4.882 1.00 0.77 O ATOM 0 H TYR A 28 -8.746 -0.577 -1.856 1.00 0.42 H new ATOM 0 HA TYR A 28 -10.620 -1.449 -0.108 1.00 0.43 H new ATOM 0 HB2 TYR A 28 -7.993 -0.528 -0.007 1.00 0.37 H new ATOM 0 HB3 TYR A 28 -8.824 0.618 1.026 1.00 0.37 H new ATOM 0 HD1 TYR A 28 -9.114 -3.097 0.507 1.00 0.49 H new ATOM 0 HD2 TYR A 28 -8.544 0.085 3.281 1.00 0.54 H new ATOM 0 HE1 TYR A 28 -9.071 -4.716 2.358 1.00 0.59 H new ATOM 0 HE2 TYR A 28 -8.506 -1.527 5.128 1.00 0.64 H new ATOM 0 HH TYR A 28 -8.567 -3.671 5.734 1.00 0.77 H new ATOM 430 N LYS A 29 -11.055 1.726 -0.625 1.00 0.37 N ATOM 431 CA LYS A 29 -11.934 2.845 -0.316 1.00 0.40 C ATOM 432 C LYS A 29 -13.304 2.717 -0.972 1.00 0.48 C ATOM 433 O LYS A 29 -14.326 2.873 -0.301 1.00 0.55 O ATOM 434 CB LYS A 29 -11.270 4.170 -0.703 1.00 0.40 C ATOM 435 CG LYS A 29 -11.220 4.427 -2.200 1.00 0.50 C ATOM 436 CD LYS A 29 -10.443 5.693 -2.520 1.00 1.23 C ATOM 437 CE LYS A 29 -10.681 6.148 -3.951 1.00 1.67 C ATOM 438 NZ LYS A 29 -10.347 5.086 -4.936 1.00 2.30 N ATOM 0 H LYS A 29 -10.443 1.870 -1.428 1.00 0.37 H new ATOM 0 HA LYS A 29 -12.101 2.830 0.761 1.00 0.40 H new ATOM 0 HB2 LYS A 29 -11.808 4.987 -0.223 1.00 0.40 H new ATOM 0 HB3 LYS A 29 -10.254 4.183 -0.309 1.00 0.40 H new ATOM 0 HG2 LYS A 29 -10.756 3.577 -2.701 1.00 0.50 H new ATOM 0 HG3 LYS A 29 -12.234 4.512 -2.590 1.00 0.50 H new ATOM 0 HD2 LYS A 29 -10.737 6.485 -1.832 1.00 1.23 H new ATOM 0 HD3 LYS A 29 -9.379 5.516 -2.366 1.00 1.23 H new ATOM 0 HE2 LYS A 29 -11.725 6.438 -4.070 1.00 1.67 H new ATOM 0 HE3 LYS A 29 -10.079 7.034 -4.155 1.00 1.67 H new ATOM 0 HZ1 LYS A 29 -10.634 5.392 -5.888 1.00 2.30 H new ATOM 0 HZ2 LYS A 29 -9.322 4.910 -4.923 1.00 2.30 H new ATOM 0 HZ3 LYS A 29 -10.851 4.211 -4.687 1.00 2.30 H new ATOM 452 N GLU A 30 -13.327 2.468 -2.279 1.00 0.51 N ATOM 453 CA GLU A 30 -14.588 2.327 -3.001 1.00 0.60 C ATOM 454 C GLU A 30 -15.568 1.505 -2.177 1.00 0.72 C ATOM 455 O GLU A 30 -16.779 1.726 -2.213 1.00 0.99 O ATOM 456 CB GLU A 30 -14.360 1.693 -4.376 1.00 0.77 C ATOM 457 CG GLU A 30 -15.288 2.227 -5.454 1.00 1.20 C ATOM 458 CD GLU A 30 -16.751 1.955 -5.158 1.00 1.95 C ATOM 459 OE1 GLU A 30 -17.216 0.831 -5.448 1.00 2.65 O ATOM 460 OE2 GLU A 30 -17.430 2.864 -4.638 1.00 2.35 O ATOM 0 H GLU A 30 -12.493 2.360 -2.856 1.00 0.51 H new ATOM 0 HA GLU A 30 -15.014 3.318 -3.161 1.00 0.60 H new ATOM 0 HB2 GLU A 30 -13.327 1.865 -4.679 1.00 0.77 H new ATOM 0 HB3 GLU A 30 -14.493 0.614 -4.296 1.00 0.77 H new ATOM 0 HG2 GLU A 30 -15.137 3.301 -5.558 1.00 1.20 H new ATOM 0 HG3 GLU A 30 -15.025 1.774 -6.410 1.00 1.20 H new ATOM 467 N ARG A 31 -15.019 0.560 -1.434 1.00 0.67 N ATOM 468 CA ARG A 31 -15.782 -0.271 -0.536 1.00 0.85 C ATOM 469 C ARG A 31 -15.189 -0.060 0.844 1.00 0.86 C ATOM 470 O ARG A 31 -14.194 0.642 0.971 1.00 1.62 O ATOM 471 CB ARG A 31 -15.703 -1.750 -0.932 1.00 0.91 C ATOM 472 CG ARG A 31 -16.252 -2.059 -2.317 1.00 1.48 C ATOM 473 CD ARG A 31 -15.240 -1.739 -3.403 1.00 1.55 C ATOM 474 NE ARG A 31 -15.737 -2.078 -4.734 1.00 1.36 N ATOM 475 CZ ARG A 31 -15.006 -1.979 -5.841 1.00 1.60 C ATOM 476 NH1 ARG A 31 -13.753 -1.547 -5.776 1.00 2.36 N ATOM 477 NH2 ARG A 31 -15.527 -2.308 -7.015 1.00 1.64 N ATOM 0 H ARG A 31 -14.021 0.351 -1.441 1.00 0.67 H new ATOM 0 HA ARG A 31 -16.837 -0.000 -0.567 1.00 0.85 H new ATOM 0 HB2 ARG A 31 -14.662 -2.071 -0.887 1.00 0.91 H new ATOM 0 HB3 ARG A 31 -16.251 -2.340 -0.197 1.00 0.91 H new ATOM 0 HG2 ARG A 31 -16.527 -3.112 -2.374 1.00 1.48 H new ATOM 0 HG3 ARG A 31 -17.162 -1.483 -2.485 1.00 1.48 H new ATOM 0 HD2 ARG A 31 -14.994 -0.678 -3.368 1.00 1.55 H new ATOM 0 HD3 ARG A 31 -14.317 -2.286 -3.211 1.00 1.55 H new ATOM 0 HE ARG A 31 -16.698 -2.409 -4.819 1.00 1.36 H new ATOM 0 HH11 ARG A 31 -13.348 -1.290 -4.876 1.00 2.36 H new ATOM 0 HH12 ARG A 31 -13.195 -1.472 -6.626 1.00 2.36 H new ATOM 0 HH21 ARG A 31 -16.491 -2.638 -7.071 1.00 1.64 H new ATOM 0 HH22 ARG A 31 -14.964 -2.231 -7.862 1.00 1.64 H new ATOM 491 N LEU A 32 -15.816 -0.604 1.869 1.00 0.89 N ATOM 492 CA LEU A 32 -15.316 -0.481 3.225 1.00 0.81 C ATOM 493 C LEU A 32 -15.555 0.933 3.722 1.00 0.96 C ATOM 494 O LEU A 32 -16.599 1.531 3.463 1.00 1.34 O ATOM 495 CB LEU A 32 -13.818 -0.793 3.295 1.00 0.66 C ATOM 496 CG LEU A 32 -13.374 -2.233 3.034 1.00 0.62 C ATOM 497 CD1 LEU A 32 -14.099 -2.878 1.861 1.00 0.57 C ATOM 498 CD2 LEU A 32 -11.887 -2.227 2.778 1.00 0.84 C ATOM 0 H LEU A 32 -16.680 -1.140 1.787 1.00 0.89 H new ATOM 0 HA LEU A 32 -15.847 -1.198 3.851 1.00 0.81 H new ATOM 0 HB2 LEU A 32 -13.309 -0.151 2.577 1.00 0.66 H new ATOM 0 HB3 LEU A 32 -13.463 -0.508 4.285 1.00 0.66 H new ATOM 0 HG LEU A 32 -13.624 -2.829 3.912 1.00 0.62 H new ATOM 0 HD11 LEU A 32 -13.739 -3.898 1.728 1.00 0.57 H new ATOM 0 HD12 LEU A 32 -15.171 -2.894 2.060 1.00 0.57 H new ATOM 0 HD13 LEU A 32 -13.907 -2.304 0.954 1.00 0.57 H new ATOM 0 HD21 LEU A 32 -11.546 -3.245 2.589 1.00 0.84 H new ATOM 0 HD22 LEU A 32 -11.670 -1.604 1.910 1.00 0.84 H new ATOM 0 HD23 LEU A 32 -11.369 -1.827 3.650 1.00 0.84 H new ATOM 510 N ASN A 33 -14.577 1.455 4.439 1.00 1.19 N ATOM 511 CA ASN A 33 -14.649 2.807 4.961 1.00 1.38 C ATOM 512 C ASN A 33 -13.285 3.481 4.897 1.00 1.19 C ATOM 513 O ASN A 33 -12.609 3.625 5.915 1.00 1.59 O ATOM 514 CB ASN A 33 -15.158 2.793 6.402 1.00 1.78 C ATOM 515 CG ASN A 33 -16.603 2.349 6.497 1.00 2.08 C ATOM 516 OD1 ASN A 33 -16.816 1.040 6.539 1.00 2.08 O flip ATOM 517 ND2 ASN A 33 -17.517 3.173 6.524 1.00 3.05 N flip ATOM 0 H ASN A 33 -13.717 0.959 4.674 1.00 1.19 H new ATOM 0 HA ASN A 33 -15.346 3.374 4.345 1.00 1.38 H new ATOM 0 HB2 ASN A 33 -14.535 2.126 6.998 1.00 1.78 H new ATOM 0 HB3 ASN A 33 -15.058 3.790 6.830 1.00 1.78 H new ATOM 0 HD21 ASN A 33 -17.306 4.170 6.490 1.00 3.05 H new ATOM 0 HD22 ASN A 33 -18.486 2.859 6.581 1.00 3.05 H new ATOM 524 N ILE A 34 -12.872 3.886 3.694 1.00 0.75 N ATOM 525 CA ILE A 34 -11.582 4.553 3.545 1.00 0.62 C ATOM 526 C ILE A 34 -11.718 5.831 2.727 1.00 0.54 C ATOM 527 O ILE A 34 -12.127 5.796 1.571 1.00 0.68 O ATOM 528 CB ILE A 34 -10.509 3.637 2.914 1.00 0.56 C ATOM 529 CG1 ILE A 34 -10.154 2.497 3.867 1.00 0.64 C ATOM 530 CG2 ILE A 34 -9.265 4.433 2.552 1.00 0.64 C ATOM 531 CD1 ILE A 34 -11.159 1.370 3.850 1.00 0.65 C ATOM 0 H ILE A 34 -13.399 3.767 2.829 1.00 0.75 H new ATOM 0 HA ILE A 34 -11.249 4.805 4.552 1.00 0.62 H new ATOM 0 HB ILE A 34 -10.920 3.211 1.999 1.00 0.56 H new ATOM 0 HG12 ILE A 34 -9.173 2.104 3.602 1.00 0.64 H new ATOM 0 HG13 ILE A 34 -10.077 2.891 4.881 1.00 0.64 H new ATOM 0 HG21 ILE A 34 -8.523 3.768 2.110 1.00 0.64 H new ATOM 0 HG22 ILE A 34 -9.527 5.212 1.836 1.00 0.64 H new ATOM 0 HG23 ILE A 34 -8.852 4.891 3.451 1.00 0.64 H new ATOM 0 HD11 ILE A 34 -10.847 0.594 4.549 1.00 0.65 H new ATOM 0 HD12 ILE A 34 -12.137 1.750 4.144 1.00 0.65 H new ATOM 0 HD13 ILE A 34 -11.219 0.951 2.845 1.00 0.65 H new ATOM 543 N PRO A 35 -11.400 6.987 3.332 1.00 0.46 N ATOM 544 CA PRO A 35 -11.488 8.275 2.666 1.00 0.49 C ATOM 545 C PRO A 35 -10.147 8.739 2.097 1.00 0.51 C ATOM 546 O PRO A 35 -9.410 9.478 2.754 1.00 0.56 O ATOM 547 CB PRO A 35 -11.908 9.163 3.825 1.00 0.58 C ATOM 548 CG PRO A 35 -11.100 8.640 4.966 1.00 0.62 C ATOM 549 CD PRO A 35 -10.964 7.152 4.735 1.00 0.56 C ATOM 0 HA PRO A 35 -12.158 8.274 1.806 1.00 0.49 H new ATOM 0 HB2 PRO A 35 -11.692 10.213 3.627 1.00 0.58 H new ATOM 0 HB3 PRO A 35 -12.978 9.089 4.022 1.00 0.58 H new ATOM 0 HG2 PRO A 35 -10.122 9.120 5.003 1.00 0.62 H new ATOM 0 HG3 PRO A 35 -11.591 8.844 5.917 1.00 0.62 H new ATOM 0 HD2 PRO A 35 -9.938 6.814 4.880 1.00 0.56 H new ATOM 0 HD3 PRO A 35 -11.588 6.579 5.421 1.00 0.56 H new ATOM 557 N VAL A 36 -9.827 8.309 0.884 1.00 0.54 N ATOM 558 CA VAL A 36 -8.562 8.688 0.260 1.00 0.59 C ATOM 559 C VAL A 36 -8.711 8.911 -1.238 1.00 0.57 C ATOM 560 O VAL A 36 -9.691 8.484 -1.847 1.00 0.58 O ATOM 561 CB VAL A 36 -7.475 7.627 0.510 1.00 0.61 C ATOM 562 CG1 VAL A 36 -7.210 7.470 2.002 1.00 1.14 C ATOM 563 CG2 VAL A 36 -7.875 6.302 -0.113 1.00 0.88 C ATOM 0 H VAL A 36 -10.418 7.703 0.315 1.00 0.54 H new ATOM 0 HA VAL A 36 -8.260 9.628 0.722 1.00 0.59 H new ATOM 0 HB VAL A 36 -6.551 7.960 0.038 1.00 0.61 H new ATOM 0 HG11 VAL A 36 -6.439 6.716 2.157 1.00 1.14 H new ATOM 0 HG12 VAL A 36 -6.875 8.422 2.414 1.00 1.14 H new ATOM 0 HG13 VAL A 36 -8.127 7.160 2.504 1.00 1.14 H new ATOM 0 HG21 VAL A 36 -7.096 5.563 0.073 1.00 0.88 H new ATOM 0 HG22 VAL A 36 -8.812 5.961 0.328 1.00 0.88 H new ATOM 0 HG23 VAL A 36 -8.005 6.430 -1.188 1.00 0.88 H new ATOM 573 N ILE A 37 -7.733 9.598 -1.820 1.00 0.60 N ATOM 574 CA ILE A 37 -7.741 9.883 -3.248 1.00 0.64 C ATOM 575 C ILE A 37 -6.898 8.862 -4.007 1.00 0.59 C ATOM 576 O ILE A 37 -5.737 8.626 -3.672 1.00 0.57 O ATOM 577 CB ILE A 37 -7.212 11.302 -3.538 1.00 0.77 C ATOM 578 CG1 ILE A 37 -7.929 12.334 -2.657 1.00 0.87 C ATOM 579 CG2 ILE A 37 -7.386 11.644 -5.010 1.00 0.85 C ATOM 580 CD1 ILE A 37 -9.427 12.394 -2.876 1.00 0.90 C ATOM 0 H ILE A 37 -6.923 9.968 -1.322 1.00 0.60 H new ATOM 0 HA ILE A 37 -8.775 9.819 -3.587 1.00 0.64 H new ATOM 0 HB ILE A 37 -6.148 11.328 -3.302 1.00 0.77 H new ATOM 0 HG12 ILE A 37 -7.734 12.101 -1.610 1.00 0.87 H new ATOM 0 HG13 ILE A 37 -7.504 13.319 -2.849 1.00 0.87 H new ATOM 0 HG21 ILE A 37 -7.008 12.649 -5.197 1.00 0.85 H new ATOM 0 HG22 ILE A 37 -6.832 10.928 -5.618 1.00 0.85 H new ATOM 0 HG23 ILE A 37 -8.443 11.600 -5.271 1.00 0.85 H new ATOM 0 HD11 ILE A 37 -9.861 13.146 -2.217 1.00 0.90 H new ATOM 0 HD12 ILE A 37 -9.633 12.658 -3.913 1.00 0.90 H new ATOM 0 HD13 ILE A 37 -9.866 11.421 -2.655 1.00 0.90 H new ATOM 592 N ALA A 38 -7.494 8.257 -5.028 1.00 0.59 N ATOM 593 CA ALA A 38 -6.808 7.248 -5.834 1.00 0.61 C ATOM 594 C ALA A 38 -5.660 7.846 -6.645 1.00 0.57 C ATOM 595 O ALA A 38 -4.532 7.358 -6.589 1.00 0.64 O ATOM 596 CB ALA A 38 -7.800 6.555 -6.758 1.00 0.67 C ATOM 0 H ALA A 38 -8.453 8.447 -5.320 1.00 0.59 H new ATOM 0 HA ALA A 38 -6.377 6.517 -5.150 1.00 0.61 H new ATOM 0 HB1 ALA A 38 -7.280 5.805 -7.354 1.00 0.67 H new ATOM 0 HB2 ALA A 38 -8.575 6.072 -6.163 1.00 0.67 H new ATOM 0 HB3 ALA A 38 -8.257 7.291 -7.419 1.00 0.67 H new ATOM 602 N GLU A 39 -5.947 8.901 -7.402 1.00 0.51 N ATOM 603 CA GLU A 39 -4.924 9.542 -8.222 1.00 0.57 C ATOM 604 C GLU A 39 -3.756 10.030 -7.370 1.00 0.47 C ATOM 605 O GLU A 39 -2.662 10.268 -7.882 1.00 0.50 O ATOM 606 CB GLU A 39 -5.517 10.702 -9.025 1.00 0.76 C ATOM 607 CG GLU A 39 -6.421 11.615 -8.218 1.00 0.57 C ATOM 608 CD GLU A 39 -6.976 12.761 -9.041 1.00 0.94 C ATOM 609 OE1 GLU A 39 -8.018 12.568 -9.700 1.00 1.23 O ATOM 610 OE2 GLU A 39 -6.367 13.852 -9.026 1.00 1.28 O ATOM 0 H GLU A 39 -6.871 9.327 -7.465 1.00 0.51 H new ATOM 0 HA GLU A 39 -4.546 8.794 -8.919 1.00 0.57 H new ATOM 0 HB2 GLU A 39 -4.703 11.293 -9.445 1.00 0.76 H new ATOM 0 HB3 GLU A 39 -6.083 10.297 -9.864 1.00 0.76 H new ATOM 0 HG2 GLU A 39 -7.247 11.033 -7.809 1.00 0.57 H new ATOM 0 HG3 GLU A 39 -5.864 12.017 -7.372 1.00 0.57 H new ATOM 617 N GLN A 40 -3.992 10.180 -6.070 1.00 0.43 N ATOM 618 CA GLN A 40 -2.951 10.623 -5.152 1.00 0.45 C ATOM 619 C GLN A 40 -1.768 9.669 -5.182 1.00 0.37 C ATOM 620 O GLN A 40 -0.618 10.084 -5.050 1.00 0.47 O ATOM 621 CB GLN A 40 -3.494 10.693 -3.729 1.00 0.55 C ATOM 622 CG GLN A 40 -3.067 11.939 -2.977 1.00 0.49 C ATOM 623 CD GLN A 40 -3.476 11.905 -1.516 1.00 0.48 C ATOM 624 OE1 GLN A 40 -2.733 11.420 -0.663 1.00 0.75 O ATOM 625 NE2 GLN A 40 -4.662 12.424 -1.222 1.00 0.75 N ATOM 0 H GLN A 40 -4.895 10.001 -5.630 1.00 0.43 H new ATOM 0 HA GLN A 40 -2.624 11.613 -5.469 1.00 0.45 H new ATOM 0 HB2 GLN A 40 -4.583 10.654 -3.762 1.00 0.55 H new ATOM 0 HB3 GLN A 40 -3.160 9.814 -3.178 1.00 0.55 H new ATOM 0 HG2 GLN A 40 -1.985 12.048 -3.045 1.00 0.49 H new ATOM 0 HG3 GLN A 40 -3.506 12.815 -3.454 1.00 0.49 H new ATOM 0 HE21 GLN A 40 -5.245 12.815 -1.962 1.00 0.75 H new ATOM 0 HE22 GLN A 40 -4.990 12.431 -0.256 1.00 0.75 H new ATOM 634 N VAL A 41 -2.062 8.385 -5.345 1.00 0.31 N ATOM 635 CA VAL A 41 -1.025 7.370 -5.386 1.00 0.31 C ATOM 636 C VAL A 41 -0.570 7.115 -6.819 1.00 0.33 C ATOM 637 O VAL A 41 0.498 6.553 -7.055 1.00 0.43 O ATOM 638 CB VAL A 41 -1.507 6.046 -4.763 1.00 0.31 C ATOM 639 CG1 VAL A 41 -2.274 6.307 -3.476 1.00 0.31 C ATOM 640 CG2 VAL A 41 -2.355 5.264 -5.751 1.00 0.35 C ATOM 0 H VAL A 41 -3.011 8.025 -5.451 1.00 0.31 H new ATOM 0 HA VAL A 41 -0.185 7.747 -4.802 1.00 0.31 H new ATOM 0 HB VAL A 41 -0.632 5.444 -4.520 1.00 0.31 H new ATOM 0 HG11 VAL A 41 -2.606 5.359 -3.052 1.00 0.31 H new ATOM 0 HG12 VAL A 41 -1.626 6.817 -2.763 1.00 0.31 H new ATOM 0 HG13 VAL A 41 -3.141 6.932 -3.690 1.00 0.31 H new ATOM 0 HG21 VAL A 41 -2.685 4.333 -5.290 1.00 0.35 H new ATOM 0 HG22 VAL A 41 -3.225 5.857 -6.033 1.00 0.35 H new ATOM 0 HG23 VAL A 41 -1.765 5.040 -6.640 1.00 0.35 H new ATOM 650 N ALA A 42 -1.400 7.524 -7.774 1.00 0.34 N ATOM 651 CA ALA A 42 -1.095 7.331 -9.187 1.00 0.44 C ATOM 652 C ALA A 42 0.021 8.262 -9.670 1.00 0.57 C ATOM 653 O ALA A 42 0.648 7.999 -10.695 1.00 0.77 O ATOM 654 CB ALA A 42 -2.349 7.526 -10.025 1.00 0.42 C ATOM 0 H ALA A 42 -2.289 7.991 -7.595 1.00 0.34 H new ATOM 0 HA ALA A 42 -0.736 6.309 -9.308 1.00 0.44 H new ATOM 0 HB1 ALA A 42 -2.109 7.379 -11.078 1.00 0.42 H new ATOM 0 HB2 ALA A 42 -3.106 6.803 -9.721 1.00 0.42 H new ATOM 0 HB3 ALA A 42 -2.732 8.536 -9.877 1.00 0.42 H new ATOM 660 N ARG A 43 0.268 9.344 -8.933 1.00 0.49 N ATOM 661 CA ARG A 43 1.313 10.298 -9.315 1.00 0.61 C ATOM 662 C ARG A 43 2.707 9.699 -9.130 1.00 0.69 C ATOM 663 O ARG A 43 3.705 10.287 -9.544 1.00 0.81 O ATOM 664 CB ARG A 43 1.179 11.593 -8.507 1.00 0.60 C ATOM 665 CG ARG A 43 1.199 11.391 -6.999 1.00 0.85 C ATOM 666 CD ARG A 43 2.619 11.325 -6.452 1.00 0.68 C ATOM 667 NE ARG A 43 3.401 12.505 -6.810 1.00 1.29 N ATOM 668 CZ ARG A 43 4.727 12.570 -6.709 1.00 1.91 C ATOM 669 NH1 ARG A 43 5.414 11.523 -6.269 1.00 2.11 N ATOM 670 NH2 ARG A 43 5.366 13.680 -7.049 1.00 2.62 N ATOM 0 H ARG A 43 -0.234 9.582 -8.077 1.00 0.49 H new ATOM 0 HA ARG A 43 1.183 10.528 -10.373 1.00 0.61 H new ATOM 0 HB2 ARG A 43 1.991 12.266 -8.783 1.00 0.60 H new ATOM 0 HB3 ARG A 43 0.247 12.086 -8.784 1.00 0.60 H new ATOM 0 HG2 ARG A 43 0.662 12.208 -6.516 1.00 0.85 H new ATOM 0 HG3 ARG A 43 0.671 10.471 -6.749 1.00 0.85 H new ATOM 0 HD2 ARG A 43 2.585 11.229 -5.367 1.00 0.68 H new ATOM 0 HD3 ARG A 43 3.114 10.433 -6.836 1.00 0.68 H new ATOM 0 HE ARG A 43 2.904 13.325 -7.157 1.00 1.29 H new ATOM 0 HH11 ARG A 43 4.926 10.666 -6.007 1.00 2.11 H new ATOM 0 HH12 ARG A 43 6.430 11.575 -6.192 1.00 2.11 H new ATOM 0 HH21 ARG A 43 4.842 14.486 -7.389 1.00 2.62 H new ATOM 0 HH22 ARG A 43 6.382 13.728 -6.971 1.00 2.62 H new ATOM 684 N GLU A 44 2.762 8.529 -8.504 1.00 0.79 N ATOM 685 CA GLU A 44 4.033 7.854 -8.264 1.00 1.09 C ATOM 686 C GLU A 44 4.060 6.470 -8.904 1.00 1.38 C ATOM 687 O GLU A 44 4.772 6.246 -9.885 1.00 2.24 O ATOM 688 CB GLU A 44 4.317 7.753 -6.765 1.00 1.18 C ATOM 689 CG GLU A 44 3.066 7.731 -5.911 1.00 1.05 C ATOM 690 CD GLU A 44 3.357 7.465 -4.449 1.00 1.37 C ATOM 691 OE1 GLU A 44 3.415 6.279 -4.063 1.00 1.65 O ATOM 692 OE2 GLU A 44 3.524 8.442 -3.689 1.00 1.47 O ATOM 0 H GLU A 44 1.945 8.029 -8.154 1.00 0.79 H new ATOM 0 HA GLU A 44 4.816 8.453 -8.729 1.00 1.09 H new ATOM 0 HB2 GLU A 44 4.894 6.848 -6.573 1.00 1.18 H new ATOM 0 HB3 GLU A 44 4.938 8.597 -6.464 1.00 1.18 H new ATOM 0 HG2 GLU A 44 2.550 8.687 -6.006 1.00 1.05 H new ATOM 0 HG3 GLU A 44 2.389 6.964 -6.287 1.00 1.05 H new ATOM 699 N GLN A 45 3.273 5.552 -8.351 1.00 0.72 N ATOM 700 CA GLN A 45 3.202 4.186 -8.863 1.00 0.93 C ATOM 701 C GLN A 45 4.606 3.643 -9.151 1.00 0.74 C ATOM 702 O GLN A 45 4.985 3.468 -10.310 1.00 0.80 O ATOM 703 CB GLN A 45 2.344 4.136 -10.130 1.00 1.18 C ATOM 704 CG GLN A 45 2.122 2.730 -10.665 1.00 1.69 C ATOM 705 CD GLN A 45 1.464 1.815 -9.651 1.00 1.85 C ATOM 706 OE1 GLN A 45 2.280 1.124 -8.862 1.00 2.15 O flip ATOM 707 NE2 GLN A 45 0.240 1.728 -9.577 1.00 2.52 N flip ATOM 0 H GLN A 45 2.673 5.730 -7.545 1.00 0.72 H new ATOM 0 HA GLN A 45 2.739 3.558 -8.102 1.00 0.93 H new ATOM 0 HB2 GLN A 45 1.376 4.592 -9.921 1.00 1.18 H new ATOM 0 HB3 GLN A 45 2.820 4.738 -10.904 1.00 1.18 H new ATOM 0 HG2 GLN A 45 1.501 2.780 -11.560 1.00 1.69 H new ATOM 0 HG3 GLN A 45 3.080 2.304 -10.965 1.00 1.69 H new ATOM 0 HE21 GLN A 45 -0.349 2.277 -10.203 1.00 2.52 H new ATOM 0 HE22 GLN A 45 -0.186 1.107 -8.890 1.00 2.52 H new ATOM 716 N PRO A 46 5.401 3.392 -8.094 1.00 0.61 N ATOM 717 CA PRO A 46 6.768 2.876 -8.235 1.00 0.48 C ATOM 718 C PRO A 46 6.854 1.672 -9.170 1.00 0.45 C ATOM 719 O PRO A 46 6.042 0.750 -9.091 1.00 0.61 O ATOM 720 CB PRO A 46 7.141 2.474 -6.807 1.00 0.62 C ATOM 721 CG PRO A 46 6.329 3.374 -5.943 1.00 0.65 C ATOM 722 CD PRO A 46 5.036 3.600 -6.678 1.00 0.75 C ATOM 0 HA PRO A 46 7.435 3.616 -8.676 1.00 0.48 H new ATOM 0 HB2 PRO A 46 6.910 1.426 -6.616 1.00 0.62 H new ATOM 0 HB3 PRO A 46 8.208 2.604 -6.624 1.00 0.62 H new ATOM 0 HG2 PRO A 46 6.149 2.921 -4.968 1.00 0.65 H new ATOM 0 HG3 PRO A 46 6.847 4.317 -5.766 1.00 0.65 H new ATOM 0 HD2 PRO A 46 4.264 2.901 -6.356 1.00 0.75 H new ATOM 0 HD3 PRO A 46 4.648 4.604 -6.507 1.00 0.75 H new ATOM 730 N GLU A 47 7.847 1.695 -10.055 1.00 0.45 N ATOM 731 CA GLU A 47 8.051 0.611 -11.009 1.00 0.52 C ATOM 732 C GLU A 47 8.880 -0.514 -10.384 1.00 0.48 C ATOM 733 O GLU A 47 8.533 -1.688 -10.500 1.00 0.49 O ATOM 734 CB GLU A 47 8.725 1.152 -12.279 1.00 0.65 C ATOM 735 CG GLU A 47 9.997 0.421 -12.678 1.00 0.87 C ATOM 736 CD GLU A 47 10.521 0.863 -14.030 1.00 1.35 C ATOM 737 OE1 GLU A 47 10.048 0.327 -15.054 1.00 2.03 O ATOM 738 OE2 GLU A 47 11.407 1.742 -14.065 1.00 1.78 O ATOM 0 H GLU A 47 8.524 2.454 -10.131 1.00 0.45 H new ATOM 0 HA GLU A 47 7.081 0.195 -11.281 1.00 0.52 H new ATOM 0 HB2 GLU A 47 8.015 1.096 -13.104 1.00 0.65 H new ATOM 0 HB3 GLU A 47 8.958 2.206 -12.130 1.00 0.65 H new ATOM 0 HG2 GLU A 47 10.763 0.592 -11.922 1.00 0.87 H new ATOM 0 HG3 GLU A 47 9.804 -0.652 -12.700 1.00 0.87 H new ATOM 745 N ASN A 48 9.984 -0.144 -9.741 1.00 0.51 N ATOM 746 CA ASN A 48 10.861 -1.113 -9.086 1.00 0.51 C ATOM 747 C ASN A 48 10.107 -1.929 -8.031 1.00 0.37 C ATOM 748 O ASN A 48 10.643 -2.891 -7.482 1.00 0.55 O ATOM 749 CB ASN A 48 12.042 -0.387 -8.434 1.00 0.64 C ATOM 750 CG ASN A 48 13.246 -1.286 -8.227 1.00 1.34 C ATOM 751 OD1 ASN A 48 14.435 -0.691 -8.237 1.00 2.17 O flip ATOM 752 ND2 ASN A 48 13.113 -2.498 -8.061 1.00 1.77 N flip ATOM 0 H ASN A 48 10.294 0.824 -9.659 1.00 0.51 H new ATOM 0 HA ASN A 48 11.228 -1.803 -9.846 1.00 0.51 H new ATOM 0 HB2 ASN A 48 12.330 0.460 -9.057 1.00 0.64 H new ATOM 0 HB3 ASN A 48 11.727 0.017 -7.472 1.00 0.64 H new ATOM 0 HD21 ASN A 48 12.181 -2.913 -8.060 1.00 1.77 H new ATOM 0 HD22 ASN A 48 13.934 -3.087 -7.924 1.00 1.77 H new ATOM 759 N LEU A 49 8.855 -1.555 -7.774 1.00 0.29 N ATOM 760 CA LEU A 49 8.034 -2.240 -6.788 1.00 0.21 C ATOM 761 C LEU A 49 6.616 -2.440 -7.312 1.00 0.23 C ATOM 762 O LEU A 49 5.693 -2.711 -6.543 1.00 0.28 O ATOM 763 CB LEU A 49 7.995 -1.449 -5.477 1.00 0.34 C ATOM 764 CG LEU A 49 8.960 -1.928 -4.386 1.00 0.34 C ATOM 765 CD1 LEU A 49 8.794 -3.421 -4.148 1.00 0.65 C ATOM 766 CD2 LEU A 49 10.398 -1.600 -4.757 1.00 0.66 C ATOM 0 H LEU A 49 8.389 -0.777 -8.240 1.00 0.29 H new ATOM 0 HA LEU A 49 8.480 -3.217 -6.599 1.00 0.21 H new ATOM 0 HB2 LEU A 49 8.214 -0.404 -5.697 1.00 0.34 H new ATOM 0 HB3 LEU A 49 6.980 -1.486 -5.081 1.00 0.34 H new ATOM 0 HG LEU A 49 8.720 -1.403 -3.461 1.00 0.34 H new ATOM 0 HD11 LEU A 49 9.486 -3.745 -3.371 1.00 0.65 H new ATOM 0 HD12 LEU A 49 7.771 -3.628 -3.832 1.00 0.65 H new ATOM 0 HD13 LEU A 49 9.005 -3.962 -5.070 1.00 0.65 H new ATOM 0 HD21 LEU A 49 11.066 -1.949 -3.969 1.00 0.66 H new ATOM 0 HD22 LEU A 49 10.654 -2.094 -5.694 1.00 0.66 H new ATOM 0 HD23 LEU A 49 10.507 -0.522 -4.874 1.00 0.66 H new ATOM 778 N ARG A 50 6.450 -2.313 -8.625 1.00 0.27 N ATOM 779 CA ARG A 50 5.144 -2.478 -9.246 1.00 0.33 C ATOM 780 C ARG A 50 4.656 -3.909 -9.070 