USER MOD reduce.3.24.130724 H: found=0, std=0, add=888, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 889 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: B 106 GLN : amide:sc= 0.211 K(o=1,f=-0.54) USER MOD Set 1.2: B 110 TYR OH : rot -134:sc= 0.789 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -172:sc= -0.0485 (180deg=-0.178) USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= -0.125 USER MOD Single : A 7 LYS NZ :NH3+ 149:sc= -1.79! (180deg=-3.39!) USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 14 GLN : amide:sc= -0.0871 X(o=-0.087,f=-0.11) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 THR OG1 : rot 82:sc= 0.234 USER MOD Single : A 20 ASN : amide:sc= 0.129 K(o=0.13,f=-1.4) USER MOD Single : A 22 GLN : amide:sc= -0.248 K(o=-0.25,f=-1.8) USER MOD Single : A 24 GLN :FLIP amide:sc= 0 F(o=-0.54,f=0) USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 GLN : amide:sc= -0.447 X(o=-0.45,f=-0.84) USER MOD Single : A 30 LYS NZ :NH3+ -170:sc=-0.00899 (180deg=-0.14) USER MOD Single : A 33 LYS NZ :NH3+ -165:sc= -0.0431 (180deg=-0.288) USER MOD Single : A 39 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 THR OG1 : rot 52:sc= 0.14 USER MOD Single : A 53 ASN : amide:sc= -0.0233 K(o=-0.023,f=-1.1!) USER MOD Single : B 88 SER OG : rot 180:sc= 0 USER MOD Single : B 100 GLN : amide:sc= -0.0571 K(o=-0.057,f=-0.57) USER MOD Single : B 101 TYR OH : rot 180:sc= 0 USER MOD Single : B 107 ASN : amide:sc= -0.495 K(o=-0.5,f=-2.3!) USER MOD Single : B 111 LYS NZ :NH3+ 161:sc= -0.0745 (180deg=-0.488) USER MOD Single : B 112 LYS NZ :NH3+ -141:sc= -0.664 (180deg=-2.59!) USER MOD Single : B 115 GLN : amide:sc= -0.407 K(o=-0.41,f=-4.5!) USER MOD Single : B 123 LYS NZ :NH3+ 142:sc= -0.0111 (180deg=-0.205) USER MOD Single : B 130 SER OG : rot -20:sc= 0.177 USER MOD Single : B 133 THR OG1 : rot 67:sc= 0.819 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 29.241 -2.820 9.986 1.00 0.00 N ATOM 2 CA MET A 1 29.066 -1.979 8.776 1.00 0.00 C ATOM 3 C MET A 1 29.489 -0.532 9.039 1.00 0.00 C ATOM 4 O MET A 1 29.896 0.179 8.119 1.00 0.00 O ATOM 5 CB MET A 1 27.605 -2.020 8.313 1.00 0.00 C ATOM 6 CG MET A 1 27.309 -1.128 7.115 1.00 0.00 C ATOM 7 SD MET A 1 25.544 -1.003 6.767 1.00 0.00 S ATOM 8 CE MET A 1 25.554 0.138 5.384 1.00 0.00 C ATOM 0 H1 MET A 1 29.077 -3.818 9.742 1.00 0.00 H new ATOM 0 H2 MET A 1 30.209 -2.707 10.350 1.00 0.00 H new ATOM 0 H3 MET A 1 28.560 -2.525 10.715 1.00 0.00 H new ATOM 0 HA MET A 1 29.706 -2.382 7.991 1.00 0.00 H new ATOM 0 HB2 MET A 1 27.343 -3.048 8.061 1.00 0.00 H new ATOM 0 HB3 MET A 1 26.963 -1.722 9.142 1.00 0.00 H new ATOM 0 HG2 MET A 1 27.711 -0.132 7.300 1.00 0.00 H new ATOM 0 HG3 MET A 1 27.822 -1.521 6.237 1.00 0.00 H new ATOM 0 HE1 MET A 1 24.531 0.317 5.053 1.00 0.00 H new ATOM 0 HE2 MET A 1 26.006 1.081 5.693 1.00 0.00 H new ATOM 0 HE3 MET A 1 26.131 -0.289 4.564 1.00 0.00 H new ATOM 20 N ASP A 2 29.417 -0.096 10.292 1.00 0.00 N ATOM 21 CA ASP A 2 29.695 1.298 10.626 1.00 0.00 C ATOM 22 C ASP A 2 31.078 1.464 11.262 1.00 0.00 C ATOM 23 O ASP A 2 31.225 2.093 12.308 1.00 0.00 O ATOM 24 CB ASP A 2 28.600 1.865 11.547 1.00 0.00 C ATOM 25 CG ASP A 2 28.500 1.155 12.888 1.00 0.00 C ATOM 26 OD1 ASP A 2 28.094 -0.027 12.915 1.00 0.00 O ATOM 27 OD2 ASP A 2 28.799 1.785 13.925 1.00 0.00 O ATOM 0 H ASP A 2 29.170 -0.683 11.089 1.00 0.00 H new ATOM 0 HA ASP A 2 29.693 1.865 9.695 1.00 0.00 H new ATOM 0 HB2 ASP A 2 28.795 2.923 11.720 1.00 0.00 H new ATOM 0 HB3 ASP A 2 27.639 1.798 11.038 1.00 0.00 H new ATOM 32 N SER A 3 32.098 0.911 10.614 1.00 0.00 N ATOM 33 CA SER A 3 33.467 1.053 11.095 1.00 0.00 C ATOM 34 C SER A 3 34.112 2.308 10.507 1.00 0.00 C ATOM 35 O SER A 3 34.672 3.132 11.232 1.00 0.00 O ATOM 36 CB SER A 3 34.284 -0.185 10.730 1.00 0.00 C ATOM 37 OG SER A 3 33.665 -1.363 11.224 1.00 0.00 O ATOM 0 H SER A 3 32.003 0.363 9.759 1.00 0.00 H new ATOM 0 HA SER A 3 33.447 1.152 12.180 1.00 0.00 H new ATOM 0 HB2 SER A 3 34.388 -0.251 9.647 1.00 0.00 H new ATOM 0 HB3 SER A 3 35.289 -0.097 11.142 1.00 0.00 H new ATOM 0 HG SER A 3 34.204 -2.144 10.978 1.00 0.00 H new ATOM 43 N ALA A 4 34.025 2.446 9.193 1.00 0.00 N ATOM 44 CA ALA A 4 34.476 3.651 8.515 1.00 0.00 C ATOM 45 C ALA A 4 33.271 4.500 8.151 1.00 0.00 C ATOM 46 O ALA A 4 33.293 5.728 8.252 1.00 0.00 O ATOM 47 CB ALA A 4 35.285 3.300 7.276 1.00 0.00 C ATOM 0 H ALA A 4 33.643 1.733 8.571 1.00 0.00 H new ATOM 0 HA ALA A 4 35.125 4.218 9.182 1.00 0.00 H new ATOM 0 HB1 ALA A 4 35.613 4.216 6.784 1.00 0.00 H new ATOM 0 HB2 ALA A 4 36.156 2.712 7.565 1.00 0.00 H new ATOM 0 HB3 ALA A 4 34.667 2.721 6.590 1.00 0.00 H new ATOM 53 N ILE A 5 32.214 3.822 7.731 1.00 0.00 N ATOM 54 CA ILE A 5 30.928 4.452 7.494 1.00 0.00 C ATOM 55 C ILE A 5 30.337 4.889 8.831 1.00 0.00 C ATOM 56 O ILE A 5 30.498 4.199 9.835 1.00 0.00 O ATOM 57 CB ILE A 5 29.963 3.471 6.789 1.00 0.00 C ATOM 58 CG1 ILE A 5 30.566 2.992 5.464 1.00 0.00 C ATOM 59 CG2 ILE A 5 28.607 4.120 6.553 1.00 0.00 C ATOM 60 CD1 ILE A 5 29.737 1.937 4.764 1.00 0.00 C ATOM 0 H ILE A 5 32.225 2.819 7.545 1.00 0.00 H new ATOM 0 HA ILE A 5 31.067 5.318 6.847 1.00 0.00 H new ATOM 0 HB ILE A 5 29.817 2.608 7.439 1.00 0.00 H new ATOM 0 HG12 ILE A 5 30.686 3.847 4.799 1.00 0.00 H new ATOM 0 HG13 ILE A 5 31.563 2.593 5.652 1.00 0.00 H new ATOM 0 HG21 ILE A 5 27.946 3.410 6.056 1.00 0.00 H new ATOM 0 HG22 ILE A 5 28.173 4.413 7.509 1.00 0.00 H new ATOM 0 HG23 ILE A 5 28.730 5.002 5.925 1.00 0.00 H new ATOM 0 HD11 ILE A 5 30.227 1.647 3.834 1.00 0.00 H new ATOM 0 HD12 ILE A 5 29.639 1.064 5.409 1.00 0.00 H new ATOM 0 HD13 ILE A 5 28.748 2.339 4.543 1.00 0.00 H new ATOM 72 N SER A 6 29.683 6.037 8.859 1.00 0.00 N ATOM 73 CA SER A 6 29.109 6.538 10.089 1.00 0.00 C ATOM 74 C SER A 6 27.635 6.165 10.164 1.00 0.00 C ATOM 75 O SER A 6 27.050 5.720 9.173 1.00 0.00 O ATOM 76 CB SER A 6 29.282 8.061 10.174 1.00 0.00 C ATOM 77 OG SER A 6 28.767 8.574 11.391 1.00 0.00 O ATOM 0 H SER A 6 29.538 6.636 8.046 1.00 0.00 H new ATOM 0 HA SER A 6 29.628 6.084 10.933 1.00 0.00 H new ATOM 0 HB2 SER A 6 30.339 8.314 10.089 1.00 0.00 H new ATOM 0 HB3 SER A 6 28.773 8.534 9.334 1.00 0.00 H new ATOM 0 HG SER A 6 28.893 9.545 11.416 1.00 0.00 H new ATOM 83 N LYS A 7 27.038 6.348 11.337 1.00 0.00 N ATOM 84 CA LYS A 7 25.604 6.183 11.499 1.00 0.00 C ATOM 85 C LYS A 7 24.882 7.141 10.559 1.00 0.00 C ATOM 86 O LYS A 7 23.746 6.907 10.159 1.00 0.00 O ATOM 87 CB LYS A 7 25.212 6.466 12.946 1.00 0.00 C ATOM 88 CG LYS A 7 23.752 6.192 13.247 1.00 0.00 C ATOM 89 CD LYS A 7 23.384 6.543 14.681 1.00 0.00 C ATOM 90 CE LYS A 7 23.804 5.467 15.678 1.00 0.00 C ATOM 91 NZ LYS A 7 25.279 5.278 15.747 1.00 0.00 N ATOM 0 H LYS A 7 27.530 6.612 12.191 1.00 0.00 H new ATOM 0 HA LYS A 7 25.321 5.159 11.256 1.00 0.00 H new ATOM 0 HB2 LYS A 7 25.830 5.858 13.606 1.00 0.00 H new ATOM 0 HB3 LYS A 7 25.431 7.509 13.175 1.00 0.00 H new ATOM 0 HG2 LYS A 7 23.128 6.767 12.563 1.00 0.00 H new ATOM 0 HG3 LYS A 7 23.537 5.139 13.066 1.00 0.00 H new ATOM 0 HD2 LYS A 7 23.856 7.487 14.952 1.00 0.00 H new ATOM 0 HD3 LYS A 7 22.307 6.694 14.748 1.00 0.00 H new ATOM 0 HE2 LYS A 7 23.431 5.732 16.667 1.00 0.00 H new ATOM 0 HE3 LYS A 7 23.335 4.522 15.403 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 25.547 4.984 16.708 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 25.567 4.545 15.067 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 25.755 6.173 15.514 1.00 0.00 H new ATOM 105 N GLU A 8 25.585 8.209 10.206 1.00 0.00 N ATOM 106 CA GLU A 8 25.125 9.202 9.269 1.00 0.00 C ATOM 107 C GLU A 8 24.591 8.562 7.987 1.00 0.00 C ATOM 108 O GLU A 8 23.435 8.767 7.614 1.00 0.00 O ATOM 109 CB GLU A 8 26.317 10.098 8.962 1.00 0.00 C ATOM 110 CG GLU A 8 26.065 11.121 7.890 1.00 0.00 C ATOM 111 CD GLU A 8 24.943 12.076 8.240 1.00 0.00 C ATOM 112 OE1 GLU A 8 25.100 12.859 9.198 1.00 0.00 O ATOM 113 OE2 GLU A 8 23.901 12.054 7.553 1.00 0.00 O ATOM 0 H GLU A 8 26.514 8.406 10.578 1.00 0.00 H new ATOM 0 HA GLU A 8 24.299 9.771 9.696 1.00 0.00 H new ATOM 0 HB2 GLU A 8 26.614 10.613 9.876 1.00 0.00 H new ATOM 0 HB3 GLU A 8 27.158 9.473 8.660 1.00 0.00 H new ATOM 0 HG2 GLU A 8 26.978 11.690 7.715 1.00 0.00 H new ATOM 0 HG3 GLU A 8 25.824 10.611 6.957 1.00 0.00 H new ATOM 120 N ASP A 9 25.436 7.773 7.338 1.00 0.00 N ATOM 121 CA ASP A 9 25.093 7.151 6.063 1.00 0.00 C ATOM 122 C ASP A 9 23.946 6.160 6.238 1.00 0.00 C ATOM 123 O ASP A 9 23.060 6.056 5.389 1.00 0.00 O ATOM 124 CB ASP A 9 26.320 6.443 5.488 1.00 0.00 C ATOM 125 CG ASP A 9 26.104 5.941 4.076 1.00 0.00 C ATOM 126 OD1 ASP A 9 25.844 4.733 3.901 1.00 0.00 O ATOM 127 OD2 ASP A 9 26.212 6.755 3.134 1.00 0.00 O ATOM 0 H ASP A 9 26.371 7.546 7.675 1.00 0.00 H new ATOM 0 HA ASP A 9 24.769 7.928 5.370 1.00 0.00 H new ATOM 0 HB2 ASP A 9 27.167 7.129 5.499 1.00 0.00 H new ATOM 0 HB3 ASP A 9 26.582 5.603 6.131 1.00 0.00 H new ATOM 132 N GLU A 10 23.959 5.464 7.365 1.00 0.00 N ATOM 133 CA GLU A 10 22.939 4.473 7.674 1.00 0.00 C ATOM 134 C GLU A 10 21.584 5.135 7.893 1.00 0.00 C ATOM 135 O GLU A 10 20.599 4.778 7.248 1.00 0.00 O ATOM 136 CB GLU A 10 23.342 3.680 8.920 1.00 0.00 C ATOM 137 CG GLU A 10 22.230 2.805 9.470 1.00 0.00 C ATOM 138 CD GLU A 10 22.643 2.031 10.701 1.00 0.00 C ATOM 139 OE1 GLU A 10 22.680 2.625 11.797 1.00 0.00 O ATOM 140 OE2 GLU A 10 22.925 0.822 10.580 1.00 0.00 O ATOM 0 H GLU A 10 24.672 5.569 8.087 1.00 0.00 H new ATOM 0 HA GLU A 10 22.854 3.793 6.826 1.00 0.00 H new ATOM 0 HB2 GLU A 10 24.201 3.053 8.679 1.00 0.00 H new ATOM 0 HB3 GLU A 10 23.662 4.376 9.695 1.00 0.00 H new ATOM 0 HG2 GLU A 10 21.370 3.429 9.711 1.00 0.00 H new ATOM 0 HG3 GLU A 10 21.910 2.105 8.698 1.00 0.00 H new ATOM 147 N GLU A 11 21.548 6.095 8.809 1.00 0.00 N ATOM 148 CA GLU A 11 20.333 6.821 9.134 1.00 0.00 C ATOM 149 C GLU A 11 19.675 7.422 7.901 1.00 0.00 C ATOM 150 O GLU A 11 18.452 7.450 7.807 1.00 0.00 O ATOM 151 CB GLU A 11 20.640 7.913 10.146 1.00 0.00 C ATOM 152 CG GLU A 11 20.871 7.373 11.541 1.00 0.00 C ATOM 153 CD GLU A 11 19.594 6.880 12.182 1.00 0.00 C ATOM 154 OE1 GLU A 11 18.772 7.723 12.601 1.00 0.00 O ATOM 155 OE2 GLU A 11 19.403 5.653 12.276 1.00 0.00 O ATOM 0 H GLU A 11 22.363 6.390 9.346 1.00 0.00 H new ATOM 0 HA GLU A 11 19.629 6.108 9.562 1.00 0.00 H new ATOM 0 HB2 GLU A 11 21.524 8.463 9.823 1.00 0.00 H new ATOM 0 