USER MOD reduce.3.24.130724 H: found=0, std=0, add=800, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 801 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 71 ASN : amide:sc= -8.07! C(o=-7.7!,f=-11!) USER MOD Set 1.2: A 90 SER OG : rot 75:sc= 0.358 USER MOD Set 2.1: A 78 LYS NZ :NH3+ -164:sc= 0.252 (180deg=0) USER MOD Set 2.2: A 86 THR OG1 : rot -98:sc= -1.97 USER MOD Set 3.1: A 19 ASN :FLIP amide:sc= -0.142 F(o=-3.8,f=-0.064) USER MOD Set 3.2: A 57 LYS NZ :NH3+ -167:sc= 0.0785 (180deg=0) USER MOD Set 4.1: A 33 ASN : amide:sc= -1 X(o=-0.87,f=-1.1) USER MOD Set 4.2: A 36 LYS NZ :NH3+ -178:sc= 0.134 (180deg=0) USER MOD Set 5.1: A 35 SER OG : rot -149:sc= 1.38 USER MOD Set 5.2: A 38 ASN :FLIP amide:sc= -1.88! F(o=-2.5,f=-0.51!) USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 THR OG1 : rot 180:sc= -2.03 USER MOD Single : A 21 SER OG : rot -179:sc= -3.89! USER MOD Single : A 23 SER OG : rot 180:sc= -0.282 USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 31 LYS NZ :NH3+ 145:sc= -0.354 (180deg=-0.685) USER MOD Single : A 39 HIS : no HD1:sc= -0.401 X(o=-0.4,f=-0.13) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 51 ASN :FLIP amide:sc= -0.0304 F(o=-0.92!,f=-0.03) USER MOD Single : A 56 SER OG : rot -160:sc= -0.479 USER MOD Single : A 64 ASN : amide:sc= -0.0147 X(o=-0.015,f=0) USER MOD Single : A 66 GLN : amide:sc= -3.15 K(o=-3.1,f=-4.5!) USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 80 ASN : amide:sc= -2.1 K(o=-2.1,f=-2.8) USER MOD Single : A 81 GLN :FLIP amide:sc= -2.03! C(o=-5.7!,f=-2!) USER MOD Single : A 84 MET CE :methyl 164:sc= -5.78! (180deg=-6.18!) USER MOD Single : A 91 MET CE :methyl -130:sc= -6.97! (180deg=-12.2!) USER MOD Single : A 92 SER OG : rot 74:sc= 1.22 USER MOD Single : A 93 THR OG1 : rot -63:sc= 0.151 USER MOD Single : A 96 ASN :FLIP amide:sc= -4.62! C(o=-6.9!,f=-4.6!) USER MOD Single : A 97 LYS NZ :NH3+ -132:sc= -0.0133 (180deg=-0.888) USER MOD Single : A 100 MET CE :methyl -161:sc= -5.72 (180deg=-8.26!) USER MOD Single : A 102 GLN : amide:sc= -3.83! C(o=-3.8!,f=-10!) USER MOD Single : A 110 SER OG : rot -20:sc= 1.92 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 7 -3.824 -10.004 -15.765 1.00 0.00 N ATOM 2 CA GLY A 7 -4.973 -10.869 -15.569 1.00 0.00 C ATOM 3 C GLY A 7 -5.477 -10.847 -14.139 1.00 0.00 C ATOM 4 O GLY A 7 -6.671 -11.019 -13.893 1.00 0.00 O ATOM 0 HA2 GLY A 7 -5.775 -10.560 -16.239 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -4.706 -11.890 -15.841 1.00 0.00 H new ATOM 8 N THR A 8 -4.567 -10.634 -13.194 1.00 0.00 N ATOM 9 CA THR A 8 -4.928 -10.589 -11.784 1.00 0.00 C ATOM 10 C THR A 8 -3.901 -9.800 -10.978 1.00 0.00 C ATOM 11 O THR A 8 -3.543 -10.183 -9.864 1.00 0.00 O ATOM 12 CB THR A 8 -5.059 -12.003 -11.224 1.00 0.00 C ATOM 13 OG1 THR A 8 -3.875 -12.747 -11.455 1.00 0.00 O ATOM 14 CG2 THR A 8 -6.214 -12.779 -11.821 1.00 0.00 C ATOM 0 H THR A 8 -3.575 -10.490 -13.380 1.00 0.00 H new ATOM 0 HA THR A 8 -5.890 -10.083 -11.700 1.00 0.00 H new ATOM 0 HB THR A 8 -5.242 -11.875 -10.157 1.00 0.00 H new ATOM 0 HG1 THR A 8 -3.979 -13.649 -11.087 1.00 0.00 H new ATOM 0 HG21 THR A 8 -6.250 -13.775 -11.380 1.00 0.00 H new ATOM 0 HG22 THR A 8 -7.148 -12.257 -11.615 1.00 0.00 H new ATOM 0 HG23 THR A 8 -6.076 -12.865 -12.899 1.00 0.00 H new ATOM 22 N ARG A 9 -3.430 -8.696 -11.550 1.00 0.00 N ATOM 23 CA ARG A 9 -2.444 -7.847 -10.886 1.00 0.00 C ATOM 24 C ARG A 9 -2.031 -6.691 -11.793 1.00 0.00 C ATOM 25 O ARG A 9 -1.423 -6.902 -12.842 1.00 0.00 O ATOM 26 CB ARG A 9 -1.213 -8.669 -10.492 1.00 0.00 C ATOM 27 CG ARG A 9 -1.126 -8.955 -9.002 1.00 0.00 C ATOM 28 CD ARG A 9 0.316 -8.985 -8.523 1.00 0.00 C ATOM 29 NE ARG A 9 0.410 -9.013 -7.066 1.00 0.00 N ATOM 30 CZ ARG A 9 1.538 -8.797 -6.391 1.00 0.00 C ATOM 31 NH1 ARG A 9 2.666 -8.538 -7.038 1.00 0.00 N ATOM 32 NH2 ARG A 9 1.535 -8.842 -5.066 1.00 0.00 N ATOM 0 H ARG A 9 -3.715 -8.367 -12.473 1.00 0.00 H new ATOM 0 HA ARG A 9 -2.899 -7.436 -9.984 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -1.228 -9.614 -11.035 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -0.315 -8.136 -10.805 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -1.677 -8.193 -8.452 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -1.602 -9.911 -8.786 1.00 0.00 H new ATOM 0 HD2 ARG A 9 0.816 -9.861 -8.935 1.00 0.00 H new ATOM 0 HD3 ARG A 9 0.842 -8.109 -8.903 1.00 0.00 H new ATOM 0 HE ARG A 9 -0.438 -9.209 -6.534 1.00 0.00 H new ATOM 0 HH11 ARG A 9 2.673 -8.503 -8.057 1.00 0.00 H new ATOM 0 HH12 ARG A 9 3.527 -8.373 -6.516 1.00 0.00 H new ATOM 0 HH21 ARG A 9 0.670 -9.042 -4.564 1.00 0.00 H new ATOM 0 HH22 ARG A 9 2.398 -8.677 -4.548 1.00 0.00 H new ATOM 46 N GLU A 10 -2.365 -5.469 -11.387 1.00 0.00 N ATOM 47 CA GLU A 10 -2.024 -4.288 -12.171 1.00 0.00 C ATOM 48 C GLU A 10 -1.233 -3.284 -11.337 1.00 0.00 C ATOM 49 O GLU A 10 -1.702 -2.817 -10.299 1.00 0.00 O ATOM 50 CB GLU A 10 -3.293 -3.629 -12.715 1.00 0.00 C ATOM 51 CG GLU A 10 -4.337 -3.345 -11.649 1.00 0.00 C ATOM 52 CD GLU A 10 -5.496 -2.518 -12.172 1.00 0.00 C ATOM 53 OE1 GLU A 10 -6.015 -2.847 -13.259 1.00 0.00 O ATOM 54 OE2 GLU A 10 -5.883 -1.543 -11.496 1.00 0.00 O ATOM 0 H GLU A 10 -2.870 -5.272 -10.523 1.00 0.00 H new ATOM 0 HA GLU A 10 -1.400 -4.607 -13.006 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -3.024 -2.694 -13.207 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -3.730 -4.275 -13.476 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -4.717 -4.289 -11.257 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -3.868 -2.820 -10.817 1.00 0.00 H new ATOM 61 N PHE A 11 -0.034 -2.951 -11.804 1.00 0.00 N ATOM 62 CA PHE A 11 0.821 -1.996 -11.107 1.00 0.00 C ATOM 63 C PHE A 11 0.424 -0.565 -11.455 1.00 0.00 C ATOM 64 O PHE A 11 0.048 -0.277 -12.591 1.00 0.00 O ATOM 65 CB PHE A 11 2.287 -2.234 -11.467 1.00 0.00 C ATOM 66 CG PHE A 11 2.735 -3.653 -11.259 1.00 0.00 C ATOM 67 CD1 PHE A 11 2.614 -4.257 -10.018 1.00 0.00 C ATOM 68 CD2 PHE A 11 3.280 -4.382 -12.305 1.00 0.00 C ATOM 69 CE1 PHE A 11 3.026 -5.561 -9.823 1.00 0.00 C ATOM 70 CE2 PHE A 11 3.692 -5.687 -12.116 1.00 0.00 C ATOM 71 CZ PHE A 11 3.565 -6.278 -10.875 1.00 0.00 C ATOM 0 H PHE A 11 0.368 -3.328 -12.662 1.00 0.00 H new ATOM 0 HA PHE A 11 0.692 -2.142 -10.034 1.00 0.00 H new ATOM 0 HB2 PHE A 11 2.445 -1.961 -12.510 1.00 0.00 H new ATOM 0 HB3 PHE A 11 2.912 -1.573 -10.867 1.00 0.00 H new ATOM 0 HD1 PHE A 11 2.193 -3.702 -9.193 1.00 0.00 H new ATOM 0 HD2 PHE A 11 3.384 -3.925 -13.278 1.00 0.00 H new ATOM 0 HE1 PHE A 11 2.927 -6.020 -8.850 1.00 0.00 H new ATOM 0 HE2 PHE A 11 4.113 -6.245 -12.939 1.00 0.00 H new ATOM 0 HZ PHE A 11 3.886 -7.298 -10.726 1.00 0.00 H new ATOM 81 N LEU A 12 0.501 0.327 -10.472 1.00 0.00 N ATOM 82 CA LEU A 12 0.139 1.723 -10.688 1.00 0.00 C ATOM 83 C LEU A 12 1.105 2.667 -9.978 1.00 0.00 C ATOM 84 O LEU A 12 1.565 2.389 -8.872 1.00 0.00 O ATOM 85 CB LEU A 12 -1.288 1.982 -10.201 1.00 0.00 C ATOM 86 CG LEU A 12 -2.294 0.878 -10.531 1.00 0.00 C ATOM 87 CD1 LEU A 12 -3.449 0.898 -9.542 1.00 0.00 C ATOM 88 CD2 LEU A 12 -2.805 1.031 -11.954 1.00 0.00 C ATOM 0 H LEU A 12 0.809 0.110 -9.524 1.00 0.00 H new ATOM 0 HA LEU A 12 0.198 1.918 -11.759 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -1.267 2.123 -9.120 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -1.641 2.917 -10.637 1.00 0.00 H new ATOM 0 HG LEU A 12 -1.789 -0.085 -10.450 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -4.155 0.106 -9.791 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -3.067 0.739 -8.533 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -3.953 1.863 -9.591 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -3.520 0.237 -12.171 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -3.294 1.999 -12.063 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -1.968 0.967 -12.650 1.00 0.00 H new ATOM 100 N THR A 13 1.395 3.793 -10.625 1.00 0.00 N ATOM 101 CA THR A 13 2.294 4.795 -10.063 1.00 0.00 C ATOM 102 C THR A 13 1.528 6.077 -9.757 1.00 0.00 C ATOM 103 O THR A 13 0.669 6.491 -10.534 1.00 0.00 O ATOM 104 CB THR A 13 3.435 5.095 -11.035 1.00 0.00 C ATOM 105 OG1 THR A 13 4.008 3.896 -11.525 1.00 0.00 O ATOM 106 CG2 THR A 13 4.546 5.916 -10.414 1.00 0.00 C ATOM 0 H THR A 13 1.019 4.034 -11.542 1.00 0.00 H new ATOM 0 HA THR A 13 2.714 4.400 -9.138 1.00 0.00 H new ATOM 0 HB THR A 13 2.983 5.672 -11.842 1.00 0.00 H new ATOM 0 HG1 THR A 13 4.735 4.111 -12.146 1.00 0.00 H new ATOM 0 HG21 THR A 13 5.325 6.094 -11.156 1.00 0.00 H new ATOM 0 HG22 THR A 13 4.146 6.870 -10.072 1.00 0.00 H new ATOM 0 HG23 THR A 13 4.968 5.375 -9.567 1.00 0.00 H new ATOM 114 N PHE A 14 1.829 6.698 -8.619 1.00 0.00 N ATOM 115 CA PHE A 14 1.139 7.923 -8.232 1.00 0.00 C ATOM 116 C PHE A 14 2.091 8.952 -7.625 1.00 0.00 C ATOM 117 O PHE A 14 3.039 8.605 -6.921 1.00 0.00 O ATOM 118 CB PHE A 14 0.025 7.606 -7.233 1.00 0.00 C ATOM 119 CG PHE A 14 -0.800 6.407 -7.608 1.00 0.00 C ATOM 120 CD1 PHE A 14 -1.449 6.353 -8.830 1.00 0.00 C ATOM 121 CD2 PHE A 14 -0.929 5.339 -6.736 1.00 0.00 C ATOM 122 CE1 PHE A 14 -2.211 5.253 -9.176 1.00 0.00 C ATOM 123 CE2 PHE A 14 -1.692 4.238 -7.076 1.00 0.00 C ATOM 124 CZ PHE A 14 -2.333 4.195 -8.298 1.00 0.00 C ATOM 0 H PHE A 14 2.536 6.378 -7.958 1.00 0.00 H new ATOM 0 HA PHE A 14 0.714 8.354 -9.138 1.00 0.00 H new ATOM 0 HB2 PHE A 14 0.467 7.439 -6.251 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -0.630 8.473 -7.145 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -1.359 7.179 -9.520 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -0.428 5.367 -5.780 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -2.711 5.221 -10.133 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -1.787 3.412 -6.387 1.00 0.00 H new ATOM 0 HZ PHE A 14 -2.929 3.335 -8.566 1.00 0.00 H new ATOM 134 N GLU A 15 1.808 10.225 -7.891 1.00 0.00 N ATOM 135 CA GLU A 15 2.606 11.328 -7.367 1.00 0.00 C ATOM 136 C GLU A 15 1.842 12.022 -6.244 1.00 0.00 C ATOM 137 O GLU A 15 0.867 12.731 -6.492 1.00 0.00 O ATOM 138 CB GLU A 15 2.929 12.329 -8.478 1.00 0.00 C ATOM 139 CG GLU A 15 3.920 11.801 -9.503 1.00 0.00 C ATOM 140 CD GLU A 15 3.263 11.458 -10.827 1.00 0.00 C ATOM 141 OE1 GLU A 15 2.077 11.070 -10.817 1.00 0.00 O ATOM 142 OE2 GLU A 15 3.936 11.581 -11.872 1.00 0.00 O ATOM 0 H GLU A 15 1.023 10.519 -8.473 1.00 0.00 H new ATOM 0 HA GLU A 15 3.543 10.932 -6.976 1.00 0.00 H new ATOM 0 HB2 GLU A 15 2.005 12.605 -8.987 1.00 0.00 H new ATOM 0 HB3 GLU A 15 3.331 13.238 -8.031 1.00 0.00 H new ATOM 0 HG2 GLU A 15 4.697 12.547 -9.670 1.00 0.00 H new ATOM 0 HG3 GLU A 15 4.411 10.913 -9.104 1.00 0.00 H new ATOM 149 N VAL A 16 2.277 11.799 -5.009 1.00 0.00 N ATOM 150 CA VAL A 16 1.616 12.386 -3.851 1.00 0.00 C ATOM 151 C VAL A 16 2.371 13.610 -3.328 1.00 0.00 C ATOM 152 O VAL A 16 3.437 13.477 -2.729 1.00 0.00 O ATOM 153 CB VAL A 16 1.475 11.356 -2.718 1.00 0.00 C ATOM 154 CG1 VAL A 16 0.626 11.922 -1.595 1.00 0.00 C ATOM 155 CG2 VAL A 16 0.879 10.061 -3.248 1.00 0.00 C ATOM 0 H VAL A 16 3.084 11.216 -4.785 1.00 0.00 H new ATOM 0 HA VAL A 16 0.626 12.702 -4.179 1.00 0.00 H new ATOM 0 HB VAL A 16 2.466 11.135 -2.320 1.00 0.00 H new ATOM 0 HG11 VAL A 16 0.535 11.182 -0.800 1.00 0.00 H new ATOM 0 HG12 VAL A 16 1.097 12.822 -1.201 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -0.365 12.169 -1.977 1.00 0.00 H new ATOM 0 HG21 VAL A 16 0.786 9.343 -2.433 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -0.106 10.260 -3.670 1.00 0.00 H new ATOM 0 HG23 