1.00 0.33 C ATOM 781 O ARG A 50 3.455 -4.179 -9.126 1.00 0.43 O ATOM 782 CB ARG A 50 5.207 -2.123 -10.732 1.00 0.41 C ATOM 783 CG ARG A 50 5.978 -3.131 -11.571 1.00 1.10 C ATOM 784 CD ARG A 50 5.936 -2.771 -13.046 1.00 1.23 C ATOM 785 NE ARG A 50 6.569 -3.791 -13.878 1.00 1.88 N ATOM 786 CZ ARG A 50 6.166 -4.092 -15.108 1.00 2.37 C ATOM 787 NH1 ARG A 50 5.132 -3.458 -15.646 1.00 2.41 N ATOM 788 NH2 ARG A 50 6.797 -5.030 -15.803 1.00 3.19 N ATOM 0 H ARG A 50 7.204 -2.097 -9.277 1.00 0.27 H new ATOM 0 HA ARG A 50 4.442 -1.802 -8.758 1.00 0.33 H new ATOM 0 HB2 ARG A 50 4.192 -2.042 -11.120 1.00 0.41 H new ATOM 0 HB3 ARG A 50 5.670 -1.142 -10.843 1.00 0.41 H new ATOM 0 HG2 ARG A 50 7.014 -3.171 -11.234 1.00 1.10 H new ATOM 0 HG3 ARG A 50 5.557 -4.126 -11.425 1.00 1.10 H new ATOM 0 HD2 ARG A 50 4.900 -2.641 -13.358 1.00 1.23 H new ATOM 0 HD3 ARG A 50 6.437 -1.815 -13.200 1.00 1.23 H new ATOM 0 HE ARG A 50 7.365 -4.301 -13.494 1.00 1.88 H new ATOM 0 HH11 ARG A 50 4.644 -2.737 -15.115 1.00 2.41 H new ATOM 0 HH12 ARG A 50 4.826 -3.692 -16.590 1.00 2.41 H new ATOM 0 HH21 ARG A 50 7.592 -5.520 -15.393 1.00 3.19 H new ATOM 0 HH22 ARG A 50 6.487 -5.261 -16.747 1.00 3.19 H new ATOM 802 N THR A 51 5.598 -4.821 -8.857 1.00 0.27 N ATOM 803 CA THR A 51 5.269 -6.225 -8.661 1.00 0.28 C ATOM 804 C THR A 51 4.555 -6.414 -7.330 1.00 0.25 C ATOM 805 O THR A 51 3.570 -7.136 -7.237 1.00 0.30 O ATOM 806 CB THR A 51 6.531 -7.108 -8.689 1.00 0.29 C ATOM 807 OG1 THR A 51 7.234 -6.922 -9.925 1.00 0.35 O ATOM 808 CG2 THR A 51 6.167 -8.574 -8.523 1.00 0.36 C ATOM 0 H THR A 51 6.595 -4.612 -8.816 1.00 0.27 H new ATOM 0 HA THR A 51 4.616 -6.528 -9.479 1.00 0.28 H new ATOM 0 HB THR A 51 7.173 -6.812 -7.859 1.00 0.29 H new ATOM 0 HG1 THR A 51 8.036 -7.486 -9.933 1.00 0.35 H new ATOM 0 HG21 THR A 51 7.074 -9.179 -8.546 1.00 0.36 H new ATOM 0 HG22 THR A 51 5.659 -8.717 -7.569 1.00 0.36 H new ATOM 0 HG23 THR A 51 5.507 -8.879 -9.335 1.00 0.36 H new ATOM 816 N TYR A 52 5.066 -5.750 -6.303 1.00 0.20 N ATOM 817 CA TYR A 52 4.487 -5.820 -4.975 1.00 0.19 C ATOM 818 C TYR A 52 3.087 -5.208 -4.968 1.00 0.18 C ATOM 819 O TYR A 52 2.152 -5.768 -4.398 1.00 0.22 O ATOM 820 CB TYR A 52 5.403 -5.079 -4.000 1.00 0.21 C ATOM 821 CG TYR A 52 5.082 -5.313 -2.544 1.00 0.27 C ATOM 822 CD1 TYR A 52 4.836 -6.590 -2.063 1.00 0.41 C ATOM 823 CD2 TYR A 52 5.009 -4.251 -1.653 1.00 0.27 C ATOM 824 CE1 TYR A 52 4.530 -6.806 -0.737 1.00 0.50 C ATOM 825 CE2 TYR A 52 4.703 -4.458 -0.324 1.00 0.35 C ATOM 826 CZ TYR A 52 4.519 -5.746 0.141 1.00 0.46 C ATOM 827 OH TYR A 52 4.157 -5.948 1.455 1.00 0.56 O ATOM 0 H TYR A 52 5.889 -5.151 -6.369 1.00 0.20 H new ATOM 0 HA TYR A 52 4.396 -6.862 -4.670 1.00 0.19 H new ATOM 0 HB2 TYR A 52 6.433 -5.383 -4.186 1.00 0.21 H new ATOM 0 HB3 TYR A 52 5.344 -4.010 -4.206 1.00 0.21 H new ATOM 0 HD1 TYR A 52 4.885 -7.430 -2.740 1.00 0.41 H new ATOM 0 HD2 TYR A 52 5.195 -3.247 -2.006 1.00 0.27 H new ATOM 0 HE1 TYR A 52 4.300 -7.802 -0.388 1.00 0.50 H new ATOM 0 HE2 TYR A 52 4.608 -3.619 0.349 1.00 0.35 H new ATOM 0 HH TYR A 52 4.203 -5.098 1.941 1.00 0.56 H new ATOM 837 N PHE A 53 2.964 -4.048 -5.606 1.00 0.17 N ATOM 838 CA PHE A 53 1.692 -3.334 -5.693 1.00 0.18 C ATOM 839 C PHE A 53 0.580 -4.206 -6.266 1.00 0.16 C ATOM 840 O PHE A 53 -0.532 -4.201 -5.749 1.00 0.19 O ATOM 841 CB PHE A 53 1.874 -2.044 -6.510 1.00 0.20 C ATOM 842 CG PHE A 53 0.697 -1.628 -7.359 1.00 0.24 C ATOM 843 CD1 PHE A 53 0.466 -2.232 -8.587 1.00 0.32 C ATOM 844 CD2 PHE A 53 -0.191 -0.655 -6.920 1.00 0.29 C ATOM 845 CE1 PHE A 53 -0.622 -1.869 -9.362 1.00 0.37 C ATOM 846 CE2 PHE A 53 -1.278 -0.291 -7.691 1.00 0.36 C ATOM 847 CZ PHE A 53 -1.452 -0.821 -8.934 1.00 0.37 C ATOM 0 H PHE A 53 3.738 -3.578 -6.075 1.00 0.17 H new ATOM 0 HA PHE A 53 1.382 -3.070 -4.682 1.00 0.18 H new ATOM 0 HB2 PHE A 53 2.106 -1.231 -5.822 1.00 0.20 H new ATOM 0 HB3 PHE A 53 2.740 -2.168 -7.160 1.00 0.20 H new ATOM 0 HD1 PHE A 53 1.143 -2.994 -8.942 1.00 0.32 H new ATOM 0 HD2 PHE A 53 -0.030 -0.177 -5.965 1.00 0.29 H new ATOM 0 HE1 PHE A 53 -0.830 -2.387 -10.287 1.00 0.37 H new ATOM 0 HE2 PHE A 53 -1.995 0.419 -7.306 1.00 0.36 H new ATOM 0 HZ PHE A 53 -2.223 -0.437 -9.586 1.00 0.37 H new ATOM 857 N MET A 54 0.872 -4.955 -7.330 1.00 0.18 N ATOM 858 CA MET A 54 -0.141 -5.814 -7.942 1.00 0.22 C ATOM 859 C MET A 54 -0.450 -7.012 -7.048 1.00 0.25 C ATOM 860 O MET A 54 -1.599 -7.435 -6.938 1.00 0.27 O ATOM 861 CB MET A 54 0.302 -6.283 -9.332 1.00 0.27 C ATOM 862 CG MET A 54 1.632 -7.015 -9.341 1.00 1.07 C ATOM 863 SD MET A 54 2.095 -7.595 -10.984 1.00 1.58 S ATOM 864 CE MET A 54 2.211 -6.046 -11.873 1.00 1.82 C ATOM 0 H MET A 54 1.787 -4.985 -7.780 1.00 0.18 H new ATOM 0 HA MET A 54 -1.052 -5.226 -8.055 1.00 0.22 H new ATOM 0 HB2 MET A 54 -0.465 -6.939 -9.745 1.00 0.27 H new ATOM 0 HB3 MET A 54 0.370 -5.418 -9.992 1.00 0.27 H new ATOM 0 HG2 MET A 54 2.410 -6.352 -8.962 1.00 1.07 H new ATOM 0 HG3 MET A 54 1.579 -7.866 -8.661 1.00 1.07 H new ATOM 0 HE1 MET A 54 3.047 -6.089 -12.571 1.00 1.82 H new ATOM 0 HE2 MET A 54 1.287 -5.873 -12.425 1.00 1.82 H new ATOM 0 HE3 MET A 54 2.369 -5.232 -11.166 1.00 1.82 H new ATOM 874 N GLU A 55 0.585 -7.563 -6.423 1.00 0.26 N ATOM 875 CA GLU A 55 0.419 -8.695 -5.521 1.00 0.31 C ATOM 876 C GLU A 55 -0.571 -8.335 -4.432 1.00 0.30 C ATOM 877 O GLU A 55 -1.583 -9.008 -4.245 1.00 0.37 O ATOM 878 CB GLU A 55 1.762 -9.089 -4.909 1.00 0.33 C ATOM 879 CG GLU A 55 2.742 -9.643 -5.924 1.00 0.41 C ATOM 880 CD GLU A 55 2.348 -11.017 -6.429 1.00 1.06 C ATOM 881 OE1 GLU A 55 1.586 -11.091 -7.415 1.00 1.84 O ATOM 882 OE2 GLU A 55 2.800 -12.019 -5.836 1.00 0.92 O ATOM 0 H GLU A 55 1.548 -7.243 -6.525 1.00 0.26 H new ATOM 0 HA GLU A 55 0.037 -9.546 -6.084 1.00 0.31 H new ATOM 0 HB2 GLU A 55 2.203 -8.217 -4.426 1.00 0.33 H new ATOM 0 HB3 GLU A 55 1.595 -9.834 -4.131 1.00 0.33 H new ATOM 0 HG2 GLU A 55 2.812 -8.957 -6.768 1.00 0.41 H new ATOM 0 HG3 GLU A 55 3.733 -9.696 -5.474 1.00 0.41 H new ATOM 889 N ARG A 56 -0.267 -7.263 -3.713 1.00 0.29 N ATOM 890 CA ARG A 56 -1.145 -6.789 -2.664 1.00 0.32 C ATOM 891 C ARG A 56 -2.464 -6.353 -3.281 1.00 0.28 C ATOM 892 O ARG A 56 -3.522 -6.544 -2.701 1.00 0.29 O ATOM 893 CB ARG A 56 -0.500 -5.619 -1.918 1.00 0.40 C ATOM 894 CG ARG A 56 -1.348 -5.068 -0.781 1.00 0.74 C ATOM 895 CD ARG A 56 -1.202 -5.899 0.485 1.00 0.84 C ATOM 896 NE ARG A 56 -1.873 -7.191 0.382 1.00 1.54 N ATOM 897 CZ ARG A 56 -1.989 -8.044 1.397 1.00 1.82 C ATOM 898 NH1 ARG A 56 -1.484 -7.741 2.586 1.00 1.80 N ATOM 899 NH2 ARG A 56 -2.614 -9.201 1.225 1.00 2.57 N ATOM 0 H ARG A 56 0.580 -6.709 -3.840 1.00 0.29 H new ATOM 0 HA ARG A 56 -1.323 -7.593 -1.950 1.00 0.32 H new ATOM 0 HB2 ARG A 56 0.461 -5.942 -1.518 1.00 0.40 H new ATOM 0 HB3 ARG A 56 -0.296 -4.817 -2.627 1.00 0.40 H new ATOM 0 HG2 ARG A 56 -1.056 -4.038 -0.576 1.00 0.74 H new ATOM 0 HG3 ARG A 56 -2.395 -5.048 -1.084 1.00 0.74 H new ATOM 0 HD2 ARG A 56 -0.144 -6.058 0.692 1.00 0.84 H new ATOM 0 HD3 ARG A 56 -1.613 -5.345 1.329 1.00 0.84 H new ATOM 0 HE ARG A 56 -2.275 -7.455 -0.517 1.00 1.54 H new ATOM 0 HH11 ARG A 56 -1.005 -6.851 2.725 1.00 1.80 H new ATOM 0 HH12 ARG A 56 -1.575 -8.398 3.361 1.00 1.80 H new ATOM 0 HH21 ARG A 56 -3.007 -9.438 0.314 1.00 2.57 H new ATOM 0 HH22 ARG A 56 -2.702 -9.854 2.004 1.00 2.57 H new ATOM 913 N LEU A 57 -2.381 -5.775 -4.478 1.00 0.29 N ATOM 914 CA LEU A 57 -3.563 -5.304 -5.192 1.00 0.34 C ATOM 915 C LEU A 57 -4.620 -6.396 -5.322 1.00 0.32 C ATOM 916 O LEU A 57 -5.779 -6.177 -4.985 1.00 0.40 O ATOM 917 CB LEU A 57 -3.192 -4.789 -6.584 1.00 0.45 C ATOM 918 CG LEU A 57 -4.379 -4.497 -7.502 1.00 0.58 C ATOM 919 CD1 LEU A 57 -5.196 -3.328 -6.972 1.00 1.09 C ATOM 920 CD2 LEU A 57 -3.901 -4.217 -8.920 1.00 1.03 C ATOM 0 H LEU A 57 -1.503 -5.622 -4.974 1.00 0.29 H new ATOM 0 HA LEU A 57 -3.981 -4.487 -4.604 1.00 0.34 H new ATOM 0 HB2 LEU A 57 -2.605 -3.877 -6.473 1.00 0.45 H new ATOM 0 HB3 LEU A 57 -2.550 -5.525 -7.068 1.00 0.45 H new ATOM 0 HG LEU A 57 -5.020 -5.378 -7.522 1.00 0.58 H new ATOM 0 HD11 LEU A 57 -6.035 -3.138 -7.641 1.00 1.09 H new ATOM 0 HD12 LEU A 57 -5.572 -3.568 -5.977 1.00 1.09 H new ATOM 0 HD13 LEU A 57 -4.567 -2.439 -6.918 1.00 1.09 H new ATOM 0 HD21 LEU A 57 -4.759 -4.011 -9.559 1.00 1.03 H new ATOM 0 HD22 LEU A 57 -3.236 -3.353 -8.916 1.00 1.03 H new ATOM 0 HD23 LEU A 57 -3.365 -5.086 -9.301 1.00 1.03 H new ATOM 932 N ARG A 58 -4.219 -7.567 -5.807 1.00 0.33 N ATOM 933 CA ARG A 58 -5.159 -8.664 -5.998 1.00 0.40 C ATOM 934 C ARG A 58 -5.606 -9.270 -4.669 1.00 0.39 C ATOM 935 O ARG A 58 -6.781 -9.585 -4.494 1.00 0.47 O ATOM 936 CB ARG A 58 -4.546 -9.750 -6.890 1.00 0.49 C ATOM 937 CG ARG A 58 -3.588 -10.682 -6.164 1.00 0.55 C ATOM 938 CD ARG A 58 -3.075 -11.775 -7.082 1.00 0.67 C ATOM 939 NE ARG A 58 -2.190 -11.252 -8.119 1.00 1.20 N ATOM 940 CZ ARG A 58 -1.247 -11.976 -8.716 1.00 1.40 C ATOM 941 NH1 ARG A 58 -1.056 -13.242 -8.368 1.00 0.89 N ATOM 942 NH2 ARG A 58 -0.491 -11.433 -9.662 1.00 2.29 N ATOM 0 H ARG A 58 -3.257 -7.779 -6.073 1.00 0.33 H new ATOM 0 HA ARG A 58 -6.040 -8.251 -6.489 1.00 0.40 H new ATOM 0 HB2 ARG A 58 -5.350 -10.342 -7.328 1.00 0.49 H new ATOM 0 HB3 ARG A 58 -4.016 -9.272 -7.714 1.00 0.49 H new ATOM 0 HG2 ARG A 58 -2.747 -10.109 -5.773 1.00 0.55 H new ATOM 0 HG3 ARG A 58 -4.093 -11.131 -5.309 1.00 0.55 H new ATOM 0 HD2 ARG A 58 -2.541 -12.521 -6.493 1.00 0.67 H new ATOM 0 HD3 ARG A 58 -3.920 -12.282 -7.549 1.00 0.67 H new ATOM 0 HE ARG A 58 -2.301 -10.278 -8.401 1.00 1.20 H new ATOM 0 HH11 ARG A 58 -1.633 -13.664 -7.640 1.00 0.89 H new ATOM 0 HH12 ARG A 58 -0.332 -13.794 -8.828 1.00 0.89 H new ATOM 0 HH21 ARG A 58 -0.633 -10.460 -9.932 1.00 2.29 H new ATOM 0 HH22 ARG A 58 0.232 -11.989 -10.119 1.00 2.29 H new ATOM 956 N HIS A 59 -4.672 -9.411 -3.727 1.00 0.38 N ATOM 957 CA HIS A 59 -4.996 -10.010 -2.430 1.00 0.50 C ATOM 958 C HIS A 59 -5.800 -9.063 -1.545 1.00 0.44 C ATOM 959 O HIS A 59 -6.865 -9.421 -1.041 1.00 0.46 O ATOM 960 CB HIS A 59 -3.721 -10.459 -1.710 1.00 0.68 C ATOM 961 CG HIS A 59 -3.134 -11.727 -2.257 1.00 1.36 C ATOM 962 ND1 HIS A 59 -3.488 -12.979 -1.797 1.00 1.75 N ATOM 963 CD2 HIS A 59 -2.213 -11.933 -3.228 1.00 2.34 C ATOM 964 CE1 HIS A 59 -2.810 -13.898 -2.460 1.00 2.36 C ATOM 965 NE2 HIS A 59 -2.029 -13.290 -3.336 1.00 2.78 N ATOM 0 H HIS A 59 -3.699 -9.124 -3.834 1.00 0.38 H new ATOM 0 HA HIS A 59 -5.620 -10.882 -2.625 1.00 0.50 H new ATOM 0 HB2 HIS A 59 -2.977 -9.665 -1.779 1.00 0.68 H new ATOM 0 HB3 HIS A 59 -3.942 -10.598 -0.652 1.00 0.68 H new ATOM 0 HD2 HIS A 59 -1.715 -11.171 -3.810 1.00 2.34 H new ATOM 0 HE1 HIS A 59 -2.882 -14.965 -2.312 1.00 2.36 H new ATOM 0 HE2 HIS A 59 -1.394 -13.753 -3.986 1.00 2.78 H new ATOM 974 N TYR A 60 -5.290 -7.866 -1.334 1.00 0.49 N ATOM 975 CA TYR A 60 -6.004 -6.898 -0.525 1.00 0.63 C ATOM 976 C TYR A 60 -7.402 -6.696 -1.116 1.00 0.51 C ATOM 977 O TYR A 60 -8.374 -6.500 -0.387 1.00 0.55 O ATOM 978 CB TYR A 60 -5.208 -5.598 -0.427 1.00 0.94 C ATOM 979 CG TYR A 60 -5.778 -4.481 -1.237 1.00 0.47 C ATOM 980 CD1 TYR A 60 -6.780 -3.694 -0.722 1.00 1.22 C ATOM 981 CD2 TYR A 60 -5.325 -4.225 -2.515 1.00 0.97 C ATOM 982 CE1 TYR A 60 -7.321 -2.675 -1.455 1.00 2.23 C ATOM 983 CE2 TYR A 60 -5.857 -3.207 -3.260 1.00 1.87 C ATOM 984 CZ TYR A 60 -6.857 -2.433 -2.729 1.00 2.50 C ATOM 985 OH TYR A 60 -7.386 -1.413 -3.467 1.00 3.56 O ATOM 0 H TYR A 60 -4.397 -7.543 -1.705 1.00 0.49 H new ATOM 0 HA TYR A 60 -6.121 -7.263 0.495 1.00 0.63 H new ATOM 0 HB2 TYR A 60 -5.160 -5.290 0.617 1.00 0.94 H new ATOM 0 HB3 TYR A 60 -4.184 -5.784 -0.751 1.00 0.94 H new ATOM 0 HD1 TYR A 60 -7.145 -3.883 0.277 1.00 1.22 H new ATOM 0 HD2 TYR A 60 -4.539 -4.837 -2.934 1.00 0.97 H new ATOM 0 HE1 TYR A 60 -8.107 -2.063 -1.038 1.00 2.23 H new ATOM 0 HE2 TYR A 60 -5.492 -3.015 -4.258 1.00 1.87 H new ATOM 0 HH TYR A 60 -6.680 -1.000 -4.007 1.00 3.56 H new ATOM 995 N ARG A 61 -7.486 -6.741 -2.447 1.00 0.49 N ATOM 996 CA ARG A 61 -8.770 -6.621 -3.134 1.00 0.60 C ATOM 997 C ARG A 61 -9.677 -7.778 -2.728 1.00 0.51 C ATOM 998 O ARG A 61 -10.900 -7.651 -2.716 1.00 0.58 O ATOM 999 CB ARG A 61 -8.585 -6.607 -4.653 1.00 0.74 C ATOM 1000 CG ARG A 61 -9.879 -6.397 -5.424 1.00 1.16 C ATOM 1001 CD ARG A 61 -9.636 -6.352 -6.925 1.00 1.30 C ATOM 1002 NE ARG A 61 -10.861 -6.077 -7.669 1.00 2.29 N ATOM 1003 CZ ARG A 61 -10.918 -5.990 -8.995 1.00 2.72 C ATOM 1004 NH1 ARG A 61 -9.819 -6.146 -9.722 1.00 2.33 N ATOM 1005 NH2 ARG A 61 -12.075 -5.745 -9.595 1.00 3.83 N ATOM 0 H ARG A 61 -6.684 -6.859 -3.066 1.00 0.49 H new ATOM 0 HA ARG A 61 -9.230 -5.677 -2.843 1.00 0.60 H new ATOM 0 HB2 ARG A 61 -7.882 -5.817 -4.917 1.00 0.74 H new ATOM 0 HB3 ARG A 61 -8.136 -7.550 -4.964 1.00 0.74 H new ATOM 0 HG2 ARG A 61 -10.576 -7.202 -5.192 1.00 1.16 H new ATOM 0 HG3 ARG A 61 -10.348 -5.467 -5.103 1.00 1.16 H new ATOM 0 HD2 ARG A 61 -8.895 -5.584 -7.150 1.00 1.30 H new ATOM 0 HD3 ARG A 61 -9.218 -7.304 -7.253 1.00 1.30 H new ATOM 0 HE ARG A 61 -11.724 -5.944 -7.141 1.00 2.29 H new ATOM 0 HH11 ARG A 61 -8.927 -6.333 -9.264 1.00 2.33 H new ATOM 0 HH12 ARG A 61 -9.866 -6.079 -10.739 1.00 2.33 H new ATOM 0 HH21 ARG A 61 -12.922 -5.623 -9.040 1.00 3.83 H new ATOM 0 HH22 ARG A 61 -12.118 -5.678 -10.612 1.00 3.83 H new ATOM 1019 N GLN A 62 -9.055 -8.908 -2.392 1.00 0.42 