HB3 GLU A 11 19.814 8.623 10.169 1.00 0.00 H new ATOM 0 HG2 GLU A 11 21.592 6.557 11.498 1.00 0.00 H new ATOM 0 HG3 GLU A 11 21.310 8.153 12.163 1.00 0.00 H new ATOM 162 N ARG A 12 20.479 7.882 6.952 1.00 0.00 N ATOM 163 CA ARG A 12 19.933 8.479 5.738 1.00 0.00 C ATOM 164 C ARG A 12 19.105 7.457 4.967 1.00 0.00 C ATOM 165 O ARG A 12 18.063 7.787 4.397 1.00 0.00 O ATOM 166 CB ARG A 12 21.045 9.043 4.853 1.00 0.00 C ATOM 167 CG ARG A 12 21.779 10.221 5.477 1.00 0.00 C ATOM 168 CD ARG A 12 20.836 11.374 5.789 1.00 0.00 C ATOM 169 NE ARG A 12 21.529 12.488 6.436 1.00 0.00 N ATOM 170 CZ ARG A 12 21.014 13.709 6.574 1.00 0.00 C ATOM 171 NH1 ARG A 12 19.789 13.974 6.139 1.00 0.00 N ATOM 172 NH2 ARG A 12 21.722 14.666 7.158 1.00 0.00 N ATOM 0 H ARG A 12 21.498 7.855 6.996 1.00 0.00 H new ATOM 0 HA ARG A 12 19.284 9.304 6.031 1.00 0.00 H new ATOM 0 HB2 ARG A 12 21.763 8.252 4.636 1.00 0.00 H new ATOM 0 HB3 ARG A 12 20.617 9.355 3.900 1.00 0.00 H new ATOM 0 HG2 ARG A 12 22.273 9.897 6.393 1.00 0.00 H new ATOM 0 HG3 ARG A 12 22.560 10.564 4.798 1.00 0.00 H new ATOM 0 HD2 ARG A 12 20.372 11.722 4.867 1.00 0.00 H new ATOM 0 HD3 ARG A 12 20.033 11.021 6.436 1.00 0.00 H new ATOM 0 HE ARG A 12 22.465 12.319 6.805 1.00 0.00 H new ATOM 0 HH11 ARG A 12 19.235 13.241 5.696 1.00 0.00 H new ATOM 0 HH12 ARG A 12 19.401 14.911 6.248 1.00 0.00 H new ATOM 0 HH21 ARG A 12 22.662 14.468 7.502 1.00 0.00 H new ATOM 0 HH22 ARG A 12 21.327 15.601 7.263 1.00 0.00 H new ATOM 186 N TYR A 13 19.557 6.209 4.975 1.00 0.00 N ATOM 187 CA TYR A 13 18.817 5.138 4.337 1.00 0.00 C ATOM 188 C TYR A 13 17.664 4.680 5.227 1.00 0.00 C ATOM 189 O TYR A 13 16.528 4.572 4.772 1.00 0.00 O ATOM 190 CB TYR A 13 19.747 3.967 4.017 1.00 0.00 C ATOM 191 CG TYR A 13 19.011 2.726 3.577 1.00 0.00 C ATOM 192 CD1 TYR A 13 19.183 1.526 4.250 1.00 0.00 C ATOM 193 CD2 TYR A 13 18.130 2.761 2.506 1.00 0.00 C ATOM 194 CE1 TYR A 13 18.496 0.393 3.868 1.00 0.00 C ATOM 195 CE2 TYR A 13 17.439 1.631 2.116 1.00 0.00 C ATOM 196 CZ TYR A 13 17.626 0.448 2.801 1.00 0.00 C ATOM 197 OH TYR A 13 16.934 -0.681 2.427 1.00 0.00 O ATOM 0 H TYR A 13 20.430 5.919 5.416 1.00 0.00 H new ATOM 0 HA TYR A 13 18.400 5.513 3.403 1.00 0.00 H new ATOM 0 HB2 TYR A 13 20.441 4.267 3.232 1.00 0.00 H new ATOM 0 HB3 TYR A 13 20.344 3.734 4.899 1.00 0.00 H new ATOM 0 HD1 TYR A 13 19.865 1.478 5.086 1.00 0.00 H new ATOM 0 HD2 TYR A 13 17.982 3.686 1.969 1.00 0.00 H new ATOM 0 HE1 TYR A 13 18.639 -0.534 4.403 1.00 0.00 H new ATOM 0 HE2 TYR A 13 16.756 1.673 1.280 1.00 0.00 H new ATOM 0 HH TYR A 13 16.362 -0.475 1.658 1.00 0.00 H new ATOM 207 N GLN A 14 17.967 4.431 6.497 1.00 0.00 N ATOM 208 CA GLN A 14 16.974 3.962 7.465 1.00 0.00 C ATOM 209 C GLN A 14 15.766 4.881 7.504 1.00 0.00 C ATOM 210 O GLN A 14 14.630 4.444 7.328 1.00 0.00 O ATOM 211 CB GLN A 14 17.583 3.902 8.863 1.00 0.00 C ATOM 212 CG GLN A 14 18.717 2.908 9.003 1.00 0.00 C ATOM 213 CD GLN A 14 18.285 1.479 8.744 1.00 0.00 C ATOM 214 OE1 GLN A 14 18.333 1.000 7.614 1.00 0.00 O ATOM 215 NE2 GLN A 14 17.863 0.784 9.788 1.00 0.00 N ATOM 0 H GLN A 14 18.903 4.547 6.886 1.00 0.00 H new ATOM 0 HA GLN A 14 16.658 2.967 7.150 1.00 0.00 H new ATOM 0 HB2 GLN A 14 17.948 4.893 9.131 1.00 0.00 H new ATOM 0 HB3 GLN A 14 16.800 3.647 9.578 1.00 0.00 H new ATOM 0 HG2 GLN A 14 19.513 3.173 8.308 1.00 0.00 H new ATOM 0 HG3 GLN A 14 19.134 2.980 10.008 1.00 0.00 H new ATOM 0 HE21 GLN A 14 17.837 1.216 10.712 1.00 0.00 H new ATOM 0 HE22 GLN A 14 17.564 -0.184 9.669 1.00 0.00 H new ATOM 224 N LYS A 15 16.021 6.154 7.756 1.00 0.00 N ATOM 225 CA LYS A 15 14.960 7.147 7.813 1.00 0.00 C ATOM 226 C LYS A 15 14.165 7.191 6.512 1.00 0.00 C ATOM 227 O LYS A 15 12.966 7.448 6.528 1.00 0.00 O ATOM 228 CB LYS A 15 15.519 8.532 8.136 1.00 0.00 C ATOM 229 CG LYS A 15 16.070 8.636 9.548 1.00 0.00 C ATOM 230 CD LYS A 15 14.965 8.516 10.585 1.00 0.00 C ATOM 231 CE LYS A 15 15.527 8.152 11.945 1.00 0.00 C ATOM 232 NZ LYS A 15 14.476 8.123 12.994 1.00 0.00 N ATOM 0 H LYS A 15 16.956 6.525 7.925 1.00 0.00 H new ATOM 0 HA LYS A 15 14.284 6.850 8.615 1.00 0.00 H new ATOM 0 HB2 LYS A 15 16.309 8.774 7.425 1.00 0.00 H new ATOM 0 HB3 LYS A 15 14.733 9.275 8.003 1.00 0.00 H new ATOM 0 HG2 LYS A 15 16.810 7.852 9.710 1.00 0.00 H new ATOM 0 HG3 LYS A 15 16.584 9.589 9.670 1.00 0.00 H new ATOM 0 HD2 LYS A 15 14.423 9.459 10.653 1.00 0.00 H new ATOM 0 HD3 LYS A 15 14.248 7.758 10.270 1.00 0.00 H new ATOM 0 HE2 LYS A 15 16.009 7.176 11.888 1.00 0.00 H new ATOM 0 HE3 LYS A 15 16.297 8.872 12.223 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 14.904 7.870 13.907 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 14.033 9.061 13.067 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 13.754 7.418 12.743 1.00 0.00 H new ATOM 246 N LEU A 16 14.824 6.913 5.393 1.00 0.00 N ATOM 247 CA LEU A 16 14.158 6.927 4.098 1.00 0.00 C ATOM 248 C LEU A 16 13.149 5.787 3.997 1.00 0.00 C ATOM 249 O LEU A 16 11.999 5.995 3.602 1.00 0.00 O ATOM 250 CB LEU A 16 15.185 6.835 2.968 1.00 0.00 C ATOM 251 CG LEU A 16 14.644 7.118 1.565 1.00 0.00 C ATOM 252 CD1 LEU A 16 13.738 8.338 1.591 1.00 0.00 C ATOM 253 CD2 LEU A 16 15.798 7.324 0.602 1.00 0.00 C ATOM 0 H LEU A 16 15.815 6.676 5.357 1.00 0.00 H new ATOM 0 HA LEU A 16 13.619 7.869 4.001 1.00 0.00 H new ATOM 0 HB2 LEU A 16 15.993 7.537 3.176 1.00 0.00 H new ATOM 0 HB3 LEU A 16 15.621 5.836 2.976 1.00 0.00 H new ATOM 0 HG LEU A 16 14.057 6.264 1.226 1.00 0.00 H new ATOM 0 HD11 LEU A 16 13.358 8.531 0.588 1.00 0.00 H new ATOM 0 HD12 LEU A 16 12.902 8.156 2.267 1.00 0.00 H new ATOM 0 HD13 LEU A 16 14.303 9.203 1.938 1.00 0.00 H new ATOM 0 HD21 LEU A 16 15.408 7.525 -0.396 1.00 0.00 H new ATOM 0 HD22 LEU A 16 16.402 8.169 0.933 1.00 0.00 H new ATOM 0 HD23 LEU A 16 16.415 6.426 0.576 1.00 0.00 H new ATOM 265 N VAL A 17 13.578 4.586 4.365 1.00 0.00 N ATOM 266 CA VAL A 17 12.681 3.432 4.389 1.00 0.00 C ATOM 267 C VAL A 17 11.597 3.658 5.431 1.00 0.00 C ATOM 268 O VAL A 17 10.469 3.188 5.292 1.00 0.00 O ATOM 269 CB VAL A 17 13.430 2.111 4.695 1.00 0.00 C ATOM 270 CG1 VAL A 17 14.823 2.156 4.106 1.00 0.00 C ATOM 271 CG2 VAL A 17 13.478 1.817 6.191 1.00 0.00 C ATOM 0 H VAL A 17 14.536 4.384 4.650 1.00 0.00 H new ATOM 0 HA VAL A 17 12.241 3.334 3.397 1.00 0.00 H new ATOM 0 HB VAL A 17 12.876 1.296 4.229 1.00 0.00 H new ATOM 0 HG11 VAL A 17 15.342 1.223 4.326 1.00 0.00 H new ATOM 0 HG12 VAL A 17 14.757 2.288 3.026 1.00 0.00 H new ATOM 0 HG13 VAL A 17 15.375 2.989 4.541 1.00 0.00 H new ATOM 0 HG21 VAL A 17 14.012 0.882 6.361 1.00 0.00 H new ATOM 0 HG22 VAL A 17 13.994 2.628 6.705 1.00 0.00 H new ATOM 0 HG23 VAL A 17 12.463 1.730 6.578 1.00 0.00 H new ATOM 281 N THR A 18 11.958 4.397 6.469 1.00 0.00 N ATOM 282 CA THR A 18 11.040 4.788 7.495 1.00 0.00 C ATOM 283 C THR A 18 9.940 5.657 6.898 1.00 0.00 C ATOM 284 O THR A 18 8.755 5.359 7.048 1.00 0.00 O ATOM 285 CB THR A 18 11.803 5.552 8.587 1.00 0.00 C ATOM 286 OG1 THR A 18 12.498 4.640 9.445 1.00 0.00 O ATOM 287 CG2 THR A 18 10.877 6.425 9.385 1.00 0.00 C ATOM 0 H THR A 18 12.908 4.739 6.612 1.00 0.00 H new ATOM 0 HA THR A 18 10.578 3.905 7.937 1.00 0.00 H new ATOM 0 HB THR A 18 12.534 6.196 8.099 1.00 0.00 H new ATOM 0 HG1 THR A 18 13.342 4.374 9.024 1.00 0.00 H new ATOM 0 HG21 THR A 18 11.445 6.954 10.151 1.00 0.00 H new ATOM 0 HG22 THR A 18 10.399 7.148 8.724 1.00 0.00 H new ATOM 0 HG23 THR A 18 10.114 5.808 9.860 1.00 0.00 H new ATOM 295 N GLU A 19 10.350 6.709 6.189 1.00 0.00 N ATOM 296 CA GLU A 19 9.421 7.594 5.503 1.00 0.00 C ATOM 297 C GLU A 19 8.499 6.794 4.606 1.00 0.00 C ATOM 298 O GLU A 19 7.313 7.100 4.495 1.00 0.00 O ATOM 299 CB GLU A 19 10.180 8.627 4.673 1.00 0.00 C ATOM 300 CG GLU A 19 11.056 9.545 5.506 1.00 0.00 C ATOM 301 CD GLU A 19 11.745 10.606 4.677 1.00 0.00 C ATOM 302 OE1 GLU A 19 12.945 10.448 4.360 1.00 0.00 O ATOM 303 OE2 GLU A 19 11.085 11.613 4.340 1.00 0.00 O ATOM 0 H GLU A 19 11.330 6.967 6.077 1.00 0.00 H new ATOM 0 HA GLU A 19 8.826 8.114 6.254 1.00 0.00 H new ATOM 0 HB2 GLU A 19 10.801 8.109 3.942 1.00 0.00 H new ATOM 0 HB3 GLU A 19 9.464 9.229 4.114 1.00 0.00 H new ATOM 0 HG2 GLU A 19 10.447 10.026 6.271 1.00 0.00 H new ATOM 0 HG3 GLU A 19 11.808 8.950 6.025 1.00 0.00 H new ATOM 310 N ASN A 20 9.058 5.759 3.984 1.00 0.00 N ATOM 311 CA ASN A 20 8.284 4.854 3.149 1.00 0.00 C ATOM 312 C ASN A 20 7.192 4.168 3.961 1.00 0.00 C ATOM 313 O ASN A 20 6.014 4.367 3.713 1.00 0.00 O ATOM 314 CB ASN A 20 9.188 3.787 2.518 1.00 0.00 C ATOM 315 CG ASN A 20 9.844 4.225 1.226 1.00 0.00 C ATOM 316 OD1 ASN A 20 10.039 3.419 0.316 1.00 0.00 O ATOM 317 ND2 ASN A 20 10.225 5.487 1.144 1.00 0.00 N ATOM 0 H ASN A 20 10.050 5.528 4.045 1.00 0.00 H new ATOM 0 HA ASN A 20 7.824 5.448 2.359 1.00 0.00 H new ATOM 0 HB2 ASN A 20 9.964 3.513 3.233 1.00 0.00 H new ATOM 0 HB3 ASN A 20 8.598 2.890 2.329 1.00 0.00 H new ATOM 0 HD21 ASN A 20 10.698 5.823 0.305 1.00 0.00 H new ATOM 0 HD22 ASN A 20 10.046 6.125 1.919 1.00 0.00 H new ATOM 324 N GLU A 21 7.583 3.403 4.966 1.00 0.00 N ATOM 325 CA GLU A 21 6.632 2.594 5.717 1.00 0.00 C ATOM 326 C GLU A 21 5.544 3.454 6.369 1.00 0.00 C ATOM 327 O GLU A 21 4.390 3.032 6.474 1.00 0.00 O ATOM 328 CB GLU A 21 7.374 1.799 6.785 1.00 0.00 C ATOM 329 CG GLU A 21 8.527 0.990 6.226 1.00 0.00 C ATOM 330 CD GLU A 21 8.101 -0.355 5.679 1.00 0.00 C ATOM 331 OE1 GLU A 21 7.654 -0.417 4.520 1.00 0.00 O ATOM 332 OE2 GLU A 21 8.232 -1.364 6.403 1.00 0.00 O ATOM 0 H GLU A 21 8.550 3.324 5.282 1.00 0.00 H new ATOM 0 HA GLU A 21 6.142 1.915 5.020 1.00 0.00 H new ATOM 0 HB2 GLU A 21 7.752 2.485 7.543 1.00 0.00 H new ATOM 0 HB3 GLU A 21 6.674 1.128 7.283 1.00 0.00 H new ATOM 0 HG2 GLU A 21 9.012 1.560 5.434 1.00 0.00 H new ATOM 0 HG3 GLU A 21 9.269 0.838 7.010 1.00 0.00 H new ATOM 339 N GLN A 22 5.917 4.657 6.802 1.00 0.00 N ATOM 340 CA GLN A 22 4.973 5.577 7.435 1.00 0.00 C ATOM 341 C GLN A 22 3.796 5.883 6.523 1.00 0.00 C ATOM 342 O GLN A 22 2.644 5.588 6.844 1.00 0.00 O ATOM 343 CB GLN A 22 5.647 6.905 7.780 1.00 0.00 C ATOM 344 CG GLN A 22 6.822 6.790 8.735 1.00 0.00 C ATOM 345 CD GLN A 22 7.506 8.123 8.960 1.00 0.00 C ATOM 346 OE1 GLN A 22 7.517 8.982 8.077 1.00 0.00 O ATOM 347 NE2 GLN A 22 8.068 8.310 10.140 1.00 0.00 N ATOM 0 H GLN A 22 6.868 5.018 6.726 1.00 0.00 H new ATOM 0 HA GLN A 22 4.623 5.082 8.341 1.00 0.00 H new ATOM 0 HB2 