USER MOD reduce.3.24.130724 H: found=0, std=0, add=928, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 928 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 80 GLN :FLIP amide:sc= 0.922 F(o=0.8!,f=2.2) USER MOD Set 1.2: A 100 SER OG : rot -32:sc= 1.25 USER MOD Set 2.1: A 17 TYR OH : rot -150:sc= 1.04 USER MOD Set 2.2: A 86 LYS NZ :NH3+ -165:sc= 1.82 (180deg=0.893) USER MOD Set 2.3: A 88 TYR OH : rot 90:sc= 2.07 USER MOD Single : A 1 GLY N :NH3+ -131:sc= 0.164 (180deg=0) USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 LYS NZ :NH3+ 167:sc=-0.00829 (180deg=-0.146) USER MOD Single : A 16 ASN : amide:sc= -1.41 X(o=-1.4,f=-1.7) USER MOD Single : A 18 ASN : amide:sc= 0.368 X(o=0.37,f=-0.12) USER MOD Single : A 25 THR OG1 : rot -33:sc= 0.672 USER MOD Single : A 26 LYS NZ :NH3+ -125:sc= -0.0287 (180deg=-0.904!) USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 CYS SG : rot 100:sc= -3.01! USER MOD Single : A 39 HIS : no HD1:sc= -0.353 K(o=-0.35,f=-2.9!) USER MOD Single : A 40 CYS SG : rot 163:sc= -3.53! USER MOD Single : A 41 LYS NZ :NH3+ -163:sc= 1.05 (180deg=0.562) USER MOD Single : A 46 LYS NZ :NH3+ -142:sc= 2.13 (180deg=-0.689!) USER MOD Single : A 47 TYR OH : rot -179:sc= 0.847 USER MOD Single : A 54 TYR OH : rot -144:sc= -1.2! USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 SER OG : rot -130:sc= 0.854 USER MOD Single : A 60 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0389) USER MOD Single : A 67 LYS NZ :NH3+ -146:sc= 1.19 (180deg=0.63) USER MOD Single : A 71 THR OG1 : rot 170:sc= 0 USER MOD Single : A 73 ASN : amide:sc= -1.18! X(o=-1.2!,f=-0.84) USER MOD Single : A 84 THR OG1 : rot -15:sc= 1.61 USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 GLN :FLIP amide:sc= 0 F(o=-0.53,f=0) USER MOD Single : A 98 THR OG1 : rot 150:sc= 0 USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 102 SER OG : rot -104:sc= 1.3 USER MOD Single : A 104 THR OG1 : rot 180:sc=-0.00517 USER MOD Single : A 110 LYS NZ :NH3+ -166:sc= 1.01 (180deg=0.473) USER MOD Single : A 115 ASN : amide:sc= -2.44 K(o=-2.4,f=-5.1!) USER MOD Single : A 117 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 118 TYR OH : rot 180:sc= 0 USER MOD Single : A 119 LYS NZ :NH3+ 171:sc=-0.00287 (180deg=-0.0852) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 3.336 19.775 2.618 1.00 0.00 N ATOM 2 CA GLY A 1 2.339 18.738 2.364 1.00 0.00 C ATOM 3 C GLY A 1 2.795 17.828 1.258 1.00 0.00 C ATOM 4 O GLY A 1 3.958 17.905 0.854 1.00 0.00 O ATOM 0 H1 GLY A 1 3.530 19.828 3.638 1.00 0.00 H new ATOM 0 H2 GLY A 1 4.214 19.544 2.110 1.00 0.00 H new ATOM 0 H3 GLY A 1 2.975 20.692 2.286 1.00 0.00 H new ATOM 0 HA2 GLY A 1 2.168 18.159 3.272 1.00 0.00 H new ATOM 0 HA3 GLY A 1 1.388 19.198 2.096 1.00 0.00 H new ATOM 10 N PRO A 2 1.923 16.951 0.737 1.00 0.00 N ATOM 11 CA PRO A 2 2.278 16.030 -0.325 1.00 0.00 C ATOM 12 C PRO A 2 2.171 16.678 -1.704 1.00 0.00 C ATOM 13 O PRO A 2 1.055 16.954 -2.198 1.00 0.00 O ATOM 14 CB PRO A 2 1.251 14.889 -0.190 1.00 0.00 C ATOM 15 CG PRO A 2 0.304 15.308 0.903 1.00 0.00 C ATOM 16 CD PRO A 2 0.530 16.775 1.143 1.00 0.00 C ATOM 0 HA PRO A 2 3.311 15.694 -0.238 1.00 0.00 H new ATOM 0 HB2 PRO A 2 0.718 14.731 -1.128 1.00 0.00 H new ATOM 0 HB3 PRO A 2 1.743 13.949 0.060 1.00 0.00 H new ATOM 0 HG2 PRO A 2 -0.729 15.120 0.611 1.00 0.00 H new ATOM 0 HG3 PRO A 2 0.488 14.736 1.812 1.00 0.00 H new ATOM 0 HD2 PRO A 2 -0.146 17.392 0.551 1.00 0.00 H new ATOM 0 HD3 PRO A 2 0.375 17.044 2.188 1.00 0.00 H new ATOM 24 N LEU A 3 3.305 16.947 -2.307 1.00 0.00 N ATOM 25 CA LEU A 3 3.335 17.539 -3.616 1.00 0.00 C ATOM 26 C LEU A 3 3.308 16.453 -4.678 1.00 0.00 C ATOM 27 O LEU A 3 4.147 15.531 -4.691 1.00 0.00 O ATOM 28 CB LEU A 3 4.543 18.471 -3.797 1.00 0.00 C ATOM 29 CG LEU A 3 4.632 19.210 -5.145 1.00 0.00 C ATOM 30 CD1 LEU A 3 3.409 20.085 -5.371 1.00 0.00 C ATOM 31 CD2 LEU A 3 5.890 20.051 -5.208 1.00 0.00 C ATOM 0 H LEU A 3 4.224 16.762 -1.905 1.00 0.00 H new ATOM 0 HA LEU A 3 2.445 18.158 -3.728 1.00 0.00 H new ATOM 0 HB2 LEU A 3 4.526 19.213 -2.999 1.00 0.00 H new ATOM 0 HB3 LEU A 3 5.452 17.884 -3.667 1.00 0.00 H new ATOM 0 HG LEU A 3 4.668 18.460 -5.935 1.00 0.00 H new ATOM 0 HD11 LEU A 3 3.499 20.595 -6.330 1.00 0.00 H new ATOM 0 HD12 LEU A 3 2.513 19.464 -5.372 1.00 0.00 H new ATOM 0 HD13 LEU A 3 3.338 20.824 -4.573 1.00 0.00 H new ATOM 0 HD21 LEU A 3 5.936 20.566 -6.168 1.00 0.00 H new ATOM 0 HD22 LEU A 3 5.877 20.785 -4.403 1.00 0.00 H new ATOM 0 HD23 LEU A 3 6.763 19.408 -5.099 1.00 0.00 H new ATOM 43 N GLY A 4 2.327 16.547 -5.511 1.00 0.00 N ATOM 44 CA GLY A 4 2.101 15.620 -6.564 1.00 0.00 C ATOM 45 C GLY A 4 0.670 15.733 -6.949 1.00 0.00 C ATOM 46 O GLY A 4 -0.050 16.520 -6.334 1.00 0.00 O ATOM 0 H GLY A 4 1.638 17.298 -5.475 1.00 0.00 H new ATOM 0 HA2 GLY A 4 2.747 15.839 -7.414 1.00 0.00 H new ATOM 0 HA3 GLY A 4 2.333 14.606 -6.240 1.00 0.00 H new ATOM 50 N SER A 5 0.235 15.000 -7.922 1.00 0.00 N ATOM 51 CA SER A 5 -1.145 15.062 -8.314 1.00 0.00 C ATOM 52 C SER A 5 -1.973 14.134 -7.439 1.00 0.00 C ATOM 53 O SER A 5 -2.953 14.549 -6.823 1.00 0.00 O ATOM 54 CB SER A 5 -1.284 14.706 -9.785 1.00 0.00 C ATOM 55 OG SER A 5 -0.430 15.527 -10.569 1.00 0.00 O ATOM 0 H SER A 5 0.809 14.352 -8.461 1.00 0.00 H new ATOM 0 HA SER A 5 -1.517 16.077 -8.177 1.00 0.00 H new ATOM 0 HB2 SER A 5 -1.033 13.656 -9.938 1.00 0.00 H new ATOM 0 HB3 SER A 5 -2.319 14.836 -10.102 1.00 0.00 H new ATOM 0 HG SER A 5 -0.525 15.289 -11.515 1.00 0.00 H new ATOM 61 N GLU A 6 -1.554 12.896 -7.360 1.00 0.00 N ATOM 62 CA GLU A 6 -2.246 11.904 -6.561 1.00 0.00 C ATOM 63 C GLU A 6 -1.539 11.729 -5.232 1.00 0.00 C ATOM 64 O GLU A 6 -2.126 11.296 -4.234 1.00 0.00 O ATOM 65 CB GLU A 6 -2.332 10.595 -7.331 1.00 0.00 C ATOM 66 CG GLU A 6 -3.079 10.735 -8.649 1.00 0.00 C ATOM 67 CD GLU A 6 -2.960 9.527 -9.529 1.00 0.00 C ATOM 68 OE1 GLU A 6 -1.880 9.342 -10.133 1.00 0.00 O ATOM 69 OE2 GLU A 6 -3.956 8.777 -9.689 1.00 0.00 O1- ATOM 0 H GLU A 6 -0.728 12.544 -7.844 1.00 0.00 H new ATOM 0 HA GLU A 6 -3.263 12.238 -6.354 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -1.325 10.227 -7.527 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -2.830 9.848 -6.714 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -4.133 10.924 -8.443 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -2.698 11.605 -9.184 1.00 0.00 H new ATOM 76 N GLY A 7 -0.299 12.099 -5.234 1.00 0.00 N ATOM 77 CA GLY A 7 0.520 12.030 -4.054 1.00 0.00 C ATOM 78 C GLY A 7 1.806 11.277 -4.319 1.00 0.00 C ATOM 79 O GLY A 7 2.025 10.827 -5.438 1.00 0.00 O ATOM 0 H GLY A 7 0.183 12.461 -6.057 1.00 0.00 H new ATOM 0 HA2 GLY A 7 0.751 13.038 -3.710 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -0.033 11.539 -3.253 1.00 0.00 H new ATOM 83 N PRO A 8 2.701 11.157 -3.316 1.00 0.00 N ATOM 84 CA PRO A 8 3.962 10.389 -3.450 1.00 0.00 C ATOM 85 C PRO A 8 3.675 8.905 -3.616 1.00 0.00 C ATOM 86 O PRO A 8 4.309 8.199 -4.409 1.00 0.00 O ATOM 87 CB PRO A 8 4.635 10.585 -2.094 1.00 0.00 C ATOM 88 CG PRO A 8 3.554 10.990 -1.166 1.00 0.00 C ATOM 89 CD PRO A 8 2.580 11.775 -1.986 1.00 0.00 C ATOM 0 HA PRO A 8 4.552 10.714 -4.307 1.00 0.00 H new ATOM 0 HB2 PRO A 8 5.115 9.666 -1.759 1.00 0.00 H new ATOM 0 HB3 PRO A 8 5.411 11.349 -2.149 1.00 0.00 H new ATOM 0 HG2 PRO A 8 3.075 10.118 -0.720 1.00 0.00 H new ATOM 0 HG3 PRO A 8 3.948 11.591 -0.347 1.00 0.00 H new ATOM 0 HD2 PRO A 8 1.566 11.697 -1.594 1.00 0.00 H new ATOM 0 HD3 PRO A 8 2.832 12.835 -2.008 1.00 0.00 H new ATOM 97 N VAL A 9 2.721 8.464 -2.838 1.00 0.00 N ATOM 98 CA VAL A 9 2.283 7.119 -2.807 1.00 0.00 C ATOM 99 C VAL A 9 1.520 6.809 -4.083 1.00 0.00 C ATOM 100 O VAL A 9 0.643 7.578 -4.504 1.00 0.00 O ATOM 101 CB VAL A 9 1.440 6.851 -1.518 1.00 0.00 C ATOM 102 CG1 VAL A 9 0.369 7.894 -1.318 1.00 0.00 C ATOM 103 CG2 VAL A 9 0.824 5.485 -1.531 1.00 0.00 C ATOM 0 H VAL A 9 2.217 9.067 -2.188 1.00 0.00 H new ATOM 0 HA VAL A 9 3.139 6.446 -2.763 1.00 0.00 H new ATOM 0 HB VAL A 9 2.135 6.909 -0.681 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -0.193 7.669 -0.411 1.00 0.00 H new ATOM 0 HG12 VAL A 9 0.831 8.877 -1.225 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -0.306 7.891 -2.173 1.00 0.00 H new ATOM 0 HG21 VAL A 9 0.247 5.338 -0.618 1.00 0.00 H new ATOM 0 HG22 VAL A 9 0.167 5.390 -2.396 1.00 0.00 H new ATOM 0 HG23 VAL A 9 1.610 4.732 -1.589 1.00 0.00 H new ATOM 113 N THR A 10 1.875 5.722 -4.693 1.00 0.00 N ATOM 114 CA THR A 10 1.338 5.338 -5.944 1.00 0.00 C ATOM 115 C THR A 10 -0.133 4.929 -5.807 1.00 0.00 C ATOM 116 O THR A 10 -0.461 3.869 -5.267 1.00 0.00 O ATOM 117 CB THR A 10 2.174 4.185 -6.515 1.00 0.00 C ATOM 118 OG1 THR A 10 3.569 4.540 -6.407 1.00 0.00 O ATOM 119 CG2 THR A 10 1.837 3.950 -7.981 1.00 0.00 C ATOM 0 H THR A 10 2.563 5.067 -4.320 1.00 0.00 H new ATOM 0 HA THR A 10 1.378 6.186 -6.627 1.00 0.00 H new ATOM 0 HB THR A 10 1.958 3.274 -5.957 1.00 0.00 H new ATOM 0 HG1 THR A 10 4.120 3.813 -6.766 1.00 0.00 H new ATOM 0 HG21 THR A 10 2.441 3.128 -8.366 1.00 0.00 H new ATOM 0 HG22 THR A 10 0.780 3.699 -8.076 1.00 0.00 H new ATOM 0 HG23 THR A 10 2.048 4.854 -8.552 1.00 0.00 H new ATOM 127 N VAL A 11 -1.004 5.809 -6.208 1.00 0.00 N ATOM 128 CA VAL A 11 -2.397 5.504 -6.244 1.00 0.00 C ATOM 129 C VAL A 11 -2.636 4.655 -7.471 1.00 0.00 C ATOM 130 O VAL A 11 -2.438 5.094 -8.611 1.00 0.00 O ATOM 131 CB VAL A 11 -3.280 6.770 -6.275 1.00 0.00 C ATOM 132 CG1 VAL A 11 -4.759 6.403 -6.269 1.00 0.00 C ATOM 133 CG2 VAL A 11 -2.951 7.686 -5.106 1.00 0.00 C ATOM 0 H VAL A 11 -0.767 6.752 -6.517 1.00 0.00 H new ATOM 0 HA VAL A 11 -2.675 4.972 -5.334 1.00 0.00 H new ATOM 0 HB VAL A 11 -3.067 7.305 -7.200 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -5.360 7.312 -6.291 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -4.987 5.796 -7.145 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -4.990 5.838 -5.366 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -3.585 8.572 -5.148 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -3.127 7.158 -4.169 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -1.905 7.986 -5.162 1.00 0.00 H new ATOM 143 N VAL A 12 -3.000 3.451 -7.227 1.00 0.00 N ATOM 144 CA VAL A 12 -3.174 2.449 -8.227 1.00 0.00 C ATOM 145 C VAL A 12 -4.637 2.122 -8.269 1.00 0.00 C ATOM 146 O VAL A 12 -5.199 1.728 -7.271 1.00 0.00 O ATOM 147 CB VAL A 12 -2.395 1.166 -7.801 1.00 0.00 C ATOM 148 CG1 VAL A 12 -2.501 0.101 -8.822 1.00 0.00 C ATOM 149 CG2 VAL A 12 -0.938 1.453 -7.547 1.00 0.00 C ATOM 0 H VAL A 12 -3.195 3.116 -6.284 1.00 0.00 H new ATOM 0 HA VAL A 12 -2.812 2.795 -9.195 1.00 0.00 H new ATOM 0 HB VAL A 12 -2.857 0.825 -6.875 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -1.946 -0.777 -8.491 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -3.549 -0.164 -8.964 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -2.086 0.458 -9.765 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -0.432 0.534 -7.253 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -0.480 1.844 -8.456 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -0.846 2.189 -6.748 1.00 0.00 H new ATOM 159 N VAL A 13 -5.258 2.337 -9.392 1.00 0.00 N ATOM 160 CA VAL A 13 -6.646 1.993 -9.549 1.00 0.00 C ATOM 161 C VAL A 13 -6.802 0.482 -9.610 1.00 0.00 C ATOM 162 O VAL A 13 -5.803 -0.246 -9.765 1.00 0.00 O ATOM 163 CB VAL A 13 -7.264 2.635 -10.811 1.00 0.00 C ATOM 164 CG1 VAL A 13 -7.305 4.128 -10.679 1.00 0.00 C ATOM 165 CG2 VAL A 13 -6.499 2.248 -12.054 1.00 0.00 C ATOM 0 H VAL A 13 -4.825 2.751 -10.218 1.00 0.00 H new ATOM 0 HA VAL A 13 -7.181 2.385 -8.684 1.00 0.00 H new ATOM 0 HB VAL A 13 -8.283 2.260 -10.906 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -7.744 4.561 -11.578 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -7.909 4.400 -9.813 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -6.292 4.510 -10.549 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -6.959 2.716 -12.925 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -5.466 2.584 -11.965 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -6.519 1.165 -12.171 1.00 0.00 H new ATOM 175 N ALA A 14 -8.039 0.011 -9.557 1.00 0.00 N ATOM 176 CA ALA A 14 -8.333 -1.418 -9.538 1.00 0.00 C ATOM 177 C ALA A 14 -7.827 -2.086 -10.794 1.00 0.00 C ATOM 178 O ALA A 14 -7.496 -3.269 -10.787 1.00 0.00 O ATOM 179 CB ALA A 14 -9.816 -1.661 -9.347 1.00 0.00 C ATOM 0 H ALA A 14 -8.867 0.606 -9.526 1.00 0.00 H new ATOM 0 HA ALA A 14 -7.811 -1.862 -8.690 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -10.011 -2.733 -9.336 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -10.137 -1.224 -8.401 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -10.369 -1.200 -10.166 1.00 0.00 H new ATOM 185 N LYS A 15 -7.734 -1.301 -11.849 1.00 0.00 N ATOM 186 CA LYS A 15 -7.180 -1.740 -13.112 1.00 0.00 C ATOM 187 C LYS A 15 -5.721 -2.175 -12.943 1.00 0.00 C ATOM 188 O LYS A 15 -5.349 -3.309 -13.247 1.00 0.00 O ATOM 189 CB LYS A 15 -7.271 -0.585 -14.148 1.00 0.00 C ATOM 190 CG LYS A 15 -6.311 -0.699 -15.334 1.00 0.00 C ATOM 191 CD LYS A 15 -6.554 -1.935 -16.203 1.00 0.00 C ATOM 192 CE LYS A 15 -7.844 -1.843 -17.007 1.00 0.00 C ATOM 193 NZ LYS A 15 -7.786 -0.779 -18.033 1.00 0.00 N1+ ATOM 0 H LYS A 15 -8.045 -0.330 -11.852 1.00 0.00 H new ATOM 0 HA LYS A 15 -7.754 -2.596 -13.467 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -8.291 -0.540 -14.529 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -7.080 0.358 -13.635 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -6.404 0.194 -15.953 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -5.287 -0.723 -14.961 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -5.714 -2.065 -16.885 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -6.589 -2.820 -15.567 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -8.039 -2.801 -17.489 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -8.678 -1.650 -16.332 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -8.581 -0.891 -18.695 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -7.848 0.151 -17.572 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -6.889 -0.848 -18.555 1.00 0.00 H new ATOM 207 N ASN A 16 -4.932 -1.303 -12.371 1.00 0.00 N ATOM 208 CA ASN A 16 -3.497 -1.486 -12.348 1.00 0.00 C ATOM 209 C ASN A 16 -3.105 -2.313 -11.187 1.00 0.00 C ATOM 210 O ASN A 16 -1.993 -2.782 -11.097 1.00 0.00 O ATOM 211 CB ASN A 16 -2.788 -0.180 -12.182 1.00 0.00 C ATOM 212 CG ASN A 16 -3.191 0.902 -13.113 1.00 0.00 C ATOM 213 OD1 ASN A 16 -3.521 0.686 -14.267 1.00 0.00 O ATOM 214 ND2 ASN A 16 -3.220 2.061 -12.570 1.00 0.00 N ATOM 0 H ASN A 16 -5.258 -0.453 -11.911 1.00 0.00 H new ATOM 0 HA ASN A 16 -3.226 -1.958 -13.292 1.00 0.00 H new ATOM 0 HB2 ASN A 16 -2.945 0.169 -11.161 1.00 0.00 H new ATOM 0 HB3 ASN A 16 -1.718 -0.353 -12.299 1.00 0.00 H new ATOM 0 HD21 ASN A 16 -3.532 2.869 -13.109 1.00 0.00 H new ATOM 0 HD22 ASN A 16 -2.931 2.177 -11.599 1.00 0.00 H new ATOM 221 N TYR A 17 -3.998 -2.449 -10.272 1.00 0.00 N ATOM 222 CA TYR A 17 -3.769 -3.160 -9.063 1.00 0.00 C ATOM 223 C TYR A 17 -3.251 -4.582 -9.262 1.00 0.00 C ATOM 224 O TYR A 17 -2.409 -5.046 -8.500 1.00 0.00 O ATOM 225 CB TYR A 17 -4.988 -3.034 -8.161 1.00 0.00 C ATOM 226 CG TYR A 17 -5.256 -4.188 -7.249 1.00 0.00 C ATOM 227 CD1 TYR A 17 -4.518 -4.374 -6.114 1.00 0.00 C ATOM 228 CD2 TYR A 17 -6.256 -5.099 -7.542 1.00 0.00 C ATOM 229 CE1 TYR A 17 -4.746 -5.426 -5.278 1.00 0.00 C ATOM 230 CE2 TYR A 17 -6.503 -6.164 -6.710 1.00 0.00 C ATOM 231 CZ TYR A 17 -5.740 -6.319 -5.576 1.00 0.00 C ATOM 232 OH TYR A 17 -5.969 -7.369 -4.742 1.00 0.00 O ATOM 0 H TYR A 17 -4.937 -2.057 -10.346 1.00 0.00 H new ATOM 0 HA TYR A 17 -2.933 -2.693 -8.542 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -4.873 -2.136 -7.553 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -5.865 -2.883 -8.790 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -3.735 -3.670 -5.874 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -6.849 -4.971 -8.435 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -4.148 -5.554 -4.388 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -7.286 -6.870 -6.943 1.00 0.00 H new ATOM 0 HH TYR A 17 -6.312 -8.128 -5.258 1.00 0.00 H new ATOM 242 N ASN A 18 -3.658 -5.215 -10.328 1.00 0.00 N ATOM 243 CA ASN A 18 -3.211 -6.568 -10.593 1.00 0.00 C ATOM 244 C ASN A 18 -1.755 -6.557 -11.090 1.00 0.00 C ATOM 245 O ASN A 18 -1.072 -7.570 -11.044 1.00 0.00 O ATOM 246 CB ASN A 18 -4.094 -7.273 -11.655 1.00 0.00 C ATOM 247 CG ASN A 18 -3.683 -6.950 -13.112 1.00 0.00 C ATOM 248 OD1 ASN A 18 -2.864 -7.665 -13.713 1.00 0.00 O ATOM 249 ND2 ASN A 18 -4.219 -5.897 -13.681 1.00 0.00 N ATOM 0 H ASN A 18 -4.293 -4.826 -11.026 1.00 0.00 H new ATOM 0 HA ASN A 18 -3.289 -7.120 -9.656 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -4.042 -8.351 -11.502 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -5.133 -6.979 -11.505 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -3.966 -5.650 -14.638 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -4.889 -5.325 -13.167 1.00 0.00 H new ATOM 256 N GLU A 19 -1.285 -5.414 -11.550 1.00 0.00 N ATOM 257 CA GLU A 19 0.034 -5.370 -12.156 1.00 0.00 C ATOM 258 C GLU A 19 1.027 -4.723 -11.248 1.00 0.00 C ATOM 259 O GLU A 19 2.130 -5.196 -11.053 1.00 0.00 O ATOM 260 CB GLU A 19 -0.029 -4.674 -13.519 1.00 0.00 C ATOM 261 CG GLU A 19 -0.348 -3.198 -13.552 1.00 0.00 C ATOM 262 CD GLU A 19 -0.487 -2.670 -14.951 1.00 0.00 C ATOM 263 OE1 GLU A 19 -1.574 -2.785 -15.542 1.00 0.00 O1- ATOM 264 OE2 GLU A 19 0.495 -2.130 -15.496 1.00 0.00 O ATOM 0 H GLU A 19 -1.781 -4.523 -11.519 1.00 0.00 H new ATOM 0 HA GLU A 19 0.373 -6.393 -12.318 1.00 0.00 H new ATOM 0 HB2 GLU A 19 0.933 -4.818 -14.011 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -0.776 -5.190 -14.122 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -1.274 -3.017 -13.006 1.00 0.00 H new ATOM 0 HG3 GLU A 19 0.439 -2.648 -13.036 1.00 0.00 H new ATOM 271 N ILE A 20 0.607 -3.655 -10.717 1.00 0.00 N ATOM 272 CA ILE A 20 1.417 -2.840 -9.839 1.00 0.00 C ATOM 273 C ILE A 20 1.483 -3.442 -8.449 1.00 0.00 C ATOM 274 O ILE A 20 2.557 -3.701 -7.938 1.00 0.00 O ATOM 275 CB ILE A 20 0.845 -1.409 -9.716 1.00 0.00 C ATOM 276 CG1 ILE A 20 0.661 -0.757 -11.101 1.00 0.00 C ATOM 277 CG2 ILE A 20 1.748 -0.558 -8.819 1.00 0.00 C ATOM 278 CD1 ILE A 20 1.931 -0.435 -11.842 1.00 0.00 C ATOM 0 H ILE A 20 -0.333 -3.288 -10.867 1.00 0.00 H new ATOM 0 HA ILE A 20 2.414 -2.801 -10.277 1.00 0.00 H new ATOM 0 HB ILE A 20 -0.141 -1.471 -9.256 1.00 0.00 H new ATOM 0 HG12 ILE A 20 0.060 -1.423 -11.719 1.00 0.00 H new ATOM 0 HG13 ILE A 20 0.091 0.164 -10.977 1.00 0.00 H new ATOM 0 HG21 ILE A 20 1.337 0.448 -8.739 1.00 0.00 H new ATOM 0 HG22 ILE A 20 1.804 -1.008 -7.828 1.00 0.00 H new ATOM 0 HG23 ILE A 20 2.747 -0.508 -9.251 1.00 0.00 H new ATOM 0 HD11 ILE A 20 1.687 0.019 -12.802 1.00 0.00 H new ATOM 0 HD12 ILE A 20 2.529 0.260 -11.253 1.00 0.00 H new ATOM 0 HD13 ILE A 20 2.498 -1.351 -12.008 1.00 0.00 H new ATOM 290 N VAL A 21 0.325 -3.664 -7.858 1.00 0.00 N ATOM 291 CA VAL A 21 0.241 -4.117 -6.490 1.00 0.00 C ATOM 292 C VAL A 21 0.480 -5.584 -6.385 1.00 0.00 C ATOM 293 O VAL A 21 1.123 -6.058 -5.476 1.00 0.00 O ATOM 294 CB VAL A 21 -1.130 -3.773 -5.913 1.00 0.00 C ATOM 295 CG1 VAL A 21 -1.243 -4.244 -4.467 1.00 0.00 C ATOM 296 CG2 VAL A 21 -1.356 -2.274 -6.021 1.00 0.00 C ATOM 0 H VAL A 21 -0.579 -3.535 -8.313 1.00 0.00 H new ATOM 0 HA VAL A 21 1.018 -3.608 -5.919 1.00 0.00 H new ATOM 0 HB VAL A 21 -1.902 -4.290 -6.484 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -2.228 -3.988 -4.077 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -1.105 -5.324 -4.424 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -0.476 -3.757 -3.865 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -2.334 -2.023 -5.610 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -0.582 -1.748 -5.462 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -1.315 -1.974 -7.068 1.00 0.00 H new ATOM 306 N LEU A 22 0.021 -6.280 -7.353 1.00 0.00 N ATOM 307 CA LEU A 22 0.100 -7.695 -7.357 1.00 0.00 C ATOM 308 C LEU A 22 1.349 -8.083 -8.173 1.00 0.00 C ATOM 309 O LEU A 22 1.359 -9.043 -8.951 1.00 0.00 O ATOM 310 CB LEU A 22 -1.203 -8.193 -7.973 1.00 0.00 C ATOM 311 CG LEU A 22 -1.770 -9.562 -7.516 1.00 0.00 C ATOM 312 CD1 LEU A 22 -2.968 -9.965 -8.353 1.00 0.00 C ATOM 313 CD2 LEU A 22 -0.726 -10.664 -7.484 1.00 0.00 C ATOM 0 H LEU A 22 -0.427 -5.881 -8.178 1.00 0.00 H new ATOM 0 HA LEU A 22 0.206 -8.141 -6.368 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -1.967 -7.439 -7.783 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -1.061 -8.238 -9.053 1.00 0.00 H new ATOM 0 HG LEU A 22 -2.098 -9.426 -6.485 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -3.344 -10.929 -8.010 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -3.751 -9.213 -8.253 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -2.671 -10.043 -9.399 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -1.189 -11.595 -7.156 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -0.308 -10.799 -8.482 1.00 0.00 H new ATOM 0 HD23 LEU A 22 0.070 -10.391 -6.791 1.00 0.00 H new ATOM 325 N ASP A 23 2.371 -7.283 -8.007 1.00 0.00 N ATOM 326 CA ASP A 23 3.682 -7.534 -8.595 1.00 0.00 C ATOM 327 C ASP A 23 4.411 -8.602 -7.745 1.00 0.00 C ATOM 328 O ASP A 23 4.098 -8.770 -6.568 1.00 0.00 O ATOM 329 CB ASP A 23 4.491 -6.238 -8.589 1.00 0.00 C ATOM 330 CG ASP A 23 5.744 -6.290 -9.398 1.00 0.00 C ATOM 331 OD1 ASP A 23 6.714 -6.862 -8.969 1.00 0.00 O1- ATOM 332 OD2 ASP A 23 5.773 -5.674 -10.485 1.00 0.00 O ATOM 0 H ASP A 23 2.326 -6.426 -7.455 1.00 0.00 H new ATOM 0 HA ASP A 23 3.573 -7.888 -9.620 1.00 0.00 H new ATOM 0 HB2 ASP A 23 3.863 -5.430 -8.965 1.00 0.00 H new ATOM 0 HB3 ASP A 23 4.748 -5.989 -7.559 1.00 0.00 H new ATOM 337 N ASP A 24 5.356 -9.327 -8.329 1.00 0.00 N ATOM 338 CA ASP A 24 6.066 -10.367 -7.579 1.00 0.00 C ATOM 339 C ASP A 24 7.553 -10.060 -7.422 1.00 0.00 C ATOM 340 O ASP A 24 8.304 -10.882 -6.881 1.00 0.00 O ATOM 341 CB ASP A 24 5.900 -11.759 -8.222 1.00 0.00 C ATOM 342 CG ASP A 24 6.735 -11.978 -9.483 1.00 0.00 C ATOM 343 OD1 ASP A 24 6.382 -11.445 -10.555 1.00 0.00 O ATOM 344 OD2 ASP A 24 7.739 -12.734 -9.435 1.00 0.00 O1- ATOM 0 H ASP A 24 5.648 -9.222 -9.301 1.00 0.00 H new ATOM 0 HA ASP A 24 5.608 -10.377 -6.590 1.00 0.00 H new ATOM 0 HB2 ASP A 24 6.168 -12.519 -7.488 1.00 0.00 H new ATOM 0 HB3 ASP A 24 4.849 -11.909 -8.467 1.00 0.00 H new ATOM 349 N THR A 25 7.989 -8.901 -7.859 1.00 0.00 N ATOM 350 CA THR A 25 9.392 -8.579 -7.783 1.00 0.00 C ATOM 351 C THR A 25 9.640 -7.256 -7.015 1.00 0.00 C ATOM 352 O THR A 25 10.744 -6.673 -7.065 1.00 0.00 O ATOM 353 CB THR A 25 10.064 -8.597 -9.196 1.00 0.00 C ATOM 354 OG1 THR A 25 11.480 -8.415 -9.078 1.00 0.00 O ATOM 355 CG2 THR A 25 9.493 -7.525 -10.105 1.00 0.00 C ATOM 0 H THR A 25 7.400 -8.175 -8.266 1.00 0.00 H new ATOM 0 HA THR A 25 9.878 -9.362 -7.201 1.00 0.00 H new ATOM 0 HB THR A 25 9.854 -9.570 -9.641 1.00 0.00 H new ATOM 0 HG1 THR A 25 11.672 -7.833 -8.313 1.00 0.00 H new ATOM 0 HG21 THR A 25 9.986 -7.571 -11.076 1.00 0.00 H new ATOM 0 HG22 THR A 25 8.423 -7.689 -10.233 1.00 0.00 H new ATOM 0 HG23 THR A 25 9.659 -6.544 -9.660 1.00 0.00 H new ATOM 363 N LYS A 26 8.619 -6.799 -6.318 1.00 0.00 N ATOM 364 CA LYS A 26 8.719 -5.691 -5.397 1.00 0.00 C ATOM 365 C LYS A 26 7.640 -5.860 -4.338 1.00 0.00 C ATOM 366 O LYS A 26 6.594 -6.431 -4.637 1.00 0.00 O ATOM 367 CB LYS A 26 8.583 -4.335 -6.109 1.00 0.00 C ATOM 368 CG LYS A 26 7.315 -4.170 -6.922 1.00 0.00 C ATOM 369 CD LYS A 26 7.150 -2.742 -7.370 1.00 0.00 C ATOM 370 CE LYS A 26 5.902 -2.543 -8.207 1.00 0.00 C ATOM 371 NZ LYS A 26 6.027 -3.106 -9.567 1.00 0.00 N1+ ATOM 0 H LYS A 26 7.681 -7.196 -6.379 1.00 0.00 H new ATOM 0 HA LYS A 26 9.707 -5.695 -4.936 1.00 0.00 H new ATOM 0 HB2 LYS A 26 8.625 -3.542 -5.362 1.00 0.00 H new ATOM 0 HB3 LYS A 26 9.441 -4.198 -6.768 1.00 0.00 H new ATOM 0 HG2 LYS A 26 7.347 -4.827 -7.791 1.00 0.00 H new ATOM 0 HG3 LYS A 26 6.453 -4.471 -6.326 1.00 0.00 H new ATOM 0 HD2 LYS A 26 7.106 -2.092 -6.496 1.00 0.00 H new ATOM 0 HD3 LYS A 26 8.024 -2.441 -7.948 1.00 0.00 H new ATOM 0 HE2 LYS A 26 5.055 -3.008 -7.703 1.00 0.00 H new ATOM 0 HE3 LYS A 26 5.685 -1.477 -8.279 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 5.823 -2.366 -10.269 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 6.995 -3.460 -9.709 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 5.352 -3.889 -9.682 1.00 0.00 H new ATOM 385 N ASP A 27 7.897 -5.414 -3.116 1.00 0.00 N ATOM 386 CA ASP A 27 6.905 -5.525 -2.056 1.00 0.00 C ATOM 387 C ASP A 27 5.918 -4.394 -2.218 1.00 0.00 C ATOM 388 O ASP A 27 6.309 -3.225 -2.203 1.00 0.00 O ATOM 389 CB ASP A 27 7.549 -5.433 -0.647 1.00 0.00 C ATOM 390 CG ASP A 27 8.386 -6.638 -0.204 1.00 0.00 C ATOM 391 OD1 ASP A 27 8.105 -7.792 -0.599 1.00 0.00 O ATOM 392 OD2 ASP A 27 9.309 -6.452 0.610 1.00 0.00 O1- ATOM 0 H ASP A 27 8.775 -4.976 -2.836 1.00 0.00 H new ATOM 0 HA ASP A 27 6.419 -6.497 -2.136 1.00 0.00 H new ATOM 0 HB2 ASP A 27 8.183 -4.547 -0.617 1.00 0.00 H new ATOM 0 HB3 ASP A 27 6.754 -5.281 0.083 1.00 0.00 H new ATOM 397 N VAL A 28 4.671 -4.691 -2.423 1.00 0.00 N ATOM 398 CA VAL A 28 3.714 -3.627 -2.589 1.00 0.00 C ATOM 399 C VAL A 28 2.697 -3.619 -1.489 1.00 0.00 C ATOM 400 O VAL A 28 1.989 -4.598 -1.251 1.00 0.00 O ATOM 401 CB VAL A 28 3.022 -3.614 -3.967 1.00 0.00 C ATOM 402 CG1 VAL A 28 2.218 -2.333 -4.132 1.00 0.00 C ATOM 403 CG2 VAL A 28 4.032 -3.739 -5.073 1.00 0.00 C ATOM 0 H VAL A 28 4.293 -5.637 -2.479 1.00 0.00 H new ATOM 0 HA VAL A 28 4.300 -2.710 -2.533 1.00 0.00 H new ATOM 0 HB VAL A 28 2.348 -4.468 -4.023 1.00 0.00 H new ATOM 0 HG11 VAL A 28 1.732 -2.331 -5.108 1.00 0.00 H new ATOM 0 HG12 VAL A 28 1.461 -2.275 -3.350 1.00 0.00 H new ATOM 0 HG13 VAL A 28 2.884 -1.473 -4.057 1.00 0.00 H new ATOM 0 HG21 VAL A 28 3.521 -3.728 -6.036 1.00 0.00 H new ATOM 0 HG22 VAL A 28 4.731 -2.904 -5.023 1.00 0.00 H new ATOM 0 HG23 VAL A 28 4.578 -4.676 -4.963 1.00 0.00 H new ATOM 413 N LEU A 29 2.643 -2.519 -0.816 1.00 0.00 N ATOM 414 CA LEU A 29 1.725 -2.316 0.255 1.00 0.00 C ATOM 415 C LEU A 29 0.538 -1.646 -0.314 1.00 0.00 C ATOM 416 O LEU A 29 0.680 -0.569 -0.842 1.00 0.00 O ATOM 417 CB LEU A 29 2.310 -1.338 1.229 1.00 0.00 C ATOM 418 CG LEU A 29 1.611 -1.245 2.581 1.00 0.00 C ATOM 419 CD1 LEU A 29 1.819 -2.514 3.421 1.00 0.00 C ATOM 420 CD2 LEU A 29 2.076 -0.012 3.310 1.00 0.00 C ATOM 0 H LEU A 29 3.248 -1.719 -0.999 1.00 0.00 H new ATOM 0 HA LEU A 29 1.497 -3.267 0.736 1.00 0.00 H new ATOM 0 HB2 LEU A 29 3.353 -1.604 1.399 1.00 0.00 H new ATOM 0 HB3 LEU A 29 2.304 -0.349 0.770 1.00 0.00 H new ATOM 0 HG LEU A 29 0.538 -1.164 2.409 1.00 0.00 H new ATOM 0 HD11 LEU A 29 1.305 -2.406 4.376 1.00 0.00 H new ATOM 0 HD12 LEU A 29 1.416 -3.374 2.887 1.00 0.00 H new ATOM 0 HD13 LEU A 29 2.884 -2.663 3.597 1.00 0.00 H new ATOM 0 HD21 LEU A 29 1.574 0.051 4.276 1.00 0.00 H new ATOM 0 HD22 LEU A 29 3.154 -0.065 3.464 1.00 0.00 H new ATOM 0 HD23 LEU A 29 1.837 0.872 2.719 1.00 0.00 H new ATOM 432 N ILE A 30 -0.592 -2.237 -0.265 1.00 0.00 N ATOM 433 CA ILE A 30 -1.736 -1.523 -0.752 1.00 0.00 C ATOM 434 C ILE A 30 -2.692 -1.178 0.374 1.00 0.00 C ATOM 435 O ILE A 30 -2.818 -1.931 1.329 1.00 0.00 O ATOM 436 CB ILE A 30 -2.481 -2.281 -1.861 1.00 0.00 C ATOM 437 CG1 ILE A 30 -3.433 -1.334 -2.569 1.00 0.00 C ATOM 438 CG2 ILE A 30 -3.236 -3.483 -1.294 1.00 0.00 C ATOM 439 CD1 ILE A 30 -4.183 -1.968 -3.678 1.00 0.00 C ATOM 0 H ILE A 30 -0.763 -3.178 0.091 1.00 0.00 H new ATOM 0 HA ILE A 30 -1.353 -0.600 -1.187 1.00 0.00 H new ATOM 0 HB ILE A 30 -1.753 -2.660 -2.578 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -4.142 -0.935 -1.843 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -2.867 -0.489 -2.960 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -3.754 -4.001 -2.101 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -2.530 -4.165 -0.819 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -3.963 -3.142 -0.557 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -4.843 -1.233 -4.138 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -3.482 -2.343 -4.424 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -4.776 -2.796 -3.290 1.00 0.00 H new ATOM 451 N GLU A 31 -3.329 -0.042 0.256 1.00 0.00 N ATOM 452 CA GLU A 31 -4.349 0.363 1.178 1.00 0.00 C ATOM 453 C GLU A 31 -5.609 0.740 0.386 1.00 0.00 C ATOM 454 O GLU A 31 -5.621 1.702 -0.384 1.00 0.00 O ATOM 455 CB GLU A 31 -3.846 1.514 2.085 1.00 0.00 C ATOM 456 CG GLU A 31 -4.811 1.961 3.186 1.00 0.00 C ATOM 457 CD GLU A 31 -4.145 2.872 4.221 1.00 0.00 C ATOM 458 OE1 GLU A 31 -4.043 4.095 4.014 1.00 0.00 O1- ATOM 459 OE2 GLU A 31 -3.693 2.368 5.286 1.00 0.00 O ATOM 0 H GLU A 31 -3.150 0.631 -0.490 1.00 0.00 H new ATOM 0 HA GLU A 31 -4.600 -0.460 1.847 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -2.911 1.203 2.551 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -3.618 2.374 1.456 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -5.653 2.486 2.735 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -5.215 1.082 3.688 1.00 0.00 H new ATOM 466 N PHE A 32 -6.608 -0.105 0.479 1.00 0.00 N ATOM 467 CA PHE A 32 -7.913 0.141 -0.115 1.00 0.00 C ATOM 468 C PHE A 32 -8.526 1.238 0.648 1.00 0.00 C ATOM 469 O PHE A 32 -8.552 1.144 1.854 1.00 0.00 O ATOM 470 CB PHE A 32 -8.824 -1.062 0.067 1.00 0.00 C ATOM 471 CG PHE A 32 -8.400 -2.303 -0.687 1.00 0.00 C ATOM 472 CD1 PHE A 32 -7.486 -3.186 -0.154 1.00 0.00 C ATOM 473 CD2 PHE A 32 -8.925 -2.577 -1.933 1.00 0.00 C ATOM 474 CE1 PHE A 32 -7.100 -4.311 -0.843 1.00 0.00 C ATOM 475 CE2 PHE A 32 -8.536 -3.710 -2.629 1.00 0.00 C ATOM 476 CZ PHE A 32 -7.624 -4.575 -2.080 1.00 0.00 C ATOM 0 H PHE A 32 -6.543 -0.995 0.974 1.00 0.00 H new ATOM 0 HA PHE A 32 -7.792 0.358 -1.176 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -8.878 -1.301 1.129 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -9.830 -0.788 -0.250 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -7.066 -2.991 0.822 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -9.646 -1.902 -2.370 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -6.381 -4.989 -0.407 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -8.951 -3.912 -3.605 1.00 0.00 H new ATOM 0 HZ PHE A 32 -7.321 -5.459 -2.621 1.00 0.00 H new ATOM 486 N TYR A 33 -9.022 2.244 -0.008 1.00 0.00 N ATOM 487 CA TYR A 33 -9.605 3.353 0.704 1.00 0.00 C ATOM 488 C TYR A 33 -10.795 3.918 -0.033 1.00 0.00 C ATOM 489 O TYR A 33 -11.241 3.380 -1.049 1.00 0.00 O ATOM 490 CB TYR A 33 -8.562 4.470 0.906 1.00 0.00 C ATOM 491 CG TYR A 33 -8.156 5.237 -0.362 1.00 0.00 C ATOM 492 CD1 TYR A 33 -7.218 4.744 -1.247 1.00 0.00 C ATOM 493 CD2 TYR A 33 -8.748 6.460 -0.661 1.00 0.00 C ATOM 494 CE1 TYR A 33 -6.887 5.441 -2.397 1.00 0.00 C ATOM 495 CE2 TYR A 33 -8.424 7.158 -1.794 1.00 0.00 C ATOM 496 CZ TYR A 33 -7.496 6.646 -2.663 1.00 0.00 C ATOM 497 OH TYR A 33 -7.183 7.340 -3.817 1.00 0.00 O ATOM 0 H TYR A 33 -9.038 2.325 -1.025 1.00 0.00 H new ATOM 0 HA TYR A 33 -9.938 2.979 1.672 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -8.956 5.183 1.630 1.00 0.00 H new ATOM 0 HB3 TYR A 33 -7.666 4.031 1.346 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -6.735 3.801 -1.039 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -9.482 6.869 0.018 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -6.154 5.041 -3.082 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -8.897 8.106 -2.001 1.00 0.00 H new ATOM 0 HH TYR A 33 -7.703 8.170 -3.851 1.00 0.00 H new ATOM 507 N ALA A 34 -11.260 5.017 0.495 1.00 0.00 N ATOM 508 CA ALA A 34 -12.312 5.814 -0.036 1.00 0.00 C ATOM 509 C ALA A 34 -12.039 7.215 0.481 1.00 0.00 C ATOM 510 O ALA A 34 -11.493 7.350 1.578 1.00 0.00 O ATOM 511 CB ALA A 34 -13.661 5.325 0.464 1.00 0.00 C ATOM 0 H ALA A 34 -10.884 5.397 1.364 1.00 0.00 H new ATOM 0 HA ALA A 34 -12.345 5.771 -1.125 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -14.452 5.948 0.046 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -13.811 4.291 0.153 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -13.689 5.384 1.552 1.00 0.00 H new ATOM 517 N PRO A 35 -12.418 8.269 -0.229 1.00 0.00 N ATOM 518 CA PRO A 35 -12.113 9.632 0.201 1.00 0.00 C ATOM 519 C PRO A 35 -13.073 10.034 1.290 1.00 0.00 C ATOM 520 O PRO A 35 -12.780 10.825 2.188 1.00 0.00 O ATOM 521 CB PRO A 35 -12.346 10.478 -1.049 1.00 0.00 C ATOM 522 CG PRO A 35 -12.930 9.563 -2.093 1.00 0.00 C ATOM 523 CD PRO A 35 -13.212 8.244 -1.454 1.00 0.00 C ATOM 0 HA PRO A 35 -11.103 9.745 0.595 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -13.025 11.304 -0.836 1.00 0.00 H new ATOM 0 HB3 PRO A 35 -11.411 10.916 -1.399 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -13.845 9.990 -2.503 1.00 0.00 H new ATOM 0 HG3 PRO A 35 -12.235 9.442 -2.924 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -14.274 8.123 -1.239 1.00 0.00 H new ATOM 0 HD3 PRO A 35 -12.922 7.416 -2.101 1.00 0.00 H new ATOM 531 N TRP A 36 -14.186 9.383 1.246 1.00 0.00 N ATOM 532 CA TRP A 36 -15.270 9.597 2.178 1.00 0.00 C ATOM 533 C TRP A 36 -15.201 8.652 3.335 1.00 0.00 C ATOM 534 O TRP A 36 -16.138 8.499 4.102 1.00 0.00 O ATOM 535 CB TRP A 36 -16.608 9.557 1.480 1.00 0.00 C ATOM 536 CG TRP A 36 -16.734 8.546 0.379 1.00 0.00 C ATOM 537 CD1 TRP A 36 -16.911 7.197 0.487 1.00 0.00 C ATOM 538 CD2 TRP A 36 -16.721 8.842 -1.018 1.00 0.00 C ATOM 539 NE1 TRP A 36 -16.974 6.639 -0.769 1.00 0.00 N ATOM 540 CE2 TRP A 36 -16.870 7.633 -1.705 1.00 0.00 C ATOM 541 CE3 TRP A 36 -16.587 10.024 -1.750 1.00 0.00 C ATOM 542 CZ2 TRP A 36 -16.891 7.567 -3.097 1.00 0.00 C ATOM 543 CZ3 TRP A 36 -16.608 9.958 -3.125 1.00 0.00 C ATOM 544 CH2 TRP A 36 -16.758 8.737 -3.787 1.00 0.00 C ATOM 0 H TRP A 36 -14.384 8.666 0.548 1.00 0.00 H new ATOM 0 HA TRP A 36 -15.158 10.599 2.592 1.00 0.00 H new ATOM 0 HB2 TRP A 36 -17.380 9.357 2.223 1.00 0.00 H new ATOM 0 HB3 TRP A 36 -16.812 10.545 1.067 1.00 0.00 H new ATOM 0 HD1 TRP A 36 -16.990 6.651 1.416 1.00 0.00 H new ATOM 0 HE1 TRP A 36 -17.081 5.645 -0.971 1.00 0.00 H new ATOM 0 HE3 TRP A 36 -16.469 10.972 -1.247 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 -17.008 6.624 -3.611 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 -16.507 10.866 -3.702 1.00 0.00 H new ATOM 0 HH2 TRP A 36 -16.769 8.719 -4.867 1.00 0.00 H new ATOM 555 N CYS A 37 -14.081 8.053 3.464 1.00 0.00 N ATOM 556 CA CYS A 37 -13.819 7.178 4.552 1.00 0.00 C ATOM 557 C CYS A 37 -13.106 7.971 5.635 1.00 0.00 C ATOM 558 O CYS A 37 -12.054 8.578 5.369 1.00 0.00 O ATOM 559 CB CYS A 37 -12.970 6.004 4.077 1.00 0.00 C ATOM 560 SG CYS A 37 -12.462 4.832 5.334 1.00 0.00 S ATOM 0 H CYS A 37 -13.305 8.154 2.810 1.00 0.00 H new ATOM 0 HA CYS A 37 -14.747 6.772 4.954 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -13.529 5.465 3.312 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -12.075 6.401 3.597 1.00 0.00 H new ATOM 0 HG CYS A 37 -13.239 3.791 5.296 1.00 0.00 H new ATOM 566 N GLY A 38 -13.694 8.044 6.810 1.00 0.00 N ATOM 567 CA GLY A 38 -13.075 8.752 7.915 1.00 0.00 C ATOM 568 C GLY A 38 -11.839 8.031 8.382 1.00 0.00 C ATOM 569 O GLY A 38 -10.840 8.658 8.754 1.00 0.00 O ATOM 0 H GLY A 38 -14.598 7.624 7.027 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -12.816 9.765 7.606 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -13.783 8.841 8.739 1.00 0.00 H new ATOM 573 N HIS A 39 -11.908 6.715 8.314 1.00 0.00 N ATOM 574 CA HIS A 39 -10.815 5.835 8.667 1.00 0.00 C ATOM 575 C HIS A 39 -9.626 6.148 7.753 1.00 0.00 C ATOM 576 O HIS A 39 -8.560 6.460 8.224 1.00 0.00 O ATOM 577 CB HIS A 39 -11.285 4.371 8.500 1.00 0.00 C ATOM 578 CG HIS A 39 -10.384 3.290 9.051 1.00 0.00 C ATOM 579 ND1 HIS A 39 -10.683 2.577 10.185 1.00 0.00 N ATOM 580 CD2 HIS A 39 -9.254 2.737 8.561 1.00 0.00 C ATOM 581 CE1 HIS A 39 -9.779 1.638 10.367 1.00 0.00 C ATOM 582 NE2 HIS A 39 -8.901 1.708 9.393 1.00 0.00 N ATOM 0 H HIS A 39 -12.744 6.219 8.005 1.00 0.00 H new ATOM 0 HA HIS A 39 -10.506 5.981 9.702 1.00 0.00 H new ATOM 0 HB2 HIS A 39 -12.261 4.273 8.976 1.00 0.00 H new ATOM 0 HB3 HIS A 39 -11.429 4.181 7.436 1.00 0.00 H new ATOM 0 HD2 HIS A 39 -8.724 3.050 7.673 1.00 0.00 H new ATOM 0 HE1 HIS A 39 -9.762 0.929 11.181 1.00 0.00 H new ATOM 0 HE2 HIS A 39 -8.092 1.098 9.276 1.00 0.00 H new ATOM 591 N CYS A 40 -9.862 6.132 6.441 1.00 0.00 N ATOM 592 CA CYS A 40 -8.823 6.419 5.433 1.00 0.00 C ATOM 593 C CYS A 40 -8.145 7.748 5.659 1.00 0.00 C ATOM 594 O CYS A 40 -6.936 7.866 5.534 1.00 0.00 O ATOM 595 CB CYS A 40 -9.398 6.407 4.026 1.00 0.00 C ATOM 596 SG CYS A 40 -8.273 7.063 2.778 1.00 0.00 S ATOM 0 H CYS A 40 -10.776 5.921 6.040 1.00 0.00 H new ATOM 0 HA CYS A 40 -8.083 5.626 5.542 1.00 0.00 H new ATOM 0 HB2 CYS A 40 -9.664 5.384 3.761 1.00 0.00 H new ATOM 0 HB3 CYS A 40 -10.319 6.990 4.014 1.00 0.00 H new ATOM 0 HG CYS A 40 -8.672 6.694 1.597 1.00 0.00 H new ATOM 602 N LYS A 41 -8.910 8.733 6.021 1.00 0.00 N ATOM 603 CA LYS A 41 -8.370 10.072 6.191 1.00 0.00 C ATOM 604 C LYS A 41 -7.399 10.205 7.379 1.00 0.00 C ATOM 605 O LYS A 41 -6.662 11.180 7.479 1.00 0.00 O ATOM 606 CB LYS A 41 -9.467 11.130 6.200 1.00 0.00 C ATOM 607 CG LYS A 41 -10.180 11.245 4.852 1.00 0.00 C ATOM 608 CD LYS A 41 -11.090 12.460 4.791 1.00 0.00 C ATOM 609 CE LYS A 41 -12.358 12.267 5.595 1.00 0.00 C ATOM 610 NZ LYS A 41 -13.221 11.239 4.992 1.00 0.00 N1+ ATOM 0 H LYS A 41 -9.909 8.648 6.207 1.00 0.00 H new ATOM 0 HA LYS A 41 -7.756 10.259 5.310 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -10.196 10.887 6.973 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -9.034 12.095 6.462 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -9.440 11.306 4.054 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -10.766 10.344 4.674 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -10.554 13.332 5.165 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -11.348 12.666 3.752 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -12.104 11.979 6.615 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -12.900 13.211 5.655 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -14.184 11.325 5.377 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -13.247 11.369 3.961 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -12.843 10.296 5.212 1.00 0.00 H new ATOM 624 N ALA A 42 -7.363 9.201 8.231 1.00 0.00 N ATOM 625 CA ALA A 42 -6.439 9.179 9.362 1.00 0.00 C ATOM 626 C ALA A 42 -5.233 8.347 8.987 1.00 0.00 C ATOM 627 O ALA A 42 -4.214 8.311 9.668 1.00 0.00 O ATOM 628 CB ALA A 42 -7.113 8.538 10.527 1.00 0.00 C ATOM 0 H ALA A 42 -7.965 8.380 8.166 1.00 0.00 H new ATOM 0 HA ALA A 42 -6.137 10.195 9.616 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -6.430 8.517 11.376 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -8.003 9.108 10.791 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -7.399 7.519 10.266 1.00 0.00 H new ATOM 634 N LEU A 43 -5.378 7.690 7.888 1.00 0.00 N ATOM 635 CA LEU A 43 -4.400 6.777 7.359 1.00 0.00 C ATOM 636 C LEU A 43 -3.590 7.409 6.227 1.00 0.00 C ATOM 637 O LEU A 43 -2.510 6.948 5.885 1.00 0.00 O ATOM 638 CB LEU A 43 -5.093 5.502 6.886 1.00 0.00 C ATOM 639 CG LEU A 43 -5.368 4.406 7.946 1.00 0.00 C ATOM 640 CD1 LEU A 43 -6.215 4.880 9.105 1.00 0.00 C ATOM 641 CD2 LEU A 43 -5.985 3.189 7.308 1.00 0.00 C ATOM 0 H LEU A 43 -6.210 7.771 7.304 1.00 0.00 H new ATOM 0 HA LEU A 43 -3.697 6.529 8.154 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -6.046 5.783 6.437 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -4.485 5.061 6.096 1.00 0.00 H new ATOM 0 HG LEU A 43 -4.396 4.145 8.364 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -6.365 4.059 9.806 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -5.710 5.702 9.612 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -7.181 5.221 8.734 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -6.170 2.432 8.071 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -6.927 3.465 6.835 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -5.305 2.788 6.556 1.00 0.00 H new ATOM 653 N ALA A 44 -4.111 8.456 5.700 1.00 0.00 N ATOM 654 CA ALA A 44 -3.493 9.238 4.636 1.00 0.00 C ATOM 655 C ALA A 44 -2.193 9.944 5.076 1.00 0.00 C ATOM 656 O ALA A 44 -1.210 9.898 4.346 1.00 0.00 O ATOM 657 CB ALA A 44 -4.474 10.255 4.105 1.00 0.00 C ATOM 0 H ALA A 44 -5.015 8.825 5.994 1.00 0.00 H new ATOM 0 HA ALA A 44 -3.219 8.534 3.851 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -4.003 10.834 3.311 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -5.351 9.743 3.710 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -4.777 10.924 4.911 1.00 0.00 H new ATOM 663 N PRO A 45 -2.106 10.560 6.313 1.00 0.00 