N ATOM 1020 CA GLN A 62 -9.807 -10.081 -1.956 1.00 0.44 C ATOM 1021 C GLN A 62 -10.596 -9.712 -0.720 1.00 0.34 C ATOM 1022 O GLN A 62 -11.661 -10.270 -0.451 1.00 0.41 O ATOM 1023 CB GLN A 62 -8.891 -11.265 -1.657 1.00 0.49 C ATOM 1024 CG GLN A 62 -8.101 -11.707 -2.864 1.00 0.65 C ATOM 1025 CD GLN A 62 -7.309 -12.977 -2.630 1.00 1.17 C ATOM 1026 OE1 GLN A 62 -7.705 -13.838 -1.842 1.00 1.68 O ATOM 1027 NE2 GLN A 62 -6.178 -13.098 -3.315 1.00 1.32 N ATOM 0 H GLN A 62 -8.043 -9.034 -2.413 1.00 0.42 H new ATOM 0 HA GLN A 62 -10.475 -10.387 -2.761 1.00 0.44 H new ATOM 0 HB2 GLN A 62 -8.203 -10.994 -0.856 1.00 0.49 H new ATOM 0 HB3 GLN A 62 -9.490 -12.100 -1.294 1.00 0.49 H new ATOM 0 HG2 GLN A 62 -8.784 -11.862 -3.700 1.00 0.65 H new ATOM 0 HG3 GLN A 62 -7.417 -10.909 -3.154 1.00 0.65 H new ATOM 0 HE21 GLN A 62 -5.889 -12.360 -3.957 1.00 1.32 H new ATOM 0 HE22 GLN A 62 -5.598 -13.929 -3.199 1.00 1.32 H new ATOM 1036 N LEU A 63 -10.055 -8.761 0.033 1.00 0.31 N ATOM 1037 CA LEU A 63 -10.719 -8.282 1.225 1.00 0.40 C ATOM 1038 C LEU A 63 -11.772 -7.256 0.840 1.00 0.49 C ATOM 1039 O LEU A 63 -12.819 -7.170 1.463 1.00 0.75 O ATOM 1040 CB LEU A 63 -9.724 -7.671 2.212 1.00 0.62 C ATOM 1041 CG LEU A 63 -8.868 -8.678 2.986 1.00 0.66 C ATOM 1042 CD1 LEU A 63 -7.881 -9.372 2.062 1.00 1.45 C ATOM 1043 CD2 LEU A 63 -8.138 -7.985 4.127 1.00 1.57 C ATOM 0 H LEU A 63 -9.161 -8.312 -0.165 1.00 0.31 H new ATOM 0 HA LEU A 63 -11.195 -9.130 1.718 1.00 0.40 H new ATOM 0 HB2 LEU A 63 -9.061 -7.000 1.666 1.00 0.62 H new ATOM 0 HB3 LEU A 63 -10.275 -7.062 2.928 1.00 0.62 H new ATOM 0 HG LEU A 63 -9.528 -9.437 3.406 1.00 0.66 H new ATOM 0 HD11 LEU A 63 -7.284 -10.082 2.634 1.00 1.45 H new ATOM 0 HD12 LEU A 63 -8.425 -9.902 1.280 1.00 1.45 H new ATOM 0 HD13 LEU A 63 -7.224 -8.630 1.608 1.00 1.45 H new ATOM 0 HD21 LEU A 63 -7.534 -8.713 4.668 1.00 1.57 H new ATOM 0 HD22 LEU A 63 -7.492 -7.205 3.725 1.00 1.57 H new ATOM 0 HD23 LEU A 63 -8.865 -7.540 4.807 1.00 1.57 H new ATOM 1055 N SER A 64 -11.492 -6.482 -0.204 1.00 0.43 N ATOM 1056 CA SER A 64 -12.439 -5.478 -0.670 1.00 0.60 C ATOM 1057 C SER A 64 -13.806 -6.119 -0.878 1.00 0.76 C ATOM 1058 O SER A 64 -14.837 -5.461 -0.763 1.00 0.99 O ATOM 1059 CB SER A 64 -11.953 -4.837 -1.970 1.00 0.65 C ATOM 1060 OG SER A 64 -12.911 -3.924 -2.477 1.00 1.62 O ATOM 0 H SER A 64 -10.625 -6.530 -0.739 1.00 0.43 H new ATOM 0 HA SER A 64 -12.519 -4.696 0.085 1.00 0.60 H new ATOM 0 HB2 SER A 64 -11.010 -4.319 -1.794 1.00 0.65 H new ATOM 0 HB3 SER A 64 -11.757 -5.612 -2.711 1.00 0.65 H new ATOM 0 HG SER A 64 -12.576 -3.526 -3.308 1.00 1.62 H new ATOM 1066 N LEU A 65 -13.793 -7.410 -1.201 1.00 0.70 N ATOM 1067 CA LEU A 65 -15.013 -8.165 -1.412 1.00 0.88 C ATOM 1068 C LEU A 65 -15.452 -8.895 -0.140 1.00 0.97 C ATOM 1069 O LEU A 65 -16.592 -8.750 0.301 1.00 1.35 O ATOM 1070 CB LEU A 65 -14.811 -9.173 -2.539 1.00 0.91 C ATOM 1071 CG LEU A 65 -14.761 -8.558 -3.932 1.00 1.53 C ATOM 1072 CD1 LEU A 65 -13.563 -7.641 -4.070 1.00 2.32 C ATOM 1073 CD2 LEU A 65 -14.746 -9.638 -5.002 1.00 1.80 C ATOM 0 H LEU A 65 -12.939 -7.954 -1.322 1.00 0.70 H new ATOM 0 HA LEU A 65 -15.798 -7.460 -1.684 1.00 0.88 H new ATOM 0 HB2 LEU A 65 -13.883 -9.717 -2.362 1.00 0.91 H new ATOM 0 HB3 LEU A 65 -15.620 -9.903 -2.506 1.00 0.91 H new ATOM 0 HG LEU A 65 -15.662 -7.961 -4.072 1.00 1.53 H new ATOM 0 HD11 LEU A 65 -13.546 -7.212 -5.072 1.00 2.32 H new ATOM 0 HD12 LEU A 65 -13.631 -6.840 -3.334 1.00 2.32 H new ATOM 0 HD13 LEU A 65 -12.648 -8.210 -3.903 1.00 2.32 H new ATOM 0 HD21 LEU A 65 -14.710 -9.173 -5.987 1.00 1.80 H new ATOM 0 HD22 LEU A 65 -13.869 -10.271 -4.867 1.00 1.80 H new ATOM 0 HD23 LEU A 65 -15.648 -10.245 -4.919 1.00 1.80 H new ATOM 1085 N GLN A 66 -14.547 -9.685 0.447 1.00 0.75 N ATOM 1086 CA GLN A 66 -14.873 -10.438 1.665 1.00 0.88 C ATOM 1087 C GLN A 66 -15.260 -9.522 2.839 1.00 0.97 C ATOM 1088 O GLN A 66 -16.224 -9.801 3.549 1.00 1.15 O ATOM 1089 CB GLN A 66 -13.702 -11.351 2.065 1.00 0.83 C ATOM 1090 CG GLN A 66 -12.674 -10.685 2.964 1.00 0.81 C ATOM 1091 CD GLN A 66 -13.089 -10.670 4.424 1.00 0.93 C ATOM 1092 OE1 GLN A 66 -12.761 -9.590 5.122 1.00 0.97 O flip ATOM 1093 NE2 GLN A 66 -13.716 -11.611 4.913 1.00 1.04 N flip ATOM 0 H GLN A 66 -13.595 -9.820 0.105 1.00 0.75 H new ATOM 0 HA GLN A 66 -15.745 -11.051 1.434 1.00 0.88 H new ATOM 0 HB2 GLN A 66 -14.098 -12.230 2.573 1.00 0.83 H new ATOM 0 HB3 GLN A 66 -13.205 -11.703 1.161 1.00 0.83 H new ATOM 0 HG2 GLN A 66 -11.722 -11.207 2.867 1.00 0.81 H new ATOM 0 HG3 GLN A 66 -12.512 -9.661 2.627 1.00 0.81 H new ATOM 0 HE21 GLN A 66 -13.947 -12.422 4.340 1.00 1.04 H new ATOM 0 HE22 GLN A 66 -14.004 -11.579 5.891 1.00 1.04 H new ATOM 1102 N LEU A 67 -14.495 -8.446 3.040 1.00 0.88 N ATOM 1103 CA LEU A 67 -14.733 -7.496 4.136 1.00 1.03 C ATOM 1104 C LEU A 67 -16.214 -7.138 4.313 1.00 1.14 C ATOM 1105 O LEU A 67 -17.035 -7.398 3.435 1.00 1.17 O ATOM 1106 CB LEU A 67 -13.887 -6.240 3.920 1.00 0.95 C ATOM 1107 CG LEU A 67 -12.420 -6.393 4.331 1.00 1.23 C ATOM 1108 CD1 LEU A 67 -11.605 -5.213 3.852 1.00 1.87 C ATOM 1109 CD2 LEU A 67 -12.291 -6.538 5.838 1.00 1.86 C ATOM 0 H LEU A 67 -13.696 -8.207 2.452 1.00 0.88 H new ATOM 0 HA LEU A 67 -14.432 -7.986 5.062 1.00 1.03 H new ATOM 0 HB2 LEU A 67 -13.931 -5.963 2.867 1.00 0.95 H new ATOM 0 HB3 LEU A 67 -14.327 -5.418 4.484 1.00 0.95 H new ATOM 0 HG LEU A 67 -12.035 -7.298 3.862 1.00 1.23 H new ATOM 0 HD11 LEU A 67 -10.566 -5.342 4.155 1.00 1.87 H new ATOM 0 HD12 LEU A 67 -11.661 -5.149 2.765 1.00 1.87 H new ATOM 0 HD13 LEU A 67 -12.000 -4.296 4.290 1.00 1.87 H new ATOM 0 HD21 LEU A 67 -11.240 -6.645 6.105 1.00 1.86 H new ATOM 0 HD22 LEU A 67 -12.700 -5.653 6.325 1.00 1.86 H new ATOM 0 HD23 LEU A 67 -12.840 -7.420 6.167 1.00 1.86 H new ATOM 1121 N PRO A 68 -16.570 -6.520 5.466 1.00 1.32 N ATOM 1122 CA PRO A 68 -17.964 -6.156 5.792 1.00 1.51 C ATOM 1123 C PRO A 68 -18.553 -5.033 4.932 1.00 1.30 C ATOM 1124 O PRO A 68 -18.978 -5.265 3.800 1.00 1.48 O ATOM 1125 CB PRO A 68 -17.857 -5.719 7.254 1.00 1.82 C ATOM 1126 CG PRO A 68 -16.490 -5.153 7.335 1.00 1.71 C ATOM 1127 CD PRO A 68 -15.652 -6.118 6.559 1.00 1.46 C ATOM 0 HA PRO A 68 -18.642 -6.988 5.605 1.00 1.51 H new ATOM 0 HB2 PRO A 68 -18.616 -4.979 7.510 1.00 1.82 H new ATOM 0 HB3 PRO A 68 -17.987 -6.559 7.937 1.00 1.82 H new ATOM 0 HG2 PRO A 68 -16.447 -4.152 6.906 1.00 1.71 H new ATOM 0 HG3 PRO A 68 -16.152 -5.072 8.368 1.00 1.71 H new ATOM 0 HD2 PRO A 68 -14.743 -5.653 6.177 1.00 1.46 H new ATOM 0 HD3 PRO A 68 -15.344 -6.969 7.166 1.00 1.46 H new ATOM 1135 N LYS A 69 -18.582 -3.817 5.484 1.00 1.27 N ATOM 1136 CA LYS A 69 -19.154 -2.663 4.796 1.00 1.31 C ATOM 1137 C LYS A 69 -18.581 -2.498 3.394 1.00 1.57 C ATOM 1138 O LYS A 69 -17.434 -2.860 3.133 1.00 2.36 O ATOM 1139 CB LYS A 69 -18.928 -1.395 5.618 1.00 2.04 C ATOM 1140 CG LYS A 69 -19.220 -1.581 7.101 1.00 2.94 C ATOM 1141 CD LYS A 69 -19.618 -0.275 7.766 1.00 3.72 C ATOM 1142 CE LYS A 69 -21.081 0.051 7.514 1.00 4.17 C ATOM 1143 NZ LYS A 69 -21.455 1.382 8.068 1.00 4.86 N ATOM 0 H LYS A 69 -18.213 -3.609 6.412 1.00 1.27 H new ATOM 0 HA LYS A 69 -20.225 -2.836 4.692 1.00 1.31 H new ATOM 0 HB2 LYS A 69 -17.895 -1.070 5.496 1.00 2.04 H new ATOM 0 HB3 LYS A 69 -19.561 -0.599 5.227 1.00 2.04 H new ATOM 0 HG2 LYS A 69 -20.020 -2.311 7.225 1.00 2.94 H new ATOM 0 HG3 LYS A 69 -18.338 -1.987 7.597 1.00 2.94 H new ATOM 0 HD2 LYS A 69 -19.438 -0.341 8.839 1.00 3.72 H new ATOM 0 HD3 LYS A 69 -18.993 0.534 7.387 1.00 3.72 H new ATOM 0 HE2 LYS A 69 -21.277 0.035 6.442 1.00 4.17 H new ATOM 0 HE3 LYS A 69 -21.708 -0.719 7.964 1.00 4.17 H new ATOM 0 HZ1 LYS A 69 -22.460 1.568 7.876 1.00 4.86 H new ATOM 0 HZ2 LYS A 69 -21.292 1.389 9.095 1.00 4.86 H new ATOM 0 HZ3 LYS A 69 -20.875 2.120 7.620 1.00 4.86 H new ATOM 1157 N GLY A 70 -19.394 -1.943 2.500 1.00 1.95 N ATOM 1158 CA GLY A 70 -18.969 -1.750 1.127 1.00 2.82 C ATOM 1159 C GLY A 70 -19.048 -3.036 0.336 1.00 3.16 C ATOM 1160 O GLY A 70 -18.871 -3.047 -0.882 1.00 3.92 O ATOM 0 H GLY A 70 -20.341 -1.623 2.703 1.00 1.95 H new ATOM 0 HA2 GLY A 70 -19.594 -0.992 0.655 1.00 2.82 H new ATOM 0 HA3 GLY A 70 -17.946 -1.374 1.111 1.00 2.82 H new ATOM 1164 N SER A 71 -19.318 -4.122 1.048 1.00 3.00 N ATOM 1165 CA SER A 71 -19.426 -5.442 0.444 1.00 3.71 C ATOM 1166 C SER A 71 -20.729 -6.119 0.861 1.00 4.37 C ATOM 1167 O SER A 71 -21.753 -5.456 1.030 1.00 4.59 O ATOM 1168 CB SER A 71 -18.227 -6.294 0.857 1.00 3.83 C ATOM 1169 OG SER A 71 -17.023 -5.759 0.346 1.00 4.57 O ATOM 0 H SER A 71 -19.468 -4.112 2.057 1.00 3.00 H new ATOM 0 HA SER A 71 -19.432 -5.335 -0.641 1.00 3.71 H new ATOM 0 HB2 SER A 71 -18.172 -6.348 1.944 1.00 3.83 H new ATOM 0 HB3 SER A 71 -18.359 -7.313 0.494 1.00 3.83 H new ATOM 0 HG SER A 71 -16.383 -6.484 0.191 1.00 4.57 H new ATOM 1175 N ASP A 72 -20.687 -7.439 1.020 1.00 5.01 N ATOM 1176 CA ASP A 72 -21.866 -8.199 1.419 1.00 5.78 C ATOM 1177 C ASP A 72 -22.448 -7.656 2.723 1.00 5.88 C ATOM 1178 O ASP A 72 -21.706 -7.236 3.612 1.00 5.59 O ATOM 1179 CB ASP A 72 -21.511 -9.678 1.582 1.00 6.38 C ATOM 1180 CG ASP A 72 -21.052 -10.311 0.284 1.00 7.10 C ATOM 1181 OD1 ASP A 72 -19.871 -10.131 -0.078 1.00 7.37 O ATOM 1182 OD2 ASP A 72 -21.874 -10.987 -0.370 1.00 7.61 O ATOM 0 H ASP A 72 -19.849 -8.004 0.879 1.00 5.01 H new ATOM 0 HA ASP A 72 -22.618 -8.096 0.636 1.00 5.78 H new ATOM 0 HB2 ASP A 72 -20.725 -9.779 2.330 1.00 6.38 H new ATOM 0 HB3 ASP A 72 -22.380 -10.218 1.958 1.00 6.38 H new ATOM 1187 N PRO A 73 -23.788 -7.658 2.857 1.00 6.61 N ATOM 1188 CA PRO A 73 -24.466 -7.168 4.060 1.00 7.07 C ATOM 1189 C PRO A 73 -24.434 -8.182 5.197 1.00 7.19 C ATOM 1190 O PRO A 73 -24.241 -7.827 6.359 1.00 7.25 O ATOM 1191 CB PRO A 73 -25.889 -6.955 3.571 1.00 8.09 C ATOM 1192 CG PRO A 73 -26.062 -8.054 2.604 1.00 8.09 C ATOM 1193 CD PRO A 73 -24.761 -8.135 1.856 1.00 7.31 C ATOM 0 HA PRO A 73 -23.996 -6.275 4.472 1.00 7.07 H new ATOM 0 HB2 PRO A 73 -26.611 -7.014 4.385 1.00 8.09 H new ATOM 0 HB3 PRO A 73 -26.015 -5.979 3.103 1.00 8.09 H new ATOM 0 HG2 PRO A 73 -26.283 -8.993 3.112 1.00 8.09 H new ATOM 0 HG3 PRO A 73 -26.893 -7.855 1.927 1.00 8.09 H new ATOM 0 HD2 PRO A 73 -24.543 -9.152 1.530 1.00 7.31 H new ATOM 0 HD3 PRO A 73 -24.766 -7.509 0.964 1.00 7.31 H new ATOM 1201 N ALA A 74 -24.622 -9.449 4.844 1.00 7.47 N ATOM 1202 CA ALA A 74 -24.614 -10.525 5.824 1.00 7.78 C ATOM 1203 C ALA A 74 -23.209 -11.091 5.995 1.00 7.32 C ATOM 1204 O ALA A 74 -23.031 -12.296 6.170 1.00 7.73 O ATOM 1205 CB ALA A 74 -25.583 -11.620 5.405 1.00 8.60 C ATOM 0 H ALA A 74 -24.782 -9.755 3.884 1.00 7.47 H new ATOM 0 HA ALA A 74 -24.934 -10.121 6.784 1.00 7.78 H new ATOM 0 HB1 ALA A 74 -25.570 -12.420 6.145 1.00 8.60 H new ATOM 0 HB2 ALA A 74 -26.590 -11.208 5.335 1.00 8.60 H new ATOM 0 HB3 ALA A 74 -25.285 -12.018 4.435 1.00 8.60 H new ATOM 1211 N TYR A 75 -22.214 -10.205 5.943 1.00 6.63 N ATOM 1212 CA TYR A 75 -20.819 -10.606 6.097 1.00 6.35 C ATOM 1213 C TYR A 75 -20.646 -11.513 7.310 1.00 7.04 C ATOM 1214 O TYR A 75 -21.206 -11.254 8.376 1.00 7.28 O ATOM 1215 CB TYR A 75 -19.924 -9.367 6.221 1.00 5.72 C ATOM 1216 CG TYR A 75 -18.567 -9.641 6.835 1.00 5.15 C ATOM 1217 CD1 TYR A 75 -17.580 -10.307 6.119 1.00 4.95 C ATOM 1218 CD2 TYR A 75 -18.275 -9.234 8.131 1.00 5.10 C ATOM 1219 CE1 TYR A 75 -16.342 -10.559 6.676 1.00 4.72 C ATOM 1220 CE2 TYR A 75 -17.038 -9.482 8.696 1.00 4.93 C ATOM 1221 CZ TYR A 75 -16.076 -10.144 7.963 1.00 4.73 C ATOM 1222 OH TYR A 75 -14.843 -10.393 8.522 1.00 4.88 O ATOM 0 H TYR A 75 -22.350 -9.205 5.795 1.00 6.63 H new ATOM 0 HA TYR A 75 -20.522 -11.167 5.211 1.00 6.35 H new ATOM 0 HB2 TYR A 75 -19.782 -8.935 5.231 1.00 5.72 H new ATOM 0 HB3 TYR A 75 -20.439 -8.619 6.824 1.00 5.72 H new ATOM 0 HD1 TYR A 75 -17.785 -10.633 5.110 1.00 4.95 H new ATOM 0 HD2 TYR A 75 -19.027 -8.715 8.707 1.00 5.10 H new ATOM 0 HE1 TYR A 75 -15.586 -11.079 6.106 1.00 4.72 H new ATOM 0 HE2 TYR A 75 -16.827 -9.159 9.705 1.00 4.93 H new ATOM 0 HH TYR A 75 -14.819 -10.035 9.434 1.00 4.88 H new ATOM 1232 N GLN A 76 -19.873 -12.578 7.135 1.00 7.67 N ATOM 1233 CA GLN A 76 -19.629 -13.534 8.209 1.00 8.60 C ATOM 1234 C GLN A 76 -18.969 -12.856 9.404 1.00 9.08 C ATOM 1235 O GLN A 76 -17.801 -12.473 9.347 1.00 9.13 O ATOM 1236 CB GLN A 76 -18.758 -14.686 7.708 1.00 9.29 C ATOM 1237 CG GLN A 76 -19.445 -15.572 6.679 1.00 9.27 C ATOM 1238 CD GLN A 76 -19.664 -14.871 5.352 1.00 8.95 C ATOM 1239 OE1 GLN A 76 -20.826 -14.243 5.197 1.00 9.40 O flip ATOM 1240 NE2 GLN A 76 -18.802 -14.896 4.474 1.00 8.36 N flip ATOM 0 H GLN A 76 -19.403 -12.802 6.258 1.00 7.67 H new ATOM 0 HA GLN A 76 -20.591 -13.933 8.531 1.00 8.60 H new ATOM 0 HB2 GLN A 76 -17.847 -14.277 7.271 1.00 9.29 H new ATOM 0 HB3 GLN A 76 -18.457 -15.298 8.558 1.00 9.29 H new ATOM 0 HG2 GLN A 76 -18.844 -16.467 6.517 1.00 9.27 H new ATOM 0 HG3 GLN A 76 -20.406 -15.901 7.074 1.00 9.27 H new ATOM 0 HE21 GLN A 76 -17.924 -15.390 4.635 1.00 8.36 H new ATOM 0 HE22 GLN A 76 -18.965 -14.423 3.585 1.00 8.36 H new ATOM 1249 N LYS A 77 -19.730 -12.711 10.486 1.00 9.65 N ATOM 1250 CA LYS A 77 -19.230 -12.081 11.702 1.00 10.37 C ATOM 1251 C LYS A 77 -18.125 -12.922 12.338 1.00 11.36 C ATOM 1252 O LYS A 77 -18.110 -14.146 12.203 1.00 11.83 O ATOM 1253 CB LYS A 77 -20.380 -11.878 