GLN A 22 5.990 7.373 6.858 1.00 0.00 H new ATOM 0 HB3 GLN A 22 4.904 7.571 8.218 1.00 0.00 H new ATOM 0 HG2 GLN A 22 6.475 6.395 9.690 1.00 0.00 H new ATOM 0 HG3 GLN A 22 7.543 6.076 8.338 1.00 0.00 H new ATOM 0 HE21 GLN A 22 8.036 7.572 10.843 1.00 0.00 H new ATOM 0 HE22 GLN A 22 8.534 9.193 10.349 1.00 0.00 H new ATOM 356 N LEU A 23 4.097 6.465 5.374 1.00 0.00 N ATOM 357 CA LEU A 23 3.068 7.038 4.536 1.00 0.00 C ATOM 358 C LEU A 23 2.348 5.977 3.710 1.00 0.00 C ATOM 359 O LEU A 23 1.237 6.210 3.240 1.00 0.00 O ATOM 360 CB LEU A 23 3.654 8.173 3.684 1.00 0.00 C ATOM 361 CG LEU A 23 4.211 7.826 2.302 1.00 0.00 C ATOM 362 CD1 LEU A 23 4.822 9.067 1.681 1.00 0.00 C ATOM 363 CD2 LEU A 23 5.242 6.720 2.356 1.00 0.00 C ATOM 0 H LEU A 23 5.044 6.551 5.005 1.00 0.00 H new ATOM 0 HA LEU A 23 2.300 7.474 5.175 1.00 0.00 H new ATOM 0 HB2 LEU A 23 2.876 8.925 3.550 1.00 0.00 H new ATOM 0 HB3 LEU A 23 4.454 8.641 4.258 1.00 0.00 H new ATOM 0 HG LEU A 23 3.382 7.465 1.693 1.00 0.00 H new ATOM 0 HD11 LEU A 23 5.220 8.823 0.696 1.00 0.00 H new ATOM 0 HD12 LEU A 23 4.058 9.838 1.583 1.00 0.00 H new ATOM 0 HD13 LEU A 23 5.628 9.433 2.317 1.00 0.00 H new ATOM 0 HD21 LEU A 23 5.606 6.512 1.350 1.00 0.00 H new ATOM 0 HD22 LEU A 23 6.076 7.030 2.986 1.00 0.00 H new ATOM 0 HD23 LEU A 23 4.789 5.820 2.771 1.00 0.00 H new ATOM 375 N GLN A 24 2.971 4.807 3.552 1.00 0.00 N ATOM 376 CA GLN A 24 2.276 3.647 2.994 1.00 0.00 C ATOM 377 C GLN A 24 1.023 3.381 3.815 1.00 0.00 C ATOM 378 O GLN A 24 -0.065 3.155 3.282 1.00 0.00 O ATOM 379 CB GLN A 24 3.148 2.392 3.031 1.00 0.00 C ATOM 380 CG GLN A 24 4.478 2.498 2.313 1.00 0.00 C ATOM 381 CD GLN A 24 5.048 1.148 1.927 1.00 0.00 C ATOM 382 OE1 GLN A 24 4.710 0.123 2.683 1.00 0.00 O flip ATOM 383 NE2 GLN A 24 5.772 1.027 0.937 1.00 0.00 N flip ATOM 0 H GLN A 24 3.946 4.639 3.800 1.00 0.00 H new ATOM 0 HA GLN A 24 2.032 3.870 1.955 1.00 0.00 H new ATOM 0 HB2 GLN A 24 3.337 2.133 4.073 1.00 0.00 H new ATOM 0 HB3 GLN A 24 2.585 1.567 2.595 1.00 0.00 H new ATOM 0 HG2 GLN A 24 4.354 3.104 1.416 1.00 0.00 H new ATOM 0 HG3 GLN A 24 5.191 3.018 2.953 1.00 0.00 H new ATOM 0 HE21 GLN A 24 6.011 1.845 0.377 1.00 0.00 H new ATOM 0 HE22 GLN A 24 6.132 0.109 0.678 1.00 0.00 H new ATOM 392 N ARG A 25 1.199 3.441 5.128 1.00 0.00 N ATOM 393 CA ARG A 25 0.130 3.249 6.072 1.00 0.00 C ATOM 394 C ARG A 25 -0.868 4.394 5.971 1.00 0.00 C ATOM 395 O ARG A 25 -2.073 4.176 5.907 1.00 0.00 O ATOM 396 CB ARG A 25 0.732 3.185 7.476 1.00 0.00 C ATOM 397 CG ARG A 25 -0.175 3.739 8.547 1.00 0.00 C ATOM 398 CD ARG A 25 0.610 4.190 9.767 1.00 0.00 C ATOM 399 NE ARG A 25 -0.261 4.445 10.913 1.00 0.00 N ATOM 400 CZ ARG A 25 -0.160 5.508 11.709 1.00 0.00 C ATOM 401 NH1 ARG A 25 0.770 6.426 11.491 1.00 0.00 N ATOM 402 NH2 ARG A 25 -0.993 5.647 12.728 1.00 0.00 N ATOM 0 H ARG A 25 2.103 3.627 5.563 1.00 0.00 H new ATOM 0 HA ARG A 25 -0.399 2.321 5.856 1.00 0.00 H new ATOM 0 HB2 ARG A 25 0.970 2.148 7.713 1.00 0.00 H new ATOM 0 HB3 ARG A 25 1.671 3.738 7.485 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -0.740 4.580 8.146 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -0.899 2.979 8.840 1.00 0.00 H new ATOM 0 HD2 ARG A 25 1.342 3.426 10.030 1.00 0.00 H new ATOM 0 HD3 ARG A 25 1.167 5.095 9.526 1.00 0.00 H new ATOM 0 HE ARG A 25 -0.993 3.765 11.116 1.00 0.00 H new ATOM 0 HH11 ARG A 25 1.416 6.322 10.708 1.00 0.00 H new ATOM 0 HH12 ARG A 25 0.840 7.237 12.106 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -1.709 4.941 12.901 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -0.919 6.460 13.340 1.00 0.00 H new ATOM 416 N LEU A 26 -0.342 5.614 5.940 1.00 0.00 N ATOM 417 CA LEU A 26 -1.162 6.821 5.917 1.00 0.00 C ATOM 418 C LEU A 26 -2.101 6.830 4.718 1.00 0.00 C ATOM 419 O LEU A 26 -3.250 7.265 4.823 1.00 0.00 O ATOM 420 CB LEU A 26 -0.253 8.050 5.915 1.00 0.00 C ATOM 421 CG LEU A 26 0.652 8.149 7.148 1.00 0.00 C ATOM 422 CD1 LEU A 26 1.637 9.295 7.022 1.00 0.00 C ATOM 423 CD2 LEU A 26 -0.183 8.307 8.412 1.00 0.00 C ATOM 0 H LEU A 26 0.662 5.794 5.930 1.00 0.00 H new ATOM 0 HA LEU A 26 -1.786 6.841 6.810 1.00 0.00 H new ATOM 0 HB2 LEU A 26 0.369 8.030 5.020 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -0.870 8.947 5.855 1.00 0.00 H new ATOM 0 HG LEU A 26 1.222 7.222 7.215 1.00 0.00 H new ATOM 0 HD11 LEU A 26 2.263 9.336 7.913 1.00 0.00 H new ATOM 0 HD12 LEU A 26 2.265 9.140 6.144 1.00 0.00 H new ATOM 0 HD13 LEU A 26 1.092 10.233 6.917 1.00 0.00 H new ATOM 0 HD21 LEU A 26 0.476 8.376 9.277 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -0.783 9.214 8.340 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -0.840 7.445 8.524 1.00 0.00 H new ATOM 435 N ILE A 27 -1.613 6.335 3.588 1.00 0.00 N ATOM 436 CA ILE A 27 -2.448 6.151 2.409 1.00 0.00 C ATOM 437 C ILE A 27 -3.585 5.193 2.723 1.00 0.00 C ATOM 438 O ILE A 27 -4.755 5.537 2.580 1.00 0.00 O ATOM 439 CB ILE A 27 -1.634 5.590 1.226 1.00 0.00 C ATOM 440 CG1 ILE A 27 -0.549 6.578 0.816 1.00 0.00 C ATOM 441 CG2 ILE A 27 -2.542 5.272 0.043 1.00 0.00 C ATOM 442 CD1 ILE A 27 0.393 6.022 -0.223 1.00 0.00 C ATOM 0 H ILE A 27 -0.641 6.053 3.463 1.00 0.00 H new ATOM 0 HA ILE A 27 -2.845 7.127 2.129 1.00 0.00 H new ATOM 0 HB ILE A 27 -1.159 4.663 1.546 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -1.017 7.482 0.427 1.00 0.00 H new ATOM 0 HG13 ILE A 27 0.022 6.869 1.698 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -1.944 4.878 -0.779 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -3.282 4.530 0.342 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -3.049 6.181 -0.281 1.00 0.00 H new ATOM 0 HD11 ILE A 27 1.143 6.773 -0.473 1.00 0.00 H new ATOM 0 HD12 ILE A 27 0.887 5.134 0.171 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -0.169 5.757 -1.119 1.00 0.00 H new ATOM 454 N THR A 28 -3.218 3.999 3.177 1.00 0.00 N ATOM 455 CA THR A 28 -4.179 2.952 3.497 1.00 0.00 C ATOM 456 C THR A 28 -5.247 3.450 4.484 1.00 0.00 C ATOM 457 O THR A 28 -6.430 3.150 4.326 1.00 0.00 O ATOM 458 CB THR A 28 -3.443 1.696 4.044 1.00 0.00 C ATOM 459 OG1 THR A 28 -3.790 0.544 3.267 1.00 0.00 O ATOM 460 CG2 THR A 28 -3.750 1.423 5.513 1.00 0.00 C ATOM 0 H THR A 28 -2.246 3.731 3.333 1.00 0.00 H new ATOM 0 HA THR A 28 -4.698 2.674 2.580 1.00 0.00 H new ATOM 0 HB THR A 28 -2.375 1.901 3.964 1.00 0.00 H new ATOM 0 HG1 THR A 28 -3.320 -0.241 3.618 1.00 0.00 H new ATOM 0 HG21 THR A 28 -3.209 0.535 5.839 1.00 0.00 H new ATOM 0 HG22 THR A 28 -3.440 2.278 6.114 1.00 0.00 H new ATOM 0 HG23 THR A 28 -4.821 1.261 5.637 1.00 0.00 H new ATOM 468 N GLN A 29 -4.824 4.239 5.470 1.00 0.00 N ATOM 469 CA GLN A 29 -5.730 4.771 6.486 1.00 0.00 C ATOM 470 C GLN A 29 -6.798 5.645 5.852 1.00 0.00 C ATOM 471 O GLN A 29 -7.996 5.444 6.053 1.00 0.00 O ATOM 472 CB GLN A 29 -4.950 5.607 7.496 1.00 0.00 C ATOM 473 CG GLN A 29 -3.835 4.851 8.183 1.00 0.00 C ATOM 474 CD GLN A 29 -4.342 3.841 9.192 1.00 0.00 C ATOM 475 OE1 GLN A 29 -5.369 4.050 9.835 1.00 0.00 O ATOM 476 NE2 GLN A 29 -3.637 2.732 9.324 1.00 0.00 N ATOM 0 H GLN A 29 -3.852 4.526 5.587 1.00 0.00 H new ATOM 0 HA GLN A 29 -6.205 3.927 6.986 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -4.529 6.474 6.988 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -5.640 5.984 8.251 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -3.235 4.337 7.432 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -3.178 5.561 8.686 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -2.790 2.597 8.772 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -3.939 2.010 9.978 1.00 0.00 H new ATOM 485 N LYS A 30 -6.341 6.628 5.098 1.00 0.00 N ATOM 486 CA LYS A 30 -7.233 7.583 4.457 1.00 0.00 C ATOM 487 C LYS A 30 -8.050 6.934 3.343 1.00 0.00 C ATOM 488 O LYS A 30 -9.231 7.234 3.186 1.00 0.00 O ATOM 489 CB LYS A 30 -6.433 8.769 3.923 1.00 0.00 C ATOM 490 CG LYS A 30 -5.683 9.518 5.018 1.00 0.00 C ATOM 491 CD LYS A 30 -6.625 9.961 6.131 1.00 0.00 C ATOM 492 CE LYS A 30 -5.897 10.746 7.207 1.00 0.00 C ATOM 493 NZ LYS A 30 -4.862 9.926 7.885 1.00 0.00 N ATOM 0 H LYS A 30 -5.351 6.788 4.912 1.00 0.00 H new ATOM 0 HA LYS A 30 -7.939 7.940 5.207 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -5.720 8.415 3.178 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -7.108 9.458 3.415 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -4.904 8.878 5.431 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -5.186 10.389 4.591 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -7.422 10.574 5.710 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -7.098 9.086 6.577 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -5.430 11.625 6.762 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -6.616 11.105 7.944 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -4.506 10.436 8.719 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -5.277 9.021 8.184 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -4.076 9.746 7.228 1.00 0.00 H new ATOM 507 N GLU A 31 -7.430 6.035 2.588 1.00 0.00 N ATOM 508 CA GLU A 31 -8.106 5.355 1.485 1.00 0.00 C ATOM 509 C GLU A 31 -9.349 4.605 1.952 1.00 0.00 C ATOM 510 O GLU A 31 -10.438 4.806 1.410 1.00 0.00 O ATOM 511 CB GLU A 31 -7.151 4.390 0.782 1.00 0.00 C ATOM 512 CG GLU A 31 -6.263 5.063 -0.248 1.00 0.00 C ATOM 513 CD GLU A 31 -7.025 5.455 -1.499 1.00 0.00 C ATOM 514 OE1 GLU A 31 -6.706 4.918 -2.582 1.00 0.00 O ATOM 515 OE2 GLU A 31 -7.955 6.284 -1.412 1.00 0.00 O ATOM 0 H GLU A 31 -6.457 5.758 2.719 1.00 0.00 H new ATOM 0 HA GLU A 31 -8.424 6.125 0.782 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -6.524 3.903 1.529 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -7.732 3.607 0.294 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -5.810 5.951 0.192 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -5.449 4.390 -0.517 1.00 0.00 H new ATOM 522 N GLU A 32 -9.195 3.756 2.961 1.00 0.00 N ATOM 523 CA GLU A 32 -10.318 2.970 3.465 1.00 0.00 C ATOM 524 C GLU A 32 -11.355 3.871 4.127 1.00 0.00 C ATOM 525 O GLU A 32 -12.546 3.553 4.152 1.00 0.00 O ATOM 526 CB GLU A 32 -9.839 1.900 4.451 1.00 0.00 C ATOM 527 CG GLU A 32 -9.101 2.459 5.653 1.00 0.00 C ATOM 528 CD GLU A 32 -8.693 1.387 6.637 1.00 0.00 C ATOM 529 OE1 GLU A 32 -9.333 1.278 7.704 1.00 0.00 O ATOM 530 OE2 GLU A 32 -7.732 0.644 6.350 1.00 0.00 O ATOM 0 H GLU A 32 -8.311 3.594 3.444 1.00 