N ATOM 664 CA PRO A 45 -0.905 11.307 6.699 1.00 0.00 C ATOM 665 C PRO A 45 0.309 10.428 6.795 1.00 0.00 C ATOM 666 O PRO A 45 1.445 10.889 6.704 1.00 0.00 O ATOM 667 CB PRO A 45 -1.247 11.875 8.059 1.00 0.00 C ATOM 668 CG PRO A 45 -2.323 11.016 8.601 1.00 0.00 C ATOM 669 CD PRO A 45 -3.110 10.561 7.418 1.00 0.00 C ATOM 0 HA PRO A 45 -0.655 12.068 5.959 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -0.376 11.870 8.714 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -1.578 12.910 7.977 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -1.910 10.168 9.146 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -2.951 11.569 9.300 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -3.535 9.570 7.575 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -3.941 11.234 7.205 1.00 0.00 H new ATOM 677 N LYS A 46 0.066 9.166 6.937 1.00 0.00 N ATOM 678 CA LYS A 46 1.148 8.225 7.045 1.00 0.00 C ATOM 679 C LYS A 46 1.474 7.755 5.703 1.00 0.00 C ATOM 680 O LYS A 46 2.587 7.551 5.395 1.00 0.00 O ATOM 681 CB LYS A 46 0.778 7.047 7.940 1.00 0.00 C ATOM 682 CG LYS A 46 0.057 5.889 7.271 1.00 0.00 C ATOM 683 CD LYS A 46 -1.047 5.367 8.112 1.00 0.00 C ATOM 684 CE LYS A 46 -1.592 4.063 7.573 1.00 0.00 C ATOM 685 NZ LYS A 46 -2.078 4.180 6.165 1.00 0.00 N1+ ATOM 0 H LYS A 46 -0.867 8.757 6.982 1.00 0.00 H new ATOM 0 HA LYS A 46 2.008 8.716 7.500 1.00 0.00 H new ATOM 0 HB2 LYS A 46 1.691 6.664 8.395 1.00 0.00 H new ATOM 0 HB3 LYS A 46 0.150 7.418 8.750 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -0.341 6.215 6.310 1.00 0.00 H new ATOM 0 HG3 LYS A 46 0.768 5.088 7.066 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -0.689 5.219 9.131 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -1.848 6.104 8.160 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -0.814 3.301 7.623 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -2.410 3.725 8.209 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -2.937 3.606 6.046 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -2.294 5.175 5.954 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -1.342 3.840 5.514 1.00 0.00 H new ATOM 699 N TYR A 47 0.491 7.679 4.895 1.00 0.00 N ATOM 700 CA TYR A 47 0.620 7.101 3.620 1.00 0.00 C ATOM 701 C TYR A 47 1.372 7.969 2.680 1.00 0.00 C ATOM 702 O TYR A 47 2.181 7.488 1.903 1.00 0.00 O ATOM 703 CB TYR A 47 -0.721 6.679 3.120 1.00 0.00 C ATOM 704 CG TYR A 47 -0.691 5.278 2.669 1.00 0.00 C ATOM 705 CD1 TYR A 47 -0.317 4.298 3.546 1.00 0.00 C ATOM 706 CD2 TYR A 47 -0.999 4.931 1.393 1.00 0.00 C ATOM 707 CE1 TYR A 47 -0.262 2.994 3.174 1.00 0.00 C ATOM 708 CE2 TYR A 47 -0.953 3.627 0.989 1.00 0.00 C ATOM 709 CZ TYR A 47 -0.585 2.648 1.885 1.00 0.00 C ATOM 710 OH TYR A 47 -0.530 1.331 1.489 1.00 0.00 O ATOM 0 H TYR A 47 -0.445 8.024 5.106 1.00 0.00 H new ATOM 0 HA TYR A 47 1.230 6.201 3.698 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -1.463 6.796 3.910 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -1.027 7.325 2.297 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -0.059 4.568 4.559 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -1.284 5.697 0.687 1.00 0.00 H new ATOM 0 HE1 TYR A 47 0.033 2.236 3.885 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -1.204 3.365 -0.028 1.00 0.00 H new ATOM 0 HH TYR A 47 -0.775 1.264 0.542 1.00 0.00 H new ATOM 720 N GLU A 48 1.171 9.230 2.782 1.00 0.00 N ATOM 721 CA GLU A 48 1.922 10.130 2.004 1.00 0.00 C ATOM 722 C GLU A 48 3.292 10.437 2.607 1.00 0.00 C ATOM 723 O GLU A 48 4.180 10.863 1.911 1.00 0.00 O ATOM 724 CB GLU A 48 1.146 11.385 1.697 1.00 0.00 C ATOM 725 CG GLU A 48 0.000 11.158 0.727 1.00 0.00 C ATOM 726 CD GLU A 48 -1.251 10.566 1.332 1.00 0.00 C ATOM 727 OE1 GLU A 48 -2.086 11.334 1.851 1.00 0.00 O1- ATOM 728 OE2 GLU A 48 -1.445 9.339 1.239 1.00 0.00 O ATOM 0 H GLU A 48 0.486 9.661 3.403 1.00 0.00 H new ATOM 0 HA GLU A 48 2.116 9.628 1.056 1.00 0.00 H new ATOM 0 HB2 GLU A 48 0.751 11.796 2.626 1.00 0.00 H new ATOM 0 HB3 GLU A 48 1.823 12.131 1.281 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -0.256 12.111 0.264 1.00 0.00 H new ATOM 0 HG3 GLU A 48 0.345 10.499 -0.070 1.00 0.00 H new ATOM 735 N GLU A 49 3.484 10.153 3.865 1.00 0.00 N ATOM 736 CA GLU A 49 4.745 10.452 4.507 1.00 0.00 C ATOM 737 C GLU A 49 5.657 9.266 4.293 1.00 0.00 C ATOM 738 O GLU A 49 6.811 9.396 3.874 1.00 0.00 O ATOM 739 CB GLU A 49 4.542 10.696 6.005 1.00 0.00 C ATOM 740 CG GLU A 49 5.740 11.325 6.693 1.00 0.00 C ATOM 741 CD GLU A 49 5.996 12.735 6.206 1.00 0.00 C ATOM 742 OE1 GLU A 49 6.560 12.907 5.103 1.00 0.00 O ATOM 743 OE2 GLU A 49 5.636 13.701 6.932 1.00 0.00 O1- ATOM 0 H GLU A 49 2.789 9.716 4.470 1.00 0.00 H new ATOM 0 HA GLU A 49 5.180 11.356 4.080 1.00 0.00 H new ATOM 0 HB2 GLU A 49 3.675 11.342 6.144 1.00 0.00 H new ATOM 0 HB3 GLU A 49 4.313 9.747 6.490 1.00 0.00 H new ATOM 0 HG2 GLU A 49 5.574 11.338 7.770 1.00 0.00 H new ATOM 0 HG3 GLU A 49 6.624 10.713 6.514 1.00 0.00 H new ATOM 750 N LEU A 50 5.080 8.108 4.510 1.00 0.00 N ATOM 751 CA LEU A 50 5.727 6.847 4.357 1.00 0.00 C ATOM 752 C LEU A 50 5.960 6.631 2.919 1.00 0.00 C ATOM 753 O LEU A 50 7.027 6.273 2.491 1.00 0.00 O ATOM 754 CB LEU A 50 4.767 5.788 4.808 1.00 0.00 C ATOM 755 CG LEU A 50 5.239 4.353 4.744 1.00 0.00 C ATOM 756 CD1 LEU A 50 5.985 3.969 5.996 1.00 0.00 C ATOM 757 CD2 LEU A 50 4.094 3.430 4.472 1.00 0.00 C ATOM 0 H LEU A 50 4.108 8.026 4.809 1.00 0.00 H new ATOM 0 HA LEU A 50 6.658 6.816 4.922 1.00 0.00 H new ATOM 0 HB2 LEU A 50 4.485 6.005 5.838 1.00 0.00 H new ATOM 0 HB3 LEU A 50 3.863 5.873 4.205 1.00 0.00 H new ATOM 0 HG LEU A 50 5.939 4.260 3.914 1.00 0.00 H new ATOM 0 HD11 LEU A 50 6.312 2.932 5.921 1.00 0.00 H new ATOM 0 HD12 LEU A 50 6.854 4.616 6.115 1.00 0.00 H new ATOM 0 HD13 LEU A 50 5.329 4.081 6.859 1.00 0.00 H new ATOM 0 HD21 LEU A 50 4.457 2.403 4.430 1.00 0.00 H new ATOM 0 HD22 LEU A 50 3.355 3.522 5.268 1.00 0.00 H new ATOM 0 HD23 LEU A 50 3.634 3.692 3.519 1.00 0.00 H new ATOM 769 N GLY A 51 4.936 6.888 2.176 1.00 0.00 N ATOM 770 CA GLY A 51 4.986 6.653 0.772 1.00 0.00 C ATOM 771 C GLY A 51 5.878 7.562 0.047 1.00 0.00 C ATOM 772 O GLY A 51 6.432 7.182 -0.944 1.00 0.00 O ATOM 0 H GLY A 51 4.051 7.262 2.519 1.00 0.00 H new ATOM 0 HA2 GLY A 51 5.309 5.627 0.597 1.00 0.00 H new ATOM 0 HA3 GLY A 51 3.980 6.744 0.363 1.00 0.00 H new ATOM 776 N ALA A 52 6.019 8.766 0.525 1.00 0.00 N ATOM 777 CA ALA A 52 6.984 9.668 -0.036 1.00 0.00 C ATOM 778 C ALA A 52 8.346 9.083 0.159 1.00 0.00 C ATOM 779 O ALA A 52 9.080 8.808 -0.802 1.00 0.00 O ATOM 780 CB ALA A 52 6.879 11.001 0.653 1.00 0.00 C ATOM 0 H ALA A 52 5.478 9.145 1.302 1.00 0.00 H new ATOM 0 HA ALA A 52 6.801 9.813 -1.101 1.00 0.00 H new ATOM 0 HB1 ALA A 52 7.611 11.688 0.229 1.00 0.00 H new ATOM 0 HB2 ALA A 52 5.877 11.406 0.512 1.00 0.00 H new ATOM 0 HB3 ALA A 52 7.073 10.876 1.718 1.00 0.00 H new ATOM 786 N LEU A 53 8.607 8.742 1.388 1.00 0.00 N ATOM 787 CA LEU A 53 9.919 8.279 1.766 1.00 0.00 C ATOM 788 C LEU A 53 10.248 6.986 1.071 1.00 0.00 C ATOM 789 O LEU A 53 11.341 6.813 0.537 1.00 0.00 O ATOM 790 CB LEU A 53 10.039 8.215 3.282 1.00 0.00 C ATOM 791 CG LEU A 53 9.486 7.027 4.083 1.00 0.00 C ATOM 792 CD1 LEU A 53 10.491 5.881 4.130 1.00 0.00 C ATOM 793 CD2 LEU A 53 9.129 7.466 5.497 1.00 0.00 C ATOM 0 H LEU A 53 7.930 8.775 2.150 1.00 0.00 H new ATOM 0 HA LEU A 53 10.672 8.993 1.432 1.00 0.00 H new ATOM 0 HB2 LEU A 53 11.100 8.290 3.519 1.00 0.00 H new ATOM 0 HB3 LEU A 53 9.561 9.112 3.675 1.00 0.00 H new ATOM 0 HG LEU A 53 8.586 6.671 3.581 1.00 0.00 H new ATOM 0 HD11 LEU A 53 10.073 5.054 4.703 1.00 0.00 H new ATOM 0 HD12 LEU A 53 10.709 5.546 3.116 1.00 0.00 H new ATOM 0 HD13 LEU A 53 11.411 6.223 4.604 1.00 0.00 H new ATOM 0 HD21 LEU A 53 8.738 6.615 6.054 1.00 0.00 H new ATOM 0 HD22 LEU A 53 10.020 7.848 5.995 1.00 0.00 H new ATOM 0 HD23 LEU A 53 8.373 8.250 5.455 1.00 0.00 H new ATOM 805 N TYR A 54 9.282 6.124 1.021 1.00 0.00 N ATOM 806 CA TYR A 54 9.448 4.861 0.324 1.00 0.00 C ATOM 807 C TYR A 54 9.597 5.048 -1.165 1.00 0.00 C ATOM 808 O TYR A 54 10.499 4.502 -1.750 1.00 0.00 O ATOM 809 CB TYR A 54 8.338 3.853 0.629 1.00 0.00 C ATOM 810 CG TYR A 54 8.560 3.010 1.872 1.00 0.00 C ATOM 811 CD1 TYR A 54 8.365 3.515 3.134 1.00 0.00 C ATOM 812 CD2 TYR A 54 8.969 1.694 1.762 1.00 0.00 C ATOM 813 CE1 TYR A 54 8.572 2.739 4.255 1.00 0.00 C ATOM 814 CE2 TYR A 54 9.173 0.911 2.877 1.00 0.00 C ATOM 815 CZ TYR A 54 8.975 1.440 4.120 1.00 0.00 C ATOM 816 OH TYR A 54 9.165 0.665 5.235 1.00 0.00 O ATOM 0 H TYR A 54 8.366 6.259 1.450 1.00 0.00 H new ATOM 0 HA TYR A 54 10.377 4.441 0.710 1.00 0.00 H new ATOM 0 HB2 TYR A 54 7.397 4.393 0.738 1.00 0.00 H new ATOM 0 HB3 TYR A 54 8.226 3.188 -0.227 1.00 0.00 H new ATOM 0 HD1 TYR A 54 8.043 4.539 3.251 1.00 0.00 H new ATOM 0 HD2 TYR A 54 9.132 1.271 0.782 1.00 0.00 H new ATOM 0 HE1 TYR A 54 8.416 3.157 5.238 1.00 0.00 H new ATOM 0 HE2 TYR A 54 9.488 -0.116 2.768 1.00 0.00 H new ATOM 0 HH TYR A 54 9.923 0.061 5.089 1.00 0.00 H new ATOM 826 N ALA A 55 8.775 5.904 -1.744 1.00 0.00 N ATOM 827 CA ALA A 55 8.723 6.066 -3.206 1.00 0.00 C ATOM 828 C ALA A 55 9.627 7.190 -3.706 1.00 0.00 C ATOM 829 O ALA A 55 9.513 7.643 -4.854 1.00 0.00 O ATOM 830 CB ALA A 55 7.294 6.273 -3.690 1.00 0.00 C ATOM 0 H ALA A 55 8.128 6.504 -1.232 1.00 0.00 H new ATOM 0 HA ALA A 55 9.102 5.136 -3.630 1.00 0.00 H new ATOM 0 HB1 ALA A 55 7.290 6.389 -4.774 1.00 0.00 H new ATOM 0 HB2 ALA A 55 6.688 5.409 -3.416 1.00 0.00 H new ATOM 0 HB3 ALA A 55 6.879 7.169 -3.228 1.00 0.00 H new ATOM 836 N LYS A 56 10.534 7.616 -2.873 1.00 0.00 N ATOM 837 CA LYS A 56 11.472 8.656 -3.255 1.00 0.00 C ATOM 838 C LYS A 56 12.905 8.254 -2.888 1.00 0.00 C ATOM 839 O LYS A 56 13.859 8.706 -3.515 1.00 0.00 O ATOM 840 CB LYS A 56 11.108 9.970 -2.567 1.00 0.00 C ATOM 841 CG LYS A 56 11.347 11.227 -3.390 1.00 0.00 C ATOM 842 CD LYS A 56 10.437 11.274 -4.629 1.00 0.00 C ATOM 843 CE LYS A 56 8.949 11.118 -4.262 1.00 0.00 C ATOM 844 NZ LYS A 56 8.071 11.285 -5.438 1.00 0.00 N1+ ATOM 0 H LYS A 56 10.651 7.265 -1.923 1.00 0.00 H new ATOM 0 HA LYS A 56 11.415 8.790 -4.335 1.00 0.00 H new ATOM 0 HB2 LYS A 56 10.055 9.934 -2.287 1.00 0.00 H new ATOM 0 HB3 LYS A 56 11.681 10.047 -1.643 1.00 0.00 H new ATOM 0 HG2 LYS A 56 11.167 12.107 -2.772 1.00 0.00 H new ATOM 0 HG3 LYS A 56 12.391 11.265 -3.703 1.00 0.00 H new ATOM 0 HD2 LYS A 56 10.584 12.220 -5.150 1.00 0.00 H new ATOM 0 HD3 LYS A 56 10.725 10.481 -5.320 1.00 0.00 H new ATOM 0 HE2 LYS A 56 8.785 10.134 -3.823 1.00 0.00 H new ATOM 0 HE3 LYS A 56 8.683 11.854 -3.503 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 7.078 11.173 -5.149 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 8.209 12.233 -5.842 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 8.307 10.567 -6.152 1.00 0.00 H new ATOM 858 N SER A 57 13.051 7.401 -1.884 1.00 0.00 N ATOM 859 CA SER A 57 14.366 6.963 -1.453 1.00 0.00 C ATOM 860 C SER A 57 14.834 5.759 -2.306 1.00 0.00 C ATOM 861 O SER A 57 14.171 5.370 -3.250 1.00 0.00 O ATOM 862 CB SER A 57 14.340 6.624 0.053 1.00 0.00 C ATOM 863 OG SER A 57 15.631 6.300 0.554 1.00 0.00 O ATOM 0 H SER A 57 12.276 7.001 -1.355 1.00 0.00 H new ATOM 0 HA SER A 57 15.085 7.769 -1.601 1.00 0.00 H new ATOM 0 HB2 SER A 57 13.940 7.473 0.608 1.00 0.00 H new ATOM 0 HB3 SER A 57 13.665 5.785 0.223 1.00 0.00 H new ATOM 0 HG SER A 57 15.585 5.462 1.061 1.00 0.00 H new ATOM 869 N GLU A 58 15.922 5.139 -1.903 1.00 0.00 N ATOM 870 CA GLU A 58 16.615 4.073 -2.656 1.00 0.00 C ATOM 871 C GLU A 58 15.858 2.735 -2.664 1.00 0.00 C ATOM 872 O GLU A 58 16.410 1.706 -3.070 1.00 0.00 O ATOM 873 CB GLU A 58 17.962 3.836 -2.013 1.00 0.00 C ATOM 874 CG GLU A 58 18.777 5.083 -1.837 1.00 0.00 C ATOM 875 CD GLU A 58 20.036 4.817 -1.090 1.00 0.00 C ATOM 876 OE1 GLU A 58 19.989 4.709 0.158 1.00 0.00 O ATOM 877 OE2 GLU A 58 21.110 4.723 -1.725 1.00 0.00 O1- ATOM 0 H GLU A 58 16.376 5.357 -1.016 1.00 0.00 H new ATOM 0 HA GLU A 58 16.693 4.413 -3.689 1.00 0.00 H new ATOM 0 HB2 GLU A 58 17.812 3.371 -1.039 1.00 0.00 H new ATOM 0 HB3 GLU A 58 18.525 3.128 -2.621 1.00 0.00 H new ATOM 0 HG2 GLU A 58 19.016 5.503 -2.814 1.00 0.00 H new ATOM 0 HG3 GLU A 58 18.189 5.830 -1.304 1.00 0.00 H new ATOM 884 N PHE A 59 14.632 2.739 -2.248 1.00 0.00 N ATOM 885 CA PHE A 59 13.880 1.529 -2.160 1.00 0.00 C ATOM 886 C PHE A 59 12.511 1.660 -2.783 1.00 0.00 C ATOM 887 O PHE A 59 11.692 0.762 -2.684 1.00 0.00 O ATOM 888 CB PHE A 59 13.853 0.972 -0.721 1.00 0.00 C ATOM 889 CG PHE A 59 13.617 1.978 0.380 1.00 0.00 C ATOM 890 CD1 PHE A 59 14.688 2.636 0.966 1.00 0.00 C ATOM 891 CD2 PHE A 59 12.347 2.241 0.849 1.00 0.00 C ATOM 892 CE1 PHE A 59 14.495 3.534 1.992 1.00 0.00 C ATOM 893 CE2 PHE A 59 12.150 3.146 1.877 1.00 0.00 C ATOM 894 CZ PHE A 59 13.224 3.789 2.448 1.00 0.00 C ATOM 0 H PHE A 59 14.126 3.577 -1.961 1.00 0.00 H new ATOM 0 HA PHE A 59 14.399 0.780 -2.758 1.00 0.00 H new ATOM 0 HB2 PHE A 59 13.074 0.212 -0.663 1.00 0.00 H new ATOM 0 HB3 PHE A 59 14.802 0.471 -0.530 1.00 0.00 H new ATOM 0 HD1 PHE A 59 15.690 2.441 0.612 1.00 0.00 H new ATOM 0 HD2 PHE A 59 11.499 1.736 0.410 1.00 0.00 H new ATOM 0 HE1 PHE A 59 15.341 4.037 2.437 1.00 0.00 H new ATOM 0 HE2 PHE A 59 11.150 3.348 2.232 1.00 0.00 H new ATOM 0 HZ PHE A 59 13.069 4.492 3.253 1.00 0.00 H new ATOM 904 N LYS A 60 12.309 2.756 -3.499 1.00 0.00 N ATOM 905 CA LYS A 60 11.076 3.027 -4.255 1.00 0.00 C ATOM 906 C LYS A 60 10.915 2.062 -5.424 1.00 0.00 C ATOM 907 O LYS A 60 9.864 1.979 -6.063 1.00 0.00 O ATOM 908 CB LYS A 60 11.134 4.459 -4.769 1.00 0.00 C ATOM 909 CG LYS A 60 