VAL A 16 1.529 9.651 -4.021 1.00 0.00 H new ATOM 165 N PRO A 17 1.826 14.824 -3.552 1.00 0.00 N ATOM 166 CA PRO A 17 2.449 16.072 -3.110 1.00 0.00 C ATOM 167 C PRO A 17 2.182 16.389 -1.640 1.00 0.00 C ATOM 168 O PRO A 17 1.153 16.975 -1.306 1.00 0.00 O ATOM 169 CB PRO A 17 1.798 17.143 -4.006 1.00 0.00 C ATOM 170 CG PRO A 17 0.833 16.420 -4.896 1.00 0.00 C ATOM 171 CD PRO A 17 0.572 15.087 -4.261 1.00 0.00 C ATOM 0 HA PRO A 17 3.535 16.019 -3.194 1.00 0.00 H new ATOM 0 HB2 PRO A 17 1.284 17.893 -3.404 1.00 0.00 H new ATOM 0 HB3 PRO A 17 2.551 17.667 -4.594 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -0.093 16.985 -5.002 1.00 0.00 H new ATOM 0 HG3 PRO A 17 1.248 16.297 -5.896 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -0.279 15.121 -3.581 1.00 0.00 H new ATOM 0 HD3 PRO A 17 0.357 14.319 -5.004 1.00 0.00 H new ATOM 179 N LEU A 18 3.125 16.028 -0.766 1.00 0.00 N ATOM 180 CA LEU A 18 2.987 16.301 0.666 1.00 0.00 C ATOM 181 C LEU A 18 3.515 17.684 1.008 1.00 0.00 C ATOM 182 O LEU A 18 3.926 17.948 2.138 1.00 0.00 O ATOM 183 CB LEU A 18 3.728 15.258 1.490 1.00 0.00 C ATOM 184 CG LEU A 18 5.244 15.342 1.389 1.00 0.00 C ATOM 185 CD1 LEU A 18 5.830 15.996 2.635 1.00 0.00 C ATOM 186 CD2 LEU A 18 5.836 13.957 1.178 1.00 0.00 C ATOM 0 H LEU A 18 3.988 15.549 -1.023 1.00 0.00 H new ATOM 0 HA LEU A 18 1.925 16.257 0.908 1.00 0.00 H new ATOM 0 HB2 LEU A 18 3.439 15.365 2.535 1.00 0.00 H new ATOM 0 HB3 LEU A 18 3.409 14.266 1.171 1.00 0.00 H new ATOM 0 HG LEU A 18 5.501 15.961 0.530 1.00 0.00 H new ATOM 0 HD11 LEU A 18 6.915 16.047 2.543 1.00 0.00 H new ATOM 0 HD12 LEU A 18 5.427 17.003 2.741 1.00 0.00 H new ATOM 0 HD13 LEU A 18 5.567 15.406 3.513 1.00 0.00 H new ATOM 0 HD21 LEU A 18 6.921 14.032 1.107 1.00 0.00 H new ATOM 0 HD22 LEU A 18 5.570 13.316 2.019 1.00 0.00 H new ATOM 0 HD23 LEU A 18 5.441 13.529 0.256 1.00 0.00 H new ATOM 198 N ASN A 19 3.491 18.558 0.018 1.00 0.00 N ATOM 199 CA ASN A 19 3.953 19.932 0.161 1.00 0.00 C ATOM 200 C ASN A 19 3.548 20.543 1.505 1.00 0.00 C ATOM 201 O ASN A 19 4.225 21.437 2.015 1.00 0.00 O ATOM 202 CB ASN A 19 3.393 20.769 -0.990 1.00 0.00 C ATOM 203 CG ASN A 19 1.928 21.143 -0.797 1.00 0.00 C ATOM 204 OD1 ASN A 19 1.098 20.169 -0.418 1.00 0.00 O flip ATOM 205 ND2 ASN A 19 1.545 22.297 -0.988 1.00 0.00 N flip ATOM 0 H ASN A 19 3.148 18.335 -0.916 1.00 0.00 H new ATOM 0 HA ASN A 19 5.043 19.928 0.130 1.00 0.00 H new ATOM 0 HB2 ASN A 19 3.984 21.679 -1.091 1.00 0.00 H new ATOM 0 HB3 ASN A 19 3.501 20.214 -1.922 1.00 0.00 H new ATOM 0 HD21 ASN A 19 2.210 23.014 -1.277 1.00 0.00 H new ATOM 0 HD22 ASN A 19 0.562 22.536 -0.857 1.00 0.00 H new ATOM 212 N ASP A 20 2.443 20.065 2.073 1.00 0.00 N ATOM 213 CA ASP A 20 1.967 20.584 3.352 1.00 0.00 C ATOM 214 C ASP A 20 1.297 19.497 4.190 1.00 0.00 C ATOM 215 O ASP A 20 0.559 19.799 5.127 1.00 0.00 O ATOM 216 CB ASP A 20 0.988 21.736 3.121 1.00 0.00 C ATOM 217 CG ASP A 20 0.621 22.449 4.406 1.00 0.00 C ATOM 218 OD1 ASP A 20 1.502 23.119 4.986 1.00 0.00 O ATOM 219 OD2 ASP A 20 -0.547 22.338 4.835 1.00 0.00 O ATOM 0 H ASP A 20 1.865 19.326 1.672 1.00 0.00 H new ATOM 0 HA ASP A 20 2.835 20.946 3.903 1.00 0.00 H new ATOM 0 HB2 ASP A 20 1.429 22.450 2.426 1.00 0.00 H new ATOM 0 HB3 ASP A 20 0.083 21.351 2.651 1.00 0.00 H new ATOM 224 N SER A 21 1.557 18.234 3.861 1.00 0.00 N ATOM 225 CA SER A 21 0.973 17.125 4.604 1.00 0.00 C ATOM 226 C SER A 21 2.042 16.366 5.389 1.00 0.00 C ATOM 227 O SER A 21 1.724 15.553 6.257 1.00 0.00 O ATOM 228 CB SER A 21 0.244 16.172 3.656 1.00 0.00 C ATOM 229 OG SER A 21 1.150 15.536 2.776 1.00 0.00 O ATOM 0 H SER A 21 2.164 17.956 3.090 1.00 0.00 H new ATOM 0 HA SER A 21 0.255 17.538 5.313 1.00 0.00 H new ATOM 0 HB2 SER A 21 -0.294 15.421 4.234 1.00 0.00 H new ATOM 0 HB3 SER A 21 -0.499 16.724 3.081 1.00 0.00 H new ATOM 0 HG SER A 21 0.657 14.943 2.171 1.00 0.00 H new ATOM 235 N GLY A 22 3.310 16.641 5.087 1.00 0.00 N ATOM 236 CA GLY A 22 4.400 15.977 5.781 1.00 0.00 C ATOM 237 C GLY A 22 4.265 16.063 7.290 1.00 0.00 C ATOM 238 O GLY A 22 4.771 15.206 8.015 1.00 0.00 O ATOM 0 H GLY A 22 3.601 17.311 4.375 1.00 0.00 H new ATOM 0 HA2 GLY A 22 4.433 14.930 5.481 1.00 0.00 H new ATOM 0 HA3 GLY A 22 5.346 16.425 5.478 1.00 0.00 H new ATOM 242 N SER A 23 3.575 17.098 7.764 1.00 0.00 N ATOM 243 CA SER A 23 3.370 17.289 9.196 1.00 0.00 C ATOM 244 C SER A 23 2.719 16.055 9.813 1.00 0.00 C ATOM 245 O SER A 23 3.155 15.562 10.852 1.00 0.00 O ATOM 246 CB SER A 23 2.499 18.522 9.449 1.00 0.00 C ATOM 247 OG SER A 23 1.124 18.217 9.299 1.00 0.00 O ATOM 0 H SER A 23 3.149 17.816 7.178 1.00 0.00 H new ATOM 0 HA SER A 23 4.342 17.442 9.664 1.00 0.00 H new ATOM 0 HB2 SER A 23 2.683 18.900 10.455 1.00 0.00 H new ATOM 0 HB3 SER A 23 2.776 19.315 8.755 1.00 0.00 H new ATOM 0 HG SER A 23 0.590 19.021 9.468 1.00 0.00 H new ATOM 253 N ALA A 24 1.679 15.556 9.154 1.00 0.00 N ATOM 254 CA ALA A 24 0.971 14.373 9.623 1.00 0.00 C ATOM 255 C ALA A 24 1.572 13.111 9.016 1.00 0.00 C ATOM 256 O ALA A 24 1.548 12.042 9.625 1.00 0.00 O ATOM 257 CB ALA A 24 -0.509 14.473 9.287 1.00 0.00 C ATOM 0 H ALA A 24 1.308 15.954 8.291 1.00 0.00 H new ATOM 0 HA ALA A 24 1.077 14.315 10.706 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -1.024 13.581 9.644 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -0.933 15.354 9.769 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -0.632 14.555 8.207 1.00 0.00 H new ATOM 263 N GLY A 25 2.117 13.247 7.810 1.00 0.00 N ATOM 264 CA GLY A 25 2.724 12.117 7.133 1.00 0.00 C ATOM 265 C GLY A 25 2.060 11.802 5.809 1.00 0.00 C ATOM 266 O GLY A 25 1.598 10.682 5.589 1.00 0.00 O ATOM 0 H GLY A 25 2.148 14.123 7.289 1.00 0.00 H new ATOM 0 HA2 GLY A 25 3.781 12.325 6.964 1.00 0.00 H new ATOM 0 HA3 GLY A 25 2.671 11.241 7.779 1.00 0.00 H new ATOM 270 N LEU A 26 2.020 12.793 4.923 1.00 0.00 N ATOM 271 CA LEU A 26 1.420 12.633 3.599 1.00 0.00 C ATOM 272 C LEU A 26 -0.105 12.658 3.654 1.00 0.00 C ATOM 273 O LEU A 26 -0.743 13.453 2.963 1.00 0.00 O ATOM 274 CB LEU A 26 1.888 11.331 2.947 1.00 0.00 C ATOM 275 CG LEU A 26 1.637 11.242 1.441 1.00 0.00 C ATOM 276 CD1 LEU A 26 2.493 12.252 0.702 1.00 0.00 C ATOM 277 CD2 LEU A 26 1.918 9.839 0.936 1.00 0.00 C ATOM 0 H LEU A 26 2.399 13.723 5.099 1.00 0.00 H new ATOM 0 HA LEU A 26 1.750 13.480 2.998 1.00 0.00 H new ATOM 0 HB2 LEU A 26 2.956 11.212 3.131 1.00 0.00 H new ATOM 0 HB3 LEU A 26 1.386 10.496 3.435 1.00 0.00 H new ATOM 0 HG LEU A 26 0.588 11.472 1.252 1.00 0.00 H new ATOM 0 HD11 LEU A 26 2.303 12.176 -0.369 1.00 0.00 H new ATOM 0 HD12 LEU A 26 2.247 13.257 1.044 1.00 0.00 H new ATOM 0 HD13 LEU A 26 3.546 12.050 0.899 1.00 0.00 H new ATOM 0 HD21 LEU A 26 1.734 9.795 -0.137 1.00 0.00 H new ATOM 0 HD22 LEU A 26 2.958 9.582 1.137 1.00 0.00 H new ATOM 0 HD23 LEU A 26 1.264 9.131 1.446 1.00 0.00 H new ATOM 289 N GLY A 27 -0.689 11.775 4.459 1.00 0.00 N ATOM 290 CA GLY A 27 -2.129 11.712 4.560 1.00 0.00 C ATOM 291 C GLY A 27 -2.655 10.342 4.192 1.00 0.00 C ATOM 292 O GLY A 27 -3.585 10.218 3.397 1.00 0.00 O ATOM 0 H GLY A 27 -0.188 11.104 5.041 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -2.434 11.958 5.577 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -2.573 12.461 3.904 1.00 0.00 H new ATOM 296 N VAL A 28 -2.059 9.308 4.781 1.00 0.00 N ATOM 297 CA VAL A 28 -2.467 7.930 4.524 1.00 0.00 C ATOM 298 C VAL A 28 -1.815 6.974 5.518 1.00 0.00 C ATOM 299 O VAL A 28 -0.794 7.293 6.127 1.00 0.00 O ATOM 300 CB VAL A 28 -2.109 7.474 3.089 1.00 0.00 C ATOM 301 CG1 VAL A 28 -3.341 7.489 2.195 1.00 0.00 C ATOM 302 CG2 VAL A 28 -1.002 8.336 2.498 1.00 0.00 C ATOM 0 H VAL A 28 -1.288 9.400 5.443 1.00 0.00 H new ATOM 0 HA VAL A 28 -3.551 7.904 4.639 1.00 0.00 H new ATOM 0 HB VAL A 28 -1.740 6.450 3.146 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -3.066 7.165 1.191 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -4.094 6.813 2.601 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -3.747 8.500 2.152 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -0.772 7.992 1.490 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -1.330 9.375 2.461 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -0.110 8.259 3.120 1.00 0.00 H new ATOM 312 N SER A 29 -2.411 5.794 5.670 1.00 0.00 N ATOM 313 CA SER A 29 -1.889 4.783 6.583 1.00 0.00 C ATOM 314 C SER A 29 -1.928 3.407 5.928 1.00 0.00 C ATOM 315 O SER A 29 -2.819 3.118 5.130 1.00 0.00 O ATOM 316 CB SER A 29 -2.697 4.768 7.882 1.00 0.00 C ATOM 317 OG SER A 29 -2.817 6.074 8.424 1.00 0.00 O ATOM 0 H SER A 29 -3.256 5.515 5.172 1.00 0.00 H new ATOM 0 HA SER A 29 -0.854 5.032 6.817 1.00 0.00 H new ATOM 0 HB2 SER A 29 -3.689 4.357 7.692 1.00 0.00 H new ATOM 0 HB3 SER A 29 -2.214 4.113 8.607 1.00 0.00 H new ATOM 0 HG SER A 29 -3.339 6.038 9.253 1.00 0.00 H new ATOM 323 N VAL A 30 -0.959 2.562 6.265 1.00 0.00 N ATOM 324 CA VAL A 30 -0.891 1.219 5.700 1.00 0.00 C ATOM 325 C VAL A 30 -0.482 0.193 6.748 1.00 0.00 C ATOM 326 O VAL A 30 0.295 0.491 7.654 1.00 0.00 O ATOM 327 CB VAL A 30 0.103 1.152 4.525 1.00 0.00 C ATOM 328 CG1 VAL A 30 -0.402 1.965 3.344 1.00 0.00 C ATOM 329 CG2 VAL A 30 1.479 1.628 4.965 1.00 0.00 C ATOM 0 H VAL A 30 -0.212 2.782 6.924 1.00 0.00 H new ATOM 0 HA VAL A 30 -1.892 0.984 5.339 1.00 0.00 H new ATOM 0 HB VAL A 30 0.188 0.114 4.204 1.00 0.00 H new ATOM 0 HG11 VAL A 30 0.316 1.903 2.526 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -1.363 1.570 3.014 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -0.522 3.006 3.644 1.00 0.00 H new ATOM 0 HG21 VAL A 30 2.169 1.574 4.123 1.00 0.00 H new ATOM 0 HG22 VAL A 30 1.413 2.658 5.315 1.00 0.00 H new ATOM 0 HG23 VAL A 30 1.842 0.993 5.773 1.00 0.00 H new ATOM 339 N LYS A 31 -1.005 -1.022 6.610 1.00 0.00 N ATOM 340 CA LYS A 31 -0.691 -2.100 7.537 1.00 0.00 C ATOM 341 C LYS A 31 -0.012 -3.255 6.808 1.00 0.00 C ATOM 342 O LYS A 31 -0.204 -3.438 5.605 1.00 0.00 O ATOM 343 CB LYS A 31 -1.958 -2.577 8.253 1.00 0.00 C ATOM 344 CG LYS A 31 -3.103 -2.902 7.314 1.00 0.00 C ATOM 345 CD LYS A 31 -2.759 -4.083 6.431 1.00 0.00 C ATOM 346 CE LYS A 31 -3.976 -4.952 6.161 1.00 0.00 C ATOM 347 NZ LYS A 31 -4.993 -4.246 5.334 1.00 0.00 N ATOM 0 H LYS A 31 -1.649 -1.283 5.863 1.00 0.00 H new ATOM 0 HA LYS A 31 0.002 -1.719 8.287 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -1.720 -3.463 8.842 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -2.281 -1.806 8.953 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -4.000 -3.124 7.892 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -3.329 -2.034 6.695 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -2.350 -3.725 5.486 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -1.983 -4.681 6.908 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -3.664 -5.864 5.652 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -4.424 -5.253 7.108 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -5.458 -4.927 4.700 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -5.704 -3.810 5.955 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -4.528 -3.508 4.768 1.00 0.00 H new ATOM 361 N GLY A 32 0.786 -4.027 7.536 1.00 0.00 N ATOM 362 CA GLY A 32 1.485 -5.147 6.934 1.00 0.00 C ATOM 363 C GLY A 32 0.877 -6.482 7.309 1.00 0.00 C ATOM 364 O GLY A 32 0.436 -6.675 8.442 1.00 0.00 O ATOM 0 H GLY A 32 0.962 -3.898 8.532 1.00 0.00 H new ATOM 0 HA2 GLY A 32 1.472 -5.038 5.850 1.00 0.00 H new ATOM 0 HA3 GLY A 32 2.530 -5.128 7.244 1.00 0.00 H new ATOM 368 N ASN A 33 0.853 -7.407 6.354 1.00 