0.00 H new ATOM 0 HA GLU A 32 -10.784 2.471 2.615 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -10.700 1.329 4.799 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -9.185 1.203 3.927 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -8.213 2.992 5.313 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -9.736 3.187 6.158 1.00 0.00 H new ATOM 537 N LYS A 33 -10.895 5.000 4.644 1.00 0.00 N ATOM 538 CA LYS A 33 -11.769 5.945 5.315 1.00 0.00 C ATOM 539 C LYS A 33 -12.612 6.703 4.289 1.00 0.00 C ATOM 540 O LYS A 33 -13.832 6.822 4.435 1.00 0.00 O ATOM 541 CB LYS A 33 -10.935 6.918 6.152 1.00 0.00 C ATOM 542 CG LYS A 33 -11.742 7.702 7.170 1.00 0.00 C ATOM 543 CD LYS A 33 -12.349 6.787 8.219 1.00 0.00 C ATOM 544 CE LYS A 33 -13.097 7.574 9.278 1.00 0.00 C ATOM 545 NZ LYS A 33 -12.205 8.505 10.017 1.00 0.00 N ATOM 0 H LYS A 33 -9.916 5.283 4.610 1.00 0.00 H new ATOM 0 HA LYS A 33 -12.442 5.402 5.978 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -10.157 6.360 6.672 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -10.433 7.618 5.484 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -11.102 8.439 7.655 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -12.534 8.252 6.663 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -13.029 6.083 7.739 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -11.561 6.199 8.690 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -13.901 8.140 8.808 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -13.562 6.883 9.981 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -12.682 8.830 10.882 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -11.324 8.014 10.271 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -11.983 9.324 9.416 1.00 0.00 H new ATOM 559 N ILE A 34 -11.956 7.200 3.245 1.00 0.00 N ATOM 560 CA ILE A 34 -12.642 7.898 2.163 1.00 0.00 C ATOM 561 C ILE A 34 -13.587 6.951 1.429 1.00 0.00 C ATOM 562 O ILE A 34 -14.648 7.361 0.959 1.00 0.00 O ATOM 563 CB ILE A 34 -11.640 8.512 1.154 1.00 0.00 C ATOM 564 CG1 ILE A 34 -10.845 9.634 1.817 1.00 0.00 C ATOM 565 CG2 ILE A 34 -12.368 9.038 -0.074 1.00 0.00 C ATOM 566 CD1 ILE A 34 -9.465 9.834 1.220 1.00 0.00 C ATOM 0 H ILE A 34 -10.945 7.132 3.125 1.00 0.00 H new ATOM 0 HA ILE A 34 -13.216 8.708 2.613 1.00 0.00 H new ATOM 0 HB ILE A 34 -10.950 7.731 0.836 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -11.406 10.565 1.733 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -10.744 9.417 2.880 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -11.646 9.465 -0.770 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -12.900 8.220 -0.560 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -13.080 9.806 0.227 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -8.958 10.647 1.740 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -8.886 8.917 1.328 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -9.558 10.082 0.163 1.00 0.00 H new ATOM 578 N ARG A 35 -13.199 5.681 1.351 1.00 0.00 N ATOM 579 CA ARG A 35 -13.985 4.667 0.687 1.00 0.00 C ATOM 580 C ARG A 35 -15.406 4.631 1.238 1.00 0.00 C ATOM 581 O ARG A 35 -16.375 4.501 0.486 1.00 0.00 O ATOM 582 CB ARG A 35 -13.300 3.322 0.890 1.00 0.00 C ATOM 583 CG ARG A 35 -13.380 2.419 -0.317 1.00 0.00 C ATOM 584 CD ARG A 35 -14.773 1.838 -0.504 1.00 0.00 C ATOM 585 NE ARG A 35 -14.936 1.211 -1.813 1.00 0.00 N ATOM 586 CZ ARG A 35 -16.020 0.533 -2.183 1.00 0.00 C ATOM 587 NH1 ARG A 35 -17.000 0.314 -1.315 1.00 0.00 N ATOM 588 NH2 ARG A 35 -16.119 0.058 -3.418 1.00 0.00 N ATOM 0 H ARG A 35 -12.327 5.334 1.750 1.00 0.00 H new ATOM 0 HA ARG A 35 -14.054 4.895 -0.377 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -12.252 3.490 1.139 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -13.754 2.817 1.743 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -13.099 2.980 -1.208 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -12.660 1.607 -0.211 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -14.966 1.102 0.276 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -15.514 2.629 -0.387 1.00 0.00 H new ATOM 0 HE ARG A 35 -14.173 1.298 -2.484 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -16.924 0.666 -0.361 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -17.829 -0.206 -1.602 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -15.364 0.212 -4.086 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -16.951 -0.461 -3.700 1.00 0.00 H new ATOM 602 N VAL A 36 -15.523 4.763 2.550 1.00 0.00 N ATOM 603 CA VAL A 36 -16.822 4.770 3.199 1.00 0.00 C ATOM 604 C VAL A 36 -17.562 6.065 2.897 1.00 0.00 C ATOM 605 O VAL A 36 -18.768 6.058 2.640 1.00 0.00 O ATOM 606 CB VAL A 36 -16.691 4.604 4.717 1.00 0.00 C ATOM 607 CG1 VAL A 36 -18.059 4.393 5.342 1.00 0.00 C ATOM 608 CG2 VAL A 36 -15.753 3.454 5.040 1.00 0.00 C ATOM 0 H VAL A 36 -14.732 4.867 3.186 1.00 0.00 H new ATOM 0 HA VAL A 36 -17.387 3.926 2.804 1.00 0.00 H new ATOM 0 HB VAL A 36 -16.265 5.514 5.140 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -17.952 4.276 6.420 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -18.692 5.255 5.131 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -18.516 3.496 4.924 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -15.668 3.346 6.121 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -16.148 2.532 4.613 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -14.769 3.657 4.617 1.00 0.00 H new ATOM 618 N LEU A 37 -16.827 7.171 2.928 1.00 0.00 N ATOM 619 CA LEU A 37 -17.376 8.474 2.561 1.00 0.00 C ATOM 620 C LEU A 37 -17.996 8.412 1.183 1.00 0.00 C ATOM 621 O LEU A 37 -19.076 8.940 0.960 1.00 0.00 O ATOM 622 CB LEU A 37 -16.291 9.552 2.584 1.00 0.00 C ATOM 623 CG LEU A 37 -16.261 10.429 3.834 1.00 0.00 C ATOM 624 CD1 LEU A 37 -17.357 11.483 3.772 1.00 0.00 C ATOM 625 CD2 LEU A 37 -16.407 9.571 5.081 1.00 0.00 C ATOM 0 H LEU A 37 -15.845 7.192 3.204 1.00 0.00 H new ATOM 0 HA LEU A 37 -18.142 8.733 3.292 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -15.320 9.068 2.478 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -16.424 10.195 1.714 1.00 0.00 H new ATOM 0 HG LEU A 37 -15.300 10.942 3.879 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -17.321 12.099 4.671 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -17.207 12.112 2.895 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -18.329 10.994 3.706 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -16.384 10.208 5.965 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -17.355 9.034 5.045 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -15.587 8.855 5.128 1.00 0.00 H new ATOM 637 N ARG A 38 -17.301 7.745 0.272 1.00 0.00 N ATOM 638 CA ARG A 38 -17.786 7.572 -1.093 1.00 0.00 C ATOM 639 C ARG A 38 -19.199 7.001 -1.093 1.00 0.00 C ATOM 640 O ARG A 38 -20.102 7.581 -1.684 1.00 0.00 O ATOM 641 CB ARG A 38 -16.859 6.654 -1.895 1.00 0.00 C ATOM 642 CG ARG A 38 -15.434 7.167 -2.005 1.00 0.00 C ATOM 643 CD ARG A 38 -14.617 6.342 -2.987 1.00 0.00 C ATOM 644 NE ARG A 38 -15.133 6.459 -4.349 1.00 0.00 N ATOM 645 CZ ARG A 38 -14.530 5.962 -5.427 1.00 0.00 C ATOM 646 NH1 ARG A 38 -13.391 5.289 -5.313 1.00 0.00 N ATOM 647 NH2 ARG A 38 -15.070 6.137 -6.625 1.00 0.00 N ATOM 0 H ARG A 38 -16.395 7.312 0.453 1.00 0.00 H new ATOM 0 HA ARG A 38 -17.798 8.554 -1.566 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -16.846 5.669 -1.428 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -17.268 6.526 -2.897 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -15.445 8.209 -2.325 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -14.960 7.140 -1.024 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -13.578 6.670 -2.962 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -14.629 5.296 -2.682 1.00 0.00 H new ATOM 0 HE ARG A 38 -16.014 6.955 -4.483 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -12.971 5.149 -4.394 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -12.936 4.912 -6.144 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -15.946 6.652 -6.719 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -14.610 5.757 -7.452 1.00 0.00 H new ATOM 661 N GLN A 39 -19.381 5.880 -0.397 1.00 0.00 N ATOM 662 CA GLN A 39 -20.684 5.220 -0.310 1.00 0.00 C ATOM 663 C GLN A 39 -21.727 6.156 0.279 1.00 0.00 C ATOM 664 O GLN A 39 -22.868 6.209 -0.184 1.00 0.00 O ATOM 665 CB GLN A 39 -20.577 3.968 0.560 1.00 0.00 C ATOM 666 CG GLN A 39 -19.447 3.042 0.154 1.00 0.00 C ATOM 667 CD GLN A 39 -19.680 2.404 -1.196 1.00 0.00 C ATOM 668 OE1 GLN A 39 -20.259 1.322 -1.296 1.00 0.00 O ATOM 669 NE2 GLN A 39 -19.234 3.065 -2.243 1.00 0.00 N ATOM 0 H GLN A 39 -18.638 5.407 0.118 1.00 0.00 H new ATOM 0 HA GLN A 39 -20.992 4.942 -1.318 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -20.435 4.268 1.598 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -21.519 3.421 0.513 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -18.512 3.602 0.131 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -19.333 2.262 0.906 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -18.759 3.959 -2.117 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -19.363 2.683 -3.180 1.00 0.00 H new ATOM 678 N ARG A 40 -21.318 6.888 1.301 1.00 0.00 N ATOM 679 CA ARG A 40 -22.176 7.856 1.951 1.00 0.00 C ATOM 680 C ARG A 40 -22.617 8.931 0.966 1.00 0.00 C ATOM 681 O ARG A 40 -23.792 9.307 0.921 1.00 0.00 O ATOM 682 CB ARG A 40 -21.425 8.471 3.124 1.00 0.00 C ATOM 683 CG ARG A 40 -21.222 7.499 4.276 1.00 0.00 C ATOM 684 CD ARG A 40 -20.376 8.097 5.388 1.00 0.00 C ATOM 685 NE ARG A 40 -20.152 7.138 6.474 1.00 0.00 N ATOM 686 CZ ARG A 40 -20.034 7.475 7.760 1.00 0.00 C ATOM 687 NH1 ARG A 40 -20.231 8.728 8.147 1.00 0.00 N ATOM 688 NH2 ARG A 40 -19.767 6.546 8.670 1.00 0.00 N ATOM 0 H ARG A 40 -20.382 6.826 1.701 1.00 0.00 H new ATOM 0 HA ARG A 40 -23.074 7.359 2.318 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -20.453 8.826 2.780 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -21.974 9.342 3.483 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -22.192 7.206 4.677 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -20.743 6.593 3.905 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -19.417 8.418 4.983 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -20.869 8.985 5.783 1.00 0.00 H new ATOM 0 HE ARG A 40 -20.082 6.150 6.231 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -20.474 9.442 7.460 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -20.139 8.978 9.132 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -19.652 5.573 8.387 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -19.677 6.805 9.652 1.00 0.00 H new ATOM 702 N LEU A 41 -21.668 9.408 0.169 1.00 0.00 N ATOM 703 CA LEU A 41 -21.956 10.397 -0.863 1.00 0.00 C ATOM 704 C LEU A 41 -22.851 9.807 -1.946 1.00 0.00 C ATOM 705 O LEU A 41 -23.669 10.514 -2.510 1.00 0.00 O ATOM 706 CB LEU A 41 -20.682 10.910 -1.537 1.00 0.00 C ATOM 707 CG LEU A 41 -19.510 11.272 -0.622 1.00 0.00 C ATOM 708 CD1 LEU A 41 -18.293 11.622 -1.456 1.00 0.00 C ATOM 709 CD2 LEU A 41 -19.857 12.425 0.305 1.00 0.00 C ATOM 0 H LEU A 41 -20.689 9.125 0.218 1.00 0.00 H new ATOM 0 HA LEU A 41 -22.458 11.224 -0.361 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -20.341 10.150 -2.240 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -20.940 11.793 -2.122 1.00 0.00 H new ATOM 0 HG LEU A 41 -19.289 10.403 -0.002 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -17.463 11.879 -0.798 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -18.016 10.767 -2.073 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -18.524 12.472 -2.097 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -19.000 12.653 0.939 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -20.114 13.303 -0.287 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -20.706 12.147 0.929 1.00 0.00 H new ATOM 721 N VAL A 42 -22.681 8.516 -2.243 1.00 0.00 N ATOM 722 CA VAL A 42 -23.445 7.853 -3.304 1.00 0.00 C ATOM 723 C VAL A 42 -24.945 8.085 -3.148 1.00 0.00 C ATOM 724 O VAL A 42 -25.623 8.474 -4.101 1.00 0.00 O ATOM 725 CB VAL A 42 -23.162 6.331 -3.334 1.00 0.00 C ATOM 726 CG1 VAL A 42 -24.075 5.613 -4.318 1.00 0.00 C ATOM 727 CG2 VAL A 42 -21.706 6.060 -3.676 1.00 0.00 C ATOM 0 H VAL A 42 -22.019 7.907 -1.762 1.00 0.00 H new ATOM 0 HA VAL A 42 -23.119 8.295 -4.246 1.00 0.00 H new ATOM 0 HB VAL A 42 -23.367 5.941 -2.337 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -23.849 4.547 -4.313 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -25.114 5.765 -4.027 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -23.917 6.013 -5.320 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -21.530 4.984 -3.691 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -21.478 6.479 -4.656 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -21.064 6.522 -2.926 1.00 0.00 H new ATOM 737 N GLU A 43 -25.456 7.863 -1.946 1.00 0.00 N ATOM 738 CA GLU A 43 -26.876 8.046 -1.683 1.00 0.00 C ATOM 739 C GLU A 43 -27.255 9.517 -1.790 1.00 0.00 C ATOM 740 O GLU A 43 -28.335 9.859 -2.267 1.00 0.00 O ATOM 741 CB GLU A 43 -27.235 7.518 -0.298 1.00 0.00 C ATOM 742 CG GLU A 43 -26.917 6.046 -0.110 1.00 0.00 C ATOM 743 CD GLU A 43 -27.292 5.557 1.271 1.00 0.00 C ATOM 744 OE1 GLU A 43 -26.493 5.750 2.210 1.00 0.00 O ATOM 745 OE2 GLU A 43 -28.395 4.990 1.425 1.00 0.00 O ATOM 0 H GLU A 43 -24.911 7.557 -1.140 1.00 0.00 H new ATOM 0 HA GLU A 43 -27.435 7.484 -2.431 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -26.697 8.097 0.453 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -28.299 7.677 -0.122 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -27.451 5.461 -0.859 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -25.852 5.881 -0.276 1.00 0.00 H new ATOM 752 N ARG A 44 -26.346 10.376 -1.358 1.00 0.00 N ATOM 753 CA ARG A 44 -26.563 11.815 -1.396 1.00 0.00 C ATOM 754 C ARG A 44 -26.526 12.336 -2.826 1.00 0.00 C ATOM 755 O ARG A 44 -27.342 13.173 -3.219 1.00 0.00 O ATOM 756 CB ARG A 44 -25.481 12.524 -0.579 1.00 0.00 C ATOM 757 CG ARG A 44 -25.509 12.189 0.900 1.00 0.00 C ATOM 758 CD ARG A 44 -24.445 12.965 1.658 1.00 0.00 C ATOM 759 NE ARG A 44 -24.559 12.794 3.105 1.00 0.00 N ATOM 760 CZ ARG A 44 -24.919 13.769 3.939 1.00 0.00 C ATOM 761 NH1 ARG A 44 -25.278 14.955 3.461 1.00 0.00 N ATOM 762 NH2 ARG A 44 -24.930 13.555 5.251 1.00 0.00 N ATOM 0 H ARG A 44 -25.443 10.099 -0.973 1.00 0.00 H new ATOM 0 HA ARG A 44 -27.546 12.019 -0.973 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -24.503 12.260 -0.983 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -25.596 13.601 -0.700 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -26.492 12.420 1.310 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -25.350 11.119 1.037 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -23.458 12.637 1.332 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -24.526 14.024 1.412 1.00 0.00 H new ATOM 0 HE ARG A 44 -24.351 11.876 3.499 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -25.278 15.120 2.454 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -25.553 15.700 4.100 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -24.662 12.643 5.621 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -25.206 14.303 5.887 1.00 0.00 H new ATOM 776 N GLY A 45 -25.594 11.816 -3.602 1.00 0.00 N ATOM 777 CA GLY A 45 -25.318 12.369 -4.905 1.00 0.00 C ATOM 778 C GLY A 45 -24.567 13.678 -4.768 1.00 0.00 C ATOM 779 O GLY A 45 -25.153 14.757 -4.874 1.00 0.00 O ATOM 0 H GLY A 45 -25.019 11.013 -3.349 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -24.729 11.663 -5.491 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -26.251 12.531 -5.445 1.00 0.00 H new ATOM 783 N ASP A 46 -23.267 13.570 -4.510 1.00 0.00 N ATOM 784 CA ASP A 46 -22.426 14.722 -4.177 1.00 0.00 C ATOM 785 C ASP A 46 -22.410 15.767 -5.293 1.00 0.00 C ATOM 786 O ASP A 46 -22.230 16.954 -5.032 1.00 0.00 O ATOM 787 CB ASP A 46 -21.000 14.254 -3.868 1.00 0.00 C ATOM 788 CG ASP A 46 -20.089 15.379 -3.417 1.00 0.00 C ATOM 789 OD1 ASP A 46 -19.046 15.606 -4.069 1.00 0.00 O ATOM 790 OD2 ASP A 46 -20.405 16.040 -2.406 1.00 0.00 O ATOM 0 H ASP A 46 -22.764 12.683 -4.525 1.00 0.00 H new ATOM 0 HA ASP A 46 -22.854 15.199 -3.295 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -21.035 13.490 -3.092 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -20.577 13.786 -4.757 1.00 0.00 H new ATOM 795 N ALA A 47 -22.631 15.329 -6.526 1.00 0.00 N ATOM 796 CA ALA A 47 -22.633 16.233 -7.674 1.00 0.00 C ATOM 797 C ALA A 47 -23.764 17.255 -7.575 1.00 0.00 C ATOM 798 O ALA A 47 -23.652 18.373 -8.081 1.00 0.00 O ATOM 799 CB ALA A 47 -22.745 15.443 -8.969 1.00 0.00 C ATOM 0 H ALA A 47 -22.812 14.353 -6.759 1.00 0.00 H new ATOM 0 HA ALA A 47 -21.689 16.778 -7.673 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -22.745 16.130 -9.815 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -21.898 14.762 -9.054 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -23.672 14.870 -8.967 1.00 0.00 H new ATOM 805 N LYS A 48 -24.848 16.871 -6.914 1.00 0.00 N ATOM 806 CA LYS A 48 -25.998 17.751 -6.756 1.00 0.00 C ATOM 807 C LYS A 48 -26.049 18.303 -5.331 1.00 0.00 C ATOM 808 O LYS A 48 -26.957 19.055 -4.971 1.00 0.00 O ATOM 809 CB LYS A 48 -27.289 16.989 -7.093 1.00 0.00 C ATOM 810 CG LYS A 48 -28.535 17.860 -7.114 1.00 0.00 C ATOM 811 CD LYS A 48 -28.420 18.968 -8.146 1.00 0.00 C ATOM 812 CE LYS A 48 -29.443 20.054 -7.907 1.00 0.00 C ATOM 813 NZ LYS A 48 -29.268 21.188 -8.847 1.00 0.00 N ATOM 0 H LYS A 48 -24.955 15.955 -6.478 1.00 0.00 H new ATOM 0 HA LYS A 48 -25.902 18.592 -7.443 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -27.174 16.514 -8.067 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -27.428 16.191 -6.364 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -29.407 17.245 -7.335 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -28.693 18.295 -6.127 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -27.418 19.396 -8.112 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -28.555 18.552 -9.145 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -30.445 19.641 -8.018 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -29.358 20.415 -6.882 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -29.987 21.914 -8.653 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -28.320 21.598 -8.724 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -29.374 20.848 -9.824 1.00 0.00 H new ATOM 827 N GLY A 49 -25.045 17.941 -4.538 1.00 0.00 N ATOM 828 CA GLY A 49 -25.001 18.337 -3.141 1.00 0.00 C ATOM 829 C GLY A 49 -25.065 19.839 -2.950 1.00 0.00 C ATOM 830 O GLY A 49 -24.132 20.563 -3.307 1.00 0.00 O ATOM 0 H GLY A 49 -24.253 17.374 -4.842 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -25.833 17.873 -2.611 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -24.084 17.957 -2.690 1.00 0.00 H new ATOM 834 N THR A 50 -26.172 20.308 -2.399 1.00 0.00 N ATOM 835 CA THR A 50 -26.354 21.720 -2.134 1.00 0.00 C ATOM 836 C THR A 50 -26.396 21.963 -0.628 1.00 0.00 C ATOM 837 O THR A 50 -27.460 21.929 -0.007 1.00 0.00 O ATOM 838 CB THR A 50 -27.647 22.242 -2.790 1.00 0.00 C ATOM 839 OG1 THR A 50 -27.705 21.803 -4.157 1.00 0.00 O ATOM 840 CG2 THR A 50 -27.710 23.763 -2.745 1.00 0.00 C ATOM 0 H THR A 50 -26.962 19.724 -2.126 1.00 0.00 H new ATOM 0 HA THR A 50 -25.512 22.262 -2.564 1.00 0.00 H new ATOM 0 HB THR A 50 -28.496 21.845 -2.234 1.00 0.00 H new ATOM 0 HG1 THR A 50 -27.573 20.833 -4.195 1.00 0.00 H new ATOM 0 HG21 THR A 50 -28.633 24.103 -3.215 1.00 0.00 H new ATOM 0 HG22 THR A 50 -27.686 24.098 -1.708 1.00 0.00 H new ATOM 0 HG23 THR A 50 -26.856 24.179 -3.280 1.00 0.00 H new ATOM 848 N GLU A 51 -25.225 22.189 -0.051 1.00 0.00 N ATOM 849 CA GLU A 51 -25.097 22.394 1.385 1.00 0.00 C ATOM 850 C GLU A 51 -25.479 23.821 1.763 1.00 0.00 C ATOM 851 O GLU A 51 -25.056 24.777 1.113 1.00 0.00 O ATOM 852 CB GLU A 51 -23.665 22.082 1.828 1.00 0.00 C ATOM 853 CG GLU A 51 -22.611 22.691 0.929 1.00 0.00 C ATOM 854 CD GLU A 51 -21.202 22.418 1.402 1.00 0.00 C ATOM 855 OE1 GLU A 51 -20.654 21.351 1.066 1.00 0.00 O ATOM 856 OE2 GLU A 51 -20.631 23.281 2.101 1.00 0.00 O ATOM 0 H GLU A 51 -24.342 22.235 -0.560 1.00 0.00 H new ATOM 0 HA GLU A 51 -25.780 21.717 1.899 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -23.520 22.447 2.845 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -23.528 21.001 1.855 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -22.732 22.299 -0.081 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -22.767 23.768 0.873 1.00 0.00 H new ATOM 863 N LEU A 52 -26.293 23.957 2.800 1.00 0.00 N ATOM 