12.386 4.782 -5.533 1.00 0.00 C ATOM 910 CD LYS A 60 12.468 6.234 -5.937 1.00 0.00 C ATOM 911 CE LYS A 60 13.839 6.560 -6.499 1.00 0.00 C ATOM 912 NZ LYS A 60 14.128 5.828 -7.744 1.00 0.00 N1+ ATOM 0 H LYS A 60 13.003 3.499 -3.578 1.00 0.00 H new ATOM 0 HA LYS A 60 10.218 2.890 -3.597 1.00 0.00 H new ATOM 0 HB2 LYS A 60 10.272 4.639 -5.411 1.00 0.00 H new ATOM 0 HB3 LYS A 60 11.050 5.142 -3.923 1.00 0.00 H new ATOM 0 HG2 LYS A 60 13.253 4.530 -4.923 1.00 0.00 H new ATOM 0 HG3 LYS A 60 12.432 4.158 -6.426 1.00 0.00 H new ATOM 0 HD2 LYS A 60 11.703 6.453 -6.682 1.00 0.00 H new ATOM 0 HD3 LYS A 60 12.263 6.868 -5.075 1.00 0.00 H new ATOM 0 HE2 LYS A 60 13.905 7.631 -6.688 1.00 0.00 H new ATOM 0 HE3 LYS A 60 14.599 6.320 -5.756 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 15.046 6.136 -8.123 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 14.160 4.807 -7.547 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 13.383 6.023 -8.442 1.00 0.00 H new ATOM 926 N ASP A 61 11.974 1.384 -5.708 1.00 0.00 N ATOM 927 CA ASP A 61 12.056 0.408 -6.756 1.00 0.00 C ATOM 928 C ASP A 61 12.235 -0.974 -6.137 1.00 0.00 C ATOM 929 O ASP A 61 12.620 -1.935 -6.807 1.00 0.00 O ATOM 930 CB ASP A 61 13.257 0.749 -7.646 1.00 0.00 C ATOM 931 CG ASP A 61 14.576 0.740 -6.886 1.00 0.00 C ATOM 932 OD1 ASP A 61 14.773 1.581 -5.981 1.00 0.00 O1- ATOM 933 OD2 ASP A 61 15.438 -0.112 -7.175 1.00 0.00 O ATOM 0 H ASP A 61 12.849 1.495 -5.196 1.00 0.00 H new ATOM 0 HA ASP A 61 11.146 0.412 -7.356 1.00 0.00 H new ATOM 0 HB2 ASP A 61 13.311 0.033 -8.466 1.00 0.00 H new ATOM 0 HB3 ASP A 61 13.106 1.733 -8.091 1.00 0.00 H new ATOM 938 N ARG A 62 11.926 -1.077 -4.860 1.00 0.00 N ATOM 939 CA ARG A 62 12.086 -2.326 -4.138 1.00 0.00 C ATOM 940 C ARG A 62 10.770 -2.689 -3.486 1.00 0.00 C ATOM 941 O ARG A 62 10.331 -3.832 -3.480 1.00 0.00 O ATOM 942 CB ARG A 62 13.190 -2.180 -3.091 1.00 0.00 C ATOM 943 CG ARG A 62 13.939 -3.467 -2.840 1.00 0.00 C ATOM 944 CD ARG A 62 15.069 -3.310 -1.824 1.00 0.00 C ATOM 945 NE ARG A 62 14.609 -3.438 -0.425 1.00 0.00 N ATOM 946 CZ ARG A 62 15.239 -2.922 0.652 1.00 0.00 C ATOM 947 NH1 ARG A 62 16.214 -2.037 0.508 1.00 0.00 N1+ ATOM 948 NH2 ARG A 62 14.885 -3.294 1.872 1.00 0.00 N ATOM 0 H ARG A 62 11.561 -0.308 -4.298 1.00 0.00 H new ATOM 0 HA ARG A 62 12.373 -3.122 -4.825 1.00 0.00 H new ATOM 0 HB2 ARG A 62 13.894 -1.414 -3.417 1.00 0.00 H new ATOM 0 HB3 ARG A 62 12.752 -1.832 -2.155 1.00 0.00 H new ATOM 0 HG2 ARG A 62 13.240 -4.224 -2.484 1.00 0.00 H new ATOM 0 HG3 ARG A 62 14.352 -3.831 -3.781 1.00 0.00 H new ATOM 0 HD2 ARG A 62 15.833 -4.062 -2.020 1.00 0.00 H new ATOM 0 HD3 ARG A 62 15.539 -2.336 -1.959 1.00 0.00 H new ATOM 0 HE ARG A 62 13.747 -3.958 -0.260 1.00 0.00 H new ATOM 0 HH11 ARG A 62 16.497 -1.737 -0.425 1.00 0.00 H new ATOM 0 HH12 ARG A 62 16.682 -1.655 1.330 1.00 0.00 H new ATOM 0 HH21 ARG A 62 14.134 -3.972 2.001 1.00 0.00 H new ATOM 0 HH22 ARG A 62 15.363 -2.902 2.683 1.00 0.00 H new ATOM 962 N VAL A 63 10.216 -1.714 -2.907 1.00 0.00 N ATOM 963 CA VAL A 63 8.929 -1.703 -2.321 1.00 0.00 C ATOM 964 C VAL A 63 8.194 -0.455 -2.810 1.00 0.00 C ATOM 965 O VAL A 63 8.802 0.589 -3.015 1.00 0.00 O ATOM 966 CB VAL A 63 9.063 -1.676 -0.782 1.00 0.00 C ATOM 967 CG1 VAL A 63 10.111 -0.685 -0.363 1.00 0.00 C ATOM 968 CG2 VAL A 63 7.740 -1.365 -0.090 1.00 0.00 C ATOM 0 H VAL A 63 10.686 -0.813 -2.816 1.00 0.00 H new ATOM 0 HA VAL A 63 8.371 -2.596 -2.604 1.00 0.00 H new ATOM 0 HB VAL A 63 9.366 -2.676 -0.471 1.00 0.00 H new ATOM 0 HG11 VAL A 63 10.192 -0.679 0.724 1.00 0.00 H new ATOM 0 HG12 VAL A 63 11.071 -0.965 -0.797 1.00 0.00 H new ATOM 0 HG13 VAL A 63 9.832 0.309 -0.711 1.00 0.00 H new ATOM 0 HG21 VAL A 63 7.887 -1.358 0.990 1.00 0.00 H new ATOM 0 HG22 VAL A 63 7.381 -0.388 -0.414 1.00 0.00 H new ATOM 0 HG23 VAL A 63 7.005 -2.127 -0.351 1.00 0.00 H new ATOM 978 N VAL A 64 6.927 -0.580 -3.034 1.00 0.00 N ATOM 979 CA VAL A 64 6.118 0.526 -3.454 1.00 0.00 C ATOM 980 C VAL A 64 4.929 0.632 -2.528 1.00 0.00 C ATOM 981 O VAL A 64 4.281 -0.377 -2.217 1.00 0.00 O ATOM 982 CB VAL A 64 5.642 0.375 -4.938 1.00 0.00 C ATOM 983 CG1 VAL A 64 4.637 1.457 -5.314 1.00 0.00 C ATOM 984 CG2 VAL A 64 6.830 0.447 -5.882 1.00 0.00 C ATOM 0 H VAL A 64 6.417 -1.457 -2.931 1.00 0.00 H new ATOM 0 HA VAL A 64 6.718 1.435 -3.406 1.00 0.00 H new ATOM 0 HB VAL A 64 5.157 -0.597 -5.029 1.00 0.00 H new ATOM 0 HG11 VAL A 64 4.328 1.322 -6.350 1.00 0.00 H new ATOM 0 HG12 VAL A 64 3.765 1.386 -4.663 1.00 0.00 H new ATOM 0 HG13 VAL A 64 5.098 2.438 -5.198 1.00 0.00 H new ATOM 0 HG21 VAL A 64 6.485 0.341 -6.910 1.00 0.00 H new ATOM 0 HG22 VAL A 64 7.330 1.408 -5.765 1.00 0.00 H new ATOM 0 HG23 VAL A 64 7.529 -0.356 -5.649 1.00 0.00 H new ATOM 994 N ILE A 65 4.676 1.820 -2.026 1.00 0.00 N ATOM 995 CA ILE A 65 3.531 2.032 -1.223 1.00 0.00 C ATOM 996 C ILE A 65 2.422 2.416 -2.175 1.00 0.00 C ATOM 997 O ILE A 65 2.550 3.400 -2.912 1.00 0.00 O ATOM 998 CB ILE A 65 3.783 3.159 -0.184 1.00 0.00 C ATOM 999 CG1 ILE A 65 5.043 2.857 0.639 1.00 0.00 C ATOM 1000 CG2 ILE A 65 2.595 3.328 0.740 1.00 0.00 C ATOM 1001 CD1 ILE A 65 5.019 1.531 1.380 1.00 0.00 C ATOM 0 H ILE A 65 5.259 2.644 -2.170 1.00 0.00 H new ATOM 0 HA ILE A 65 3.275 1.139 -0.654 1.00 0.00 H new ATOM 0 HB ILE A 65 3.927 4.090 -0.732 1.00 0.00 H new ATOM 0 HG12 ILE A 65 5.906 2.869 -0.027 1.00 0.00 H new ATOM 0 HG13 ILE A 65 5.188 3.659 1.363 1.00 0.00 H new ATOM 0 HG21 ILE A 65 2.801 4.124 1.456 1.00 0.00 H new ATOM 0 HG22 ILE A 65 1.713 3.586 0.155 1.00 0.00 H new ATOM 0 HG23 ILE A 65 2.415 2.396 1.276 1.00 0.00 H new ATOM 0 HD11 ILE A 65 5.950 1.406 1.932 1.00 0.00 H new ATOM 0 HD12 ILE A 65 4.180 1.518 2.076 1.00 0.00 H new ATOM 0 HD13 ILE A 65 4.910 0.716 0.664 1.00 0.00 H new ATOM 1013 N ALA A 66 1.407 1.610 -2.232 1.00 0.00 N ATOM 1014 CA ALA A 66 0.292 1.845 -3.149 1.00 0.00 C ATOM 1015 C ALA A 66 -1.053 1.922 -2.423 1.00 0.00 C ATOM 1016 O ALA A 66 -1.189 1.466 -1.292 1.00 0.00 O ATOM 1017 CB ALA A 66 0.251 0.745 -4.198 1.00 0.00 C ATOM 0 H ALA A 66 1.311 0.773 -1.657 1.00 0.00 H new ATOM 0 HA ALA A 66 0.458 2.811 -3.626 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -0.581 0.923 -4.880 1.00 0.00 H new ATOM 0 HB2 ALA A 66 1.186 0.742 -4.759 1.00 0.00 H new ATOM 0 HB3 ALA A 66 0.119 -0.220 -3.708 1.00 0.00 H new ATOM 1023 N LYS A 67 -2.048 2.500 -3.076 1.00 0.00 N ATOM 1024 CA LYS A 67 -3.380 2.565 -2.527 1.00 0.00 C ATOM 1025 C LYS A 67 -4.378 2.623 -3.643 1.00 0.00 C ATOM 1026 O LYS A 67 -4.115 3.238 -4.674 1.00 0.00 O ATOM 1027 CB LYS A 67 -3.580 3.729 -1.517 1.00 0.00 C ATOM 1028 CG LYS A 67 -3.288 5.139 -2.012 1.00 0.00 C ATOM 1029 CD LYS A 67 -3.580 6.151 -0.901 1.00 0.00 C ATOM 1030 CE LYS A 67 -3.313 7.577 -1.340 1.00 0.00 C ATOM 1031 NZ LYS A 67 -3.474 8.550 -0.234 1.00 0.00 N1+ ATOM 0 H LYS A 67 -1.950 2.933 -3.995 1.00 0.00 H new ATOM 0 HA LYS A 67 -3.538 1.657 -1.945 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -4.613 3.700 -1.169 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -2.946 3.537 -0.651 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -2.246 5.217 -2.322 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -3.898 5.360 -2.887 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -4.621 6.057 -0.591 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -2.966 5.920 -0.031 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -2.301 7.648 -1.738 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -3.993 7.838 -2.151 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -3.850 9.444 -0.610 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -4.134 8.167 0.472 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -2.551 8.723 0.213 1.00 0.00 H new ATOM 1045 N VAL A 68 -5.492 1.979 -3.456 1.00 0.00 N ATOM 1046 CA VAL A 68 -6.521 1.918 -4.466 1.00 0.00 C ATOM 1047 C VAL A 68 -7.801 2.446 -3.885 1.00 0.00 C ATOM 1048 O VAL A 68 -8.117 2.195 -2.711 1.00 0.00 O ATOM 1049 CB VAL A 68 -6.752 0.454 -5.001 1.00 0.00 C ATOM 1050 CG1 VAL A 68 -7.154 -0.465 -3.872 1.00 0.00 C ATOM 1051 CG2 VAL A 68 -7.833 0.420 -6.083 1.00 0.00 C ATOM 0 H VAL A 68 -5.719 1.477 -2.597 1.00 0.00 H new ATOM 0 HA VAL A 68 -6.197 2.524 -5.312 1.00 0.00 H new ATOM 0 HB VAL A 68 -5.811 0.114 -5.434 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -7.309 -1.472 -4.260 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -6.365 -0.484 -3.120 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -8.078 -0.104 -3.420 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -7.968 -0.604 -6.431 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -8.772 0.790 -5.671 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -7.531 1.050 -6.919 1.00 0.00 H new ATOM 1061 N ASP A 69 -8.511 3.196 -4.652 1.00 0.00 N ATOM 1062 CA ASP A 69 -9.781 3.669 -4.205 1.00 0.00 C ATOM 1063 C ASP A 69 -10.759 2.556 -4.481 1.00 0.00 C ATOM 1064 O ASP A 69 -11.068 2.277 -5.634 1.00 0.00 O ATOM 1065 CB ASP A 69 -10.185 4.952 -4.920 1.00 0.00 C ATOM 1066 CG ASP A 69 -11.440 5.542 -4.363 1.00 0.00 C ATOM 1067 OD1 ASP A 69 -12.441 4.844 -4.333 1.00 0.00 O ATOM 1068 OD2 ASP A 69 -11.435 6.738 -3.994 1.00 0.00 O1- ATOM 0 H ASP A 69 -8.239 3.496 -5.588 1.00 0.00 H new ATOM 0 HA ASP A 69 -9.754 3.919 -3.144 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -9.377 5.680 -4.839 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -10.323 4.746 -5.981 1.00 0.00 H new ATOM 1073 N ALA A 70 -11.217 1.937 -3.430 1.00 0.00 N ATOM 1074 CA ALA A 70 -12.027 0.731 -3.487 1.00 0.00 C ATOM 1075 C ALA A 70 -13.471 1.020 -3.863 1.00 0.00 C ATOM 1076 O ALA A 70 -14.245 0.105 -4.171 1.00 0.00 O ATOM 1077 CB ALA A 70 -11.977 0.048 -2.129 1.00 0.00 C ATOM 0 H ALA A 70 -11.038 2.258 -2.479 1.00 0.00 H new ATOM 0 HA ALA A 70 -11.619 0.084 -4.263 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -12.580 -0.859 -2.156 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -10.945 -0.209 -1.889 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -12.369 0.722 -1.368 1.00 0.00 H new ATOM 1083 N THR A 71 -13.836 2.264 -3.846 1.00 0.00 N ATOM 1084 CA THR A 71 -15.196 2.627 -4.112 1.00 0.00 C ATOM 1085 C THR A 71 -15.350 3.263 -5.492 1.00 0.00 C ATOM 1086 O THR A 71 -16.407 3.143 -6.130 1.00 0.00 O ATOM 1087 CB THR A 71 -15.774 3.518 -2.975 1.00 0.00 C ATOM 1088 OG1 THR A 71 -17.128 3.906 -3.240 1.00 0.00 O ATOM 1089 CG2 THR A 71 -14.924 4.743 -2.747 1.00 0.00 C ATOM 0 H THR A 71 -13.212 3.047 -3.651 1.00 0.00 H new ATOM 0 HA THR A 71 -15.789 1.713 -4.128 1.00 0.00 H new ATOM 0 HB THR A 71 -15.762 2.913 -2.068 1.00 0.00 H new ATOM 0 HG1 THR A 71 -17.511 4.325 -2.441 1.00 0.00 H new ATOM 0 HG21 THR A 71 -15.357 5.342 -1.946 1.00 0.00 H new ATOM 0 HG22 THR A 71 -13.915 4.439 -2.468 1.00 0.00 H new ATOM 0 HG23 THR A 71 -14.885 5.334 -3.662 1.00 0.00 H new ATOM 1097 N ALA A 72 -14.295 3.880 -5.979 1.00 0.00 N ATOM 1098 CA ALA A 72 -14.317 4.498 -7.266 1.00 0.00 C ATOM 1099 C ALA A 72 -13.927 3.461 -8.251 1.00 0.00 C ATOM 1100 O ALA A 72 -14.423 3.409 -9.383 1.00 0.00 O ATOM 1101 CB ALA A 72 -13.336 5.654 -7.310 1.00 0.00 C ATOM 0 H ALA A 72 -13.405 3.961 -5.487 1.00 0.00 H new ATOM 0 HA ALA A 72 -15.308 4.894 -7.489 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -13.363 6.116 -8.297 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -13.609 6.392 -6.556 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -12.330 5.285 -7.109 1.00 0.00 H new ATOM 1107 N ASN A 73 -13.054 2.611 -7.809 1.00 0.00 N ATOM 1108 CA ASN A 73 -12.576 1.552 -8.596 1.00 0.00 C ATOM 1109 C ASN A 73 -12.953 0.287 -7.883 1.00 0.00 C ATOM 1110 O ASN A 73 -12.370 -0.041 -6.855 1.00 0.00 O ATOM 1111 CB ASN A 73 -11.054 1.623 -8.752 1.00 0.00 C ATOM 1112 CG ASN A 73 -10.507 3.009 -9.057 1.00 0.00 C ATOM 1113 OD1 ASN A 73 -10.437 3.437 -10.203 1.00 0.00 O ATOM 1114 ND2 ASN A 73 -10.079 3.701 -8.031 1.00 0.00 N ATOM 0 H ASN A 73 -12.655 2.647 -6.871 1.00 0.00 H new ATOM 0 HA ASN A 73 -13.006 1.597 -9.596 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -10.592 1.259 -7.834 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -10.753 0.945 -9.551 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -9.673 4.626 -8.173 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -10.152 3.315 -7.090 1.00 0.00 H new ATOM 1121 N ASP A 74 -13.960 -0.382 -8.376 1.00 0.00 N ATOM 1122 CA ASP A 74 -14.456 -1.587 -7.729 1.00 0.00 C ATOM 1123 C ASP A 74 -13.462 -2.707 -7.864 1.00 0.00 C ATOM 1124 O ASP A 74 -13.125 -3.139 -8.977 1.00 0.00 O ATOM 1125 CB ASP A 74 -15.812 -2.008 -8.276 1.00 0.00 C ATOM 1126 CG ASP A 74 -16.303 -3.293 -7.648 1.00 0.00 C ATOM 1127 OD1 ASP A 74 -16.792 -3.266 -6.497 1.00 0.00 O ATOM 1128 OD2 ASP A 74 -16.231 -4.348 -8.303 1.00 0.00 O1- ATOM 0 H ASP A 74 -14.460 -0.120 -9.225 1.00 0.00 H new ATOM 0 HA ASP A 74 -14.587 -1.358 -6.671 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -16.538 -1.215 -8.094 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -15.743 -2.136 -9.356 1.00 0.00 H new ATOM 1133 N VAL A 75 -12.996 -3.173 -6.750 1.00 0.00 N ATOM 1134 CA VAL A 75 -11.965 -4.157 -6.729 1.00 0.00 C ATOM 1135 C VAL A 75 -12.535 -5.570 -6.710 1.00 0.00 C ATOM 1136 O VAL A 75 -13.594 -5.827 -6.125 1.00 0.00 O ATOM 1137 CB VAL A 75 -10.980 -3.945 -5.549 1.00 0.00 C ATOM 1138 CG1 VAL A 75 -10.334 -2.563 -5.639 1.00 0.00 C ATOM 1139 CG2 VAL A 75 -11.670 -4.143 -4.198 1.00 0.00 C ATOM 0 H VAL A 75 -13.321 -2.881 -5.828 1.00 0.00 H new ATOM 0 HA VAL A 75 -11.401 -4.035 -7.654 1.00 0.00 H new ATOM 0 HB VAL A 75 -10.197 -4.699 -5.624 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -9.645 -2.428 -4.805 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -9.787 -2.477 -6.578 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -11.108 -1.796 -5.598 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -10.950 -3.987 -3.395 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -12.486 -3.427 -4.098 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -12.067 -5.156 -4.137 1.00 0.00 H new ATOM 1149 N PRO A 76 -11.842 -6.502 -7.365 1.00 0.00 N ATOM 1150 CA PRO A 76 -12.251 -7.909 -7.426 1.00 0.00 C ATOM 1151 C PRO A 76 -11.840 -8.661 -6.162 1.00 0.00 C ATOM 1152 O PRO A 76 -12.235 -9.806 -5.930 1.00 0.00 O ATOM 1153 CB PRO A 76 -11.443 -8.429 -8.617 1.00 0.00 C ATOM 1154 CG PRO A 76 -10.189 -7.634 -8.573 1.00 0.00 C ATOM 1155 CD PRO A 76 -10.599 -6.260 -8.144 1.00 0.00 C ATOM 0 HA PRO A 76 -13.330 -8.036 -7.517 1.00 0.00 H new ATOM 0 HB2 PRO A 76 -11.242 -9.497 -8.528 1.00 0.00 H new ATOM 0 HB3 PRO A 76 -11.976 -8.282 -9.556 1.00 0.00 H new ATOM 0 HG2 PRO A 76 -9.475 -8.067 -7.872 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -9.704 -7.612 -9.549 1.00 0.00 H new ATOM 0 HD2 PRO A 76 -9.830 -5.782 -7.537 1.00 0.00 H new ATOM 0 HD3 PRO A 76 -10.780 -5.609 -8.999 1.00 0.00 H new ATOM 1163 N ASP A 77 -11.062 -8.005 -5.345 1.00 0.00 N ATOM 1164 CA ASP A 77 -10.526 -8.614 -4.157 1.00 0.00 C ATOM 1165 C ASP A 77 -11.518 -8.467 -2.996 1.00 0.00 C ATOM 1166 O ASP A 77 -12.643 -7.981 -3.197 1.00 0.00 O ATOM 1167 CB ASP A 77 -9.176 -8.000 -3.818 1.00 0.00 C ATOM 1168 CG ASP A 77 -8.321 -8.945 -3.009 1.00 0.00 C ATOM 1169 OD1 ASP A 77 -8.392 -8.919 -1.778 1.00 0.00 O ATOM 1170 OD2 ASP A 77 -7.577 -9.755 -3.606 1.00 0.00 O1- ATOM 0 H ASP A 77 -10.782 -7.034 -5.483 1.00 0.00 H new ATOM 0 HA ASP A 77 -10.374 -9.679 -4.334 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -8.655 -7.735 -4.738 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -9.326 -7.076 -3.259 1.00 0.00 H new ATOM 1175 N GLU A 78 -11.108 -8.844 -1.808 1.00 0.00 N ATOM 1176 CA GLU A 78 -11.977 -8.878 -0.673 1.00 0.00 C ATOM 1177 C GLU A 78 -11.567 -7.830 0.348 1.00 0.00 C ATOM 1178 O GLU A 78 -10.394 -7.724 0.720 1.00 0.00 O ATOM 1179 CB GLU A 78 -11.958 -10.276 -0.043 1.00 0.00 C ATOM 1180 CG GLU A 78 -12.872 -10.433 1.160 1.00 0.00 C ATOM 1181 CD GLU A 78 -12.826 -11.814 1.747 1.00 0.00 C ATOM 1182 OE1 GLU A 78 -13.628 -12.686 1.330 1.00 0.00 O1- ATOM 1183 OE2 GLU A 78 -12.018 -12.061 2.652 1.00 0.00 O ATOM 0 H GLU A 78 -10.152 -9.137 -1.608 1.00 0.00 H new ATOM 0 HA GLU A 78 -12.991 -8.652 -1.002 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -12.244 -11.006 -0.800 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -10.937 -10.512 0.258 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -12.588 -9.709 1.923 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -13.896 -10.202 0.866 1.00 0.00 H new ATOM 1190 N ILE A 79 -12.525 -7.060 0.776 1.00 0.00 N ATOM 1191 CA ILE A 79 -12.323 -6.064 1.788 1.00 0.00 C ATOM 1192 C ILE A 79 -12.436 -6.736 3.163 1.00 0.00 C ATOM 1193 O ILE A 79 -13.408 -7.449 3.440 1.00 0.00 O ATOM 1194 CB ILE A 79 -13.374 -4.935 1.663 1.00 0.00 C ATOM 1195 CG1 ILE A 79 -13.281 -4.221 0.298 1.00 0.00 C ATOM 1196 CG2 ILE A 79 -13.210 -3.938 2.777 1.00 0.00 C ATOM 1197 CD1 ILE A 79 -12.010 -3.411 0.097 1.00 0.00 C ATOM 0 H ILE A 79 -13.482 -7.107 0.427 1.00 0.00 H new ATOM 0 HA ILE A 79 -11.335 -5.619 1.667 1.00 0.00 H new ATOM 0 HB ILE A 79 -14.359 -5.395 1.736 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -13.351 -4.967 -0.494 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -14.140 -3.559 0.189 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -13.957 -3.151 2.674 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -13.341 -4.439 3.736 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -12.213 -3.500 2.730 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -12.028 -2.944 -0.888 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -11.945 -2.639 0.864 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -11.144 -4.069 0.171 1.00 0.00 H new ATOM 1209 N GLN A 80 -11.466 -6.498 4.005 1.00 0.00 N ATOM 1210 CA GLN A 80 -11.382 -7.149 5.299 1.00 0.00 C ATOM 1211 C GLN A 80 -12.132 -6.327 6.380 1.00 0.00 C ATOM 1212 O GLN A 80 -12.566 -6.860 7.410 1.00 0.00 O ATOM 1213 CB GLN A 80 -9.884 -7.389 5.594 1.00 0.00 C ATOM 1214 CG GLN A 80 -9.519 -8.177 6.850 1.00 0.00 C ATOM 1215 CD GLN A 80 -9.447 -7.359 8.127 1.00 0.00 C ATOM 1216 OE1 GLN A 80 -9.044 -6.124 8.028 1.00 0.00 O flip ATOM 1217 NE2 GLN A 80 -9.704 -7.871 9.209 1.00 0.00 N flip ATOM 0 H GLN A 80 -10.705 -5.845 3.818 1.00 0.00 H new ATOM 0 HA GLN A 80 -11.885 -8.116 5.304 1.00 0.00 H new ATOM 0 HB2 GLN A 80 -9.454 -7.908 4.737 1.00 0.00 H new ATOM 0 HB3 GLN A 80 -9.396 -6.416 5.656 1.00 0.00 H new ATOM 0 HG2 GLN A 80 -10.252 -8.972 6.987 1.00 0.00 H new ATOM 0 HG3 GLN A 80 -8.554 -8.658 6.690 1.00 0.00 H new ATOM 0 HE21 GLN A 80 -10.017 -8.841 9.253 1.00 0.00 H new ATOM 0 HE22 GLN A 80 -9.605 -7.328 10.067 1.00 0.00 H new ATOM 1226 N GLY A 81 -12.288 -5.054 6.114 1.00 0.00 N ATOM 1227 CA GLY A 81 -13.067 -4.155 6.970 1.00 0.00 C ATOM 1228 C GLY A 81 -13.856 -3.225 6.088 1.00 0.00 C ATOM 1229 O GLY A 81 -14.850 -3.636 5.484 1.00 0.00 O ATOM 0 H GLY A 81 -11.882 -4.598 5.297 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -13.736 -4.728 7.612 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -12.406 -3.587 7.625 1.00 0.00 H new ATOM 1233 N PHE A 82 -13.436 -1.994 5.999 1.00 0.00 N ATOM 1234 CA PHE A 82 -13.932 -1.114 4.962 1.00 0.00 C ATOM 1235 C PHE A 82 -12.739 -0.718 4.093 1.00 0.00 C ATOM 1236 O PHE A 82 -12.766 -0.927 2.889 1.00 0.00 O ATOM 1237 CB PHE A 82 -14.792 0.083 5.449 1.00 0.00 C ATOM 1238 CG PHE A 82 -15.291 0.951 4.311 1.00 0.00 C ATOM 1239 CD1 PHE A 82 -14.502 1.972 3.775 1.00 0.00 C ATOM 1240 CD2 PHE A 82 -16.546 0.741 3.773 1.00 0.00 C ATOM 1241 CE1 PHE A 82 -14.966 2.751 2.738 1.00 0.00 C ATOM 1242 CE2 PHE A 82 -17.014 1.523 2.734 1.00 0.00 C ATOM 1243 CZ PHE A 82 -16.224 2.531 2.218 1.00 0.00 C ATOM 0 H PHE A 82 -12.753 -1.572 6.628 1.00 0.00 H new ATOM 0 HA PHE A 82 -14.666 -1.658 4.367 1.00 0.00 H new ATOM 0 HB2 PHE A 82 -15.645 -0.294 6.013 1.00 0.00 H new ATOM 0 HB3 PHE A 82 -14.202 0.693 6.133 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -13.517 2.153 4.179 1.00 0.00 H new ATOM 0 HD2 PHE A 82 -17.170 -0.046 4.170 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -14.344 3.535 2.332 1.00 0.00 H new ATOM 0 HE2 PHE A 82 -17.998 1.346 2.326 1.00 0.00 H new ATOM 0 HZ PHE A 82 -16.590 3.146 1.409 1.00 0.00 H new ATOM 1253 N PRO A 83 -11.665 -0.116 4.649 1.00 0.00 N ATOM 1254 CA PRO A 83 -10.433 -0.073 3.949 1.00 0.00 C ATOM 1255 C PRO A 83 -9.620 -1.274 4.339 1.00 0.00 C ATOM 1256 O PRO A 83 -9.923 -1.954 5.341 1.00 0.00 O ATOM 1257 CB PRO A 83 -9.761 1.194 4.432 1.00 0.00 C ATOM 1258 CG PRO A 83 -10.713 1.813 5.391 1.00 0.00 C ATOM 1259 CD PRO A 83 -11.567 0.680 5.871 1.00 0.00 C ATOM 0 HA PRO A 83 -10.551 -0.080 2.865 1.00 0.00 H new ATOM 0 HB2 PRO A 83 -8.808 0.973 4.913 1.00 0.00 H new ATOM 0 HB3 PRO A 83 -9.550 1.867 3.601 1.00 0.00 H new ATOM 0 HG2 PRO A 83 -10.187 2.289 6.218 1.00 0.00 H new ATOM 0 HG3 PRO A 83 -11.314 2.584 4.909 1.00 0.00 H new ATOM 0 HD2 PRO A 83 -11.103 0.129 6.689 1.00 0.00 H new ATOM 0 HD3 PRO A 83 -12.541 1.017 6.226 1.00 0.00 H new ATOM 1267 N THR A 84 -8.630 -1.568 3.599 1.00 0.00 N ATOM 1268 CA THR A 84 -7.848 -2.745 3.884 1.00 0.00 C ATOM 1269 C THR A 84 -6.436 -2.593 3.368 1.00 0.00 C ATOM 1270 O THR A 84 -6.226 -2.101 2.284 1.00 0.00 O ATOM 1271 CB THR A 84 -8.532 -4.028 3.279 1.00 0.00 C ATOM 1272 OG1 THR A 84 -9.840 -4.212 3.874 1.00 0.00 O ATOM 1273 CG2 THR A 84 -7.704 -5.280 3.520 1.00 0.00 C ATOM 0 H THR A 84 -8.325 -1.027 2.790 1.00 0.00 H new ATOM 0 HA THR A 84 -7.798 -2.865 4.966 1.00 0.00 H new ATOM 0 HB THR A 84 -8.618 -3.875 2.203 1.00 0.00 H new ATOM 0 HG1 THR A 84 -9.915 -3.656 4.678 1.00 0.00 H new ATOM 0 HG21 THR A 84 -8.212 -6.141 3.087 1.00 0.00 H new ATOM 0 HG22 THR A 84 -6.725 -5.164 3.055 1.00 0.00 H new ATOM 0 HG23 THR A 84 -7.580 -5.433 4.592 1.00 0.00 H new ATOM 1281 N ILE A 85 -5.488 -2.963 4.166 1.00 0.00 N ATOM 1282 CA ILE A 85 -4.133 -2.982 3.736 1.00 0.00 C ATOM 1283 C ILE A 85 -3.802 -4.391 3.368 1.00 0.00 C ATOM 1284 O ILE A 85 -4.219 -5.308 4.024 1.00 0.00 O ATOM 1285 CB ILE A 85 -3.132 -2.466 4.807 1.00 0.00 C ATOM 1286 CG1 ILE A 85 -3.399 -1.002 5.130 1.00 0.00 C ATOM 1287 CG2 ILE A 85 -1.674 -2.668 4.369 1.00 0.00 C ATOM 1288 CD1 ILE A 85 -2.378 -0.396 6.060 1.00 0.00 C ATOM 0 H ILE A 85 -5.633 -3.259 5.131 1.00 0.00 H new ATOM 0 HA ILE A 85 -4.034 -2.303 2.889 1.00 0.00 H new ATOM 0 HB ILE A 85 -3.286 -3.056 5.710 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -3.418 -0.431 4.202 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -4.388 -0.912 5.580 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -1.006 -2.294 5.145 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -1.486 -3.730 4.209 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -1.494 -2.124 3.442 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -2.630 0.648 6.247 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -2.375 -0.943 7.003 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -1.390 -0.454 5.603 1.00 0.00 H new ATOM 1300 N LYS A 86 -3.140 -4.549 2.308 1.00 0.00 N ATOM 1301 CA LYS A 86 -2.701 -5.819 1.858 1.00 0.00 C ATOM 1302 C LYS A 86 -1.310 -5.667 1.332 1.00 0.00 C ATOM 1303 O LYS A 86 -1.070 -4.928 0.392 1.00 0.00 O ATOM 1304 CB LYS A 86 -3.604 -6.406 0.768 1.00 0.00 C ATOM 1305 CG LYS A 86 -5.057 -6.653 1.168 1.00 0.00 C ATOM 1306 CD LYS A 86 -5.809 -7.424 0.092 1.00 0.00 C ATOM 1307 CE LYS A 86 -5.395 -8.885 0.073 1.00 0.00 C ATOM 1308 NZ LYS A 86 -5.998 -9.630 -1.040 1.00 0.00 N1+ ATOM 0 H LYS A 86 -2.871 -3.779 1.696 1.00 0.00 H new ATOM 0 HA LYS A 86 -2.736 -6.512 2.699 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -3.593 -5.732 -0.088 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -3.173 -7.351 0.436 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -5.088 -7.210 2.105 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -5.553 -5.699 1.348 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -6.882 -7.350 0.270 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -5.616 -6.976 -0.883 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -4.309 -8.950 0.002 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -5.682 -9.352 1.015 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -5.897 -10.651 -0.869 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -7.007 -9.389 -1.113 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -5.517 -9.378 -1.927 1.00 0.00 H new ATOM 1322 N LEU A 87 -0.405 -6.321 1.942 1.00 0.00 N ATOM 1323 CA LEU A 87 0.960 -6.257 1.524 1.00 0.00 C ATOM 1324 C LEU A 87 1.200 -7.448 0.659 1.00 0.00 C ATOM 1325 O LEU A 87 1.048 -8.573 1.129 1.00 0.00 O ATOM 1326 CB LEU A 87 1.858 -6.253 2.787 1.00 0.00 C ATOM 1327 CG LEU A 87 3.448 -6.105 2.679 1.00 0.00 C ATOM 1328 CD1 LEU A 87 4.098 -7.341 2.145 1.00 0.00 C ATOM 1329 CD2 LEU A 87 3.829 -4.933 1.803 1.00 0.00 C ATOM 0 H LEU A 87 -0.576 -6.921 2.749 1.00 0.00 H new ATOM 0 HA LEU A 87 1.191 -5.355 0.958 1.00 0.00 H new ATOM 0 HB2 LEU A 87 1.506 -5.441 3.424 1.00 0.00 H new ATOM 0 HB3 LEU A 87 1.661 -7.184 3.319 1.00 0.00 H new ATOM 0 HG LEU A 87 3.806 -5.937 3.695 1.00 0.00 H new ATOM 0 HD11 LEU A 87 5.176 -7.191 2.091 1.00 0.00 H new ATOM 0 HD12 LEU A 87 3.882 -8.180 2.806 1.00 0.00 H new ATOM 0 HD13 LEU A 87 3.711 -7.554 1.149 1.00 0.00 H new ATOM 0 HD21 LEU A 87 4.915 -4.857 1.748 1.00 0.00 H new ATOM 0 HD22 LEU A 87 3.425 -5.081 0.802 1.00 0.00 H new ATOM 0 HD23 LEU A 87 3.422 -4.015 2.227 1.00 0.00 H new ATOM 1341 N TYR A 88 1.464 -7.209 -0.600 1.00 0.00 N ATOM 1342 CA TYR A 88 1.834 -8.251 -1.523 1.00 0.00 C ATOM 1343 C TYR A 88 3.338 -8.245 -1.623 1.00 0.00 C ATOM 1344 O TYR A 88 3.907 -7.390 -2.291 1.00 0.00 O ATOM 1345 CB TYR A 88 1.224 -8.058 -2.933 1.00 0.00 C ATOM 1346 CG TYR A 88 -0.274 -8.264 -3.046 1.00 0.00 C ATOM 1347 CD1 TYR A 88 -1.181 -7.355 -2.512 1.00 0.00 C ATOM 1348 CD2 TYR A 88 -0.777 -9.382 -3.692 1.00 0.00 C ATOM 1349 CE1 TYR A 88 -2.547 -7.566 -2.614 1.00 0.00 C ATOM 1350 CE2 TYR A 88 -2.132 -9.596 -3.807 1.00 0.00 C ATOM 1351 CZ TYR A 88 -3.015 -8.690 -3.263 1.00 0.00 C ATOM 1352 OH TYR A 88 -4.376 -8.941 -3.328 1.00 0.00 O ATOM 0 H TYR A 88 1.428 -6.279 -1.017 1.00 0.00 H new ATOM 0 HA TYR A 88 1.448 -9.199 -1.149 1.00 0.00 H new ATOM 0 HB2 TYR A 88 1.458 -7.049 -3.273 1.00 0.00 H new ATOM 0 HB3 TYR A 88 1.718 -8.748 -3.618 1.00 0.00 H new ATOM 0 HD1 TYR A 88 -0.815 -6.471 -2.010 1.00 0.00 H new ATOM 0 HD2 TYR A 88 -0.091 -10.101 -4.115 1.00 0.00 H new ATOM 0 HE1 TYR A 88 -3.240 -6.856 -2.188 1.00 0.00 H new ATOM 0 HE2 TYR A 88 -2.501 -10.471 -4.322 1.00 0.00 H new ATOM 0 HH TYR A 88 -4.749 -8.517 -4.129 1.00 0.00 H new ATOM 1362 N PRO A 89 4.013 -9.111 -0.867 1.00 0.00 N ATOM 1363 CA PRO A 89 5.444 -9.197 -0.909 1.00 0.00 C ATOM 1364 C PRO A 89 5.902 -9.738 -2.186 1.00 0.00 C ATOM 1365 O PRO A 89 5.167 -10.503 -2.865 1.00 0.00 O ATOM 1366 CB PRO A 89 5.795 -10.246 0.118 1.00 0.00 C ATOM 1367 CG PRO A 89 4.545 -10.953 0.418 1.00 0.00 C ATOM 1368 CD PRO A 89 3.449 -10.023 0.112 1.00 0.00 C ATOM 0 HA PRO A 89 5.886 -8.214 -0.748 1.00 0.00 H new ATOM 0 HB2 PRO A 89 6.549 -10.933 -0.268 1.00 0.00 H new ATOM 0 HB3 PRO A 89 6.210 -9.789 1.016 1.00 0.00 H new ATOM 0 HG2 PRO A 89 4.461 -11.860 -0.180 