0.00 N ATOM 369 CA ASN A 33 0.294 -8.732 6.593 1.00 0.00 C ATOM 370 C ASN A 33 1.104 -9.805 5.873 1.00 0.00 C ATOM 371 O ASN A 33 1.683 -9.558 4.816 1.00 0.00 O ATOM 372 CB ASN A 33 -1.163 -8.783 6.130 1.00 0.00 C ATOM 373 CG ASN A 33 -2.137 -8.509 7.259 1.00 0.00 C ATOM 374 OD1 ASN A 33 -2.831 -9.411 7.729 1.00 0.00 O ATOM 375 ND2 ASN A 33 -2.193 -7.258 7.701 1.00 0.00 N ATOM 0 H ASN A 33 1.213 -7.263 5.411 1.00 0.00 H new ATOM 0 HA ASN A 33 0.337 -8.928 7.664 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -1.315 -8.051 5.337 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -1.372 -9.764 5.703 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -2.830 -7.013 8.459 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -1.599 -6.542 7.282 1.00 0.00 H new ATOM 382 N ARG A 34 1.140 -10.999 6.456 1.00 0.00 N ATOM 383 CA ARG A 34 1.878 -12.113 5.873 1.00 0.00 C ATOM 384 C ARG A 34 0.926 -13.095 5.195 1.00 0.00 C ATOM 385 O ARG A 34 -0.287 -13.039 5.398 1.00 0.00 O ATOM 386 CB ARG A 34 2.692 -12.835 6.949 1.00 0.00 C ATOM 387 CG ARG A 34 3.717 -11.944 7.635 1.00 0.00 C ATOM 388 CD ARG A 34 3.331 -11.649 9.077 1.00 0.00 C ATOM 389 NE ARG A 34 2.840 -10.284 9.244 1.00 0.00 N ATOM 390 CZ ARG A 34 2.722 -9.678 10.424 1.00 0.00 C ATOM 391 NH1 ARG A 34 3.058 -10.313 11.541 1.00 0.00 N ATOM 392 NH2 ARG A 34 2.267 -8.435 10.488 1.00 0.00 N ATOM 0 H ARG A 34 0.666 -11.220 7.332 1.00 0.00 H new ATOM 0 HA ARG A 34 2.559 -11.713 5.122 1.00 0.00 H new ATOM 0 HB2 ARG A 34 2.011 -13.237 7.700 1.00 0.00 H new ATOM 0 HB3 ARG A 34 3.205 -13.684 6.497 1.00 0.00 H new ATOM 0 HG2 ARG A 34 4.693 -12.428 7.611 1.00 0.00 H new ATOM 0 HG3 ARG A 34 3.812 -11.008 7.085 1.00 0.00 H new ATOM 0 HD2 ARG A 34 2.563 -12.352 9.398 1.00 0.00 H new ATOM 0 HD3 ARG A 34 4.195 -11.805 9.723 1.00 0.00 H new ATOM 0 HE ARG A 34 2.572 -9.764 8.408 1.00 0.00 H new ATOM 0 HH11 ARG A 34 3.409 -11.270 11.498 1.00 0.00 H new ATOM 0 HH12 ARG A 34 2.966 -9.844 12.442 1.00 0.00 H new ATOM 0 HH21 ARG A 34 2.007 -7.942 9.633 1.00 0.00 H new ATOM 0 HH22 ARG A 34 2.177 -7.971 11.392 1.00 0.00 H new ATOM 406 N SER A 35 1.483 -13.995 4.390 1.00 0.00 N ATOM 407 CA SER A 35 0.683 -14.990 3.682 1.00 0.00 C ATOM 408 C SER A 35 -0.263 -15.713 4.637 1.00 0.00 C ATOM 409 O SER A 35 0.138 -16.142 5.719 1.00 0.00 O ATOM 410 CB SER A 35 1.592 -16.000 2.979 1.00 0.00 C ATOM 411 OG SER A 35 0.890 -17.192 2.666 1.00 0.00 O ATOM 0 H SER A 35 2.485 -14.056 4.211 1.00 0.00 H new ATOM 0 HA SER A 35 0.083 -14.471 2.934 1.00 0.00 H new ATOM 0 HB2 SER A 35 1.991 -15.559 2.065 1.00 0.00 H new ATOM 0 HB3 SER A 35 2.443 -16.234 3.618 1.00 0.00 H new ATOM 0 HG SER A 35 1.509 -17.952 2.689 1.00 0.00 H new ATOM 417 N LYS A 36 -1.521 -15.842 4.232 1.00 0.00 N ATOM 418 CA LYS A 36 -2.524 -16.510 5.052 1.00 0.00 C ATOM 419 C LYS A 36 -2.202 -17.993 5.224 1.00 0.00 C ATOM 420 O LYS A 36 -2.741 -18.652 6.113 1.00 0.00 O ATOM 421 CB LYS A 36 -3.912 -16.346 4.426 1.00 0.00 C ATOM 422 CG LYS A 36 -4.664 -15.122 4.923 1.00 0.00 C ATOM 423 CD LYS A 36 -3.958 -13.833 4.529 1.00 0.00 C ATOM 424 CE LYS A 36 -3.578 -13.008 5.748 1.00 0.00 C ATOM 425 NZ LYS A 36 -3.620 -11.547 5.464 1.00 0.00 N ATOM 0 H LYS A 36 -1.871 -15.492 3.340 1.00 0.00 H new ATOM 0 HA LYS A 36 -2.516 -16.044 6.038 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -3.807 -16.283 3.343 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -4.504 -17.236 4.638 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -5.674 -15.124 4.514 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -4.759 -15.168 6.008 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -3.062 -14.069 3.955 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -4.607 -13.246 3.879 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -4.258 -13.238 6.568 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -2.576 -13.285 6.076 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -3.322 -11.020 6.310 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -2.978 -11.328 4.676 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -4.589 -11.271 5.208 1.00 0.00 H new ATOM 439 N GLU A 37 -1.326 -18.514 4.370 1.00 0.00 N ATOM 440 CA GLU A 37 -0.943 -19.920 4.433 1.00 0.00 C ATOM 441 C GLU A 37 0.332 -20.107 5.248 1.00 0.00 C ATOM 442 O GLU A 37 0.498 -21.114 5.934 1.00 0.00 O ATOM 443 CB GLU A 37 -0.747 -20.480 3.022 1.00 0.00 C ATOM 444 CG GLU A 37 -0.897 -21.990 2.942 1.00 0.00 C ATOM 445 CD GLU A 37 -1.770 -22.429 1.781 1.00 0.00 C ATOM 446 OE1 GLU A 37 -1.592 -21.889 0.669 1.00 0.00 O ATOM 447 OE2 GLU A 37 -2.627 -23.313 1.985 1.00 0.00 O ATOM 0 H GLU A 37 -0.869 -17.985 3.628 1.00 0.00 H new ATOM 0 HA GLU A 37 -1.748 -20.465 4.927 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -1.470 -20.015 2.352 1.00 0.00 H new ATOM 0 HB3 GLU A 37 0.244 -20.202 2.664 1.00 0.00 H new ATOM 0 HG2 GLU A 37 0.089 -22.445 2.843 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -1.326 -22.359 3.874 1.00 0.00 H new ATOM 454 N ASN A 38 1.234 -19.133 5.167 1.00 0.00 N ATOM 455 CA ASN A 38 2.495 -19.199 5.897 1.00 0.00 C ATOM 456 C ASN A 38 2.966 -17.806 6.307 1.00 0.00 C ATOM 457 O ASN A 38 2.506 -16.800 5.769 1.00 0.00 O ATOM 458 CB ASN A 38 3.566 -19.888 5.043 1.00 0.00 C ATOM 459 CG ASN A 38 4.052 -19.022 3.892 1.00 0.00 C ATOM 460 OD1 ASN A 38 3.148 -18.683 2.980 1.00 0.00 O flip ATOM 461 ND2 ASN A 38 5.227 -18.663 3.826 1.00 0.00 N flip ATOM 0 H ASN A 38 1.115 -18.291 4.604 1.00 0.00 H new ATOM 0 HA ASN A 38 2.331 -19.783 6.803 1.00 0.00 H new ATOM 0 HB2 ASN A 38 4.414 -20.152 5.676 1.00 0.00 H new ATOM 0 HB3 ASN A 38 3.163 -20.819 4.645 1.00 0.00 H new ATOM 0 HD21 ASN A 38 5.888 -18.947 4.549 1.00 0.00 H new ATOM 0 HD22 ASN A 38 5.540 -18.082 3.048 1.00 0.00 H new ATOM 468 N HIS A 39 3.888 -17.756 7.263 1.00 0.00 N ATOM 469 CA HIS A 39 4.421 -16.486 7.742 1.00 0.00 C ATOM 470 C HIS A 39 5.292 -15.827 6.675 1.00 0.00 C ATOM 471 O HIS A 39 6.513 -15.746 6.813 1.00 0.00 O ATOM 472 CB HIS A 39 5.224 -16.700 9.029 1.00 0.00 C ATOM 473 CG HIS A 39 4.667 -15.968 10.211 1.00 0.00 C ATOM 474 ND1 HIS A 39 4.874 -16.371 11.512 1.00 0.00 N ATOM 475 CD2 HIS A 39 3.903 -14.852 10.281 1.00 0.00 C ATOM 476 CE1 HIS A 39 4.263 -15.535 12.333 1.00 0.00 C ATOM 477 NE2 HIS A 39 3.668 -14.605 11.611 1.00 0.00 N ATOM 0 H HIS A 39 4.281 -18.579 7.720 1.00 0.00 H new ATOM 0 HA HIS A 39 3.584 -15.821 7.957 1.00 0.00 H new ATOM 0 HB2 HIS A 39 5.256 -17.766 9.254 1.00 0.00 H new ATOM 0 HB3 HIS A 39 6.252 -16.378 8.864 1.00 0.00 H new ATOM 0 HD2 HIS A 39 3.546 -14.266 9.447 1.00 0.00 H new ATOM 0 HE1 HIS A 39 4.253 -15.602 13.411 1.00 0.00 H new ATOM 0 HE2 HIS A 39 3.121 -13.828 11.981 1.00 0.00 H new ATOM 486 N ALA A 40 4.654 -15.362 5.605 1.00 0.00 N ATOM 487 CA ALA A 40 5.365 -14.713 4.512 1.00 0.00 C ATOM 488 C ALA A 40 4.909 -13.268 4.342 1.00 0.00 C ATOM 489 O ALA A 40 3.818 -13.007 3.837 1.00 0.00 O ATOM 490 CB ALA A 40 5.163 -15.487 3.218 1.00 0.00 C ATOM 0 H ALA A 40 3.644 -15.423 5.473 1.00 0.00 H new ATOM 0 HA ALA A 40 6.427 -14.705 4.756 1.00 0.00 H new ATOM 0 HB1 ALA A 40 5.700 -14.991 2.410 1.00 0.00 H new ATOM 0 HB2 ALA A 40 5.544 -16.501 3.337 1.00 0.00 H new ATOM 0 HB3 ALA A 40 4.100 -15.524 2.978 1.00 0.00 H new ATOM 496 N ASP A 41 5.754 -12.333 4.766 1.00 0.00 N ATOM 497 CA ASP A 41 5.439 -10.911 4.662 1.00 0.00 C ATOM 498 C ASP A 41 5.103 -10.528 3.223 1.00 0.00 C ATOM 499 O ASP A 41 5.993 -10.380 2.385 1.00 0.00 O ATOM 500 CB ASP A 41 6.613 -10.070 5.164 1.00 0.00 C ATOM 501 CG ASP A 41 7.145 -10.556 6.498 1.00 0.00 C ATOM 502 OD1 ASP A 41 6.370 -10.564 7.478 1.00 0.00 O ATOM 503 OD2 ASP A 41 8.334 -10.927 6.562 1.00 0.00 O ATOM 0 H ASP A 41 6.662 -12.534 5.185 1.00 0.00 H new ATOM 0 HA ASP A 41 4.566 -10.713 5.283 1.00 0.00 H new ATOM 0 HB2 ASP A 41 7.415 -10.094 4.426 1.00 0.00 H new ATOM 0 HB3 ASP A 41 6.298 -9.031 5.259 1.00 0.00 H new ATOM 508 N LEU A 42 3.812 -10.370 2.944 1.00 0.00 N ATOM 509 CA LEU A 42 3.359 -10.004 1.609 1.00 0.00 C ATOM 510 C LEU A 42 3.644 -8.535 1.320 1.00 0.00 C ATOM 511 O LEU A 42 3.962 -8.165 0.189 1.00 0.00 O ATOM 512 CB LEU A 42 1.861 -10.284 1.462 1.00 0.00 C ATOM 513 CG LEU A 42 1.406 -11.654 1.965 1.00 0.00 C ATOM 514 CD1 LEU A 42 -0.103 -11.682 2.145 1.00 0.00 C ATOM 515 CD2 LEU A 42 1.850 -12.747 1.004 1.00 0.00 C ATOM 0 H LEU A 42 3.063 -10.490 3.626 1.00 0.00 H new ATOM 0 HA LEU A 42 3.908 -10.609 0.888 1.00 0.00 H new ATOM 0 HB2 LEU A 42 1.309 -9.514 2.001 1.00 0.00 H new ATOM 0 HB3 LEU A 42 1.591 -10.192 0.410 1.00 0.00 H new ATOM 0 HG LEU A 42 1.870 -11.837 2.934 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -0.408 -12.665 2.504 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -0.397 -10.924 2.871 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -0.587 -11.478 1.190 1.00 0.00 H new ATOM 0 HD21 LEU A 42 1.518 -13.716 1.377 1.00 0.00 H new ATOM 0 HD22 LEU A 42 1.413 -12.567 0.022 1.00 0.00 H new ATOM 0 HD23 LEU A 42 2.937 -12.742 0.924 1.00 0.00 H new ATOM 527 N GLY A 43 3.529 -7.703 2.348 1.00 0.00 N ATOM 528 CA GLY A 43 3.779 -6.284 2.185 1.00 0.00 C ATOM 529 C GLY A 43 2.805 -5.426 2.971 1.00 0.00 C ATOM 530 O GLY A 43 2.181 -5.898 3.924 1.00 0.00 O ATOM 0 H GLY A 43 3.267 -7.986 3.292 1.00 0.00 H new ATOM 0 HA2 GLY A 43 4.796 -6.059 2.505 1.00 0.00 H new ATOM 0 HA3 GLY A 43 3.713 -6.026 1.128 1.00 0.00 H new ATOM 534 N ILE A 44 2.675 -4.165 2.569 1.00 0.00 N ATOM 535 CA ILE A 44 1.769 -3.237 3.241 1.00 0.00 C ATOM 536 C ILE A 44 0.632 -2.821 2.315 1.00 0.00 C ATOM 537 O ILE A 44 0.822 -2.666 1.110 1.00 0.00 O ATOM 538 CB ILE A 44 2.500 -1.966 3.740 1.00 0.00 C ATOM 539 CG1 ILE A 44 4.006 -2.072 3.510 1.00 0.00 C ATOM 540 CG2 ILE A 44 2.210 -1.727 5.213 1.00 0.00 C ATOM 541 CD1 ILE A 44 4.668 -3.169 4.319 1.00 0.00 C ATOM 0 H ILE A 44 3.184 -3.762 1.783 1.00 0.00 H new ATOM 0 HA ILE A 44 1.368 -3.768 4.104 1.00 0.00 H new ATOM 0 HB ILE A 44 2.126 -1.118 3.166 1.00 0.00 H new ATOM 0 HG12 ILE A 44 4.192 -2.251 2.451 1.00 0.00 H new ATOM 0 HG13 ILE A 44 4.471 -1.118 3.758 1.00 0.00 H new ATOM 0 HG21 ILE A 44 2.732 -0.830 5.546 1.00 0.00 H new ATOM 0 HG22 ILE A 44 1.137 -1.597 5.356 1.00 0.00 H new ATOM 0 HG23 ILE A 44 2.552 -2.583 5.795 1.00 0.00 H new ATOM 0 HD11 ILE A 44 5.737 -3.185 4.104 1.00 0.00 H new ATOM 0 HD12 ILE A 44 4.514 -2.981 5.382 1.00 0.00 H new ATOM 0 HD13 ILE A 44 4.230 -4.131 4.054 1.00 0.00 H new ATOM 553 N PHE A 45 -0.551 -2.644 2.891 1.00 0.00 N ATOM 554 CA PHE A 45 -1.728 -2.244 2.124 1.00 0.00 C ATOM 555 C PHE A 45 -2.344 -0.979 2.710 1.00 0.00 C ATOM 556 O PHE A 45 -2.318 -0.769 3.922 1.00 0.00 O ATOM 557 CB PHE A 45 -2.774 -3.366 2.106 1.00 0.00 C ATOM 558 CG PHE A 45 -2.201 -4.743 2.305 1.00 0.00 C ATOM 559 CD1 PHE A 45 -1.070 -5.146 1.614 1.00 0.00 C ATOM 560 CD2 PHE A 45 -2.794 -5.631 3.187 1.00 0.00 C ATOM 561 CE1 PHE A 45 -0.543 -6.409 1.798 1.00 0.00 C ATOM 562 CE2 PHE A 45 -2.272 -6.896 3.376 1.00 0.00 C ATOM 563 CZ PHE A 45 -1.143 -7.285 2.682 1.00 0.00 C ATOM 0 H PHE A 45 -0.722 -2.771 3.888 1.00 0.00 H new ATOM 0 HA PHE A 45 -1.409 -2.044 1.101 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -3.510 -3.174 2.886 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -3.304 -3.339 1.154 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -0.595 -4.465 0.924 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -3.676 -5.331 3.734 1.00 0.00 H new ATOM 0 HE1 PHE A 45 0.338 -6.712 1.251 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -2.746 -7.579 4.065 