864 CA LEU A 52 -26.758 25.267 3.240 1.00 0.00 C ATOM 865 C LEU A 52 -26.453 25.495 4.717 1.00 0.00 C ATOM 866 O LEU A 52 -26.597 26.607 5.227 1.00 0.00 O ATOM 867 CB LEU A 52 -28.262 25.407 2.993 1.00 0.00 C ATOM 868 CG LEU A 52 -28.709 25.225 1.539 1.00 0.00 C ATOM 869 CD1 LEU A 52 -30.223 25.309 1.434 1.00 0.00 C ATOM 870 CD2 LEU A 52 -28.054 26.266 0.640 1.00 0.00 C ATOM 0 H LEU A 52 -26.646 23.176 3.354 1.00 0.00 H new ATOM 0 HA LEU A 52 -26.226 26.021 2.660 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -28.784 24.676 3.610 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -28.578 26.394 3.332 1.00 0.00 H new ATOM 0 HG LEU A 52 -28.393 24.237 1.205 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -30.523 25.178 0.394 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -30.674 24.526 2.044 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -30.559 26.284 1.788 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -28.385 26.119 -0.388 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -28.337 27.264 0.973 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -26.970 26.161 0.691 1.00 0.00 H new ATOM 882 N ASN A 53 -26.027 24.442 5.398 1.00 0.00 N ATOM 883 CA ASN A 53 -25.713 24.526 6.821 1.00 0.00 C ATOM 884 C ASN A 53 -24.275 24.102 7.079 1.00 0.00 C ATOM 885 O ASN A 53 -23.959 23.524 8.120 1.00 0.00 O ATOM 886 CB ASN A 53 -26.667 23.653 7.646 1.00 0.00 C ATOM 887 CG ASN A 53 -28.069 24.225 7.724 1.00 0.00 C ATOM 888 OD1 ASN A 53 -28.258 25.440 7.670 1.00 0.00 O ATOM 889 ND2 ASN A 53 -29.060 23.359 7.860 1.00 0.00 N ATOM 0 H ASN A 53 -25.890 23.517 4.990 1.00 0.00 H new ATOM 0 HA ASN A 53 -25.837 25.565 7.128 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -26.710 22.656 7.208 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -26.269 23.541 8.654 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -30.022 23.691 7.924 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -28.862 22.359 7.901 1.00 0.00 H new TER 896 ASN A 53 ATOM 897 N GLY B 84 28.777 11.517 -3.563 1.00 0.00 N ATOM 898 CA GLY B 84 29.521 10.458 -2.916 1.00 0.00 C ATOM 899 C GLY B 84 29.838 9.333 -3.879 1.00 0.00 C ATOM 900 O GLY B 84 29.044 8.401 -4.027 1.00 0.00 O ATOM 0 HA2 GLY B 84 30.448 10.860 -2.507 1.00 0.00 H new ATOM 0 HA3 GLY B 84 28.945 10.068 -2.076 1.00 0.00 H new ATOM 904 N PRO B 85 30.993 9.398 -4.557 1.00 0.00 N ATOM 905 CA PRO B 85 31.381 8.413 -5.563 1.00 0.00 C ATOM 906 C PRO B 85 31.995 7.157 -4.952 1.00 0.00 C ATOM 907 O PRO B 85 31.975 6.979 -3.732 1.00 0.00 O ATOM 908 CB PRO B 85 32.413 9.168 -6.392 1.00 0.00 C ATOM 909 CG PRO B 85 33.082 10.064 -5.408 1.00 0.00 C ATOM 910 CD PRO B 85 32.029 10.441 -4.394 1.00 0.00 C ATOM 0 HA PRO B 85 30.527 8.049 -6.135 1.00 0.00 H new ATOM 0 HB2 PRO B 85 33.124 8.487 -6.860 1.00 0.00 H new ATOM 0 HB3 PRO B 85 31.942 9.737 -7.194 1.00 0.00 H new ATOM 0 HG2 PRO B 85 33.920 9.558 -4.929 1.00 0.00 H new ATOM 0 HG3 PRO B 85 33.484 10.950 -5.899 1.00 0.00 H new ATOM 0 HD2 PRO B 85 32.433 10.449 -3.382 1.00 0.00 H new ATOM 0 HD3 PRO B 85 31.628 11.436 -4.585 1.00 0.00 H new ATOM 918 N LEU B 86 32.515 6.293 -5.822 1.00 0.00 N ATOM 919 CA LEU B 86 33.176 5.048 -5.425 1.00 0.00 C ATOM 920 C LEU B 86 34.058 5.209 -4.182 1.00 0.00 C ATOM 921 O LEU B 86 34.770 6.203 -4.015 1.00 0.00 O ATOM 922 CB LEU B 86 33.998 4.496 -6.603 1.00 0.00 C ATOM 923 CG LEU B 86 34.575 5.537 -7.580 1.00 0.00 C ATOM 924 CD1 LEU B 86 35.623 6.418 -6.916 1.00 0.00 C ATOM 925 CD2 LEU B 86 35.164 4.842 -8.798 1.00 0.00 C ATOM 0 H LEU B 86 32.490 6.437 -6.831 1.00 0.00 H new ATOM 0 HA LEU B 86 32.393 4.339 -5.157 1.00 0.00 H new ATOM 0 HB2 LEU B 86 34.824 3.911 -6.199 1.00 0.00 H new ATOM 0 HB3 LEU B 86 33.368 3.809 -7.168 1.00 0.00 H new ATOM 0 HG LEU B 86 33.756 6.184 -7.895 1.00 0.00 H new ATOM 0 HD11 LEU B 86 36.004 7.138 -7.640 1.00 0.00 H new ATOM 0 HD12 LEU B 86 35.173 6.950 -6.077 1.00 0.00 H new ATOM 0 HD13 LEU B 86 36.443 5.798 -6.554 1.00 0.00 H new ATOM 0 HD21 LEU B 86 35.569 5.588 -9.482 1.00 0.00 H new ATOM 0 HD22 LEU B 86 35.961 4.168 -8.483 1.00 0.00 H new ATOM 0 HD23 LEU B 86 34.385 4.271 -9.303 1.00 0.00 H new ATOM 937 N GLY B 87 33.980 4.222 -3.300 1.00 0.00 N ATOM 938 CA GLY B 87 34.747 4.255 -2.075 1.00 0.00 C ATOM 939 C GLY B 87 36.032 3.468 -2.193 1.00 0.00 C ATOM 940 O GLY B 87 37.118 4.047 -2.209 1.00 0.00 O ATOM 0 H GLY B 87 33.395 3.395 -3.414 1.00 0.00 H new ATOM 0 HA2 GLY B 87 34.977 5.289 -1.818 1.00 0.00 H new ATOM 0 HA3 GLY B 87 34.147 3.850 -1.260 1.00 0.00 H new ATOM 944 N SER B 88 35.927 2.150 -2.266 1.00 0.00 N ATOM 945 CA SER B 88 37.105 1.326 -2.461 1.00 0.00 C ATOM 946 C SER B 88 37.095 0.707 -3.856 1.00 0.00 C ATOM 947 O SER B 88 38.058 0.845 -4.609 1.00 0.00 O ATOM 948 CB SER B 88 37.185 0.234 -1.389 1.00 0.00 C ATOM 949 OG SER B 88 38.425 -0.452 -1.447 1.00 0.00 O ATOM 0 H SER B 88 35.049 1.635 -2.194 1.00 0.00 H new ATOM 0 HA SER B 88 37.987 1.959 -2.369 1.00 0.00 H new ATOM 0 HB2 SER B 88 37.059 0.680 -0.402 1.00 0.00 H new ATOM 0 HB3 SER B 88 36.368 -0.474 -1.526 1.00 0.00 H new ATOM 0 HG SER B 88 38.450 -1.142 -0.751 1.00 0.00 H new ATOM 955 N ARG B 89 36.009 0.027 -4.207 1.00 0.00 N ATOM 956 CA ARG B 89 35.847 -0.465 -5.565 1.00 0.00 C ATOM 957 C ARG B 89 34.860 0.396 -6.338 1.00 0.00 C ATOM 958 O ARG B 89 35.267 1.203 -7.173 1.00 0.00 O ATOM 959 CB ARG B 89 35.406 -1.932 -5.579 1.00 0.00 C ATOM 960 CG ARG B 89 35.092 -2.489 -6.969 1.00 0.00 C ATOM 961 CD ARG B 89 36.330 -2.615 -7.855 1.00 0.00 C ATOM 962 NE ARG B 89 36.866 -1.317 -8.273 1.00 0.00 N ATOM 963 CZ ARG B 89 36.564 -0.715 -9.429 1.00 0.00 C ATOM 964 NH1 ARG B 89 35.727 -1.288 -10.290 1.00 0.00 N ATOM 965 NH2 ARG B 89 37.103 0.461 -9.724 1.00 0.00 N ATOM 0 H ARG B 89 35.238 -0.193 -3.577 1.00 0.00 H new ATOM 0 HA ARG B 89 36.818 -0.403 -6.056 1.00 0.00 H new ATOM 0 HB2 ARG B 89 36.192 -2.538 -5.128 1.00 0.00 H new ATOM 0 HB3 ARG B 89 34.521 -2.038 -4.951 1.00 0.00 H new ATOM 0 HG2 ARG B 89 34.625 -3.468 -6.865 1.00 0.00 H new ATOM 0 HG3 ARG B 89 34.366 -1.840 -7.459 1.00 0.00 H new ATOM 0 HD2 ARG B 89 37.102 -3.165 -7.316 1.00 0.00 H new ATOM 0 HD3 ARG B 89 36.080 -3.201 -8.739 1.00 0.00 H new ATOM 0 HE ARG B 89 37.511 -0.842 -7.642 1.00 0.00 H new ATOM 0 HH11 ARG B 89 35.310 -2.193 -10.071 1.00 0.00 H new ATOM 0 HH12 ARG B 89 35.502 -0.822 -11.169 1.00 0.00 H new ATOM 0 HH21 ARG B 89 37.747 0.905 -9.070 1.00 0.00 H new ATOM 0 HH22 ARG B 89 36.873 0.921 -10.605 1.00 0.00 H new ATOM 979 N ARG B 90 33.569 0.262 -6.018 1.00 0.00 N ATOM 980 CA ARG B 90 32.526 0.932 -6.789 1.00 0.00 C ATOM 981 C ARG B 90 31.126 0.536 -6.317 1.00 0.00 C ATOM 982 O ARG B 90 30.353 1.379 -5.872 1.00 0.00 O ATOM 983 CB ARG B 90 32.678 0.575 -8.271 1.00 0.00 C ATOM 984 CG ARG B 90 31.710 1.290 -9.191 1.00 0.00 C ATOM 985 CD ARG B 90 31.926 0.870 -10.633 1.00 0.00 C ATOM 986 NE ARG B 90 30.995 1.527 -11.541 1.00 0.00 N ATOM 987 CZ ARG B 90 31.039 1.401 -12.864 1.00 0.00 C ATOM 988 NH1 ARG B 90 31.970 0.644 -13.431 1.00 0.00 N ATOM 989 NH2 ARG B 90 30.147 2.028 -13.617 1.00 0.00 N ATOM 0 H ARG B 90 33.227 -0.299 -5.238 1.00 0.00 H new ATOM 0 HA ARG B 90 32.641 2.006 -6.641 1.00 0.00 H new ATOM 0 HB2 ARG B 90 33.696 0.806 -8.585 1.00 0.00 H new ATOM 0 HB3 ARG B 90 32.544 -0.500 -8.388 1.00 0.00 H new ATOM 0 HG2 ARG B 90 30.686 1.067 -8.892 1.00 0.00 H new ATOM 0 HG3 ARG B 90 31.842 2.368 -9.098 1.00 0.00 H new ATOM 0 HD2 ARG B 90 32.948 1.106 -10.929 1.00 0.00 H new ATOM 0 HD3 ARG B 90 31.811 -0.211 -10.716 1.00 0.00 H new ATOM 0 HE ARG B 90 30.267 2.118 -11.139 1.00 0.00 H new ATOM 0 HH11 ARG B 90 32.654 0.157 -12.852 1.00 0.00 H new ATOM 0 HH12 ARG B 90 32.002 0.549 -14.446 1.00 0.00 H new ATOM 0 HH21 ARG B 90 29.428 2.606 -13.182 1.00 0.00 H new ATOM 0 HH22 ARG B 90 30.179 1.933 -14.632 1.00 0.00 H new ATOM 1003 N PHE B 91 30.830 -0.759 -6.387 1.00 0.00 N ATOM 1004 CA PHE B 91 29.461 -1.262 -6.237 1.00 0.00 C ATOM 1005 C PHE B 91 28.826 -0.874 -4.904 1.00 0.00 C ATOM 1006 O PHE B 91 27.616 -0.673 -4.833 1.00 0.00 O ATOM 1007 CB PHE B 91 29.438 -2.783 -6.395 1.00 0.00 C ATOM 1008 CG PHE B 91 30.029 -3.260 -7.690 1.00 0.00 C ATOM 1009 CD1 PHE B 91 31.311 -3.781 -7.729 1.00 0.00 C ATOM 1010 CD2 PHE B 91 29.303 -3.186 -8.867 1.00 0.00 C ATOM 1011 CE1 PHE B 91 31.861 -4.215 -8.918 1.00 0.00 C ATOM 1012 CE2 PHE B 91 29.847 -3.618 -10.060 1.00 0.00 C ATOM 1013 CZ PHE B 91 31.128 -4.135 -10.086 1.00 0.00 C ATOM 0 H PHE B 91 31.525 -1.488 -6.548 1.00 0.00 H new ATOM 0 HA PHE B 91 28.869 -0.794 -7.023 1.00 0.00 H new ATOM 0 HB2 PHE B 91 29.985 -3.235 -5.567 1.00 0.00 H new ATOM 0 HB3 PHE B 91 28.408 -3.132 -6.325 1.00 0.00 H new ATOM 0 HD1 PHE B 91 31.887 -3.849 -6.818 1.00 0.00 H new ATOM 0 HD2 PHE B 91 28.300 -2.786 -8.851 1.00 0.00 H new ATOM 0 HE1 PHE B 91 32.863 -4.617 -8.935 1.00 0.00 H new ATOM 0 HE2 PHE B 91 29.272 -3.552 -10.972 1.00 0.00 H new ATOM 0 HZ PHE B 91 31.555 -4.476 -11.017 1.00 0.00 H new ATOM 1023 N VAL B 92 29.636 -0.769 -3.856 1.00 0.00 N ATOM 1024 CA VAL B 92 29.127 -0.431 -2.527 1.00 0.00 C ATOM 1025 C VAL B 92 28.378 0.905 -2.531 1.00 0.00 C ATOM 1026 O VAL B 92 27.312 1.034 -1.922 1.00 0.00 O ATOM 1027 CB VAL B 92 30.264 -0.385 -1.478 1.00 0.00 C ATOM 1028 CG1 VAL B 92 29.754 0.123 -0.137 1.00 0.00 C ATOM 1029 CG2 VAL B 92 30.889 -1.762 -1.313 1.00 0.00 C ATOM 0 H VAL B 92 30.645 -0.912 -3.898 1.00 0.00 H new ATOM 0 HA VAL B 92 28.428 -1.221 -2.252 1.00 0.00 H new ATOM 0 HB VAL B 92 31.024 0.309 -1.838 1.00 0.00 H new ATOM 0 HG11 VAL B 92 30.575 0.144 0.580 1.00 0.00 H new ATOM 0 HG12 VAL B 92 29.352 1.129 -0.258 1.00 0.00 H new ATOM 0 HG13 VAL B 92 28.970 -0.540 0.229 1.00 0.00 H new ATOM 0 HG21 VAL B 92 31.687 -1.713 -0.572 1.00 0.00 H new ATOM 0 HG22 VAL B 92 30.129 -2.469 -0.981 1.00 0.00 H new ATOM 0 HG23 VAL B 92 31.300 -2.092 -2.267 1.00 0.00 H new ATOM 1039 N VAL B 93 28.915 1.895 -3.231 1.00 0.00 N ATOM 1040 CA VAL B 93 28.272 3.198 -3.277 1.00 0.00 C ATOM 1041 C VAL B 93 27.128 3.189 -4.281 1.00 0.00 C ATOM 1042 O VAL B 93 26.207 4.006 -4.192 1.00 0.00 O ATOM 1043 CB VAL B 93 29.258 4.338 -3.612 1.00 0.00 C ATOM 1044 CG1 VAL B 93 30.414 4.344 -2.626 1.00 0.00 C ATOM 1045 CG2 VAL B 93 29.765 4.232 -5.042 1.00 0.00 C ATOM 0 H VAL B 93 29.780 1.822 -3.766 1.00 0.00 H new ATOM 0 HA VAL B 93 27.882 3.392 -2.278 1.00 0.00 H new ATOM 