12.690 1.00 10.62 C ATOM 1254 CG LYS A 77 -21.100 -13.165 13.062 1.00 10.50 C ATOM 1255 CD LYS A 77 -22.581 -12.920 13.316 1.00 10.25 C ATOM 1256 CE LYS A 77 -23.255 -14.144 13.913 1.00 11.05 C ATOM 1257 NZ LYS A 77 -23.130 -15.337 13.032 1.00 11.38 N ATOM 0 H LYS A 77 -20.699 -13.023 10.544 1.00 9.65 H new ATOM 0 HA LYS A 77 -18.806 -11.111 11.442 1.00 10.37 H new ATOM 0 HB2 LYS A 77 -19.991 -11.415 13.597 1.00 10.62 H new ATOM 0 HB3 LYS A 77 -21.099 -11.181 12.259 1.00 10.62 H new ATOM 0 HG2 LYS A 77 -20.983 -13.894 12.260 1.00 10.50 H new ATOM 0 HG3 LYS A 77 -20.643 -13.595 13.953 1.00 10.50 H new ATOM 0 HD2 LYS A 77 -22.700 -12.073 13.991 1.00 10.25 H new ATOM 0 HD3 LYS A 77 -23.072 -12.653 12.380 1.00 10.25 H new ATOM 0 HE2 LYS A 77 -22.812 -14.363 14.885 1.00 11.05 H new ATOM 0 HE3 LYS A 77 -24.310 -13.929 14.084 1.00 11.05 H new ATOM 0 HZ1 LYS A 77 -23.715 -16.110 13.409 1.00 11.38 H new ATOM 0 HZ2 LYS A 77 -23.451 -15.095 12.073 1.00 11.38 H new ATOM 0 HZ3 LYS A 77 -22.136 -15.641 12.998 1.00 11.38 H new ATOM 1271 N ASP A 78 -17.199 -12.258 13.028 1.00 11.82 N ATOM 1272 CA ASP A 78 -16.087 -12.947 13.675 1.00 12.87 C ATOM 1273 C ASP A 78 -16.350 -13.154 15.164 1.00 13.60 C ATOM 1274 O ASP A 78 -16.381 -14.288 15.644 1.00 14.45 O ATOM 1275 CB ASP A 78 -14.786 -12.164 13.477 1.00 13.19 C ATOM 1276 CG ASP A 78 -14.916 -10.707 13.877 1.00 13.58 C ATOM 1277 OD1 ASP A 78 -15.410 -9.908 13.055 1.00 13.56 O ATOM 1278 OD2 ASP A 78 -14.520 -10.366 15.012 1.00 14.04 O ATOM 0 H ASP A 78 -17.198 -11.246 13.152 1.00 11.82 H new ATOM 0 HA ASP A 78 -15.989 -13.927 13.209 1.00 12.87 H new ATOM 0 HB2 ASP A 78 -13.994 -12.629 14.064 1.00 13.19 H new ATOM 0 HB3 ASP A 78 -14.485 -12.224 12.431 1.00 13.19 H new ATOM 1283 N ASP A 79 -16.539 -12.057 15.891 1.00 13.41 N ATOM 1284 CA ASP A 79 -16.792 -12.127 17.325 1.00 14.23 C ATOM 1285 C ASP A 79 -17.790 -11.060 17.762 1.00 14.38 C ATOM 1286 O ASP A 79 -18.497 -11.230 18.755 1.00 14.89 O ATOM 1287 CB ASP A 79 -15.483 -11.969 18.102 1.00 14.73 C ATOM 1288 CG ASP A 79 -14.494 -13.075 17.795 1.00 14.62 C ATOM 1289 OD1 ASP A 79 -13.690 -12.910 16.854 1.00 14.81 O ATOM 1290 OD2 ASP A 79 -14.521 -14.107 18.499 1.00 14.45 O ATOM 0 H ASP A 79 -16.522 -11.111 15.511 1.00 13.41 H new ATOM 0 HA ASP A 79 -17.222 -13.105 17.543 1.00 14.23 H new ATOM 0 HB2 ASP A 79 -15.034 -11.006 17.860 1.00 14.73 H new ATOM 0 HB3 ASP A 79 -15.696 -11.962 19.171 1.00 14.73 H new ATOM 1295 N ALA A 80 -17.839 -9.960 17.020 1.00 14.03 N ATOM 1296 CA ALA A 80 -18.754 -8.870 17.334 1.00 14.24 C ATOM 1297 C ALA A 80 -20.201 -9.284 17.085 1.00 13.87 C ATOM 1298 O ALA A 80 -21.132 -8.592 17.498 1.00 14.29 O ATOM 1299 CB ALA A 80 -18.408 -7.637 16.515 1.00 15.18 C ATOM 0 H ALA A 80 -17.257 -9.800 16.198 1.00 14.03 H new ATOM 0 HA ALA A 80 -18.647 -8.630 18.392 1.00 14.24 H new ATOM 0 HB1 ALA A 80 -19.100 -6.831 16.760 1.00 15.18 H new ATOM 0 HB2 ALA A 80 -17.390 -7.323 16.743 1.00 15.18 H new ATOM 0 HB3 ALA A 80 -18.486 -7.872 15.453 1.00 15.18 H new ATOM 1305 N VAL A 81 -20.376 -10.420 16.417 1.00 13.21 N ATOM 1306 CA VAL A 81 -21.700 -10.937 16.103 1.00 12.98 C ATOM 1307 C VAL A 81 -22.597 -9.847 15.517 1.00 12.05 C ATOM 1308 O VAL A 81 -23.491 -9.334 16.190 1.00 11.62 O ATOM 1309 CB VAL A 81 -22.362 -11.545 17.353 1.00 13.48 C ATOM 1310 CG1 VAL A 81 -23.728 -12.127 17.020 1.00 13.42 C ATOM 1311 CG2 VAL A 81 -21.463 -12.608 17.966 1.00 14.25 C ATOM 0 H VAL A 81 -19.609 -11.003 16.081 1.00 13.21 H new ATOM 0 HA VAL A 81 -21.575 -11.719 15.354 1.00 12.98 H new ATOM 0 HB VAL A 81 -22.505 -10.748 18.082 1.00 13.48 H new ATOM 0 HG11 VAL A 81 -24.173 -12.550 17.921 1.00 13.42 H new ATOM 0 HG12 VAL A 81 -24.374 -11.340 16.631 1.00 13.42 H new ATOM 0 HG13 VAL A 81 -23.617 -12.909 16.269 1.00 13.42 H new ATOM 0 HG21 VAL A 81 -21.946 -13.028 18.849 1.00 14.25 H new ATOM 0 HG22 VAL A 81 -21.287 -13.400 17.238 1.00 14.25 H new ATOM 0 HG23 VAL A 81 -20.512 -12.159 18.252 1.00 14.25 H new ATOM 1321 N LYS A 82 -22.337 -9.488 14.263 1.00 11.88 N ATOM 1322 CA LYS A 82 -23.113 -8.461 13.575 1.00 11.20 C ATOM 1323 C LYS A 82 -23.393 -8.867 12.132 1.00 11.01 C ATOM 1324 O LYS A 82 -22.516 -8.778 11.273 1.00 11.55 O ATOM 1325 CB LYS A 82 -22.371 -7.122 13.599 1.00 11.48 C ATOM 1326 CG LYS A 82 -22.073 -6.609 14.999 1.00 11.95 C ATOM 1327 CD LYS A 82 -23.350 -6.365 15.787 1.00 12.52 C ATOM 1328 CE LYS A 82 -24.149 -5.202 15.217 1.00 12.60 C ATOM 1329 NZ LYS A 82 -25.443 -5.015 15.930 1.00 12.77 N ATOM 0 H LYS A 82 -21.591 -9.896 13.700 1.00 11.88 H new ATOM 0 HA LYS A 82 -24.063 -8.352 14.099 1.00 11.20 H new ATOM 0 HB2 LYS A 82 -21.433 -7.227 13.054 1.00 11.48 H new ATOM 0 HB3 LYS A 82 -22.966 -6.378 13.069 1.00 11.48 H new ATOM 0 HG2 LYS A 82 -21.451 -7.331 15.527 1.00 11.95 H new ATOM 0 HG3 LYS A 82 -21.502 -5.683 14.934 1.00 11.95 H new ATOM 0 HD2 LYS A 82 -23.962 -7.267 15.777 1.00 12.52 H new ATOM 0 HD3 LYS A 82 -23.102 -6.160 16.828 1.00 12.52 H new ATOM 0 HE2 LYS A 82 -23.560 -4.288 15.288 1.00 12.60 H new ATOM 0 HE3 LYS A 82 -24.340 -5.377 14.158 1.00 12.60 H new ATOM 0 HZ1 LYS A 82 -25.957 -4.213 15.512 1.00 12.77 H new ATOM 0 HZ2 LYS A 82 -26.016 -5.878 15.841 1.00 12.77 H new ATOM 0 HZ3 LYS A 82 -25.261 -4.823 16.936 1.00 12.77 H new ATOM 1343 N LYS A 83 -24.618 -9.314 11.873 1.00 10.44 N ATOM 1344 CA LYS A 83 -25.010 -9.735 10.533 1.00 10.47 C ATOM 1345 C LYS A 83 -26.079 -8.809 9.957 1.00 10.46 C ATOM 1346 O LYS A 83 -27.267 -8.987 10.299 1.00 10.61 O ATOM 1347 CB LYS A 83 -25.513 -11.182 10.555 1.00 10.70 C ATOM 1348 CG LYS A 83 -26.520 -11.464 11.660 1.00 10.51 C ATOM 1349 CD LYS A 83 -26.873 -12.944 11.739 1.00 11.29 C ATOM 1350 CE LYS A 83 -27.826 -13.363 10.627 1.00 11.14 C ATOM 1351 NZ LYS A 83 -27.156 -13.404 9.298 1.00 11.08 N ATOM 1352 OXT LYS A 83 -25.719 -7.912 9.166 1.00 10.53 O ATOM 0 H LYS A 83 -25.356 -9.394 12.573 1.00 10.44 H new ATOM 0 HA LYS A 83 -24.132 -9.678 9.890 1.00 10.47 H new ATOM 0 HB2 LYS A 83 -25.969 -11.413 9.592 1.00 10.70 H new ATOM 0 HB3 LYS A 83 -24.661 -11.852 10.673 1.00 10.70 H new ATOM 0 HG2 LYS A 83 -26.112 -11.136 12.616 1.00 10.51 H new ATOM 0 HG3 LYS A 83 -27.425 -10.883 11.484 1.00 10.51 H new ATOM 0 HD2 LYS A 83 -25.961 -13.538 11.678 1.00 11.29 H new ATOM 0 HD3 LYS A 83 -27.328 -13.157 12.706 1.00 11.29 H new ATOM 0 HE2 LYS A 83 -28.238 -14.346 10.855 1.00 11.14 H new ATOM 0 HE3 LYS A 83 -28.664 -12.668 10.588 1.00 11.14 H new ATOM 0 HZ1 LYS A 83 -27.479 -14.241 8.772 1.00 11.08 H new ATOM 0 HZ2 LYS A 83 -27.395 -12.545 8.762 1.00 11.08 H new ATOM 0 HZ3 LYS A 83 -26.126 -13.454 9.430 1.00 11.08 H new TER 1366 LYS A 83