1.00 0.00 H new ATOM 0 HZ PHE A 45 -0.730 -8.272 2.830 1.00 0.00 H new ATOM 573 N VAL A 46 -2.904 -0.141 1.844 1.00 0.00 N ATOM 574 CA VAL A 46 -3.529 1.099 2.283 1.00 0.00 C ATOM 575 C VAL A 46 -4.641 0.819 3.287 1.00 0.00 C ATOM 576 O VAL A 46 -5.673 0.242 2.945 1.00 0.00 O ATOM 577 CB VAL A 46 -4.105 1.894 1.096 1.00 0.00 C ATOM 578 CG1 VAL A 46 -4.561 3.273 1.547 1.00 0.00 C ATOM 579 CG2 VAL A 46 -3.078 2.002 -0.021 1.00 0.00 C ATOM 0 H VAL A 46 -2.937 -0.298 0.837 1.00 0.00 H new ATOM 0 HA VAL A 46 -2.752 1.697 2.759 1.00 0.00 H new ATOM 0 HB VAL A 46 -4.973 1.359 0.710 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -4.965 3.819 0.695 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -5.332 3.170 2.310 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -3.713 3.820 1.960 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -3.502 2.567 -0.851 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -2.190 2.513 0.350 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -2.806 1.003 -0.363 1.00 0.00 H new ATOM 589 N LYS A 47 -4.422 1.222 4.531 1.00 0.00 N ATOM 590 CA LYS A 47 -5.401 1.007 5.588 1.00 0.00 C ATOM 591 C LYS A 47 -6.416 2.143 5.628 1.00 0.00 C ATOM 592 O LYS A 47 -7.601 1.919 5.879 1.00 0.00 O ATOM 593 CB LYS A 47 -4.696 0.877 6.941 1.00 0.00 C ATOM 594 CG LYS A 47 -5.639 0.894 8.135 1.00 0.00 C ATOM 595 CD LYS A 47 -6.736 -0.150 7.996 1.00 0.00 C ATOM 596 CE LYS A 47 -6.170 -1.561 8.006 1.00 0.00 C ATOM 597 NZ LYS A 47 -6.556 -2.305 9.238 1.00 0.00 N ATOM 0 H LYS A 47 -3.574 1.700 4.834 1.00 0.00 H new ATOM 0 HA LYS A 47 -5.936 0.081 5.377 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -4.126 -0.052 6.954 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -3.979 1.692 7.045 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -5.074 0.709 9.049 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -6.087 1.883 8.232 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -7.451 -0.038 8.811 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -7.282 0.017 7.068 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -6.526 -2.101 7.129 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -5.083 -1.517 7.934 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -6.151 -3.262 9.207 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -6.195 -1.803 10.074 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -7.592 -2.370 9.294 1.00 0.00 H new ATOM 611 N SER A 48 -5.949 3.360 5.385 1.00 0.00 N ATOM 612 CA SER A 48 -6.827 4.523 5.400 1.00 0.00 C ATOM 613 C SER A 48 -6.148 5.737 4.782 1.00 0.00 C ATOM 614 O SER A 48 -4.926 5.773 4.635 1.00 0.00 O ATOM 615 CB SER A 48 -7.261 4.841 6.832 1.00 0.00 C ATOM 616 OG SER A 48 -8.632 5.193 6.885 1.00 0.00 O ATOM 0 H SER A 48 -4.972 3.568 5.176 1.00 0.00 H new ATOM 0 HA SER A 48 -7.707 4.284 4.802 1.00 0.00 H new ATOM 0 HB2 SER A 48 -7.080 3.976 7.470 1.00 0.00 H new ATOM 0 HB3 SER A 48 -6.657 5.659 7.225 1.00 0.00 H new ATOM 0 HG SER A 48 -8.884 5.390 7.812 1.00 0.00 H new ATOM 622 N ILE A 49 -6.950 6.734 4.427 1.00 0.00 N ATOM 623 CA ILE A 49 -6.433 7.958 3.830 1.00 0.00 C ATOM 624 C ILE A 49 -6.903 9.177 4.607 1.00 0.00 C ATOM 625 O ILE A 49 -7.968 9.164 5.224 1.00 0.00 O ATOM 626 CB ILE A 49 -6.873 8.106 2.359 1.00 0.00 C ATOM 627 CG1 ILE A 49 -6.773 6.765 1.631 1.00 0.00 C ATOM 628 CG2 ILE A 49 -6.039 9.165 1.649 1.00 0.00 C ATOM 629 CD1 ILE A 49 -7.164 6.842 0.172 1.00 0.00 C ATOM 0 H ILE A 49 -7.963 6.718 4.543 1.00 0.00 H new ATOM 0 HA ILE A 49 -5.346 7.892 3.867 1.00 0.00 H new ATOM 0 HB ILE A 49 -7.914 8.428 2.346 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -5.751 6.395 1.706 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -7.413 6.039 2.133 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -6.367 9.252 0.613 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -6.165 10.124 2.151 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -4.988 8.877 1.674 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -7.070 5.856 -0.283 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -8.196 7.182 0.089 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -6.508 7.543 -0.344 1.00 0.00 H new ATOM 641 N ILE A 50 -6.105 10.233 4.564 1.00 0.00 N ATOM 642 CA ILE A 50 -6.435 11.471 5.255 1.00 0.00 C ATOM 643 C ILE A 50 -6.963 12.504 4.265 1.00 0.00 C ATOM 644 O ILE A 50 -6.190 13.159 3.568 1.00 0.00 O ATOM 645 CB ILE A 50 -5.214 12.055 6.003 1.00 0.00 C ATOM 646 CG1 ILE A 50 -4.786 11.139 7.156 1.00 0.00 C ATOM 647 CG2 ILE A 50 -5.539 13.445 6.534 1.00 0.00 C ATOM 648 CD1 ILE A 50 -3.961 9.946 6.736 1.00 0.00 C ATOM 0 H ILE A 50 -5.221 10.258 4.056 1.00 0.00 H new ATOM 0 HA ILE A 50 -7.205 11.236 5.990 1.00 0.00 H new ATOM 0 HB ILE A 50 -4.386 12.126 5.298 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -4.214 11.725 7.875 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -5.678 10.784 7.672 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -4.672 13.846 7.059 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -5.795 14.101 5.702 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -6.383 13.384 7.221 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -3.703 9.354 7.614 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -4.535 9.333 6.041 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -3.048 10.288 6.249 1.00 0.00 H new ATOM 660 N ASN A 51 -8.283 12.638 4.211 1.00 0.00 N ATOM 661 CA ASN A 51 -8.928 13.589 3.305 1.00 0.00 C ATOM 662 C ASN A 51 -8.604 15.023 3.707 1.00 0.00 C ATOM 663 O ASN A 51 -9.455 15.744 4.232 1.00 0.00 O ATOM 664 CB ASN A 51 -10.451 13.392 3.288 1.00 0.00 C ATOM 665 CG ASN A 51 -10.873 11.979 3.652 1.00 0.00 C ATOM 666 OD1 ASN A 51 -11.034 11.729 4.948 1.00 0.00 O flip ATOM 667 ND2 ASN A 51 -11.051 11.126 2.782 1.00 0.00 N flip ATOM 0 H ASN A 51 -8.932 12.099 4.785 1.00 0.00 H new ATOM 0 HA ASN A 51 -8.540 13.402 2.304 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -10.910 14.093 3.985 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -10.832 13.634 2.296 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -10.915 11.364 1.799 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -11.334 10.182 3.044 1.00 0.00 H new ATOM 674 N GLY A 52 -7.367 15.432 3.460 1.00 0.00 N ATOM 675 CA GLY A 52 -6.944 16.776 3.803 1.00 0.00 C ATOM 676 C GLY A 52 -5.565 17.104 3.265 1.00 0.00 C ATOM 677 O GLY A 52 -5.272 18.258 2.955 1.00 0.00 O ATOM 0 H GLY A 52 -6.646 14.855 3.027 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -7.665 17.492 3.408 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -6.944 16.888 4.887 1.00 0.00 H new ATOM 681 N GLY A 53 -4.715 16.087 3.156 1.00 0.00 N ATOM 682 CA GLY A 53 -3.371 16.297 2.655 1.00 0.00 C ATOM 683 C GLY A 53 -3.166 15.725 1.267 1.00 0.00 C ATOM 684 O GLY A 53 -4.125 15.432 0.553 1.00 0.00 O ATOM 0 H GLY A 53 -4.934 15.123 3.406 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -3.157 17.366 2.638 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -2.657 15.840 3.340 1.00 0.00 H new ATOM 688 N ALA A 54 -1.905 15.588 0.887 1.00 0.00 N ATOM 689 CA ALA A 54 -1.528 15.073 -0.424 1.00 0.00 C ATOM 690 C ALA A 54 -2.312 13.834 -0.838 1.00 0.00 C ATOM 691 O ALA A 54 -2.923 13.820 -1.898 1.00 0.00 O ATOM 692 CB ALA A 54 -0.045 14.769 -0.438 1.00 0.00 C ATOM 0 H ALA A 54 -1.111 15.831 1.479 1.00 0.00 H new ATOM 0 HA ALA A 54 -1.770 15.849 -1.150 1.00 0.00 H new ATOM 0 HB1 ALA A 54 0.238 14.384 -1.418 1.00 0.00 H new ATOM 0 HB2 ALA A 54 0.515 15.681 -0.231 1.00 0.00 H new ATOM 0 HB3 ALA A 54 0.181 14.023 0.324 1.00 0.00 H new ATOM 698 N ALA A 55 -2.272 12.788 -0.025 1.00 0.00 N ATOM 699 CA ALA A 55 -2.972 11.548 -0.361 1.00 0.00 C ATOM 700 C ALA A 55 -4.426 11.813 -0.735 1.00 0.00 C ATOM 701 O ALA A 55 -5.005 11.108 -1.559 1.00 0.00 O ATOM 702 CB ALA A 55 -2.891 10.551 0.785 1.00 0.00 C ATOM 0 H ALA A 55 -1.770 12.768 0.863 1.00 0.00 H new ATOM 0 HA ALA A 55 -2.475 11.117 -1.230 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -3.419 9.638 0.511 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -1.846 10.318 0.992 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -3.350 10.982 1.675 1.00 0.00 H new ATOM 708 N SER A 56 -5.007 12.841 -0.136 1.00 0.00 N ATOM 709 CA SER A 56 -6.388 13.204 -0.419 1.00 0.00 C ATOM 710 C SER A 56 -6.487 13.932 -1.753 1.00 0.00 C ATOM 711 O SER A 56 -7.187 13.493 -2.667 1.00 0.00 O ATOM 712 CB SER A 56 -6.933 14.088 0.695 1.00 0.00 C ATOM 713 OG SER A 56 -8.238 14.547 0.394 1.00 0.00 O ATOM 0 H SER A 56 -4.544 13.439 0.549 1.00 0.00 H new ATOM 0 HA SER A 56 -6.981 12.291 -0.475 1.00 0.00 H new ATOM 0 HB2 SER A 56 -6.948 13.530 1.631 1.00 0.00 H new ATOM 0 HB3 SER A 56 -6.270 14.941 0.843 1.00 0.00 H new ATOM 0 HG SER A 56 -8.440 15.338 0.937 1.00 0.00 H new ATOM 719 N LYS A 57 -5.777 15.047 -1.854 1.00 0.00 N ATOM 720 CA LYS A 57 -5.772 15.853 -3.075 1.00 0.00 C ATOM 721 C LYS A 57 -5.200 15.072 -4.257 1.00 0.00 C ATOM 722 O LYS A 57 -5.494 15.375 -5.413 1.00 0.00 O ATOM 723 CB LYS A 57 -4.977 17.147 -2.875 1.00 0.00 C ATOM 724 CG LYS A 57 -3.704 16.986 -2.063 1.00 0.00 C ATOM 725 CD LYS A 57 -3.633 18.013 -0.945 1.00 0.00 C ATOM 726 CE LYS A 57 -2.200 18.431 -0.659 1.00 0.00 C ATOM 727 NZ LYS A 57 -2.122 19.818 -0.122 1.00 0.00 N ATOM 0 H LYS A 57 -5.194 15.418 -1.104 1.00 0.00 H new ATOM 0 HA LYS A 57 -6.808 16.106 -3.298 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -4.720 17.555 -3.852 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -5.617 17.879 -2.382 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -3.663 15.982 -1.641 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -2.837 17.094 -2.715 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -4.221 18.890 -1.218 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -4.079 17.599 -0.041 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -1.756 17.739 0.057 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -1.612 18.363 -1.575 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -1.135 20.145 -0.147 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -2.711 20.449 -0.703 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -2.466 19.830 0.859 1.00 0.00 H new ATOM 741 N ASP A 58 -4.378 14.072 -3.959 1.00 0.00 N ATOM 742 CA ASP A 58 -3.757 13.251 -4.992 1.00 0.00 C ATOM 743 C ASP A 58 -4.810 12.587 -5.871 1.00 0.00 C ATOM 744 O ASP A 58 -4.695 12.577 -7.096 1.00 0.00 O ATOM 745 CB ASP A 58 -2.865 12.184 -4.360 1.00 0.00 C ATOM 746 CG ASP A 58 -1.965 11.509 -5.375 1.00 0.00 C ATOM 747 OD1 ASP A 58 -1.633 12.153 -6.393 1.00 0.00 O ATOM 748 OD2 ASP A 58 -1.588 10.339 -5.154 1.00 0.00 O ATOM 0 H ASP A 58 -4.125 13.810 -3.006 1.00 0.00 H new ATOM 0 HA ASP A 58 -3.147 13.905 -5.616 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -2.253 12.640 -3.582 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -3.489 11.433 -3.875 1.00 0.00 H new ATOM 753 N GLY A 59 -5.835 12.030 -5.234 1.00 0.00 N ATOM 754 CA GLY A 59 -6.891 11.364 -5.973 1.00 0.00 C ATOM 755 C GLY A 59 -6.372 10.199 -6.790 1.00 0.00 C ATOM 756 O GLY A 59 -6.933 9.864 -7.833 1.00 0.00 O ATOM 0 H GLY A 59 -5.953 12.028 -4.221 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -7.650 11.007 -5.277 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -7.377 12.081 -6.634 1.00 0.00 H new ATOM 760 N ARG A 60 -5.293 9.583 -6.315 1.00 0.00 N ATOM 761 CA ARG A 60 -4.691 8.450 -7.009 1.00 0.00 C ATOM 762 C ARG A 60 -4.672 7.210 -6.118 1.00 0.00 C ATOM 763 O ARG