0 HB VAL B 93 28.722 5.283 -3.525 1.00 0.00 H new ATOM 0 HG11 VAL B 93 31.101 5.153 -2.875 1.00 0.00 H new ATOM 0 HG12 VAL B 93 30.030 4.492 -1.616 1.00 0.00 H new ATOM 0 HG13 VAL B 93 30.942 3.392 -2.678 1.00 0.00 H new ATOM 0 HG21 VAL B 93 30.457 5.050 -5.244 1.00 0.00 H new ATOM 0 HG22 VAL B 93 30.279 3.280 -5.176 1.00 0.00 H new ATOM 0 HG23 VAL B 93 28.923 4.290 -5.732 1.00 0.00 H new ATOM 1055 N ASP B 94 27.177 2.248 -5.224 1.00 0.00 N ATOM 1056 CA ASP B 94 26.116 2.089 -6.189 1.00 0.00 C ATOM 1057 C ASP B 94 24.860 1.589 -5.509 1.00 0.00 C ATOM 1058 O ASP B 94 23.836 2.257 -5.542 1.00 0.00 O ATOM 1059 CB ASP B 94 26.519 1.121 -7.295 1.00 0.00 C ATOM 1060 CG ASP B 94 27.383 1.761 -8.363 1.00 0.00 C ATOM 1061 OD1 ASP B 94 26.845 2.519 -9.199 1.00 0.00 O ATOM 1062 OD2 ASP B 94 28.603 1.507 -8.387 1.00 0.00 O ATOM 0 H ASP B 94 27.947 1.588 -5.331 1.00 0.00 H new ATOM 0 HA ASP B 94 25.923 3.064 -6.636 1.00 0.00 H new ATOM 0 HB2 ASP B 94 27.058 0.282 -6.856 1.00 0.00 H new ATOM 0 HB3 ASP B 94 25.620 0.715 -7.759 1.00 0.00 H new ATOM 1067 N ASP B 95 24.948 0.437 -4.840 1.00 0.00 N ATOM 1068 CA ASP B 95 23.774 -0.139 -4.181 1.00 0.00 C ATOM 1069 C ASP B 95 23.297 0.765 -3.054 1.00 0.00 C ATOM 1070 O ASP B 95 22.212 0.584 -2.516 1.00 0.00 O ATOM 1071 CB ASP B 95 24.035 -1.559 -3.647 1.00 0.00 C ATOM 1072 CG ASP B 95 24.934 -1.606 -2.423 1.00 0.00 C ATOM 1073 OD1 ASP B 95 26.148 -1.849 -2.574 1.00 0.00 O ATOM 1074 OD2 ASP B 95 24.422 -1.436 -1.296 1.00 0.00 O ATOM 0 H ASP B 95 25.805 -0.108 -4.741 1.00 0.00 H new ATOM 0 HA ASP B 95 22.993 -0.216 -4.938 1.00 0.00 H new ATOM 0 HB2 ASP B 95 23.080 -2.024 -3.401 1.00 0.00 H new ATOM 0 HB3 ASP B 95 24.486 -2.156 -4.439 1.00 0.00 H new ATOM 1079 N ARG B 96 24.101 1.754 -2.714 1.00 0.00 N ATOM 1080 CA ARG B 96 23.694 2.751 -1.742 1.00 0.00 C ATOM 1081 C ARG B 96 22.829 3.799 -2.428 1.00 0.00 C ATOM 1082 O ARG B 96 21.623 3.867 -2.208 1.00 0.00 O ATOM 1083 CB ARG B 96 24.909 3.426 -1.100 1.00 0.00 C ATOM 1084 CG ARG B 96 24.535 4.500 -0.090 1.00 0.00 C ATOM 1085 CD ARG B 96 25.757 5.232 0.438 1.00 0.00 C ATOM 1086 NE ARG B 96 26.441 6.003 -0.603 1.00 0.00 N ATOM 1087 CZ ARG B 96 27.312 6.981 -0.346 1.00 0.00 C ATOM 1088 NH1 ARG B 96 27.550 7.354 0.904 1.00 0.00 N ATOM 1089 NH2 ARG B 96 27.922 7.611 -1.341 1.00 0.00 N ATOM 0 H ARG B 96 25.037 1.889 -3.095 1.00 0.00 H new ATOM 0 HA ARG B 96 23.126 2.255 -0.955 1.00 0.00 H new ATOM 0 HB2 ARG B 96 25.518 2.669 -0.606 1.00 0.00 H new ATOM 0 HB3 ARG B 96 25.525 3.871 -1.882 1.00 0.00 H new ATOM 0 HG2 ARG B 96 23.856 5.215 -0.555 1.00 0.00 H new ATOM 0 HG3 ARG B 96 23.997 4.045 0.742 1.00 0.00 H new ATOM 0 HD2 ARG B 96 25.456 5.902 1.243 1.00 0.00 H new ATOM 0 HD3 ARG B 96 26.452 4.510 0.867 1.00 0.00 H new ATOM 0 HE ARG B 96 26.241 5.780 -1.578 1.00 0.00 H new ATOM 0 HH11 ARG B 96 27.066 6.893 1.675 1.00 0.00 H new ATOM 0 HH12 ARG B 96 28.217 8.102 1.095 1.00 0.00 H new ATOM 0 HH21 ARG B 96 27.726 7.349 -2.307 1.00 0.00 H new ATOM 0 HH22 ARG B 96 28.587 8.358 -1.140 1.00 0.00 H new ATOM 1103 N ARG B 97 23.460 4.570 -3.306 1.00 0.00 N ATOM 1104 CA ARG B 97 22.818 5.698 -3.972 1.00 0.00 C ATOM 1105 C ARG B 97 21.709 5.241 -4.921 1.00 0.00 C ATOM 1106 O ARG B 97 20.692 5.916 -5.070 1.00 0.00 O ATOM 1107 CB ARG B 97 23.897 6.511 -4.703 1.00 0.00 C ATOM 1108 CG ARG B 97 23.409 7.357 -5.870 1.00 0.00 C ATOM 1109 CD ARG B 97 23.742 6.690 -7.197 1.00 0.00 C ATOM 1110 NE ARG B 97 25.154 6.310 -7.266 1.00 0.00 N ATOM 1111 CZ ARG B 97 25.642 5.393 -8.097 1.00 0.00 C ATOM 1112 NH1 ARG B 97 24.870 4.860 -9.032 1.00 0.00 N ATOM 1113 NH2 ARG B 97 26.914 5.034 -8.015 1.00 0.00 N ATOM 0 H ARG B 97 24.433 4.431 -3.577 1.00 0.00 H new ATOM 0 HA ARG B 97 22.332 6.329 -3.228 1.00 0.00 H new ATOM 0 HB2 ARG B 97 24.383 7.167 -3.981 1.00 0.00 H new ATOM 0 HB3 ARG B 97 24.658 5.822 -5.071 1.00 0.00 H new ATOM 0 HG2 ARG B 97 22.332 7.505 -5.792 1.00 0.00 H new ATOM 0 HG3 ARG B 97 23.870 8.344 -5.828 1.00 0.00 H new ATOM 0 HD2 ARG B 97 23.119 5.805 -7.327 1.00 0.00 H new ATOM 0 HD3 ARG B 97 23.506 7.369 -8.016 1.00 0.00 H new ATOM 0 HE ARG B 97 25.806 6.778 -6.636 1.00 0.00 H new ATOM 0 HH11 ARG B 97 23.897 5.152 -9.117 1.00 0.00 H new ATOM 0 HH12 ARG B 97 25.249 4.157 -9.667 1.00 0.00 H new ATOM 0 HH21 ARG B 97 27.520 5.461 -7.314 1.00 0.00 H new ATOM 0 HH22 ARG B 97 27.288 4.331 -8.652 1.00 0.00 H new ATOM 1127 N GLU B 98 21.902 4.088 -5.541 1.00 0.00 N ATOM 1128 CA GLU B 98 20.932 3.550 -6.484 1.00 0.00 C ATOM 1129 C GLU B 98 19.719 2.960 -5.770 1.00 0.00 C ATOM 1130 O GLU B 98 18.575 3.196 -6.166 1.00 0.00 O ATOM 1131 CB GLU B 98 21.595 2.495 -7.366 1.00 0.00 C ATOM 1132 CG GLU B 98 22.347 3.090 -8.539 1.00 0.00 C ATOM 1133 CD GLU B 98 21.438 3.804 -9.517 1.00 0.00 C ATOM 1134 OE1 GLU B 98 21.129 4.994 -9.294 1.00 0.00 O ATOM 1135 OE2 GLU B 98 21.039 3.187 -10.523 1.00 0.00 O ATOM 0 H GLU B 98 22.727 3.503 -5.408 1.00 0.00 H new ATOM 0 HA GLU B 98 20.578 4.371 -7.107 1.00 0.00 H new ATOM 0 HB2 GLU B 98 22.284 1.905 -6.762 1.00 0.00 H new ATOM 0 HB3 GLU B 98 20.833 1.811 -7.740 1.00 0.00 H new ATOM 0 HG2 GLU B 98 23.095 3.790 -8.168 1.00 0.00 H new ATOM 0 HG3 GLU B 98 22.883 2.297 -9.061 1.00 0.00 H new ATOM 1142 N LEU B 99 19.962 2.198 -4.712 1.00 0.00 N ATOM 1143 CA LEU B 99 18.877 1.553 -3.986 1.00 0.00 C ATOM 1144 C LEU B 99 18.090 2.579 -3.178 1.00 0.00 C ATOM 1145 O LEU B 99 16.862 2.558 -3.181 1.00 0.00 O ATOM 1146 CB LEU B 99 19.428 0.428 -3.096 1.00 0.00 C ATOM 1147 CG LEU B 99 18.416 -0.392 -2.280 1.00 0.00 C ATOM 1148 CD1 LEU B 99 18.126 0.283 -0.953 1.00 0.00 C ATOM 1149 CD2 LEU B 99 17.127 -0.616 -3.059 1.00 0.00 C ATOM 0 H LEU B 99 20.893 2.012 -4.340 1.00 0.00 H new ATOM 0 HA LEU B 99 18.188 1.103 -4.701 1.00 0.00 H new ATOM 0 HB2 LEU B 99 19.985 -0.261 -3.731 1.00 0.00 H new ATOM 0 HB3 LEU B 99 20.142 0.869 -2.401 1.00 0.00 H new ATOM 0 HG LEU B 99 18.861 -1.367 -2.083 1.00 0.00 H new ATOM 0 HD11 LEU B 99 17.407 -0.313 -0.391 1.00 0.00 H new ATOM 0 HD12 LEU B 99 19.049 0.373 -0.381 1.00 0.00 H new ATOM 0 HD13 LEU B 99 17.712 1.275 -1.132 1.00 0.00 H new ATOM 0 HD21 LEU B 99 16.433 -1.199 -2.454 1.00 0.00 H new ATOM 0 HD22 LEU B 99 16.677 0.346 -3.302 1.00 0.00 H new ATOM 0 HD23 LEU B 99 17.348 -1.156 -3.980 1.00 0.00 H new ATOM 1161 N GLN B 100 18.785 3.498 -2.513 1.00 0.00 N ATOM 1162 CA GLN B 100 18.110 4.506 -1.706 1.00 0.00 C ATOM 1163 C GLN B 100 17.254 5.396 -2.599 1.00 0.00 C ATOM 1164 O GLN B 100 16.214 5.898 -2.180 1.00 0.00 O ATOM 1165 CB GLN B 100 19.118 5.361 -0.936 1.00 0.00 C ATOM 1166 CG GLN B 100 19.910 6.315 -1.814 1.00 0.00 C ATOM 1167 CD GLN B 100 20.850 7.199 -1.024 1.00 0.00 C ATOM 1168 OE1 GLN B 100 21.348 6.811 0.031 1.00 0.00 O ATOM 1169 NE2 GLN B 100 21.101 8.394 -1.531 1.00 0.00 N ATOM 0 H GLN B 100 19.803 3.565 -2.517 1.00 0.00 H new ATOM 0 HA GLN B 100 17.474 3.994 -0.984 1.00 0.00 H new ATOM 0 HB2 GLN B 100 18.588 5.936 -0.177 1.00 0.00 H new ATOM 0 HB3 GLN B 100 19.812 4.704 -0.411 1.00 0.00 H new ATOM 0 HG2 GLN B 100 20.484 5.740 -2.540 1.00 0.00 H new ATOM 0 HG3 GLN B 100 19.218 6.941 -2.378 1.00 0.00 H new ATOM 0 HE21 GLN B 100 20.667 8.677 -2.410 1.00 0.00 H new ATOM 0 HE22 GLN B 100 21.729 9.033 -1.044 1.00 0.00 H new ATOM 1178 N TYR B 101 17.696 5.560 -3.841 1.00 0.00 N ATOM 1179 CA TYR B 101 16.995 6.402 -4.798 1.00 0.00 C ATOM 1180 C TYR B 101 15.570 5.909 -5.016 1.00 0.00 C ATOM 1181 O TYR B 101 14.634 6.703 -5.024 1.00 0.00 O ATOM 1182 CB TYR B 101 17.742 6.460 -6.131 1.00 0.00 C ATOM 1183 CG TYR B 101 17.165 7.477 -7.089 1.00 0.00 C ATOM 1184 CD1 TYR B 101 16.393 7.083 -8.175 1.00 0.00 C ATOM 1185 CD2 TYR B 101 17.383 8.834 -6.896 1.00 0.00 C ATOM 1186 CE1 TYR B 101 15.856 8.017 -9.041 1.00 0.00 C ATOM 1187 CE2 TYR B 101 16.852 9.772 -7.757 1.00 0.00 C ATOM 1188 CZ TYR B 101 16.089 9.360 -8.827 1.00 0.00 C ATOM 1189 OH TYR B 101 15.553 10.295 -9.682 1.00 0.00 O ATOM 0 H TYR B 101 18.539 5.119 -4.208 1.00 0.00 H new ATOM 0 HA TYR B 101 16.954 7.409 -4.382 1.00 0.00 H new ATOM 0 HB2 TYR B 101 18.789 6.699 -5.944 1.00 0.00 H new ATOM 0 HB3 TYR B 101 17.718 5.475 -6.598 1.00 0.00 H new ATOM 0 HD1 TYR B 101 16.210 6.032 -8.345 1.00 0.00 H new ATOM 0 HD2 TYR B 101 17.979 9.161 -6.057 1.00 0.00 H new ATOM 0 HE1 TYR B 101 15.257 7.697 -9.881 1.00 0.00 H new ATOM 0 HE2 TYR B 101 17.034 10.824 -7.593 1.00 0.00 H new ATOM 0 HH TYR B 101 15.812 11.193 -9.388 1.00 0.00 H new ATOM 1199 N ARG B 102 15.400 4.596 -5.171 1.00 0.00 N ATOM 1200 CA ARG B 102 14.068 4.037 -5.384 1.00 0.00 C ATOM 1201 C ARG B 102 13.231 4.152 -4.114 1.00 0.00 C ATOM 1202 O ARG B 102 12.005 4.135 -4.164 1.00 0.00 O ATOM 1203 CB ARG B 102 14.133 2.581 -5.890 1.00 0.00 C ATOM 1204 CG ARG B 102 14.650 1.550 -4.889 1.00 0.00 C ATOM 1205 CD ARG B 102 13.556 1.057 -3.947 1.00 0.00 C ATOM 1206 NE ARG B 102 12.434 0.455 -4.669 1.00 0.00 N ATOM 1207 CZ ARG B 102 11.365 -0.085 -4.079 1.00 0.00 C ATOM 1208 NH1 ARG B 102 11.265 -0.105 -2.755 1.00 0.00 N ATOM 1209 NH2 ARG B 102 10.394 -0.607 -4.814 1.00 0.00 N ATOM 0 H ARG B 102 16.155 3.910 -5.153 1.00 0.00 H new ATOM 0 HA ARG B 102 13.581 4.620 -6.165 1.00 0.00 H new ATOM 0 HB2 ARG B 102 13.134 2.282 -6.207 1.00 0.00 H new ATOM 0 HB3 ARG B 102 14.770 2.552 -6.774 1.00 0.00 H new ATOM 0 HG2 ARG B 102 15.070 0.702 -5.429 1.00 0.00 H new ATOM 0 HG3 ARG B 102 15.459 1.988 -4.305 1.00 0.00 H new ATOM 0 HD2 ARG B 102 13.976 0.325 -3.257 1.00 0.00 H new ATOM 0 HD3 ARG B 102 13.193 1.891 -3.346 1.00 0.00 H new ATOM 0 HE ARG B 102 12.471 0.448 -5.688 1.00 0.00 H new ATOM 0 HH11 ARG B 102 12.008 0.294 -2.181 1.00 0.00 H new ATOM 0 HH12 ARG B 102 10.445 -0.519 -2.312 1.00 0.00 H new ATOM 0 HH21 ARG B 102 10.463 -0.597 -5.832 1.00 0.00 H new ATOM 0 HH22 ARG B 102 9.578 -1.019 -4.362 1.00 0.00 H new ATOM 1223 N VAL B 103 13.898 4.286 -2.979 1.00 0.00 N ATOM 1224 CA VAL B 103 13.208 4.427 -1.708 1.00 0.00 C ATOM 1225 C VAL B 103 12.646 5.844 -1.573 1.00 0.00 C ATOM 1226 O VAL B 103 11.498 6.029 -1.175 1.00 0.00 O ATOM 1227 CB VAL B 103 14.143 4.107 -0.518 1.00 0.00 C ATOM 1228 CG1 VAL B 103 13.354 3.951 0.769 1.00 0.00 C ATOM 1229 CG2 VAL B 103 14.953 2.848 -0.785 1.00 0.00 C ATOM 0 H VAL B 103 14.916 4.300 -2.912 1.00 0.00 H new ATOM 0 HA VAL B 103 12.387 3.710 -1.688 1.00 0.00 H new ATOM 0 HB VAL B 103 14.829 4.946 -0.406 1.00 0.00 H new ATOM 0 