1.00 0.00 H new ATOM 0 HG3 PRO A 89 4.514 -11.257 1.464 1.00 0.00 H new ATOM 0 HD2 PRO A 89 2.582 -10.549 -0.288 1.00 0.00 H new ATOM 0 HD3 PRO A 89 3.117 -9.493 1.004 1.00 0.00 H new ATOM 1376 N ALA A 90 7.113 -9.473 -2.490 1.00 0.00 N ATOM 1377 CA ALA A 90 7.680 -10.071 -3.624 1.00 0.00 C ATOM 1378 C ALA A 90 8.119 -11.459 -3.246 1.00 0.00 C ATOM 1379 O ALA A 90 9.279 -11.718 -2.944 1.00 0.00 O ATOM 1380 CB ALA A 90 8.845 -9.268 -4.132 1.00 0.00 C ATOM 0 H ALA A 90 7.727 -8.847 -1.969 1.00 0.00 H new ATOM 0 HA ALA A 90 6.944 -10.113 -4.427 1.00 0.00 H new ATOM 0 HB1 ALA A 90 9.266 -9.754 -5.012 1.00 0.00 H new ATOM 0 HB2 ALA A 90 8.508 -8.266 -4.398 1.00 0.00 H new ATOM 0 HB3 ALA A 90 9.607 -9.201 -3.355 1.00 0.00 H new ATOM 1386 N GLY A 91 7.151 -12.320 -3.173 1.00 0.00 N ATOM 1387 CA GLY A 91 7.408 -13.714 -2.963 1.00 0.00 C ATOM 1388 C GLY A 91 6.226 -14.393 -2.348 1.00 0.00 C ATOM 1389 O GLY A 91 6.019 -15.581 -2.529 1.00 0.00 O ATOM 0 H GLY A 91 6.163 -12.079 -3.257 1.00 0.00 H new ATOM 0 HA2 GLY A 91 7.650 -14.189 -3.913 1.00 0.00 H new ATOM 0 HA3 GLY A 91 8.277 -13.833 -2.316 1.00 0.00 H new ATOM 1393 N ALA A 92 5.435 -13.642 -1.618 1.00 0.00 N ATOM 1394 CA ALA A 92 4.255 -14.212 -1.001 1.00 0.00 C ATOM 1395 C ALA A 92 3.009 -13.440 -1.402 1.00 0.00 C ATOM 1396 O ALA A 92 2.031 -13.400 -0.681 1.00 0.00 O ATOM 1397 CB ALA A 92 4.411 -14.324 0.519 1.00 0.00 C ATOM 0 H ALA A 92 5.581 -12.649 -1.437 1.00 0.00 H new ATOM 0 HA ALA A 92 4.136 -15.230 -1.372 1.00 0.00 H new ATOM 0 HB1 ALA A 92 3.506 -14.756 0.947 1.00 0.00 H new ATOM 0 HB2 ALA A 92 5.263 -14.963 0.751 1.00 0.00 H new ATOM 0 HB3 ALA A 92 4.575 -13.333 0.942 1.00 0.00 H new ATOM 1403 N LYS A 93 3.034 -12.899 -2.626 1.00 0.00 N ATOM 1404 CA LYS A 93 1.889 -12.168 -3.263 1.00 0.00 C ATOM 1405 C LYS A 93 0.646 -13.083 -3.516 1.00 0.00 C ATOM 1406 O LYS A 93 -0.295 -12.710 -4.214 1.00 0.00 O ATOM 1407 CB LYS A 93 2.368 -11.496 -4.588 1.00 0.00 C ATOM 1408 CG LYS A 93 3.333 -12.321 -5.467 1.00 0.00 C ATOM 1409 CD LYS A 93 2.741 -13.624 -5.995 1.00 0.00 C ATOM 1410 CE LYS A 93 3.783 -14.393 -6.793 1.00 0.00 C ATOM 1411 NZ LYS A 93 3.281 -15.682 -7.303 1.00 0.00 N1+ ATOM 0 H LYS A 93 3.857 -12.948 -3.227 1.00 0.00 H new ATOM 0 HA LYS A 93 1.560 -11.401 -2.562 1.00 0.00 H new ATOM 0 HB2 LYS A 93 1.489 -11.250 -5.184 1.00 0.00 H new ATOM 0 HB3 LYS A 93 2.856 -10.554 -4.336 1.00 0.00 H new ATOM 0 HG2 LYS A 93 3.648 -11.710 -6.313 1.00 0.00 H new ATOM 0 HG3 LYS A 93 4.228 -12.550 -4.888 1.00 0.00 H new ATOM 0 HD2 LYS A 93 2.387 -14.234 -5.164 1.00 0.00 H new ATOM 0 HD3 LYS A 93 1.877 -13.410 -6.624 1.00 0.00 H new ATOM 0 HE2 LYS A 93 4.115 -13.781 -7.632 1.00 0.00 H new ATOM 0 HE3 LYS A 93 4.655 -14.572 -6.164 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 4.034 -16.161 -7.838 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 2.989 -16.281 -6.505 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 2.466 -15.515 -7.927 1.00 0.00 H new ATOM 1425 N GLY A 94 0.664 -14.253 -2.908 1.00 0.00 N ATOM 1426 CA GLY A 94 -0.397 -15.219 -3.015 1.00 0.00 C ATOM 1427 C GLY A 94 -1.126 -15.310 -1.700 1.00 0.00 C ATOM 1428 O GLY A 94 -2.203 -15.886 -1.610 1.00 0.00 O ATOM 0 H GLY A 94 1.435 -14.559 -2.315 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -1.088 -14.930 -3.807 1.00 0.00 H new ATOM 0 HA3 GLY A 94 0.010 -16.193 -3.286 1.00 0.00 H new ATOM 1432 N GLN A 95 -0.517 -14.721 -0.676 1.00 0.00 N ATOM 1433 CA GLN A 95 -1.101 -14.602 0.630 1.00 0.00 C ATOM 1434 C GLN A 95 -0.608 -13.293 1.266 1.00 0.00 C ATOM 1435 O GLN A 95 0.321 -13.291 2.078 1.00 0.00 O ATOM 1436 CB GLN A 95 -0.774 -15.782 1.540 1.00 0.00 C ATOM 1437 CG GLN A 95 -1.520 -15.733 2.876 1.00 0.00 C ATOM 1438 CD GLN A 95 -1.072 -16.782 3.867 1.00 0.00 C ATOM 1439 OE1 GLN A 95 -0.630 -17.900 3.385 1.00 0.00 O flip ATOM 1440 NE2 GLN A 95 -1.135 -16.578 5.077 1.00 0.00 N flip ATOM 0 H GLN A 95 0.414 -14.309 -0.745 1.00 0.00 H new ATOM 0 HA GLN A 95 -2.185 -14.597 0.514 1.00 0.00 H new ATOM 0 HB2 GLN A 95 -1.023 -16.710 1.025 1.00 0.00 H new ATOM 0 HB3 GLN A 95 0.299 -15.800 1.730 1.00 0.00 H new ATOM 0 HG2 GLN A 95 -1.385 -14.747 3.320 1.00 0.00 H new ATOM 0 HG3 GLN A 95 -2.587 -15.856 2.690 1.00 0.00 H new ATOM 0 HE21 GLN A 95 -1.488 -15.687 5.426 1.00 0.00 H new ATOM 0 HE22 GLN A 95 -0.834 -17.300 5.732 1.00 0.00 H new ATOM 1449 N PRO A 96 -1.107 -12.158 0.753 1.00 0.00 N ATOM 1450 CA PRO A 96 -0.872 -10.822 1.316 1.00 0.00 C ATOM 1451 C PRO A 96 -1.122 -10.734 2.800 1.00 0.00 C ATOM 1452 O PRO A 96 -1.822 -11.588 3.386 1.00 0.00 O ATOM 1453 CB PRO A 96 -1.969 -10.028 0.672 1.00 0.00 C ATOM 1454 CG PRO A 96 -2.120 -10.616 -0.659 1.00 0.00 C ATOM 1455 CD PRO A 96 -1.857 -12.072 -0.504 1.00 0.00 C ATOM 0 HA PRO A 96 0.158 -10.508 1.149 1.00 0.00 H new ATOM 0 HB2 PRO A 96 -2.895 -10.097 1.243 1.00 0.00 H new ATOM 0 HB3 PRO A 96 -1.710 -8.971 0.611 1.00 0.00 H new ATOM 0 HG2 PRO A 96 -3.122 -10.441 -1.050 1.00 0.00 H new ATOM 0 HG3 PRO A 96 -1.420 -10.167 -1.364 1.00 0.00 H new ATOM 0 HD2 PRO A 96 -2.784 -12.644 -0.457 1.00 0.00 H new ATOM 0 HD3 PRO A 96 -1.281 -12.466 -1.341 1.00 0.00 H new ATOM 1463 N VAL A 97 -0.619 -9.691 3.422 1.00 0.00 N ATOM 1464 CA VAL A 97 -0.923 -9.505 4.775 1.00 0.00 C ATOM 1465 C VAL A 97 -2.056 -8.523 4.811 1.00 0.00 C ATOM 1466 O VAL A 97 -1.862 -7.336 4.515 1.00 0.00 O ATOM 1467 CB VAL A 97 0.276 -8.978 5.558 1.00 0.00 C ATOM 1468 CG1 VAL A 97 -0.045 -8.937 7.039 1.00 0.00 C ATOM 1469 CG2 VAL A 97 1.500 -9.842 5.288 1.00 0.00 C ATOM 0 H VAL A 97 -0.013 -8.986 3.002 1.00 0.00 H new ATOM 0 HA VAL A 97 -1.193 -10.451 5.244 1.00 0.00 H new ATOM 0 HB VAL A 97 0.498 -7.963 5.230 1.00 0.00 H new ATOM 0 HG11 VAL A 97 0.818 -8.559 7.588 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -0.899 -8.281 7.208 1.00 0.00 H new ATOM 0 HG13 VAL A 97 -0.285 -9.942 7.387 1.00 0.00 H new ATOM 0 HG21 VAL A 97 2.349 -9.456 5.852 1.00 0.00 H new ATOM 0 HG22 VAL A 97 1.296 -10.868 5.595 1.00 0.00 H new ATOM 0 HG23 VAL A 97 1.732 -9.821 4.223 1.00 0.00 H new ATOM 1479 N THR A 98 -3.234 -9.043 5.024 1.00 0.00 N ATOM 1480 CA THR A 98 -4.425 -8.259 5.070 1.00 0.00 C ATOM 1481 C THR A 98 -4.569 -7.607 6.447 1.00 0.00 C ATOM 1482 O THR A 98 -4.438 -8.251 7.496 1.00 0.00 O ATOM 1483 CB THR A 98 -5.693 -9.076 4.649 1.00 0.00 C ATOM 1484 OG1 THR A 98 -6.850 -8.243 4.633 1.00 0.00 O ATOM 1485 CG2 THR A 98 -5.941 -10.280 5.549 1.00 0.00 C ATOM 0 H THR A 98 -3.389 -10.040 5.172 1.00 0.00 H new ATOM 0 HA THR A 98 -4.340 -7.462 4.331 1.00 0.00 H new ATOM 0 HB THR A 98 -5.498 -9.450 3.644 1.00 0.00 H new ATOM 0 HG1 THR A 98 -7.480 -8.572 3.959 1.00 0.00 H new ATOM 0 HG21 THR A 98 -6.832 -10.809 5.211 1.00 0.00 H new ATOM 0 HG22 THR A 98 -5.082 -10.950 5.505 1.00 0.00 H new ATOM 0 HG23 THR A 98 -6.086 -9.943 6.575 1.00 0.00 H new ATOM 1493 N TYR A 99 -4.778 -6.337 6.421 1.00 0.00 N ATOM 1494 CA TYR A 99 -4.803 -5.517 7.582 1.00 0.00 C ATOM 1495 C TYR A 99 -5.964 -4.525 7.511 1.00 0.00 C ATOM 1496 O TYR A 99 -6.454 -4.215 6.432 1.00 0.00 O ATOM 1497 CB TYR A 99 -3.485 -4.769 7.607 1.00 0.00 C ATOM 1498 CG TYR A 99 -2.635 -5.044 8.819 1.00 0.00 C ATOM 1499 CD1 TYR A 99 -2.759 -4.293 9.979 1.00 0.00 C ATOM 1500 CD2 TYR A 99 -1.690 -6.065 8.792 1.00 0.00 C ATOM 1501 CE1 TYR A 99 -1.964 -4.552 11.082 1.00 0.00 C ATOM 1502 CE2 TYR A 99 -0.894 -6.330 9.890 1.00 0.00 C ATOM 1503 CZ TYR A 99 -1.033 -5.572 11.030 1.00 0.00 C ATOM 1504 OH TYR A 99 -0.227 -5.829 12.127 1.00 0.00 O ATOM 0 H TYR A 99 -4.943 -5.821 5.557 1.00 0.00 H new ATOM 0 HA TYR A 99 -4.939 -6.118 8.481 1.00 0.00 H new ATOM 0 HB2 TYR A 99 -2.917 -5.029 6.714 1.00 0.00 H new ATOM 0 HB3 TYR A 99 -3.688 -3.699 7.556 1.00 0.00 H new ATOM 0 HD1 TYR A 99 -3.486 -3.495 10.022 1.00 0.00 H new ATOM 0 HD2 TYR A 99 -1.577 -6.660 7.898 1.00 0.00 H new ATOM 0 HE1 TYR A 99 -2.071 -3.960 11.979 1.00 0.00 H new ATOM 0 HE2 TYR A 99 -0.167 -7.128 9.854 1.00 0.00 H new ATOM 0 HH TYR A 99 0.371 -6.579 11.925 1.00 0.00 H new ATOM 1514 N SER A 100 -6.391 -4.022 8.652 1.00 0.00 N ATOM 1515 CA SER A 100 -7.490 -3.055 8.712 1.00 0.00 C ATOM 1516 C SER A 100 -6.959 -1.611 8.616 1.00 0.00 C ATOM 1517 O SER A 100 -7.730 -0.638 8.589 1.00 0.00 O ATOM 1518 CB SER A 100 -8.235 -3.242 10.029 1.00 0.00 C ATOM 1519 OG SER A 100 -8.545 -4.613 10.233 1.00 0.00 O ATOM 0 H SER A 100 -5.996 -4.264 9.561 1.00 0.00 H new ATOM 0 HA SER A 100 -8.161 -3.226 7.870 1.00 0.00 H new ATOM 0 HB2 SER A 100 -7.625 -2.874 10.854 1.00 0.00 H new ATOM 0 HB3 SER A 100 -9.152 -2.653 10.022 1.00 0.00 H new ATOM 0 HG SER A 100 -8.704 -5.045 9.368 1.00 0.00 H new ATOM 1525 N GLY A 101 -5.652 -1.480 8.567 1.00 0.00 N ATOM 1526 CA GLY A 101 -5.046 -0.181 8.525 1.00 0.00 C ATOM 1527 C GLY A 101 -4.374 0.138 9.834 1.00 0.00 C ATOM 1528 O GLY A 101 -5.029 0.195 10.872 1.00 0.00 O ATOM 0 H GLY A 101 -4.995 -2.260 8.556 1.00 0.00 H new ATOM 0 HA2 GLY A 101 -4.316 -0.141 7.717 1.00 0.00 H new ATOM 0 HA3 GLY A 101 -5.804 0.572 8.307 1.00 0.00 H new ATOM 1532 N SER A 102 -3.075 0.311 9.788 1.00 0.00 N ATOM 1533 CA SER A 102 -2.268 0.570 10.969 1.00 0.00 C ATOM 1534 C SER A 102 -2.540 1.957 11.584 1.00 0.00 C ATOM 1535 O SER A 102 -2.445 2.131 12.793 1.00 0.00 O ATOM 1536 CB SER A 102 -0.815 0.491 10.557 1.00 0.00 C ATOM 1537 OG SER A 102 -0.597 -0.653 9.753 1.00 0.00 O ATOM 0 H SER A 102 -2.537 0.277 8.922 1.00 0.00 H new ATOM 0 HA SER A 102 -2.521 -0.170 11.728 1.00 0.00 H new ATOM 0 HB2 SER A 102 -0.536 1.390 10.007 1.00 0.00 H new ATOM 0 HB3 SER A 102 -0.180 0.449 11.442 1.00 0.00 H new ATOM 0 HG SER A 102 -0.151 -1.346 10.284 1.00 0.00 H new ATOM 1543 N ARG A 103 -2.857 2.937 10.723 1.00 0.00 N ATOM 1544 CA ARG A 103 -3.047 4.366 11.122 1.00 0.00 C ATOM 1545 C ARG A 103 -1.712 4.985 11.626 1.00 0.00 C ATOM 1546 O ARG A 103 -1.654 6.093 12.139 1.00 0.00 O ATOM 1547 CB ARG A 103 -4.229 4.535 12.136 1.00 0.00 C ATOM 1548 CG ARG A 103 -4.552 5.976 12.527 1.00 0.00 C ATOM 1549 CD ARG A 103 -5.742 6.059 13.461 1.00 0.00 C ATOM 1550 NE ARG A 103 -6.019 7.446 13.844 1.00 0.00 N ATOM 1551 CZ ARG A 103 -7.232 7.984 14.010 1.00 0.00 C ATOM 1552 NH1 ARG A 103 -8.339 7.264 13.806 1.00 0.00 N1+ ATOM 1553 NH2 ARG A 103 -7.332 9.251 14.361 1.00 0.00 N ATOM 0 H ARG A 103 -2.992 2.774 9.725 1.00 0.00 H new ATOM 0 HA ARG A 103 -3.337 4.931 10.236 1.00 0.00 H new ATOM 0 HB2 ARG A 103 -5.123 4.084 11.705 1.00 0.00 H new ATOM 0 HB3 ARG A 103 -3.993 3.975 13.041 1.00 0.00 H new ATOM 0 HG2 ARG A 103 -3.682 6.425 13.007 1.00 0.00 H new ATOM 0 HG3 ARG A 103 -4.755 6.558 11.628 1.00 0.00 H new ATOM 0 HD2 ARG A 103 -6.619 5.631 12.976 1.00 0.00 H new ATOM 0 HD3 ARG A 103 -5.549 5.464 14.354 1.00 0.00 H new ATOM 0 HE ARG A 103 -5.215 8.055 13.998 1.00 0.00 H new ATOM 0 HH11 ARG A 103 -8.267 6.288 13.519 1.00 0.00 H new ATOM 0 HH12 ARG A 103 -9.256 7.691 13.937 1.00 0.00 H new ATOM 0 HH21 ARG A 103 -6.490 9.809 14.503 1.00 0.00 H new ATOM 0 HH22 ARG A 103 -8.251 9.673 14.491 1.00 0.00 H new ATOM 1567 N THR A 104 -0.643 4.290 11.363 1.00 0.00 N ATOM 1568 CA THR A 104 0.665 4.705 11.783 1.00 0.00 C ATOM 1569 C THR A 104 1.708 4.352 10.714 1.00 0.00 C ATOM 1570 O THR A 104 1.486 3.460 9.885 1.00 0.00 O ATOM 1571 CB THR A 104 1.041 4.084 13.171 1.00 0.00 C ATOM 1572 OG1 THR A 104 2.372 4.449 13.549 1.00 0.00 O ATOM 1573 CG2 THR A 104 0.930 2.577 13.154 1.00 0.00 C ATOM 0 H THR A 104 -0.655 3.411 10.846 1.00 0.00 H new ATOM 0 HA THR A 104 0.655 5.788 11.905 1.00 0.00 H new ATOM 0 HB THR A 104 0.333 4.481 13.898 1.00 0.00 H new ATOM 0 HG1 THR A 104 2.585 4.052 14.419 1.00 0.00 H new ATOM 0 HG21 THR A 104 1.198 2.181 14.134 1.00 0.00 H new ATOM 0 HG22 THR A 104 -0.094 2.290 12.915 1.00 0.00 H new ATOM 0 HG23 THR A 104 1.606 2.171 12.401 1.00 0.00 H new ATOM 1581 N VAL A 105 2.793 5.092 10.723 1.00 0.00 N ATOM 1582 CA VAL A 105 3.917 4.935 9.812 1.00 0.00 C ATOM 1583 C VAL A 105 4.847 3.829 10.300 1.00 0.00 C ATOM 1584 O VAL A 105 5.327 3.019 9.514 1.00 0.00 O ATOM 1585 CB VAL A 105 4.748 6.263 9.740 1.00 0.00 C ATOM 1586 CG1 VAL A 105 5.953 6.119 8.837 1.00 0.00 C ATOM 1587 CG2 VAL A 105 3.898 7.437 9.295 1.00 0.00 C ATOM 0 H VAL A 105 2.928 5.852 11.390 1.00 0.00 H new ATOM 0 HA VAL A 105 3.516 4.684 8.830 1.00 0.00 H new ATOM 0 HB VAL A 105 5.100 6.464 10.752 1.00 0.00 H new ATOM 0 HG11 VAL A 105 6.504 7.059 8.812 1.00 0.00 H new ATOM 0 HG12 VAL A 105 6.601 5.329 9.218 1.00 0.00 H new ATOM 0 HG13 VAL A 105 5.624 5.865 7.829 1.00 0.00 H new ATOM 0 HG21 VAL A 105 4.512 8.337 9.258 1.00 0.00 H new ATOM 0 HG22 VAL A 105 3.489 7.236 8.305 1.00 0.00 H new ATOM 0 HG23 VAL A 105 3.081 7.583 10.002 1.00 0.00 H new ATOM 1597 N GLU A 106 5.046 3.785 11.605 1.00 0.00 N ATOM 1598 CA GLU A 106 6.030 2.887 12.249 1.00 0.00 C ATOM 1599 C GLU A 106 5.737 1.465 11.950 1.00 0.00 C ATOM 1600 O GLU A 106 6.620 0.677 11.582 1.00 0.00 O ATOM 1601 CB GLU A 106 5.987 3.058 13.743 1.00 0.00 C ATOM 1602 CG GLU A 106 6.028 4.473 14.143 1.00 0.00 C ATOM 1603 CD GLU A 106 6.346 4.642 15.596 1.00 0.00 C ATOM 1604 OE1 GLU A 106 5.409 4.648 16.428 1.00 0.00 O1- ATOM 1605 OE2 GLU A 106 7.548 4.755 15.936 1.00 0.00 O ATOM 0 H GLU A 106 4.534 4.369 12.266 1.00 0.00 H new ATOM 0 HA GLU A 106 7.012 3.150 11.856 1.00 0.00 H new ATOM 0 HB2 GLU A 106 5.079 2.598 14.133 1.00 0.00 H new ATOM 0 HB3 GLU A 106 6.829 2.531 14.191 1.00 0.00 H new ATOM 0 HG2 GLU A 106 6.775 4.996 13.546 1.00 0.00 H new ATOM 0 HG3 GLU A 106 5.066 4.938 13.927 1.00 0.00 H new ATOM 1612 N ASP A 107 4.487 1.164 12.066 1.00 0.00 N ATOM 1613 CA ASP A 107 3.986 -0.199 11.870 1.00 0.00 C ATOM 1614 C ASP A 107 