A 60 -5.213 6.166 -6.484 1.00 0.00 O ATOM 764 CB ARG A 60 -3.273 8.802 -7.459 1.00 0.00 C ATOM 765 CG ARG A 60 -3.157 9.051 -8.955 1.00 0.00 C ATOM 766 CD ARG A 60 -1.922 9.872 -9.292 1.00 0.00 C ATOM 767 NE ARG A 60 -2.019 11.239 -8.786 1.00 0.00 N ATOM 768 CZ ARG A 60 -1.191 12.220 -9.136 1.00 0.00 C ATOM 769 NH1 ARG A 60 -0.207 11.991 -9.996 1.00 0.00 N ATOM 770 NH2 ARG A 60 -1.350 13.434 -8.627 1.00 0.00 N ATOM 0 H ARG A 60 -4.818 9.850 -5.453 1.00 0.00 H new ATOM 0 HA ARG A 60 -5.296 8.226 -7.887 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -2.940 9.691 -6.924 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -2.600 7.991 -7.180 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -3.115 8.097 -9.481 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -4.048 9.571 -9.308 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -1.040 9.391 -8.869 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -1.785 9.894 -10.373 1.00 0.00 H new ATOM 0 HE ARG A 60 -2.766 11.454 -8.125 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -0.082 11.059 -10.392 1.00 0.00 H new ATOM 0 HH12 ARG A 60 0.425 12.747 -10.261 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -2.107 13.615 -7.968 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -0.716 14.186 -8.895 1.00 0.00 H new ATOM 784 N LEU A 61 -4.046 7.327 -4.947 1.00 0.00 N ATOM 785 CA LEU A 61 -3.965 6.205 -4.009 1.00 0.00 C ATOM 786 C LEU A 61 -5.335 5.562 -3.813 1.00 0.00 C ATOM 787 O LEU A 61 -6.349 6.095 -4.259 1.00 0.00 O ATOM 788 CB LEU A 61 -3.397 6.642 -2.644 1.00 0.00 C ATOM 789 CG LEU A 61 -3.579 8.117 -2.255 1.00 0.00 C ATOM 790 CD1 LEU A 61 -2.463 8.965 -2.844 1.00 0.00 C ATOM 791 CD2 LEU A 61 -4.948 8.644 -2.678 1.00 0.00 C ATOM 0 H LEU A 61 -3.590 8.181 -4.626 1.00 0.00 H new ATOM 0 HA LEU A 61 -3.284 5.473 -4.444 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -3.860 6.028 -1.872 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -2.330 6.417 -2.633 1.00 0.00 H new ATOM 0 HG LEU A 61 -3.527 8.185 -1.168 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -2.608 10.007 -2.558 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -1.502 8.615 -2.466 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -2.477 8.881 -3.931 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -5.041 9.690 -2.387 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -5.053 8.558 -3.760 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -5.729 8.061 -2.190 1.00 0.00 H new ATOM 803 N ARG A 62 -5.358 4.415 -3.143 1.00 0.00 N ATOM 804 CA ARG A 62 -6.606 3.710 -2.894 1.00 0.00 C ATOM 805 C ARG A 62 -6.497 2.809 -1.675 1.00 0.00 C ATOM 806 O ARG A 62 -5.488 2.134 -1.476 1.00 0.00 O ATOM 807 CB ARG A 62 -7.011 2.888 -4.118 1.00 0.00 C ATOM 808 CG ARG A 62 -8.500 2.941 -4.418 1.00 0.00 C ATOM 809 CD ARG A 62 -8.768 3.226 -5.888 1.00 0.00 C ATOM 810 NE ARG A 62 -8.078 4.429 -6.347 1.00 0.00 N ATOM 811 CZ ARG A 62 -8.425 5.664 -5.995 1.00 0.00 C ATOM 812 NH1 ARG A 62 -9.450 5.864 -5.176 1.00 0.00 N ATOM 813 NH2 ARG A 62 -7.744 6.702 -6.460 1.00 0.00 N ATOM 0 H ARG A 62 -4.529 3.957 -2.765 1.00 0.00 H new ATOM 0 HA ARG A 62 -7.375 4.457 -2.698 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -6.460 3.249 -4.987 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -6.716 1.850 -3.963 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -8.961 1.993 -4.141 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -8.967 3.713 -3.807 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -8.447 2.373 -6.487 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -9.840 3.341 -6.045 1.00 0.00 H new ATOM 0 HE ARG A 62 -7.282 4.315 -6.975 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -9.976 5.069 -4.813 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -9.712 6.813 -4.909 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -6.954 6.554 -7.088 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -8.010 7.649 -6.190 1.00 0.00 H new ATOM 827 N VAL A 63 -7.546 2.800 -0.862 1.00 0.00 N ATOM 828 CA VAL A 63 -7.565 1.974 0.330 1.00 0.00 C ATOM 829 C VAL A 63 -7.526 0.501 -0.053 1.00 0.00 C ATOM 830 O VAL A 63 -8.141 0.092 -1.038 1.00 0.00 O ATOM 831 CB VAL A 63 -8.809 2.246 1.198 1.00 0.00 C ATOM 832 CG1 VAL A 63 -8.654 1.598 2.566 1.00 0.00 C ATOM 833 CG2 VAL A 63 -9.051 3.746 1.336 1.00 0.00 C ATOM 0 H VAL A 63 -8.390 3.354 -1.009 1.00 0.00 H new ATOM 0 HA VAL A 63 -6.682 2.228 0.916 1.00 0.00 H new ATOM 0 HB VAL A 63 -9.676 1.806 0.705 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -9.541 1.800 3.167 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -8.533 0.521 2.447 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -7.777 2.008 3.066 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -9.934 3.917 1.952 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -8.185 4.213 1.805 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -9.208 4.182 0.349 1.00 0.00 H new ATOM 843 N ASN A 64 -6.786 -0.283 0.723 1.00 0.00 N ATOM 844 CA ASN A 64 -6.640 -1.719 0.480 1.00 0.00 C ATOM 845 C ASN A 64 -5.653 -2.005 -0.656 1.00 0.00 C ATOM 846 O ASN A 64 -5.311 -3.163 -0.900 1.00 0.00 O ATOM 847 CB ASN A 64 -7.994 -2.377 0.182 1.00 0.00 C ATOM 848 CG ASN A 64 -8.597 -3.031 1.409 1.00 0.00 C ATOM 849 OD1 ASN A 64 -8.377 -4.214 1.668 1.00 0.00 O ATOM 850 ND2 ASN A 64 -9.363 -2.259 2.173 1.00 0.00 N ATOM 0 H ASN A 64 -6.271 0.054 1.536 1.00 0.00 H new ATOM 0 HA ASN A 64 -6.238 -2.154 1.395 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -8.684 -1.626 -0.203 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -7.868 -3.125 -0.601 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -9.796 -2.642 3.013 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -9.518 -1.283 1.919 1.00 0.00 H new ATOM 857 N ASP A 65 -5.181 -0.962 -1.343 1.00 0.00 N ATOM 858 CA ASP A 65 -4.225 -1.154 -2.432 1.00 0.00 C ATOM 859 C ASP A 65 -2.933 -1.762 -1.898 1.00 0.00 C ATOM 860 O ASP A 65 -2.530 -1.484 -0.768 1.00 0.00 O ATOM 861 CB ASP A 65 -3.935 0.172 -3.134 1.00 0.00 C ATOM 862 CG ASP A 65 -3.645 -0.009 -4.612 1.00 0.00 C ATOM 863 OD1 ASP A 65 -2.924 -0.969 -4.962 1.00 0.00 O ATOM 864 OD2 ASP A 65 -4.137 0.806 -5.420 1.00 0.00 O ATOM 0 H ASP A 65 -5.441 0.009 -1.168 1.00 0.00 H new ATOM 0 HA ASP A 65 -4.663 -1.839 -3.158 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -4.789 0.839 -3.013 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -3.083 0.655 -2.656 1.00 0.00 H new ATOM 869 N GLN A 66 -2.289 -2.600 -2.706 1.00 0.00 N ATOM 870 CA GLN A 66 -1.049 -3.250 -2.291 1.00 0.00 C ATOM 871 C GLN A 66 0.170 -2.409 -2.658 1.00 0.00 C ATOM 872 O GLN A 66 0.402 -2.112 -3.827 1.00 0.00 O ATOM 873 CB GLN A 66 -0.937 -4.634 -2.932 1.00 0.00 C ATOM 874 CG GLN A 66 -0.219 -5.652 -2.060 1.00 0.00 C ATOM 875 CD GLN A 66 1.142 -6.034 -2.608 1.00 0.00 C ATOM 876 OE1 GLN A 66 1.245 -6.691 -3.644 1.00 0.00 O ATOM 877 NE2 GLN A 66 2.196 -5.624 -1.913 1.00 0.00 N ATOM 0 H GLN A 66 -2.602 -2.844 -3.646 1.00 0.00 H new ATOM 0 HA GLN A 66 -1.075 -3.355 -1.206 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -1.938 -5.003 -3.158 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -0.409 -4.544 -3.881 1.00 0.00 H new ATOM 0 HG2 GLN A 66 -0.101 -5.245 -1.056 1.00 0.00 H new ATOM 0 HG3 GLN A 66 -0.835 -6.547 -1.971 1.00 0.00 H new ATOM 0 HE21 GLN A 66 2.064 -5.081 -1.059 1.00 0.00 H new ATOM 0 HE22 GLN A 66 3.138 -5.852 -2.233 1.00 0.00 H new ATOM 886 N LEU A 67 0.954 -2.036 -1.650 1.00 0.00 N ATOM 887 CA LEU A 67 2.156 -1.240 -1.875 1.00 0.00 C ATOM 888 C LEU A 67 3.248 -2.094 -2.510 1.00 0.00 C ATOM 889 O LEU A 67 3.298 -3.305 -2.301 1.00 0.00 O ATOM 890 CB LEU A 67 2.657 -0.645 -0.557 1.00 0.00 C ATOM 891 CG LEU A 67 1.799 0.488 0.009 1.00 0.00 C ATOM 892 CD1 LEU A 67 2.248 0.847 1.419 1.00 0.00 C ATOM 893 CD2 LEU A 67 1.857 1.708 -0.900 1.00 0.00 C ATOM 0 H LEU A 67 0.779 -2.271 -0.673 1.00 0.00 H new ATOM 0 HA LEU A 67 1.906 -0.426 -2.555 1.00 0.00 H new ATOM 0 HB2 LEU A 67 2.715 -1.442 0.185 1.00 0.00 H new ATOM 0 HB3 LEU A 67 3.671 -0.273 -0.706 1.00 0.00 H new ATOM 0 HG LEU A 67 0.765 0.145 0.056 1.00 0.00 H new ATOM 0 HD11 LEU A 67 1.626 1.655 1.804 1.00 0.00 H new ATOM 0 HD12 LEU A 67 2.151 -0.026 2.065 1.00 0.00 H new ATOM 0 HD13 LEU A 67 3.289 1.169 1.398 1.00 0.00 H new ATOM 0 HD21 LEU A 67 1.241 2.503 -0.481 1.00 0.00 H new ATOM 0 HD22 LEU A 67 2.888 2.052 -0.981 1.00 0.00 H new ATOM 0 HD23 LEU A 67 1.484 1.443 -1.889 1.00 0.00 H new ATOM 905 N ILE A 68 4.120 -1.461 -3.291 1.00 0.00 N ATOM 906 CA ILE A 68 5.200 -2.184 -3.953 1.00 0.00 C ATOM 907 C ILE A 68 6.497 -1.381 -3.969 1.00 0.00 C ATOM 908 O ILE A 68 7.574 -1.931 -3.742 1.00 0.00 O ATOM 909 CB ILE A 68 4.823 -2.552 -5.401 1.00 0.00 C ATOM 910 CG1 ILE A 68 3.438 -3.202 -5.443 1.00 0.00 C ATOM 911 CG2 ILE A 68 5.869 -3.479 -6.003 1.00 0.00 C ATOM 912 CD1 ILE A 68 3.379 -4.542 -4.744 1.00 0.00 C ATOM 0 H ILE A 68 4.100 -0.459 -3.479 1.00 0.00 H new ATOM 0 HA ILE A 68 5.357 -3.095 -3.376 1.00 0.00 H new ATOM 0 HB ILE A 68 4.792 -1.638 -5.995 1.00 0.00 H new ATOM 0 HG12 ILE A 68 2.715 -2.529 -4.982 1.00 0.00 H new ATOM 0 HG13 ILE A 68 3.137 -3.330 -6.483 1.00 0.00 H new ATOM 0 HG21 ILE A 68 5.588 -3.729 -7.026 1.00 0.00 H new ATOM 0 HG22 ILE A 68 6.839 -2.981 -6.005 1.00 0.00 H new ATOM 0 HG23 ILE A 68 5.931 -4.392 -5.410 1.00 0.00 H new ATOM 0 HD11 ILE A 68 2.368 -4.944 -4.813 1.00 0.00 H new ATOM 0 HD12 ILE A 68 4.077 -5.231 -5.219 1.00 0.00 H new ATOM 0 HD13 ILE A 68 3.649 -4.418 -3.695 1.00 0.00 H new ATOM 924 N ALA A 69 6.398 -0.086 -4.247 1.00 0.00 N ATOM 925 CA ALA A 69 7.582 0.766 -4.297 1.00 0.00 C ATOM 926 C ALA A 69 7.274 2.190 -3.846 1.00 0.00 C ATOM 927 O ALA A 69 6.114 2.574 -3.702 1.00 0.00 O ATOM 928 CB ALA A 69 8.162 0.773 -5.703 1.00 0.00 C ATOM 0 H ALA A 69 5.519 0.394 -4.440 1.00 0.00 H new ATOM 0 HA ALA A 69 8.317 0.354 -3.606 1.00 0.00 H new ATOM 0 HB1 ALA A 69 9.045 1.412 -5.729 1.00 0.00 H new ATOM 0 HB2 ALA A 69 8.440 -0.242 -5.987 1.00 0.00 H new ATOM 0 HB3 ALA A 69 7.417 1.154 -6.402 1.00 0.00 H new ATOM 934 N VAL A 70 8.331 2.965 -3.625 1.00 0.00 N ATOM 935 CA VAL A 70 8.195 4.351 -3.191 1.00 0.00 C ATOM 936 C VAL A 70 9.453 5.150 -3.523 1.00 0.00 C ATOM 937 O VAL A 70 10.511 4.934 -2.933 1.00 0.00 O ATOM 938 CB VAL A 70 7.920 4.439 -1.676 1.00 0.00 C ATOM 939 CG1 VAL A 70 9.078 3.850 -0.884 1.00 0.00 C ATOM 940 CG2 VAL A 70 7.655 5.879 -1.262 1.00 0.00 C ATOM 0 H VAL A 70 9.296 2.655 -3.740 1.00 0.00 H new ATOM 0 HA VAL A 70 7.347 4.776 -3.728 1.00 0.00 H new ATOM 0 HB VAL A 70 7.028 3.853 -1.455 1.00 0.00 H new ATOM 0 HG11 VAL A 70 8.864 3.922 0.182 1.00 0.00 H new ATOM 0 HG12 VAL A 70 9.211 2.803 -1.157 1.00 0.00 H new ATOM 0 HG13 VAL A 70 9.991 4.402 -1.109 1.00 0.00 H new ATOM 0 HG21 VAL A 70 7.463 5.920 -0.190 1.00 0.00 H new ATOM 0 HG22 VAL A 70 8.525 6.492 -1.499 1.00 0.00 H new ATOM 0 HG23 VAL A 70 6.787 6.259 -1.801 1.00 0.00 H new ATOM 950 N ASN A 71 9.334 6.070 -4.477 1.00 0.00 N ATOM 951 CA ASN A 71 10.464 6.896 -4.891 1.00 0.00 C ATOM 952 C ASN A 71 11.643 6.023 -5.313 1.00 0.00 C ATOM 953 O ASN A 71 12.778 6.241 -4.885 1.00 0.00 O ATOM 954 CB ASN A 71 10.891 7.828 -3.757 1.00 0.00 C ATOM 955 CG ASN A 71 9.730 8.616 -3.187 1.00 0.00 C ATOM 956 OD1 ASN A 71 9.115 9.427 -3.879 1.00 0.00 O ATOM 957 ND2 ASN A 71 9.425 8.382 -1.917 1.00 0.00 N ATOM 0 H ASN A 71 8.466 6.262 -4.978 1.00 0.00 H new ATOM 0 HA ASN A 71 10.148 7.497 -5.744 1.00 0.00 H new ATOM 0 HB2 ASN A 71 11.353 7.241 -2.963 1.00 0.00 H new ATOM 0 HB3 ASN A 71 11.649 8.519 -4.125 1.00 0.00 H new ATOM 0 HD21 ASN A 71 8.653 8.884 -1.477 1.00 0.00 H new ATOM 0 HD22 ASN A 71 9.962 7.701 -1.381 1.00 0.00 H new ATOM 964 N GLY A 72 11.366 5.029 -6.148 1.00 0.00 N ATOM 965 CA GLY A 72 12.413 4.134 -6.606 1.00 0.00 C ATOM 966 C GLY A 72 12.880 3.185 -5.518 1.00 0.00 C ATOM 967 O GLY A 72 13.872 2.477 -5.689 1.00 0.00 O ATOM 0 H GLY A 72 10.437 4.826 -6.516 1.00 0.00 H new ATOM 0 HA2 GLY A 72 12.048 3.557 -7.456 1.00 0.00 H new ATOM 0 HA3 GLY A 72 13.260 4.721 -6.960 1.00 0.00 H new ATOM 971 N GLU A 73 12.164 3.168 -4.395 1.00 0.00 N ATOM 972 CA GLU A 73 12.511 2.298 -3.278 1.00 0.00 C ATOM 973 C GLU A 73 11.575 1.097 -3.218 1.00 0.00 C ATOM 974 O GLU A 73 10.464 1.186 -2.694 1.00 0.00 O ATOM 975 CB GLU A 73 12.454 3.075 -1.960 1.00 0.00 C ATOM 976 CG GLU A 73 13.610 2.767 -1.023 1.00 0.00 C ATOM 977 CD GLU A 73 14.922 3.355 -1.504 1.00 0.00 C ATOM 978 OE1 GLU A 73 15.435 2.891 -2.543 1.00 0.00 O ATOM 979 OE2 GLU A 73 15.438 4.279 -0.841 1.00 0.00 O ATOM 0 H GLU A 73 11.340 3.748 -4.237 1.00 0.00 H new ATOM 0 HA GLU A 73 13.528 1.937 -3.431 1.00 0.00 H new ATOM 0 HB2 GLU A 73 12.448 4.143 -2.177 1.00 0.00 H new ATOM 0 HB3 GLU A 73 11.516 2.847 -1.454 1.00 0.00 H new ATOM 0 HG2 GLU A 73 13.383 3.158 -0.031 1.00 0.00 H new ATOM 0 HG3 GLU A 73 13.715 1.687 -0.924 1.00 0.00 H new ATOM 986 N SER A 74 12.031 -0.026 -3.760 1.00 0.00 N ATOM 987 CA SER A 74 11.238 -1.250 -3.776 1.00 0.00 C ATOM 988 C SER A 74 10.846 -1.667 -2.363 1.00 0.00 C ATOM 989 O SER A 74 11.626 -1.520 -1.421 1.00 0.00 O ATOM 990 CB SER A 74 12.015 -2.378 -4.456 1.00 0.00 C ATOM 991 OG SER A 74 13.210 -2.672 -3.751 1.00 0.00 O ATOM 0 H SER A 74 12.949 -0.115 -4.196 1.00 0.00 H new ATOM 0 HA SER A 74 10.327 -1.053 -4.341 1.00 0.00 H new ATOM 0 HB2 SER A 74 11.392 -3.271 -4.511 1.00 0.00 H new ATOM 0 HB3 SER A 74 12.254 -2.093 -5.480 1.00 0.00 H new ATOM 0 HG SER A 74 13.688 -3.397 -4.205 1.00 0.00 H new ATOM 997 N LEU A 75 9.631 -2.186 -2.222 1.00 0.00 N ATOM 998 CA LEU A 75 9.131 -2.627 -0.925 1.00 0.00 C ATOM 999 C LEU A 75 8.978 -4.146 -0.878 1.00 0.00 C ATOM 1000 O LEU A 75 8.886 -4.733 0.201 1.00 0.00 O ATOM 1001 CB LEU A 75 7.786 -1.959 -0.620 1.00 0.00 C ATOM 1002 CG LEU A 75 7.865 -0.569 0.020 1.00 0.00 C ATOM 1003 CD1 LEU A 75 6.497 -0.148 0.536 1.00 0.00 C ATOM 1004 CD2 LEU A 75 8.888 -0.547 1.147 1.00 0.00 C ATOM 0 H LEU A 75 8.973 -2.312 -2.991 1.00 0.00 H new ATOM 0 HA LEU A 75 9.859 -2.333 -0.169 1.00 0.00 H new ATOM 0 HB2 LEU A 75 7.222 -1.880 -1.549 1.00 0.00 H new ATOM 0 HB3 LEU A 75 7.219 -2.612 0.043 1.00 0.00 H new ATOM 0 HG LEU A 75 8.186 0.141 -0.743 1.00 0.00 H new ATOM 0 HD11 LEU A 75 6.567 0.841 0.988 1.00 0.00 H new ATOM 0 HD12 LEU A 75 5.789 -0.119 -0.292 1.00 0.00 H new ATOM 0 HD13 LEU A 75 6.153 -0.864 1.282 1.00 0.00 H new ATOM 0 HD21 LEU A 75 8.925 0.450 1.585 1.00 0.00 H new ATOM 0 HD22 LEU A 75 8.602 -1.269 1.912 1.00 0.00 H new ATOM 0 HD23 LEU A 75 9.870 -0.807 0.752 1.00 0.00 H new ATOM 1016 N LEU A 76 8.946 -4.778 -2.051 1.00 0.00 N ATOM 1017 CA LEU A 76 8.799 -6.230 -2.140 1.00 0.00 C ATOM 1018 C LEU A 76 9.718 -6.943 -1.150 1.00 0.00 C ATOM 1019 O LEU A 76 9.251 -7.650 -0.256 1.00 0.00 O ATOM 1020 CB LEU A 76 9.100 -6.705 -3.563 1.00 0.00 C ATOM 1021 CG LEU A 76 7.942 -6.560 -4.552 1.00 0.00 C ATOM 1022 CD1 LEU A 76 8.467 -6.378 -5.967 1.00 0.00 C ATOM 1023 CD2 LEU A 76 7.021 -7.768 -4.473 1.00 0.00 C ATOM 0 H LEU A 76 9.020 -4.307 -2.953 1.00 0.00 H new ATOM 0 HA LEU A 76 7.768 -6.478 -1.887 1.00 0.00 H new ATOM 0 HB2 LEU A 76 9.955 -6.146 -3.943 1.00 0.00 H new ATOM 0 HB3 LEU A 76 9.396 -7.753 -3.525 1.00 0.00 H new ATOM 0 HG LEU A 76 7.369 -5.673 -4.284 1.00 0.00 H new ATOM 0 HD11 LEU A 76 7.628 -6.277 -6.656 1.00 0.00 H new ATOM 0 HD12 LEU A 76 9.085 -5.481 -6.013 1.00 0.00 H new ATOM 0 HD13 LEU A 76 9.064 -7.245 -6.248 1.00 0.00 H new ATOM 0 HD21 LEU A 76 6.203 -7.649 -5.183 1.00 0.00 H new ATOM 0 HD22 LEU A 76 7.583 -8.670 -4.715 1.00 0.00 H new ATOM 0 HD23 LEU A 76 6.617 -7.852 -3.464 1.00 0.00 H new ATOM 1035 N GLY A 77 11.022 -6.751 -1.313 1.00 0.00 N ATOM 1036 CA GLY A 77 11.979 -7.380 -0.421 1.00 0.00 C ATOM 1037 C GLY A 77 11.769 -6.975 1.025 1.00 0.00 C ATOM 1038 O GLY A 77 12.074 -7.738 1.941 1.00 0.00 O ATOM 0 H GLY A 77 11.433 -6.172 -2.045 1.00 0.00 H new ATOM 0 HA2 GLY A 77 11.896 -8.463 -0.508 1.00 0.00 H new ATOM 0 HA3 GLY A 77 12.990 -7.112 -0.728 1.00 0.00 H new ATOM 1042 N LYS A 78 11.248 -5.769 1.227 1.00 0.00 N ATOM 1043 CA LYS A 78 10.995 -5.257 2.566 1.00 0.00 C ATOM 1044 C LYS A 78 9.764 -5.903 3.180 1.00 0.00 C ATOM 1045 O LYS A 78 8.713 -5.997 2.546 1.00 0.00 O ATOM 1046 CB LYS A 78 10.809 -3.742 2.528 1.00 0.00 C ATOM 1047 CG LYS A 78 12.109 -2.978 2.373 1.00 0.00 C ATOM 1048 CD LYS A 78 12.039 -1.627 3.053 1.00 0.00 C ATOM 1049 CE LYS A 78 13.403 -1.190 3.559 1.00 0.00 C ATOM 1050 NZ LYS A 78 14.309 -0.791 2.447 1.00 0.00 N ATOM 0 H LYS A 78 10.993 -5.127 0.476 1.00 0.00 H new ATOM 0 HA LYS A 78 11.860 -5.503 3.183 1.00 0.00 H new ATOM 0 HB2 LYS A 78 10.145 -3.486 1.702 1.00 0.00 H new ATOM 0 HB3 LYS A 78 10.315 -3.421 3.445 1.00 0.00 H new ATOM 0 HG2 LYS A 78 12.927 -3.559 2.798 1.00 0.00 H new ATOM 0 HG3 LYS A 78 12.330 -2.843 1.314 1.00 0.00 H new ATOM 0 HD2 LYS A 78 11.654 -0.885 2.353 1.00 0.00 H new ATOM 0 HD3 LYS A 78 11.338 -1.673 3.886 1.00 0.00 H new ATOM 0 HE2 LYS A 78 13.283 -0.353 4.247 1.00 0.00 H new ATOM 0 HE3 LYS A 78 13.858 -2.004 4.123 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 15.290 -0.762 2.792 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 14.234 -1.482 1.673 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 14.037 0.150 2.098 1.00 0.00 H new ATOM 1064 N ALA A 79 9.901 -6.331 4.425 1.00 0.00 N ATOM 1065 CA ALA A 79 8.806 -6.950 5.145 1.00 0.00 C ATOM 1066 C ALA A 79 7.849 -5.886 5.657 1.00 0.00 C ATOM 1067 O ALA A 79 7.946 -4.719 5.281 1.00 0.00 O ATOM 1068 CB ALA A 79 9.339 -7.794 6.291 1.00 0.00 C ATOM 0 H ALA A 79 10.767 -6.259 4.959 1.00 0.00 H new ATOM 0 HA ALA A 79 8.261 -7.604 4.465 1.00 0.00 H new ATOM 0 HB1 ALA A 79 8.506 -8.253 6.823 1.00 0.00 H new ATOM 0 HB2 ALA A 79 9.991 -8.573 5.896 1.00 0.00 H new ATOM 0 HB3 ALA A 79 9.903 -7.162 6.977 1.00 0.00 H new ATOM 1074 N ASN A 80 6.923 -6.291 6.510 1.00 0.00 N ATOM 1075 CA ASN A 80 5.946 -5.367 7.068 1.00 0.00 C ATOM 1076 C ASN A 80 6.622 -4.181 7.757 1.00 0.00 C ATOM 1077 O ASN A 80 6.332 -3.025 7.447 1.00 0.00 O ATOM 1078 CB ASN A 80 5.033 -6.099 8.055 1.00 0.00 C ATOM 1079 CG ASN A 80 5.801 -7.013 8.990 1.00 0.00 C ATOM 1080 OD1 ASN A 80 6.298 -6.579 10.030 1.00 0.00 O ATOM 1081 ND2 ASN A 80 5.903 -8.284 8.623 1.00 0.00 N ATOM 0 H ASN A 80 6.826 -7.254 6.832 1.00 0.00 H new ATOM 0 HA ASN A 80 5.348 -4.977 6.244 1.00 0.00 H new ATOM 0 HB2 ASN A 80 4.478 -5.367 8.642 1.00 0.00 H new ATOM 0 HB3 ASN A 80 4.300 -6.685 7.501 1.00 0.00 H new ATOM 0 HD21 ASN A 80 6.409 -8.946 9.211 1.00 0.00 H new ATOM 0 HD22 ASN A 80 5.475 -8.599 7.752 1.00 0.00 H new ATOM 1088 N GLN A 81 7.510 -4.470 8.703 1.00 0.00 N ATOM 1089 CA GLN A 81 8.199 -3.418 9.442 1.00 0.00 C ATOM 1090 C GLN A 81 9.172 -2.636 8.556 1.00 0.00 C ATOM 1091 O GLN A 81 9.261 -1.412 8.658 1.00 0.00 O ATOM 1092 CB GLN A 81 8.921 -4.004 10.663 1.00 0.00 C ATOM 1093 CG GLN A 81 10.271 -4.627 10.355 1.00 0.00 C ATOM 1094 CD GLN A 81 10.154 -5.990 9.701 1.00 0.00 C ATOM 1095 OE1 GLN A 81 10.850 -6.168 8.587 1.00 0.00 O flip ATOM 1096 NE2 GLN A 81 9.446 -6.868 10.192 1.00 0.00 N flip ATOM 0 H GLN A 81 7.768 -5.419 8.975 1.00 0.00 H new ATOM 0 HA GLN A 81 7.444 -2.712 9.788 1.00 0.00 H new ATOM 0 HB2 GLN A 81 9.059 -3.214 11.402 1.00 0.00 H new ATOM 0 HB3 GLN A 81 8.282 -4.759 11.120 1.00 0.00 H new ATOM 0 HG2 GLN A 81 10.832 -3.961 9.699 1.00 0.00 H new ATOM 0 HG3 GLN A 81 10.842 -4.720 11.279 1.00 0.00 H new ATOM 0 HE21 GLN A 81 8.928 -6.684 11.052 1.00 0.00 H new ATOM 0 HE22 GLN A 81 9.377 -7.780 9.740 1.00 0.00 H new ATOM 1105 N GLU A 82 9.900 -3.338 7.691 1.00 0.00 N ATOM 1106 CA GLU A 82 10.858 -2.684 6.803 1.00 0.00 C ATOM 1107 C GLU A 82 10.157 -1.690 5.898 1.00 0.00 C ATOM 1108 O GLU A 82 10.533 -0.520 5.829 1.00 0.00 O ATOM 1109 CB GLU A 82 11.580 -3.718 5.943 1.00 0.00 C ATOM 1110 CG GLU A 82 12.831 -4.276 6.588 1.00 0.00 C ATOM 1111 CD GLU A 82 14.103 -3.724 5.972 1.00 0.00 C ATOM 1112 OE1 GLU A 82 14.503 -2.601 6.341 1.00 0.00 O ATOM 1113 OE2 GLU A 82 14.699 -4.417 5.121 1.00 0.00 O ATOM 0 H GLU A 82 9.846 -4.351 7.586 1.00 0.00 H new ATOM 0 HA GLU A 82 11.583 -2.157 7.424 1.00 0.00 H new ATOM 0 HB2 GLU A 82 10.896 -4.539 5.726 1.00 0.00 H new ATOM 0 HB3 GLU A 82 11.845 -3.263 4.989 1.00 0.00 H new ATOM 0 HG2 GLU A 82 12.819 -4.047 7.654 1.00 0.00 H new ATOM 0 HG3 GLU A 82 12.829 -5.362 6.496 1.00 0.00 H new ATOM 1120 N ALA A 83 9.134 -2.162 5.205 1.00 0.00 N ATOM 1121 CA ALA A 83 8.376 -1.314 4.304 1.00 0.00 C ATOM 1122 C ALA A 83 7.778 -0.153 5.076 1.00 0.00 C ATOM 1123 O ALA A 83 7.651 0.958 4.561 1.00 0.00 O ATOM 1124 CB ALA A 83 7.296 -2.115 3.602 1.00 0.00 C ATOM 0 H ALA A 83 8.810 -3.128 5.250 1.00 0.00 H new ATOM 0 HA ALA A 83 9.044 -0.916 3.540 1.00 0.00 H new ATOM 0 HB1 ALA A 83 6.738 -1.463 2.930 1.00 0.00 H new ATOM 0 HB2 ALA A 83 7.755 -2.920 3.028 1.00 0.00 H new ATOM 0 HB3 ALA A 83 6.618 -2.539 4.343 1.00 0.00 H new ATOM 1130 N MET A 84 7.429 -0.424 6.325 1.00 0.00 N ATOM 1131 CA MET A 84 6.862 0.591 7.194 1.00 0.00 C ATOM 1132 C MET A 84 7.894 1.666 7.498 1.00 0.00 C ATOM 1133 O MET A 84 7.552 2.828 7.717 1.00 0.00 O ATOM 1134 CB MET A 84 6.365 -0.040 8.490 1.00 0.00 C ATOM 1135 CG MET A 84 4.869 -0.260 8.492 1.00 0.00 C ATOM 1136 SD MET A 84 4.365 -1.619 9.555 1.00 0.00 S ATOM 1137 CE MET A 84 3.696 -2.731 8.327 1.00 0.00 C ATOM 0 H MET A 84 7.530 -1.342 6.758 1.00 0.00 H new ATOM 0 HA MET A 84 6.018 1.052 6.682 1.00 0.00 H new ATOM 0 HB2 MET A 84 6.869 -0.994 8.642 1.00 0.00 H new ATOM 0 HB3 MET A 84 6.636 0.601 9.329 1.00 0.00 H new ATOM 0 HG2 MET A 84 4.373 0.654 8.819 1.00 0.00 H new ATOM 0 HG3 MET A 84 4.534 -0.458 7.474 1.00 0.00 H new ATOM 0 HE1 MET A 84 3.597 -3.729 8.755 1.00 0.00 H new ATOM 0 HE2 MET A 84 2.717 -2.374 8.008 1.00 0.00 H new ATOM 0 HE3 MET A 84 4.365 -2.769 7.468 1.00 0.00 H new ATOM 1147 N GLU A 85 9.164 1.270 7.503 1.00 0.00 N ATOM 1148 CA GLU A 85 10.252 2.197 7.772 1.00 0.00 C ATOM 1149 C GLU A 85 10.622 2.947 6.501 1.00 0.00 C ATOM 1150 O GLU A 85 10.805 4.161 6.518 1.00 0.00 O ATOM 1151 CB GLU A 85 11.462 1.448 8.357 1.00 0.00 C ATOM 1152 CG GLU A 85 12.602 1.209 7.374 1.00 0.00 C ATOM 1153 CD GLU A 85 13.796 0.534 8.022 1.00 0.00 C ATOM 1154 OE1 GLU A 85 13.661 -0.634 8.441 1.00 0.00 O ATOM 1155 OE2 GLU A 85 14.865 1.175 8.108 1.00 0.00 O ATOM 0 H GLU A 85 9.462 0.311 7.323 1.00 0.00 H new ATOM 0 HA GLU A 85 9.926 2.927 8.513 1.00 0.00 H new ATOM 0 HB2 GLU A 85 11.846 2.014 9.206 1.00 0.00 H new ATOM 0 HB3 GLU A 85 11.125 0.485 8.741 1.00 0.00 H new ATOM 0 HG2 GLU A 85 12.243 0.593 6.550 1.00 0.00 H new ATOM 0 HG3 GLU A 85 12.915 2.162 6.947 1.00 0.00 H new ATOM 1162 N THR A 86 10.703 2.222 5.393 1.00 0.00 N ATOM 1163 CA THR A 86 11.016 2.842 4.115 1.00 0.00 C ATOM 1164 C THR A 86 9.920 3.843 3.774 1.00 0.00 C ATOM 1165 O THR A 86 10.180 4.908 3.213 1.00 0.00 O ATOM 1166 CB THR A 86 11.152 1.781 3.014 1.00 0.00 C ATOM 1167 OG1 THR A 86 12.487 1.308 2.947 1.00 0.00 O ATOM 1168 CG2 THR A 86 10.773 2.278 1.631 1.00 0.00 C ATOM 0 H THR A 86 10.558 