4.072 -0.571 10.426 1.00 0.00 C ATOM 1615 O ASP A 107 4.243 -1.719 10.091 1.00 0.00 O ATOM 1616 CB ASP A 107 2.550 -0.345 12.368 1.00 0.00 C ATOM 1617 CG ASP A 107 1.982 -1.748 12.205 1.00 0.00 C ATOM 1618 OD1 ASP A 107 2.482 -2.693 12.870 1.00 0.00 O1- ATOM 1619 OD2 ASP A 107 1.005 -1.917 11.457 1.00 0.00 O ATOM 0 H ASP A 107 3.763 1.843 12.300 1.00 0.00 H new ATOM 0 HA ASP A 107 4.610 -0.875 12.455 1.00 0.00 H new ATOM 0 HB2 ASP A 107 2.511 -0.068 13.421 1.00 0.00 H new ATOM 0 HB3 ASP A 107 1.915 0.359 11.829 1.00 0.00 H new ATOM 1624 N LEU A 108 4.041 0.428 9.578 1.00 0.00 N ATOM 1625 CA LEU A 108 4.107 0.211 8.163 1.00 0.00 C ATOM 1626 C LEU A 108 5.485 -0.077 7.683 1.00 0.00 C ATOM 1627 O LEU A 108 5.676 -0.915 6.819 1.00 0.00 O ATOM 1628 CB LEU A 108 3.485 1.325 7.411 1.00 0.00 C ATOM 1629 CG LEU A 108 1.979 1.234 7.320 1.00 0.00 C ATOM 1630 CD1 LEU A 108 1.417 2.375 6.521 1.00 0.00 C ATOM 1631 CD2 LEU A 108 1.575 -0.110 6.728 1.00 0.00 C ATOM 0 H LEU A 108 3.970 1.408 9.853 1.00 0.00 H new ATOM 0 HA LEU A 108 3.524 -0.688 7.964 1.00 0.00 H new ATOM 0 HB2 LEU A 108 3.755 2.268 7.887 1.00 0.00 H new ATOM 0 HB3 LEU A 108 3.900 1.347 6.403 1.00 0.00 H new ATOM 0 HG LEU A 108 1.562 1.307 8.325 1.00 0.00 H new ATOM 0 HD11 LEU A 108 0.332 2.285 6.471 1.00 0.00 H new ATOM 0 HD12 LEU A 108 1.681 3.319 6.999 1.00 0.00 H new ATOM 0 HD13 LEU A 108 1.829 2.351 5.512 1.00 0.00 H new ATOM 0 HD21 LEU A 108 0.488 -0.168 6.666 1.00 0.00 H new ATOM 0 HD22 LEU A 108 2.002 -0.211 5.730 1.00 0.00 H new ATOM 0 HD23 LEU A 108 1.945 -0.914 7.364 1.00 0.00 H new ATOM 1643 N ILE A 109 6.431 0.598 8.237 1.00 0.00 N ATOM 1644 CA ILE A 109 7.817 0.311 7.977 1.00 0.00 C ATOM 1645 C ILE A 109 8.080 -1.153 8.391 1.00 0.00 C ATOM 1646 O ILE A 109 8.488 -1.993 7.588 1.00 0.00 O ATOM 1647 CB ILE A 109 8.651 1.269 8.826 1.00 0.00 C ATOM 1648 CG1 ILE A 109 8.405 2.709 8.367 1.00 0.00 C ATOM 1649 CG2 ILE A 109 10.142 0.923 8.776 1.00 0.00 C ATOM 1650 CD1 ILE A 109 8.814 3.753 9.371 1.00 0.00 C ATOM 0 H ILE A 109 6.275 1.369 8.887 1.00 0.00 H new ATOM 0 HA ILE A 109 8.075 0.438 6.926 1.00 0.00 H new ATOM 0 HB ILE A 109 8.339 1.167 9.865 1.00 0.00 H new ATOM 0 HG12 ILE A 109 8.949 2.881 7.438 1.00 0.00 H new ATOM 0 HG13 ILE A 109 7.345 2.831 8.143 1.00 0.00 H new ATOM 0 HG21 ILE A 109 10.700 1.628 9.393 1.00 0.00 H new ATOM 0 HG22 ILE A 109 10.294 -0.088 9.153 1.00 0.00 H new ATOM 0 HG23 ILE A 109 10.495 0.983 7.747 1.00 0.00 H new ATOM 0 HD11 ILE A 109 8.607 4.745 8.969 1.00 0.00 H new ATOM 0 HD12 ILE A 109 8.252 3.611 10.294 1.00 0.00 H new ATOM 0 HD13 ILE A 109 9.880 3.661 9.578 1.00 0.00 H new ATOM 1662 N LYS A 110 7.646 -1.458 9.612 1.00 0.00 N ATOM 1663 CA LYS A 110 7.783 -2.755 10.251 1.00 0.00 C ATOM 1664 C LYS A 110 6.998 -3.786 9.457 1.00 0.00 C ATOM 1665 O LYS A 110 7.334 -4.952 9.423 1.00 0.00 O ATOM 1666 CB LYS A 110 7.199 -2.602 11.667 1.00 0.00 C ATOM 1667 CG LYS A 110 7.297 -3.785 12.617 1.00 0.00 C ATOM 1668 CD LYS A 110 8.734 -4.161 12.926 1.00 0.00 C ATOM 1669 CE LYS A 110 8.884 -4.630 14.377 1.00 0.00 C ATOM 1670 NZ LYS A 110 7.992 -5.766 14.731 1.00 0.00 N1+ ATOM 0 H LYS A 110 7.170 -0.777 10.203 1.00 0.00 H new ATOM 0 HA LYS A 110 8.821 -3.084 10.296 1.00 0.00 H new ATOM 0 HB2 LYS A 110 7.692 -1.753 12.141 1.00 0.00 H new ATOM 0 HB3 LYS A 110 6.145 -2.343 11.566 1.00 0.00 H new ATOM 0 HG2 LYS A 110 6.779 -3.546 13.546 1.00 0.00 H new ATOM 0 HG3 LYS A 110 6.786 -4.642 12.179 1.00 0.00 H new ATOM 0 HD2 LYS A 110 9.059 -4.952 12.250 1.00 0.00 H new ATOM 0 HD3 LYS A 110 9.383 -3.303 12.749 1.00 0.00 H new ATOM 0 HE2 LYS A 110 9.919 -4.924 14.550 1.00 0.00 H new ATOM 0 HE3 LYS A 110 8.675 -3.793 15.044 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 7.966 -5.878 15.765 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 7.032 -5.576 14.379 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 8.353 -6.639 14.297 1.00 0.00 H new ATOM 1684 N PHE A 111 6.013 -3.315 8.752 1.00 0.00 N ATOM 1685 CA PHE A 111 5.124 -4.136 8.028 1.00 0.00 C ATOM 1686 C PHE A 111 5.875 -4.738 6.909 1.00 0.00 C ATOM 1687 O PHE A 111 6.174 -5.887 6.937 1.00 0.00 O ATOM 1688 CB PHE A 111 4.053 -3.288 7.489 1.00 0.00 C ATOM 1689 CG PHE A 111 2.762 -3.932 7.160 1.00 0.00 C ATOM 1690 CD1 PHE A 111 2.692 -4.963 6.264 1.00 0.00 C ATOM 1691 CD2 PHE A 111 1.603 -3.470 7.732 1.00 0.00 C ATOM 1692 CE1 PHE A 111 1.497 -5.526 5.945 1.00 0.00 C ATOM 1693 CE2 PHE A 111 0.403 -4.021 7.407 1.00 0.00 C ATOM 1694 CZ PHE A 111 0.349 -5.059 6.507 1.00 0.00 C ATOM 0 H PHE A 111 5.811 -2.319 8.670 1.00 0.00 H new ATOM 0 HA PHE A 111 4.699 -4.915 8.662 1.00 0.00 H new ATOM 0 HB2 PHE A 111 3.857 -2.496 8.212 1.00 0.00 H new ATOM 0 HB3 PHE A 111 4.428 -2.809 6.585 1.00 0.00 H new ATOM 0 HD1 PHE A 111 3.597 -5.334 5.805 1.00 0.00 H new ATOM 0 HD2 PHE A 111 1.644 -2.661 8.447 1.00 0.00 H new ATOM 0 HE1 PHE A 111 1.458 -6.346 5.244 1.00 0.00 H new ATOM 0 HE2 PHE A 111 -0.505 -3.644 7.855 1.00 0.00 H new ATOM 0 HZ PHE A 111 -0.601 -5.502 6.247 1.00 0.00 H new ATOM 1704 N ILE A 112 6.309 -3.914 5.998 1.00 0.00 N ATOM 1705 CA ILE A 112 7.024 -4.362 4.807 1.00 0.00 C ATOM 1706 C ILE A 112 8.381 -4.948 5.236 1.00 0.00 C ATOM 1707 O ILE A 112 9.018 -5.714 4.529 1.00 0.00 O ATOM 1708 CB ILE A 112 7.255 -3.160 3.862 1.00 0.00 C ATOM 1709 CG1 ILE A 112 5.943 -2.401 3.684 1.00 0.00 C ATOM 1710 CG2 ILE A 112 7.728 -3.649 2.499 1.00 0.00 C ATOM 1711 CD1 ILE A 112 6.098 -0.915 3.800 1.00 0.00 C ATOM 0 H ILE A 112 6.183 -2.903 6.049 1.00 0.00 H new ATOM 0 HA ILE A 112 6.440 -5.121 4.286 1.00 0.00 H new ATOM 0 HB ILE A 112 8.013 -2.508 4.296 1.00 0.00 H new ATOM 0 HG12 ILE A 112 5.522 -2.640 2.707 1.00 0.00 H new ATOM 0 HG13 ILE A 112 5.228 -2.744 4.432 1.00 0.00 H new ATOM 0 HG21 ILE A 112 7.888 -2.795 1.841 1.00 0.00 H new ATOM 0 HG22 ILE A 112 8.662 -4.198 2.614 1.00 0.00 H new ATOM 0 HG23 ILE A 112 6.973 -4.305 2.065 1.00 0.00 H new ATOM 0 HD11 ILE A 112 5.128 -0.436 3.663 1.00 0.00 H new ATOM 0 HD12 ILE A 112 6.490 -0.666 4.786 1.00 0.00 H new ATOM 0 HD13 ILE A 112 6.789 -0.560 3.035 1.00 0.00 H new ATOM 1723 N ALA A 113 8.731 -4.670 6.447 1.00 0.00 N ATOM 1724 CA ALA A 113 10.032 -5.081 6.980 1.00 0.00 C ATOM 1725 C ALA A 113 9.980 -6.429 7.651 1.00 0.00 C ATOM 1726 O ALA A 113 11.012 -6.983 8.017 1.00 0.00 O ATOM 1727 CB ALA A 113 10.599 -4.067 7.925 1.00 0.00 C ATOM 0 H ALA A 113 8.146 -4.158 7.107 1.00 0.00 H new ATOM 0 HA ALA A 113 10.692 -5.157 6.116 1.00 0.00 H new ATOM 0 HB1 ALA A 113 11.564 -4.414 8.295 1.00 0.00 H new ATOM 0 HB2 ALA A 113 10.730 -3.118 7.405 1.00 0.00 H new ATOM 0 HB3 ALA A 113 9.917 -3.930 8.764 1.00 0.00 H new ATOM 1733 N GLU A 114 8.800 -6.923 7.883 1.00 0.00 N ATOM 1734 CA GLU A 114 8.657 -8.265 8.415 1.00 0.00 C ATOM 1735 C GLU A 114 7.862 -9.095 7.460 1.00 0.00 C ATOM 1736 O GLU A 114 8.175 -10.249 7.178 1.00 0.00 O ATOM 1737 CB GLU A 114 7.903 -8.241 9.713 1.00 0.00 C ATOM 1738 CG GLU A 114 8.474 -7.341 10.736 1.00 0.00 C ATOM 1739 CD GLU A 114 7.752 -7.479 12.030 1.00 0.00 C ATOM 1740 OE1 GLU A 114 6.517 -7.310 12.053 1.00 0.00 O1- ATOM 1741 OE2 GLU A 114 8.383 -7.786 13.045 1.00 0.00 O ATOM 0 H GLU A 114 7.923 -6.429 7.717 1.00 0.00 H new ATOM 0 HA GLU A 114 9.655 -8.676 8.566 1.00 0.00 H new ATOM 0 HB2 GLU A 114 6.874 -7.940 9.516 1.00 0.00 H new ATOM 0 HB3 GLU A 114 7.867 -9.253 10.117 1.00 0.00 H new ATOM 0 HG2 GLU A 114 9.530 -7.570 10.878 1.00 0.00 H new ATOM 0 HG3 GLU A 114 8.415 -6.309 10.391 1.00 0.00 H new ATOM 1748 N ASN A 115 6.859 -8.461 6.957 1.00 0.00 N ATOM 1749 CA ASN A 115 5.863 -9.025 6.122 1.00 0.00 C ATOM 1750 C ASN A 115 6.320 -8.993 4.706 1.00 0.00 C ATOM 1751 O ASN A 115 5.866 -9.783 3.875 1.00 0.00 O ATOM 1752 CB ASN A 115 4.627 -8.163 6.275 1.00 0.00 C ATOM 1753 CG ASN A 115 3.935 -8.256 7.624 1.00 0.00 C ATOM 1754 OD1 ASN A 115 3.108 -9.127 7.874 1.00 0.00 O ATOM 1755 ND2 ASN A 115 4.257 -7.340 8.494 1.00 0.00 N ATOM 0 H ASN A 115 6.706 -7.468 7.132 1.00 0.00 H new ATOM 0 HA ASN A 115 5.660 -10.060 6.395 1.00 0.00 H new ATOM 0 HB2 ASN A 115 4.904 -7.124 6.098 1.00 0.00 H new ATOM 0 HB3 ASN A 115 3.913 -8.439 5.499 1.00 0.00 H new ATOM 0 HD21 ASN A 115 3.817 -7.334 9.414 1.00 0.00 H new ATOM 0 HD22 ASN A 115 4.949 -6.630 8.254 1.00 0.00 H new ATOM 1762 N GLY A 116 7.214 -8.069 4.419 1.00 0.00 N ATOM 1763 CA GLY A 116 7.740 -7.971 3.116 1.00 0.00 C ATOM 1764 C GLY A 116 8.813 -8.993 2.906 1.00 0.00 C ATOM 1765 O GLY A 116 9.262 -9.621 3.867 1.00 0.00 O ATOM 0 H GLY A 116 7.577 -7.386 5.084 1.00 0.00 H new ATOM 0 HA2 GLY A 116 6.945 -8.115 2.385 1.00 0.00 H new ATOM 0 HA3 GLY A 116 8.145 -6.972 2.955 1.00 0.00 H new ATOM 1769 N LYS A 117 9.232 -9.189 1.695 1.00 0.00 N ATOM 1770 CA LYS A 117 10.304 -10.125 1.451 1.00 0.00 C ATOM 1771 C LYS A 117 11.557 -9.379 1.283 1.00 0.00 C ATOM 1772 O LYS A 117 12.646 -9.895 1.516 1.00 0.00 O ATOM 1773 CB LYS A 117 10.079 -10.969 0.229 1.00 0.00 C ATOM 1774 CG LYS A 117 8.948 -11.992 0.342 1.00 0.00 C ATOM 1775 CD LYS A 117 9.168 -13.005 1.476 1.00 0.00 C ATOM 1776 CE LYS A 117 10.487 -13.779 1.352 1.00 0.00 C ATOM 1777 NZ LYS A 117 10.591 -14.568 0.103 1.00 0.00 N1+ ATOM 0 H LYS A 117 8.860 -8.725 0.866 1.00 0.00 H new ATOM 0 HA LYS A 117 10.348 -10.797 2.308 1.00 0.00 H new ATOM 0 HB2 LYS A 117 9.869 -10.311 -0.614 1.00 0.00 H new ATOM 0 HB3 LYS A 117 11.004 -11.498 -0.003 1.00 0.00 H new ATOM 0 HG2 LYS A 117 8.007 -11.468 0.507 1.00 0.00 H new ATOM 0 HG3 LYS A 117 8.853 -12.527 -0.603 1.00 0.00 H new ATOM 0 HD2 LYS A 117 9.152 -12.480 2.431 1.00 0.00 H new ATOM 0 HD3 LYS A 117 8.339 -13.713 1.487 1.00 0.00 H new ATOM 0 HE2 LYS A 117 11.318 -13.075 1.399 1.00 0.00 H new ATOM 0 HE3 LYS A 117 10.588 -14.449 2.206 1.00 0.00 H new ATOM 0 HZ1 LYS A 117 11.504 -15.066 0.082 1.00 0.00 H new ATOM 0 HZ2 LYS A 117 9.817 -15.262 0.065 1.00 0.00 H new ATOM 0 HZ3 LYS A 117 10.525 -13.931 -0.716 1.00 0.00 H new ATOM 1791 N TYR A 118 11.412 -8.155 0.888 1.00 0.00 N ATOM 1792 CA TYR A 118 12.504 -7.318 0.698 1.00 0.00 C ATOM 1793 C TYR A 118 12.919 -6.680 1.988 1.00 0.00 C ATOM 1794 O TYR A 118 13.991 -6.059 2.052 1.00 0.00 O ATOM 1795 CB TYR A 118 12.219 -6.283 -0.358 1.00 0.00 C ATOM 1796 CG TYR A 118 12.545 -6.749 -1.750 1.00 0.00 C ATOM 1797 CD1 TYR A 118 13.862 -6.932 -2.123 1.00 0.00 C ATOM 1798 CD2 TYR A 118 11.557 -7.026 -2.683 1.00 0.00 C ATOM 1799 CE1 TYR A 118 14.197 -7.366 -3.377 1.00 0.00 C ATOM 1800 CE2 TYR A 118 11.890 -7.470 -3.953 1.00 0.00 C ATOM 1801 CZ TYR A 118 13.218 -7.637 -4.289 1.00 0.00 C ATOM 1802 OH TYR A 118 13.568 -8.082 -5.549 1.00 0.00 O ATOM 0 H TYR A 118 10.509 -7.723 0.691 1.00 0.00 H new ATOM 0 HA TYR A 118 13.336 -7.927 0.344 1.00 0.00 H new ATOM 0 HB2 TYR A 118 11.165 -6.007 -0.312 1.00 0.00 H new ATOM 0 HB3 TYR A 118 12.794 -5.383 -0.140 1.00 0.00 H new ATOM 0 HD1 TYR A 118 14.646 -6.728 -1.409 1.00 0.00 H new ATOM 0 HD2 TYR A 118 10.518 -6.895 -2.417 1.00 0.00 H new ATOM 0 HE1 TYR A 118 15.235 -7.494 -3.645 1.00 0.00 H new ATOM 0 HE2 TYR A 118 11.116 -7.684 -4.675 1.00 0.00 H new ATOM 0 HH TYR A 118 12.758 -8.231 -6.080 1.00 0.00 H new ATOM 1812 N LYS A 119 12.041 -6.796 3.014 1.00 0.00 N ATOM 1813 CA LYS A 119 12.302 -6.324 4.351 1.00 0.00 C ATOM 1814 C LYS A 119 12.727 -4.860 4.314 1.00 0.00 C ATOM 1815 O LYS A 119 13.859 -4.507 4.662 1.00 0.00 O ATOM 1816 CB LYS A 119 13.362 -7.193 5.041 1.00 0.00 C ATOM 1817 CG LYS A 119 13.053 -8.696 5.071 1.00 0.00 C ATOM 1818 CD LYS A 119 11.751 -8.990 5.796 1.00 0.00 C ATOM 1819 CE LYS A 119 11.458 -10.479 5.884 1.00 0.00 C ATOM 1820 NZ LYS A 119 12.436 -11.207 6.714 1.00 0.00 N1+ ATOM 0 H LYS A 119 11.124 -7.230 2.910 1.00 0.00 H new ATOM 0 HA LYS A 119 11.385 -6.401 4.935 1.00 0.00 H new ATOM 0 HB2 LYS A 119 14.316 -7.044 4.536 1.00 0.00 H new ATOM 0 HB3 LYS A 119 13.486 -6.843 6.066 1.00 0.00 H new ATOM 0 HG2 LYS A 119 12.995 -9.075 4.051 1.00 0.00 H new ATOM 0 HG3 LYS A 119 13.870 -9.225 5.562 1.00 0.00 H new ATOM 0 HD2 LYS A 119 11.796 -8.572 6.802 1.00 0.00 H new ATOM 0 HD3 LYS A 119 10.931 -8.491 5.280 1.00 0.00 H new ATOM 0 HE2 LYS A 119 10.459 -10.624 6.296 1.00 0.00 H new ATOM 0 HE3 LYS A 119 11.453 -10.903 4.880 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 12.106 -12.182 6.865 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 13.357 -11.224 6.231 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 12.535 -10.729 7.633 1.00 0.00 H new ATOM 1834 N ALA A 120 11.851 -4.043 3.796 1.00 0.00 N ATOM 1835 CA ALA A 120 12.121 -2.633 3.602 1.00 0.00 C ATOM 1836 C ALA A 120 12.173 -1.807 4.890 1.00 0.00 C ATOM 1837 O ALA A 120 11.189 -1.182 5.286 1.00 0.00 O ATOM 1838 CB ALA A 120 11.156 -2.044 2.620 1.00 0.00 C ATOM 0 H ALA A 120 10.921 -4.333 3.492 1.00 0.00 H new ATOM 0 HA ALA A 120 13.132 -2.582 3.197 1.00 0.00 H new ATOM 0 HB1 ALA A 120 11.374 -0.984 2.487 1.00 0.00 H new ATOM 0 HB2 ALA A 120 11.252 -2.557 1.663 1.00 0.00 H new ATOM 0 HB3 ALA A 120 10.139 -2.161 2.994 1.00 0.00 H new ATOM 1844 N ALA A 121 13.307 -1.862 5.533 1.00 0.00 N ATOM 1845 CA ALA A 121 13.636 -1.078 6.689 1.00 0.00 C ATOM 1846 C ALA A 121 15.131 -1.116 6.810 1.00 0.00 C ATOM 1847 O ALA A 121 15.798 -0.204 6.287 1.00 0.00 O ATOM 1848 CB ALA A 121 12.990 -1.627 7.954 1.00 0.00 C ATOM 1849 OXT ALA A 121 15.661 -2.108 7.330 1.00 0.00 O ATOM 0 H ALA A 121 14.063 -2.486 5.250 1.00 0.00 H new ATOM 0 HA ALA A 121 13.262 -0.061 6.574 1.00 0.00 H new ATOM 0 HB1 ALA A 121 13.266 -1.003 8.804 1.00 0.00 H new ATOM 0 HB2 ALA A 121 11.906 -1.625 7.839 1.00 0.00 H new ATOM 0 HB3 ALA A 121 13.335 -2.647 8.126 1.00 0.00 H new TER 1855 ALA A 121