1.213 5.354 1.00 0.00 H new ATOM 0 HA THR A 86 11.972 3.362 4.186 1.00 0.00 H new ATOM 0 HB THR A 86 10.456 0.990 3.293 1.00 0.00 H new ATOM 0 HG1 THR A 86 12.963 1.774 2.228 1.00 0.00 H new ATOM 0 HG21 THR A 86 10.895 1.471 0.908 1.00 0.00 H new ATOM 0 HG22 THR A 86 9.734 2.607 1.635 1.00 0.00 H new ATOM 0 HG23 THR A 86 11.417 3.113 1.355 1.00 0.00 H new ATOM 1176 N LEU A 87 8.693 3.497 4.155 1.00 0.00 N ATOM 1177 CA LEU A 87 7.550 4.364 3.933 1.00 0.00 C ATOM 1178 C LEU A 87 7.666 5.575 4.841 1.00 0.00 C ATOM 1179 O LEU A 87 7.617 6.716 4.385 1.00 0.00 O ATOM 1180 CB LEU A 87 6.244 3.615 4.211 1.00 0.00 C ATOM 1181 CG LEU A 87 5.801 2.657 3.103 1.00 0.00 C ATOM 1182 CD1 LEU A 87 4.631 1.806 3.572 1.00 0.00 C ATOM 1183 CD2 LEU A 87 5.430 3.431 1.847 1.00 0.00 C ATOM 0 H LEU A 87 8.469 2.617 4.621 1.00 0.00 H new ATOM 0 HA LEU A 87 7.538 4.686 2.892 1.00 0.00 H new ATOM 0 HB2 LEU A 87 6.356 3.050 5.136 1.00 0.00 H new ATOM 0 HB3 LEU A 87 5.452 4.345 4.378 1.00 0.00 H new ATOM 0 HG LEU A 87 6.634 1.995 2.865 1.00 0.00 H new ATOM 0 HD11 LEU A 87 4.329 1.130 2.772 1.00 0.00 H new ATOM 0 HD12 LEU A 87 4.930 1.225 4.444 1.00 0.00 H new ATOM 0 HD13 LEU A 87 3.794 2.452 3.837 1.00 0.00 H new ATOM 0 HD21 LEU A 87 5.117 2.734 1.069 1.00 0.00 H new ATOM 0 HD22 LEU A 87 4.612 4.116 2.070 1.00 0.00 H new ATOM 0 HD23 LEU A 87 6.294 3.998 1.500 1.00 0.00 H new ATOM 1195 N ARG A 88 7.854 5.315 6.133 1.00 0.00 N ATOM 1196 CA ARG A 88 8.013 6.385 7.104 1.00 0.00 C ATOM 1197 C ARG A 88 9.228 7.231 6.735 1.00 0.00 C ATOM 1198 O ARG A 88 9.286 8.424 7.030 1.00 0.00 O ATOM 1199 CB ARG A 88 8.143 5.818 8.528 1.00 0.00 C ATOM 1200 CG ARG A 88 9.575 5.609 9.002 1.00 0.00 C ATOM 1201 CD ARG A 88 9.617 5.111 10.438 1.00 0.00 C ATOM 1202 NE ARG A 88 10.883 4.452 10.752 1.00 0.00 N ATOM 1203 CZ ARG A 88 12.016 5.105 11.001 1.00 0.00 C ATOM 1204 NH1 ARG A 88 12.047 6.431 10.976 1.00 0.00 N ATOM 1205 NH2 ARG A 88 13.123 4.429 11.278 1.00 0.00 N ATOM 0 H ARG A 88 7.899 4.375 6.527 1.00 0.00 H new ATOM 0 HA ARG A 88 7.126 7.018 7.086 1.00 0.00 H new ATOM 0 HB2 ARG A 88 7.641 6.493 9.220 1.00 0.00 H new ATOM 0 HB3 ARG A 88 7.617 4.865 8.574 1.00 0.00 H new ATOM 0 HG2 ARG A 88 10.074 4.891 8.351 1.00 0.00 H new ATOM 0 HG3 ARG A 88 10.126 6.546 8.924 1.00 0.00 H new ATOM 0 HD2 ARG A 88 9.467 5.950 11.117 1.00 0.00 H new ATOM 0 HD3 ARG A 88 8.795 4.415 10.605 1.00 0.00 H new ATOM 0 HE ARG A 88 10.899 3.433 10.782 1.00 0.00 H new ATOM 0 HH11 ARG A 88 11.199 6.957 10.765 1.00 0.00 H new ATOM 0 HH12 ARG A 88 12.919 6.924 11.168 1.00 0.00 H new ATOM 0 HH21 ARG A 88 13.106 3.409 11.300 1.00 0.00 H new ATOM 0 HH22 ARG A 88 13.991 4.929 11.469 1.00 0.00 H new ATOM 1219 N ARG A 89 10.189 6.597 6.066 1.00 0.00 N ATOM 1220 CA ARG A 89 11.400 7.277 5.630 1.00 0.00 C ATOM 1221 C ARG A 89 11.092 8.220 4.481 1.00 0.00 C ATOM 1222 O ARG A 89 11.439 9.400 4.515 1.00 0.00 O ATOM 1223 CB ARG A 89 12.454 6.260 5.190 1.00 0.00 C ATOM 1224 CG ARG A 89 13.612 6.138 6.159 1.00 0.00 C ATOM 1225 CD ARG A 89 14.855 5.593 5.478 1.00 0.00 C ATOM 1226 NE ARG A 89 16.074 6.236 5.967 1.00 0.00 N ATOM 1227 CZ ARG A 89 16.525 6.116 7.213 1.00 0.00 C ATOM 1228 NH1 ARG A 89 15.867 5.377 8.098 1.00 0.00 N ATOM 1229 NH2 ARG A 89 17.640 6.737 7.576 1.00 0.00 N ATOM 0 H ARG A 89 10.149 5.609 5.815 1.00 0.00 H new ATOM 0 HA ARG A 89 11.789 7.853 6.470 1.00 0.00 H new ATOM 0 HB2 ARG A 89 11.982 5.284 5.075 1.00 0.00 H new ATOM 0 HB3 ARG A 89 12.838 6.546 4.211 1.00 0.00 H new ATOM 0 HG2 ARG A 89 13.831 7.115 6.590 1.00 0.00 H new ATOM 0 HG3 ARG A 89 13.330 5.482 6.983 1.00 0.00 H new ATOM 0 HD2 ARG A 89 14.919 4.518 5.647 1.00 0.00 H new ATOM 0 HD3 ARG A 89 14.773 5.742 4.401 1.00 0.00 H new ATOM 0 HE ARG A 89 16.609 6.810 5.315 1.00 0.00 H new ATOM 0 HH11 ARG A 89 15.010 4.897 7.825 1.00 0.00 H new ATOM 0 HH12 ARG A 89 16.219 5.290 9.051 1.00 0.00 H new ATOM 0 HH21 ARG A 89 18.150 7.306 6.900 1.00 0.00 H new ATOM 0 HH22 ARG A 89 17.987 6.646 8.531 1.00 0.00 H new ATOM 1243 N SER A 90 10.437 7.684 3.459 1.00 0.00 N ATOM 1244 CA SER A 90 10.083 8.470 2.291 1.00 0.00 C ATOM 1245 C SER A 90 9.145 9.609 2.668 1.00 0.00 C ATOM 1246 O SER A 90 9.159 10.671 2.045 1.00 0.00 O ATOM 1247 CB SER A 90 9.433 7.584 1.227 1.00 0.00 C ATOM 1248 OG SER A 90 10.344 6.610 0.747 1.00 0.00 O ATOM 0 H SER A 90 10.142 6.709 3.418 1.00 0.00 H new ATOM 0 HA SER A 90 10.998 8.898 1.882 1.00 0.00 H new ATOM 0 HB2 SER A 90 8.556 7.091 1.646 1.00 0.00 H new ATOM 0 HB3 SER A 90 9.086 8.201 0.398 1.00 0.00 H new ATOM 0 HG SER A 90 10.459 5.909 1.422 1.00 0.00 H new ATOM 1254 N MET A 91 8.332 9.381 3.692 1.00 0.00 N ATOM 1255 CA MET A 91 7.386 10.387 4.154 1.00 0.00 C ATOM 1256 C MET A 91 8.026 11.298 5.203 1.00 0.00 C ATOM 1257 O MET A 91 7.493 12.364 5.516 1.00 0.00 O ATOM 1258 CB MET A 91 6.140 9.715 4.741 1.00 0.00 C ATOM 1259 CG MET A 91 5.650 8.520 3.937 1.00 0.00 C ATOM 1260 SD MET A 91 4.170 8.882 2.976 1.00 0.00 S ATOM 1261 CE MET A 91 4.366 7.735 1.616 1.00 0.00 C ATOM 0 H MET A 91 8.309 8.507 4.218 1.00 0.00 H new ATOM 0 HA MET A 91 7.095 10.995 3.298 1.00 0.00 H new ATOM 0 HB2 MET A 91 6.359 9.391 5.759 1.00 0.00 H new ATOM 0 HB3 MET A 91 5.338 10.451 4.806 1.00 0.00 H new ATOM 0 HG2 MET A 91 6.442 8.191 3.265 1.00 0.00 H new ATOM 0 HG3 MET A 91 5.443 7.692 4.615 1.00 0.00 H new ATOM 0 HE1 MET A 91 4.236 8.264 0.672 1.00 0.00 H new ATOM 0 HE2 MET A 91 5.363 7.296 1.651 1.00 0.00 H new ATOM 0 HE3 MET A 91 3.619 6.946 1.695 1.00 0.00 H new ATOM 1271 N SER A 92 9.160 10.870 5.753 1.00 0.00 N ATOM 1272 CA SER A 92 9.853 11.648 6.774 1.00 0.00 C ATOM 1273 C SER A 92 10.878 12.604 6.170 1.00 0.00 C ATOM 1274 O SER A 92 10.933 13.776 6.540 1.00 0.00 O ATOM 1275 CB SER A 92 10.543 10.715 7.771 1.00 0.00 C ATOM 1276 OG SER A 92 9.622 10.217 8.726 1.00 0.00 O ATOM 0 H SER A 92 9.617 9.991 5.509 1.00 0.00 H new ATOM 0 HA SER A 92 9.102 12.247 7.289 1.00 0.00 H new ATOM 0 HB2 SER A 92 11.003 9.884 7.237 1.00 0.00 H new ATOM 0 HB3 SER A 92 11.345 11.250 8.279 1.00 0.00 H new ATOM 0 HG SER A 92 9.044 9.548 8.305 1.00 0.00 H new ATOM 1282 N THR A 93 11.704 12.100 5.259 1.00 0.00 N ATOM 1283 CA THR A 93 12.737 12.929 4.638 1.00 0.00 C ATOM 1284 C THR A 93 13.483 12.181 3.534 1.00 0.00 C ATOM 1285 O THR A 93 14.668 11.880 3.672 1.00 0.00 O ATOM 1286 CB THR A 93 13.732 13.376 5.703 1.00 0.00 C ATOM 1287 OG1 THR A 93 14.727 14.217 5.145 1.00 0.00 O ATOM 1288 CG2 THR A 93 14.430 12.210 6.368 1.00 0.00 C ATOM 0 H THR A 93 11.682 11.133 4.935 1.00 0.00 H new ATOM 0 HA THR A 93 12.246 13.791 4.186 1.00 0.00 H new ATOM 0 HB THR A 93 13.148 13.914 6.450 1.00 0.00 H new ATOM 0 HG1 THR A 93 15.242 13.716 4.479 1.00 0.00 H new ATOM 0 HG21 THR A 93 15.128 12.583 7.118 1.00 0.00 H new ATOM 0 HG22 THR A 93 13.690 11.569 6.848 1.00 0.00 H new ATOM 0 HG23 THR A 93 14.976 11.637 5.618 1.00 0.00 H new ATOM 1296 N GLU A 94 12.790 11.902 2.437 1.00 0.00 N ATOM 1297 CA GLU A 94 13.382 11.205 1.302 1.00 0.00 C ATOM 1298 C GLU A 94 12.425 11.247 0.129 1.00 0.00 C ATOM 1299 O GLU A 94 12.790 11.645 -0.977 1.00 0.00 O ATOM 1300 CB GLU A 94 13.696 9.750 1.659 1.00 0.00 C ATOM 1301 CG GLU A 94 14.930 9.589 2.521 1.00 0.00 C ATOM 1302 CD GLU A 94 15.644 8.273 2.283 1.00 0.00 C ATOM 1303 OE1 GLU A 94 14.981 7.308 1.846 1.00 0.00 O ATOM 1304 OE2 GLU A 94 16.866 8.205 2.535 1.00 0.00 O ATOM 0 H GLU A 94 11.809 12.150 2.309 1.00 0.00 H new ATOM 0 HA GLU A 94 14.315 11.703 1.036 1.00 0.00 H new ATOM 0 HB2 GLU A 94 12.841 9.320 2.180 1.00 0.00 H new ATOM 0 HB3 GLU A 94 13.829 9.180 0.740 1.00 0.00 H new ATOM 0 HG2 GLU A 94 15.617 10.411 2.321 1.00 0.00 H new ATOM 0 HG3 GLU A 94 14.646 9.659 3.571 1.00 0.00 H new ATOM 1311 N GLY A 95 11.189 10.862 0.394 1.00 0.00 N ATOM 1312 CA GLY A 95 10.173 10.891 -0.628 1.00 0.00 C ATOM 1313 C GLY A 95 9.705 12.305 -0.860 1.00 0.00 C ATOM 1314 O GLY A 95 9.351 12.680 -1.975 1.00 0.00 O ATOM 0 H GLY A 95 10.872 10.528 1.304 1.00 0.00 H new ATOM 0 HA2 GLY A 95 10.568 10.475 -1.555 1.00 0.00 H new ATOM 0 HA3 GLY A 95 9.331 10.266 -0.331 1.00 0.00 H new ATOM 1318 N ASN A 96 9.728 13.097 0.209 1.00 0.00 N ATOM 1319 CA ASN A 96 9.328 14.492 0.141 1.00 0.00 C ATOM 1320 C ASN A 96 10.460 15.318 -0.473 1.00 0.00 C ATOM 1321 O ASN A 96 10.569 15.410 -1.693 1.00 0.00 O ATOM 1322 CB ASN A 96 8.971 15.009 1.543 1.00 0.00 C ATOM 1323 CG ASN A 96 8.806 16.518 1.597 1.00 0.00 C ATOM 1324 OD1 ASN A 96 8.289 17.097 0.519 1.00 0.00 O flip ATOM 1325 ND2 ASN A 96 9.140 17.153 2.596 1.00 0.00 N flip ATOM 0 H ASN A 96 10.022 12.790 1.136 1.00 0.00 H new ATOM 0 HA ASN A 96 8.444 14.587 -0.489 1.00 0.00 H new ATOM 0 HB2 ASN A 96 8.046 14.536 1.874 1.00 0.00 H new ATOM 0 HB3 ASN A 96 9.750 14.709 2.244 1.00 0.00 H new ATOM 0 HD21 ASN A 96 9.533 16.666 3.402 1.00 0.00 H new ATOM 0 HD22 ASN A 96 9.024 18.166 2.619 1.00 0.00 H new ATOM 1332 N LYS A 97 11.307 15.893 0.387 1.00 0.00 N ATOM 1333 CA LYS A 97 12.451 16.700 -0.042 1.00 0.00 C ATOM 1334 C LYS A 97 12.194 17.451 -1.353 1.00 0.00 C ATOM 1335 O LYS A 97 13.110 17.648 -2.151 1.00 0.00 O ATOM 1336 CB LYS A 97 13.696 15.815 -0.171 1.00 0.00 C ATOM 1337 CG LYS A 97 13.440 14.485 -0.854 1.00 0.00 C ATOM 1338 CD LYS A 97 13.381 14.641 -2.362 1.00 0.00 C ATOM 1339 CE LYS A 97 13.176 13.307 -3.060 1.00 0.00 C ATOM 1340 NZ LYS A 97 13.343 13.420 -4.535 1.00 0.00 N ATOM 0 H LYS A 97 11.218 15.811 1.400 1.00 0.00 H new ATOM 0 HA LYS A 97 12.613 17.457 0.725 1.00 0.00 H new ATOM 0 HB2 LYS A 97 14.459 16.358 -0.730 1.00 0.00 H new ATOM 0 HB3 LYS A 97 14.101 15.629 0.824 1.00 0.00 H new ATOM 0 HG2 LYS A 97 14.229 13.781 -0.590 1.00 0.00 H new ATOM 0 HG3 LYS A 97 12.502 14.063 -0.493 1.00 0.00 H new ATOM 0 HD2 LYS A 97 12.568 15.318 -2.626 1.00 0.00 H new ATOM 0 HD3 LYS A 97 14.305 15.098 -2.716 1.00 0.00 H new ATOM 0 HE2 LYS A 97 13.887 12.580 -2.669 1.00 0.00 H new ATOM 0 HE3 LYS A 97 12.178 12.930 -2.836 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 12.546 12.951 -5.012 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 13.366 14.424 -4.806 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 14.233 12.964 -4.819 1.00 0.00 H new ATOM 1354 N ARG A 98 10.945 17.870 -1.573 1.00 0.00 N ATOM 1355 CA ARG A 98 10.587 18.594 -2.782 1.00 0.00 C ATOM 1356 C ARG A 98 9.134 19.071 -2.743 1.00 0.00 C ATOM 1357 O ARG A 98 8.803 20.127 -3.283 1.00 0.00 O ATOM 1358 CB ARG A 98 10.827 17.710 -4.007 1.00 0.00 C ATOM 1359 CG ARG A 98 9.777 16.625 -4.209 1.00 0.00 C ATOM 1360 CD ARG A 98 10.411 15.257 -4.406 1.00 0.00 C ATOM 1361 NE ARG A 98 10.192 14.739 -5.755 1.00 0.00 N ATOM 1362 CZ ARG A 98 10.894 15.123 -6.818 1.00 0.00 C ATOM 1363 NH1 ARG A 98 11.860 16.025 -6.695 1.00 0.00 N ATOM 1364 NH2 ARG A 98 10.631 14.602 -8.009 1.00 0.00 N ATOM 0 H ARG A 98 10.170 17.718 -0.927 1.00 0.00 H new ATOM 0 HA ARG A 98 11.220 19.479 -2.847 1.00 0.00 H new ATOM 0 HB2 ARG A 98 10.858 18.340 -4.896 1.00 0.00 H new ATOM 0 HB3 ARG A 98 11.806 17.240 -3.916 1.00 0.00 H new ATOM 0 HG2 ARG A 98 9.112 16.597 -3.346 1.00 0.00 H new ATOM 0 HG3 ARG A 98 9.163 16.870 -5.076 1.00 0.00 H new ATOM 0 HD2 ARG A 98 11.482 15.323 -4.213 1.00 0.00 H new ATOM 0 HD3 ARG A 98 9.998 14.558 -3.678 1.00 0.00 H new ATOM 0 HE ARG A 98 9.459 14.043 -5.889 1.00 0.00 H new ATOM 0 HH11 ARG A 98 12.068 16.428 -5.781 1.00 0.00 H new ATOM 0 HH12 ARG A 98 12.394 16.315 -7.514 1.00 0.00 H new ATOM 0 HH21 ARG A 98 9.891 13.907 -8.110 1.00 0.00 H new ATOM 0 HH22 ARG A 98 11.169 14.896 -8.824 1.00 0.00 H new ATOM 1378 N GLY A 99 8.274 18.283 -2.109 1.00 0.00 N ATOM 1379 CA GLY A 99 6.867 18.630 -2.016 1.00 0.00 C ATOM 1380 C GLY A 99 5.972 17.551 -2.593 1.00 0.00 C ATOM 1381 O GLY A 99 4.813 17.805 -2.920 1.00 0.00 O ATOM 0 H GLY A 99 8.527 17.405 -1.655 1.00 0.00 H new ATOM 0 HA2 GLY A 99 6.604 18.798 -0.972 1.00 0.00 H new ATOM 0 HA3 GLY A 99 6.690 19.567 -2.544 1.00 0.00 H new ATOM 1385 N MET A 100 6.519 16.344 -2.721 1.00 0.00 N ATOM 1386 CA MET A 100 5.785 15.213 -3.266 1.00 0.00 C ATOM 1387 C MET A 100 6.641 13.949 -3.256 1.00 0.00 C ATOM 1388 O MET A 100 7.864 14.022 -3.175 1.00 0.00 O ATOM 1389 CB MET A 100 5.331 15.527 -4.691 1.00 0.00 C ATOM 1390 CG MET A 100 6.443 15.445 -5.727 1.00 0.00 C ATOM 1391 SD MET A 100 5.942 14.557 -7.215 1.00 0.00 S ATOM 1392 CE MET A 100 5.297 13.046 -6.503 1.00 0.00 C ATOM 0 H MET A 100 7.478 16.127 -2.450 1.00 0.00 H new ATOM 0 HA MET A 100 4.911 15.036 -2.639 1.00 0.00 H new ATOM 0 HB2 MET A 100 4.537 14.834 -4.969 1.00 0.00 H new ATOM 0 HB3 MET A 100 4.902 16.529 -4.712 1.00 0.00 H new ATOM 0 HG2 MET A 100 6.757 16.453 -5.998 1.00 0.00 H new ATOM 0 HG3 MET A 100 7.308 14.950 -5.287 1.00 0.00 H new ATOM 0 HE1 MET A 100 5.262 12.270 -7.267 1.00 0.00 H new ATOM 0 HE2 MET A 100 5.944 12.723 -5.687 1.00 0.00 H new ATOM 0 HE3 MET A 100 4.292 13.224 -6.120 1.00 0.00 H new ATOM 1402 N ILE A 101 5.989 12.793 -3.351 1.00 0.00 N ATOM 1403 CA ILE A 101 6.694 11.513 -3.360 1.00 0.00 C ATOM 1404 C ILE A 101 5.975 10.501 -4.250 1.00 0.00 C ATOM 1405 O ILE A 101 4.748 10.505 -4.345 1.00 0.00 O ATOM 1406 CB ILE A 101 6.871 10.943 -1.924 1.00 0.00 C ATOM 1407 CG1 ILE A 101 6.292 9.530 -1.793 1.00 0.00 C ATOM 1408 CG2 ILE A 101 6.237 11.864 -0.893 1.00 0.00 C ATOM 1409 CD1 ILE A 101 6.463 8.943 -0.410 1.00 0.00 C ATOM 0 H ILE A 101 4.974 12.716 -3.423 1.00 0.00 H new ATOM 0 HA ILE A 101 7.687 11.694 -3.771 1.00 0.00 H new ATOM 0 HB ILE A 101 7.943 10.884 -1.735 1.00 0.00 H new ATOM 0 HG12 ILE A 101 5.231 9.554 -2.042 1.00 0.00 H new ATOM 0 HG13 ILE A 101 6.775 8.877 -2.520 1.00 0.00 H new ATOM 0 HG21 ILE A 101 6.374 11.444 0.103 1.00 0.00 H new ATOM 0 HG22 ILE A 101 6.710 12.845 -0.941 1.00 0.00 H new ATOM 0 HG23 ILE A 101 5.172 11.965 -1.101 1.00 0.00 H new ATOM 0 HD11 ILE A 101 6.032 7.942 -0.384 1.00 0.00 H new ATOM 0 HD12 ILE A 101 7.524 8.888 -0.167 1.00 0.00 H new ATOM 0 HD13 ILE A 101 5.956 9.575 0.319 1.00 0.00 H new ATOM 1421 N GLN A 102 6.750 9.637 -4.901 1.00 0.00 N ATOM 1422 CA GLN A 102 6.190 8.621 -5.783 1.00 0.00 C ATOM 1423 C GLN A 102 5.885 7.345 -5.008 1.00 0.00 C ATOM 1424 O GLN A 102 6.595 6.994 -4.066 1.00 0.00 O ATOM 1425 CB GLN A 102 7.162 8.316 -6.925 1.00 0.00 C ATOM 1426 CG GLN A 102 6.965 9.202 -8.144 1.00 0.00 C ATOM 1427 CD GLN A 102 5.803 8.756 -9.008 1.00 0.00 C ATOM 1428 OE1 GLN A 102 4.868 8.113 -8.529 1.00 0.00 O ATOM 1429 NE2 GLN A 102 5.855 9.093 -10.292 1.00 0.00 N ATOM 0 H GLN A 102 7.768 9.622 -4.833 1.00 0.00 H new ATOM 0 HA GLN A 102 5.260 9.007 -6.200 1.00 0.00 H new ATOM 0 HB2 GLN A 102 8.183 8.433 -6.563 1.00 0.00 H new ATOM 0 HB3 GLN A 102 7.046 7.273 -7.221 1.00 0.00 H new ATOM 0 HG2 GLN A 102 6.798 10.229 -7.819 1.00 0.00 H new ATOM 0 HG3 GLN A 102 7.877 9.201 -8.740 1.00 0.00 H new ATOM 0 HE21 GLN A 102 6.648 9.626 -10.648 1.00 0.00 H new ATOM 0 HE22 GLN A 102 5.102 8.818 -10.922 1.00 0.00 H new ATOM 1438 N LEU A 103 4.824 6.654 -5.408 1.00 0.00 N ATOM 1439 CA LEU A 103 4.427 5.419 -4.745 1.00 0.00 C ATOM 1440 C LEU A 103 3.833 4.427 -5.739 1.00 0.00 C ATOM 1441 O LEU A 103 2.922 4.761 -6.496 1.00 0.00 O ATOM 1442 CB LEU A 103 3.418 5.715 -3.636 1.00 0.00 C ATOM 1443 CG LEU A 103 4.024 6.224 -2.326 1.00 0.00 C ATOM 1444 CD1 LEU A 103 3.135 7.288 -1.701 1.00 0.00 C ATOM 1445 CD2 LEU A 103 4.242 5.072 -1.356 1.00 0.00 C ATOM 0 H LEU A 103 4.225 6.928 -6.187 1.00 0.00 H new ATOM 0 HA LEU A 103 5.319 4.971 -4.307 1.00 0.00 H new ATOM 0 HB2 LEU A 103 2.707 6.456 -4.001 1.00 0.00 H new ATOM 0 HB3 LEU A 103 2.853 4.806 -3.428 1.00 0.00 H new ATOM 0 HG LEU A 103 4.991 6.675 -2.548 1.00 0.00 H new ATOM 0 HD11 LEU A 103 3.584 7.637 -0.771 1.00 0.00 H new ATOM 0 HD12 LEU A 103 3.031 8.126 -2.390 1.00 0.00 H new ATOM 0 HD13 LEU A 103 2.152 6.865 -1.493 1.00 0.00 H new ATOM 0 HD21 LEU A 103 4.673 5.453 -0.430 1.00 0.00 H new ATOM 0 HD22 LEU A 103 3.287 4.592 -1.141 1.00 0.00 H new ATOM 0 HD23 LEU A 103 4.922 4.345 -1.801 1.00 0.00 H new ATOM 1457 N ILE A 104 4.353 3.204 -5.721 1.00 0.00 N ATOM 1458 CA ILE A 104 3.873 2.154 -6.609 1.00 0.00 C ATOM 1459 C ILE A 104 3.058 1.129 -5.836 1.00 0.00 C ATOM 1460 O ILE A 104 3.377 0.800 -4.693 1.00 0.00 O ATOM 1461 CB ILE A 104 5.032 1.440 -7.330 1.00 0.00 C ATOM 1462 CG1 ILE A 104 5.860 2.445 -8.126 1.00 0.00 C ATOM 1463 CG2 ILE A 104 4.503 0.344 -8.246 1.00 0.00 C ATOM 1464 CD1 ILE A 104 5.039 3.289 -9.078 1.00 0.00 C ATOM 0 H ILE A 104 5.109 2.916 -5.099 1.00 0.00 H new ATOM 0 HA ILE A 104 3.244 2.634 -7.358 1.00 0.00 H new ATOM 0 HB ILE A 104 5.672 0.978 -6.578 1.00 0.00 H new ATOM 0 HG12 ILE A 104 6.384 3.102 -7.432 1.00 0.00 H new ATOM 0 HG13 ILE A 104 6.620 1.908 -8.693 1.00 0.00 H new ATOM 0 HG21 ILE A 104 5.338 -0.147 -8.745 1.00 0.00 H new ATOM 0 HG22 ILE A 104 3.951 -0.388 -7.656 1.00 0.00 H new ATOM 0 HG23 ILE A 104 3.841 0.782 -8.993 1.00 0.00 H new ATOM 0 HD11 ILE A 104 5.694 3.980 -9.609 1.00 0.00 H new ATOM 0 HD12 ILE A 104 4.535 2.642 -9.796 1.00 0.00 H new ATOM 0 HD13 ILE A 104 4.296 3.854 -8.515 1.00 0.00 H new ATOM 1476 N VAL A 105 2.005 0.630 -6.466 1.00 0.00 N ATOM 1477 CA VAL A 105 1.139 -0.356 -5.833 1.00 0.00 C ATOM 1478 C VAL A 105 0.683 -1.422 -6.823 1.00 0.00 C ATOM 1479 O VAL A 105 1.053 -1.396 -7.997 1.00 0.00 O ATOM 1480 CB VAL A 105 -0.106 0.302 -5.208 1.00 0.00 C ATOM 1481 CG1 VAL A 105 0.282 1.178 -4.027 1.00 0.00 C ATOM 1482 CG2 VAL A 105 -0.866 1.105 -6.254 1.00 0.00 C ATOM 0 H VAL A 105 1.729 0.890 -7.413 1.00 0.00 H new ATOM 0 HA VAL A 105 1.733 -0.824 -5.048 1.00 0.00 H new ATOM 0 HB VAL A 105 -0.763 -0.486 -4.840 1.00 0.00 H new ATOM 0 HG11 VAL A 105 -0.613 1.632 -3.602 1.00 0.00 H new ATOM 0 HG12 VAL A 105 0.775 0.569 -3.269 1.00 0.00 H new ATOM 0 HG13 VAL A 105 0.962 1.961 -4.363 1.00 0.00 H new ATOM 0 HG21 VAL A 105 -1.742 1.563 -5.795 1.00 0.00 H new ATOM 0 HG22 VAL A 105 -0.218 1.884 -6.656 1.00 0.00 H new ATOM 0 HG23 VAL A 105 -1.182 0.444 -7.061 1.00 0.00 H new ATOM 1492 N ALA A 106 -0.131 -2.352 -6.337 1.00 0.00 N ATOM 1493 CA ALA A 106 -0.656 -3.429 -7.162 1.00 0.00 C ATOM 1494 C ALA A 106 -2.142 -3.633 -6.891 1.00 0.00 C ATOM 1495 O ALA A 106 -2.614 -3.426 -5.769 1.00 0.00 O ATOM 1496 CB ALA A 106 0.113 -4.716 -6.909 1.00 0.00 C ATOM 0 H ALA A 106 -0.443 -2.380 -5.366 1.00 0.00 H new ATOM 0 HA ALA A 106 -0.532 -3.153 -8.209 1.00 0.00 H new ATOM 0 HB1 ALA A 106 -0.293 -5.511 -7.534 1.00 0.00 H new ATOM 0 HB2 ALA A 106 1.165 -4.565 -7.151 1.00 0.00 H new ATOM 0 HB3 ALA A 106 0.019 -4.996 -5.860 1.00 0.00 H new ATOM 1502 N ARG A 107 -2.879 -4.033 -7.923 1.00 0.00 N ATOM 1503 CA ARG A 107 -4.313 -4.257 -7.796 1.00 0.00 C ATOM 1504 C ARG A 107 -4.703 -5.639 -8.308 1.00 0.00 C ATOM 1505 O ARG A 107 -4.463 -5.972 -9.468 1.00 0.00 O ATOM 1506 CB ARG A 107 -5.083 -3.183 -8.565 1.00 0.00 C ATOM 1507 CG ARG A 107 -6.225 -2.572 -7.773 1.00 0.00 C ATOM 1508 CD ARG A 107 -6.051 -1.071 -7.612 1.00 0.00 C ATOM 1509 NE ARG A 107 -6.658 -0.579 -6.378 1.00 0.00 N ATOM 1510 CZ ARG A 107 -7.971 -0.559 -6.156 1.00 0.00 C ATOM 1511 NH1 ARG A 107 -8.816 -0.985 -7.087 1.00 0.00 N ATOM 1512 NH2 ARG A 107 -8.440 -0.110 -5.001 1.00 0.00 N ATOM 0 H ARG A 107 -2.506 -4.208 -8.856 1.00 0.00 H new ATOM 0 HA ARG A 107 -4.570 -4.200 -6.738 1.00 0.00 H new ATOM 0 HB2 ARG A 107 -4.392 -2.393 -8.860 1.00 0.00 H new ATOM 0 HB3 ARG A 107 -5.480 -3.618 -9.482 1.00 0.00 H new ATOM 0 HG2 ARG A 107 -7.169 -2.778 -8.277 1.00 0.00 H new ATOM 0 HG3 ARG A 107 -6.279 -3.040 -6.790 1.00 0.00 H new ATOM 0 HD2 ARG A 107 -4.989 -0.827 -7.616 1.00 0.00 H new ATOM 0 HD3 ARG A 107 -6.499 -0.561 -8.465 1.00 0.00 H new ATOM 0 HE ARG A 107 -6.041 -0.231 -5.644 1.00 0.00 H new ATOM 0 HH11 ARG A 107 -8.461 -1.330 -7.979 1.00 0.00 H new ATOM 0 HH12 ARG A 107 -9.820 -0.967 -6.911 1.00 0.00 H new ATOM 0 HH21 ARG A 107 -7.796 0.220 -4.283 1.00 0.00 H new ATOM 0 HH22 ARG A 107 -9.445 -0.094 -4.830 1.00 0.00 H new ATOM 1526 N ARG A 108 -5.317 -6.435 -7.439 1.00 0.00 N ATOM 1527 CA ARG A 108 -5.750 -7.775 -7.808 1.00 0.00 C ATOM 1528 C ARG A 108 -7.043 -7.718 -8.615 1.00 0.00 C ATOM 1529 O ARG A 108 -7.986 -7.022 -8.243 1.00 0.00 O ATOM 1530 CB ARG A 108 -5.951 -8.631 -6.554 1.00 0.00 C ATOM 1531 CG ARG A 108 -5.501 -10.073 -6.723 1.00 0.00 C ATOM 1532 CD ARG A 108 -6.392 -10.822 -7.700 1.00 0.00 C ATOM 1533 NE ARG A 108 -6.685 -12.179 -7.244 1.00 0.00 N ATOM 1534 CZ ARG A 108 -7.517 -12.460 -6.244 1.00 0.00 C ATOM 1535 NH1 ARG A 108 -8.136 -11.484 -5.592 1.00 0.00 N ATOM 1536 NH2 ARG A 108 -7.730 -13.722 -5.895 1.00 0.00 N ATOM 0 H ARG A 108 -5.525 -6.174 -6.475 1.00 0.00 H new ATOM 0 HA ARG A 108 -4.975 -8.229 -8.426 1.00 0.00 H new ATOM 0 HB2 ARG A 108 -5.402 -8.182 -5.726 1.00 0.00 H new ATOM 0 HB3 ARG A 108 -7.006 -8.618 -6.281 1.00 0.00 H new ATOM 0 HG2 ARG A 108 -4.471 -10.095 -7.078 1.00 0.00 H new ATOM 0 HG3 ARG A 108 -5.516 -10.576 -5.756 1.00 0.00 H new ATOM 0 HD2 ARG A 108 -7.325 -10.275 -7.832 1.00 0.00 H new ATOM 0 HD3 ARG A 108 -5.906 -10.864 -8.675 1.00 0.00 H new ATOM 0 HE ARG A 108 -6.225 -12.956 -7.719 1.00 0.00 H new ATOM 0 HH11 ARG A 108 -7.975 -10.512 -5.856 1.00 0.00 H new ATOM 0 HH12 ARG A 108 -8.773 -11.706 -4.826 1.00 0.00 H new ATOM 0 HH21 ARG A 108 -7.256 -14.476 -6.393 1.00 0.00 H new ATOM 0 HH22 ARG A 108 -8.367 -13.939 -5.129 1.00 0.00 H new ATOM 1550 N ILE A 109 -7.078 -8.449 -9.724 1.00 0.00 N ATOM 1551 CA ILE A 109 -8.255 -8.475 -10.585 1.00 0.00 C ATOM 1552 C ILE A 109 -9.211 -9.590 -10.171 1.00 0.00 C ATOM 1553 O ILE A 109 -8.838 -10.493 -9.424 1.00 0.00 O ATOM 1554 CB ILE A 109 -7.872 -8.665 -12.069 1.00 0.00 C ATOM 1555 CG1 ILE A 109 -6.590 -7.893 -12.399 1.00 0.00 C ATOM 1556 CG2 ILE A 109 -9.014 -8.222 -12.973 1.00 0.00 C ATOM 1557 CD1 ILE A 109 -6.771 -6.391 -12.416 1.00 0.00 C ATOM 0 H ILE A 109 -6.305 -9.031 -10.048 1.00 0.00 H new ATOM 0 HA ILE A 109 -8.749 -7.510 -10.470 1.00 0.00 H new ATOM 0 HB ILE A 109 -7.685 -9.725 -12.244 1.00 0.00 H new ATOM 0 HG12 ILE A 109 -5.824 -8.149 -11.667 1.00 0.00 H new ATOM 0 HG13 ILE A 109 -6.222 -8.217 -13.373 1.00 0.00 H new ATOM 0 HG21 ILE A 109 -8.728 -8.362 -14.015 1.00 0.00 H new ATOM 0 HG22 ILE A 109 -9.901 -8.817 -12.757 1.00 0.00 H new ATOM 0 HG23 ILE A 109 -9.231 -7.169 -12.795 1.00 0.00 H new ATOM 0 HD11 ILE A 109 -5.822 -5.913 -12.657 1.00 0.00 H new ATOM 0 HD12 ILE A 109 -7.513 -6.122 -13.168 1.00 0.00 H new ATOM 0 HD13 ILE A 109 -7.109 -6.054 -11.436 1.00 0.00 H new ATOM 1569 N SER A 110 -10.445 -9.521 -10.664 1.00 0.00 N ATOM 1570 CA SER A 110 -11.457 -10.524 -10.345 1.00 0.00 C ATOM 1571 C SER A 110 -11.822 -10.480 -8.865 1.00 0.00 C ATOM 1572 O SER A 110 -11.021 -10.849 -8.005 1.00 0.00 O ATOM 1573 CB SER A 110 -10.962 -11.923 -10.725 1.00 0.00 C ATOM 1574 OG SER A 110 -10.224 -12.513 -9.669 1.00 0.00 O ATOM 0 H SER A 110 -10.768 -8.780 -11.286 1.00 0.00 H new ATOM 0 HA SER A 110 -12.351 -10.297 -10.925 1.00 0.00 H new ATOM 0 HB2 SER A 110 -11.813 -12.557 -10.975 1.00 0.00 H new ATOM 0 HB3 SER A 110 -10.338 -11.861 -11.617 1.00 0.00 H new ATOM 0 HG SER A 110 -9.918 -11.814 -9.054 1.00 0.00 H new TER 1580 SER A 110