HG11 VAL B 103 14.036 3.726 1.589 1.00 0.00 H new ATOM 0 HG12 VAL B 103 12.821 4.877 0.984 1.00 0.00 H new ATOM 0 HG13 VAL B 103 12.637 3.137 0.660 1.00 0.00 H new ATOM 0 HG21 VAL B 103 15.602 2.645 0.067 1.00 0.00 H new ATOM 0 HG22 VAL B 103 14.278 2.006 -0.935 1.00 0.00 H new ATOM 0 HG23 VAL B 103 15.561 2.989 -1.679 1.00 0.00 H new ATOM 1239 N GLU B 104 13.445 6.845 -1.925 1.00 0.00 N ATOM 1240 CA GLU B 104 12.987 8.230 -1.862 1.00 0.00 C ATOM 1241 C GLU B 104 11.931 8.556 -2.920 1.00 0.00 C ATOM 1242 O GLU B 104 11.069 9.396 -2.671 1.00 0.00 O ATOM 1243 CB GLU B 104 14.146 9.223 -1.934 1.00 0.00 C ATOM 1244 CG GLU B 104 15.204 8.867 -2.948 1.00 0.00 C ATOM 1245 CD GLU B 104 16.244 9.951 -3.095 1.00 0.00 C ATOM 1246 OE1 GLU B 104 17.428 9.690 -2.814 1.00 0.00 O ATOM 1247 OE2 GLU B 104 15.876 11.086 -3.468 1.00 0.00 O ATOM 0 H GLU B 104 14.403 6.727 -2.254 1.00 0.00 H new ATOM 0 HA GLU B 104 12.511 8.337 -0.887 1.00 0.00 H new ATOM 0 HB2 GLU B 104 13.749 10.210 -2.171 1.00 0.00 H new ATOM 0 HB3 GLU B 104 14.611 9.294 -0.951 1.00 0.00 H new ATOM 0 HG2 GLU B 104 15.690 7.938 -2.651 1.00 0.00 H new ATOM 0 HG3 GLU B 104 14.732 8.686 -3.914 1.00 0.00 H new ATOM 1254 N VAL B 105 11.971 7.917 -4.091 1.00 0.00 N ATOM 1255 CA VAL B 105 10.877 8.100 -5.044 1.00 0.00 C ATOM 1256 C VAL B 105 9.600 7.511 -4.467 1.00 0.00 C ATOM 1257 O VAL B 105 8.552 8.132 -4.532 1.00 0.00 O ATOM 1258 CB VAL B 105 11.160 7.529 -6.464 1.00 0.00 C ATOM 1259 CG1 VAL B 105 12.058 6.319 -6.418 1.00 0.00 C ATOM 1260 CG2 VAL B 105 9.876 7.167 -7.186 1.00 0.00 C ATOM 0 H VAL B 105 12.718 7.292 -4.394 1.00 0.00 H new ATOM 0 HA VAL B 105 10.767 9.175 -5.189 1.00 0.00 H new ATOM 0 HB VAL B 105 11.668 8.322 -7.013 1.00 0.00 H new ATOM 0 HG11 VAL B 105 12.229 5.954 -7.431 1.00 0.00 H new ATOM 0 HG12 VAL B 105 13.011 6.590 -5.965 1.00 0.00 H new ATOM 0 HG13 VAL B 105 11.584 5.537 -5.825 1.00 0.00 H new ATOM 0 HG21 VAL B 105 10.113 6.772 -8.174 1.00 0.00 H new ATOM 0 HG22 VAL B 105 9.337 6.413 -6.613 1.00 0.00 H new ATOM 0 HG23 VAL B 105 9.254 8.056 -7.291 1.00 0.00 H new ATOM 1270 N GLN B 106 9.703 6.337 -3.856 1.00 0.00 N ATOM 1271 CA GLN B 106 8.563 5.747 -3.163 1.00 0.00 C ATOM 1272 C GLN B 106 8.052 6.701 -2.081 1.00 0.00 C ATOM 1273 O GLN B 106 6.849 6.884 -1.914 1.00 0.00 O ATOM 1274 CB GLN B 106 8.955 4.400 -2.548 1.00 0.00 C ATOM 1275 CG GLN B 106 9.173 3.296 -3.567 1.00 0.00 C ATOM 1276 CD GLN B 106 7.913 2.953 -4.336 1.00 0.00 C ATOM 1277 OE1 GLN B 106 7.138 2.087 -3.927 1.00 0.00 O ATOM 1278 NE2 GLN B 106 7.701 3.626 -5.457 1.00 0.00 N ATOM 0 H GLN B 106 10.556 5.778 -3.826 1.00 0.00 H new ATOM 0 HA GLN B 106 7.763 5.578 -3.884 1.00 0.00 H new ATOM 0 HB2 GLN B 106 9.868 4.529 -1.967 1.00 0.00 H new ATOM 0 HB3 GLN B 106 8.176 4.089 -1.852 1.00 0.00 H new ATOM 0 HG2 GLN B 106 9.950 3.602 -4.268 1.00 0.00 H new ATOM 0 HG3 GLN B 106 9.537 2.404 -3.058 1.00 0.00 H new ATOM 0 HE21 GLN B 106 8.368 4.335 -5.760 1.00 0.00 H new ATOM 0 HE22 GLN B 106 6.870 3.435 -6.017 1.00 0.00 H new ATOM 1287 N ASN B 107 8.990 7.323 -1.377 1.00 0.00 N ATOM 1288 CA ASN B 107 8.679 8.312 -0.344 1.00 0.00 C ATOM 1289 C ASN B 107 7.908 9.500 -0.929 1.00 0.00 C ATOM 1290 O ASN B 107 6.982 10.019 -0.313 1.00 0.00 O ATOM 1291 CB ASN B 107 9.982 8.797 0.300 1.00 0.00 C ATOM 1292 CG ASN B 107 9.764 9.831 1.386 1.00 0.00 C ATOM 1293 OD1 ASN B 107 8.732 9.846 2.057 1.00 0.00 O ATOM 1294 ND2 ASN B 107 10.745 10.699 1.571 1.00 0.00 N ATOM 0 H ASN B 107 9.989 7.158 -1.504 1.00 0.00 H new ATOM 0 HA ASN B 107 8.047 7.842 0.410 1.00 0.00 H new ATOM 0 HB2 ASN B 107 10.511 7.942 0.722 1.00 0.00 H new ATOM 0 HB3 ASN B 107 10.625 9.220 -0.472 1.00 0.00 H new ATOM 0 HD21 ASN B 107 10.663 11.416 2.292 1.00 0.00 H new ATOM 0 HD22 ASN B 107 11.584 10.651 0.993 1.00 0.00 H new ATOM 1301 N ARG B 108 8.292 9.920 -2.124 1.00 0.00 N ATOM 1302 CA ARG B 108 7.664 11.064 -2.772 1.00 0.00 C ATOM 1303 C ARG B 108 6.341 10.680 -3.428 1.00 0.00 C ATOM 1304 O ARG B 108 5.333 11.360 -3.252 1.00 0.00 O ATOM 1305 CB ARG B 108 8.608 11.658 -3.810 1.00 0.00 C ATOM 1306 CG ARG B 108 9.856 12.282 -3.206 1.00 0.00 C ATOM 1307 CD ARG B 108 10.726 12.933 -4.268 1.00 0.00 C ATOM 1308 NE ARG B 108 10.070 14.090 -4.877 1.00 0.00 N ATOM 1309 CZ ARG B 108 10.368 14.564 -6.087 1.00 0.00 C ATOM 1310 NH1 ARG B 108 11.279 13.956 -6.837 1.00 0.00 N ATOM 1311 NH2 ARG B 108 9.748 15.642 -6.550 1.00 0.00 N ATOM 0 H ARG B 108 9.038 9.485 -2.667 1.00 0.00 H new ATOM 0 HA ARG B 108 7.453 11.809 -2.005 1.00 0.00 H new ATOM 0 HB2 ARG B 108 8.904 10.877 -4.510 1.00 0.00 H new ATOM 0 HB3 ARG B 108 8.074 12.415 -4.384 1.00 0.00 H new ATOM 0 HG2 ARG B 108 9.568 13.027 -2.464 1.00 0.00 H new ATOM 0 HG3 ARG B 108 10.430 11.517 -2.684 1.00 0.00 H new ATOM 0 HD2 ARG B 108 11.671 13.244 -3.822 1.00 0.00 H new ATOM 0 HD3 ARG B 108 10.964 12.202 -5.041 1.00 0.00 H new ATOM 0 HE ARG B 108 9.340 14.563 -4.344 1.00 0.00 H new ATOM 0 HH11 ARG B 108 11.754 13.123 -6.488 1.00 0.00 H new ATOM 0 HH12 ARG B 108 11.504 14.322 -7.762 1.00 0.00 H new ATOM 0 HH21 ARG B 108 9.043 16.109 -5.980 1.00 0.00 H new ATOM 0 HH22 ARG B 108 9.977 16.004 -7.476 1.00 0.00 H new ATOM 1325 N VAL B 109 6.361 9.593 -4.186 1.00 0.00 N ATOM 1326 CA VAL B 109 5.177 9.094 -4.881 1.00 0.00 C ATOM 1327 C VAL B 109 4.013 8.889 -3.924 1.00 0.00 C ATOM 1328 O VAL B 109 2.921 9.410 -4.140 1.00 0.00 O ATOM 1329 CB VAL B 109 5.467 7.765 -5.607 1.00 0.00 C ATOM 1330 CG1 VAL B 109 4.192 7.170 -6.194 1.00 0.00 C ATOM 1331 CG2 VAL B 109 6.511 7.979 -6.690 1.00 0.00 C ATOM 0 H VAL B 109 7.198 9.030 -4.338 1.00 0.00 H new ATOM 0 HA VAL B 109 4.907 9.853 -5.615 1.00 0.00 H new ATOM 0 HB VAL B 109 5.858 7.054 -4.879 1.00 0.00 H new ATOM 0 HG11 VAL B 109 4.427 6.234 -6.700 1.00 0.00 H new ATOM 0 HG12 VAL B 109 3.477 6.981 -5.394 1.00 0.00 H new ATOM 0 HG13 VAL B 109 3.759 7.870 -6.909 1.00 0.00 H new ATOM 0 HG21 VAL B 109 6.709 7.034 -7.197 1.00 0.00 H new ATOM 0 HG22 VAL B 109 6.142 8.708 -7.412 1.00 0.00 H new ATOM 0 HG23 VAL B 109 7.432 8.349 -6.239 1.00 0.00 H new ATOM 1341 N TYR B 110 4.262 8.143 -2.861 1.00 0.00 N ATOM 1342 CA TYR B 110 3.227 7.840 -1.884 1.00 0.00 C ATOM 1343 C TYR B 110 2.765 9.117 -1.184 1.00 0.00 C ATOM 1344 O TYR B 110 1.634 9.208 -0.707 1.00 0.00 O ATOM 1345 CB TYR B 110 3.742 6.832 -0.855 1.00 0.00 C ATOM 1346 CG TYR B 110 3.959 5.425 -1.381 1.00 0.00 C ATOM 1347 CD1 TYR B 110 3.709 4.329 -0.567 1.00 0.00 C ATOM 1348 CD2 TYR B 110 4.421 5.191 -2.669 1.00 0.00 C ATOM 1349 CE1 TYR B 110 3.917 3.041 -1.019 1.00 0.00 C ATOM 1350 CE2 TYR B 110 4.627 3.909 -3.130 1.00 0.00 C ATOM 1351 CZ TYR B 110 4.375 2.837 -2.302 1.00 0.00 C ATOM 1352 OH TYR B 110 4.593 1.556 -2.761 1.00 0.00 O ATOM 0 H TYR B 110 5.173 7.735 -2.651 1.00 0.00 H new ATOM 0 HA TYR B 110 2.378 7.401 -2.407 1.00 0.00 H new ATOM 0 HB2 TYR B 110 4.684 7.200 -0.449 1.00 0.00 H new ATOM 0 HB3 TYR B 110 3.034 6.788 -0.027 1.00 0.00 H new ATOM 0 HD1 TYR B 110 3.345 4.486 0.438 1.00 0.00 H new ATOM 0 HD2 TYR B 110 4.622 6.028 -3.321 1.00 0.00 H new ATOM 0 HE1 TYR B 110 3.722 2.199 -0.371 1.00 0.00 H new ATOM 0 HE2 TYR B 110 4.984 3.745 -4.136 1.00 0.00 H new ATOM 0 HH TYR B 110 5.459 1.515 -3.218 1.00 0.00 H new ATOM 1362 N LYS B 111 3.650 10.104 -1.133 1.00 0.00 N ATOM 1363 CA LYS B 111 3.331 11.393 -0.541 1.00 0.00 C ATOM 1364 C LYS B 111 2.357 12.138 -1.447 1.00 0.00 C ATOM 1365 O LYS B 111 1.392 12.741 -0.978 1.00 0.00 O ATOM 1366 CB LYS B 111 4.624 12.197 -0.327 1.00 0.00 C ATOM 1367 CG LYS B 111 4.499 13.387 0.619 1.00 0.00 C ATOM 1368 CD LYS B 111 3.843 14.585 -0.046 1.00 0.00 C ATOM 1369 CE LYS B 111 3.901 15.814 0.844 1.00 0.00 C ATOM 1370 NZ LYS B 111 5.300 16.231 1.114 1.00 0.00 N ATOM 0 H LYS B 111 4.600 10.034 -1.498 1.00 0.00 H new ATOM 0 HA LYS B 111 2.856 11.252 0.430 1.00 0.00 H new ATOM 0 HB2 LYS B 111 5.391 11.525 0.059 1.00 0.00 H new ATOM 0 HB3 LYS B 111 4.973 12.557 -1.295 1.00 0.00 H new ATOM 0 HG2 LYS B 111 3.916 13.095 1.492 1.00 0.00 H new ATOM 0 HG3 LYS B 111 5.489 13.670 0.977 1.00 0.00 H new ATOM 0 HD2 LYS B 111 4.341 14.796 -0.992 1.00 0.00 H new ATOM 0 HD3 LYS B 111 2.804 14.351 -0.278 1.00 0.00 H new ATOM 0 HE2 LYS B 111 3.362 16.634 0.368 1.00 0.00 H new ATOM 0 HE3 LYS B 111 3.395 15.605 1.787 1.00 0.00 H new ATOM 0 HZ1 LYS B 111 5.311 17.220 1.436 1.00 0.00 H new ATOM 0 HZ2 LYS B 111 5.708 15.622 1.852 1.00 0.00 H new ATOM 0 HZ3 LYS B 111 5.862 16.144 0.243 1.00 0.00 H new ATOM 1384 N LYS B 112 2.610 12.065 -2.750 1.00 0.00 N ATOM 1385 CA LYS B 112 1.729 12.663 -3.750 1.00 0.00 C ATOM 1386 C LYS B 112 0.334 12.059 -3.646 1.00 0.00 C ATOM 1387 O LYS B 112 -0.669 12.756 -3.800 1.00 0.00 O ATOM 1388 CB LYS B 112 2.282 12.439 -5.159 1.00 0.00 C ATOM 1389 CG LYS B 112 3.667 13.024 -5.379 1.00 0.00 C ATOM 1390 CD LYS B 112 4.382 12.373 -6.560 1.00 0.00 C ATOM 1391 CE LYS B 112 3.825 12.802 -7.910 1.00 0.00 C ATOM 1392 NZ LYS B 112 2.477 12.239 -8.191 1.00 0.00 N ATOM 0 H LYS B 112 3.425 11.593 -3.142 1.00 0.00 H new ATOM 0 HA LYS B 112 1.674 13.735 -3.561 1.00 0.00 H new ATOM 0 HB2 LYS B 112 2.315 11.368 -5.359 1.00 0.00 H new ATOM 0 HB3 LYS B 112 1.594 12.878 -5.882 1.00 0.00 H new ATOM 0 HG2 LYS B 112 3.584 14.097 -5.552 1.00 0.00 H new ATOM 0 HG3 LYS B 112 4.264 12.892 -4.476 1.00 0.00 H new ATOM 0 HD2 LYS B 112 5.442 12.622 -6.516 1.00 0.00 H new ATOM 0 HD3 LYS B 112 4.305 11.289 -6.470 1.00 0.00 H new ATOM 0 HE2 LYS B 112 3.772 13.890 -7.945 1.00 0.00 H new ATOM 0 HE3 LYS B 112 4.513 12.491 -8.696 1.00 0.00 H new ATOM 0 HZ1 LYS B 112 2.415 11.971 -9.194 1.00 0.00 H new ATOM 0 HZ2 LYS B 112 2.321 11.399 -7.598 1.00 0.00 H new ATOM 0 HZ3 LYS B 112 1.751 12.953 -7.978 1.00 0.00 H new ATOM 1406 N GLU B 113 0.288 10.755 -3.377 1.00 0.00 N ATOM 1407 CA GLU B 113 -0.973 10.056 -3.166 1.00 0.00 C ATOM 1408 C GLU B 113 -1.759 10.726 -2.049 1.00 0.00 C ATOM 1409 O GLU B 113 -2.927 11.065 -2.214 1.00 0.00 O ATOM 1410 CB GLU B 113 -0.725 8.592 -2.811 1.00 0.00 C ATOM 1411 CG GLU B 113 0.161 7.870 -3.810 1.00 0.00 C ATOM 1412 CD GLU B 113 -0.409 7.872 -5.215 1.00 0.00 C ATOM 1413 OE1 GLU B 113 -0.103 8.798 -5.990 1.00 0.00 O ATOM 1414 OE2 GLU B 113 -1.166 6.941 -5.553 1.00 0.00 O ATOM 0 H GLU B 113 1.114 10.162 -3.300 1.00 0.00 H new ATOM 0 HA GLU B 113 -1.548 10.100 -4.091 1.00 0.00 H new ATOM 0 HB2 GLU B 113 -0.265 8.538 -1.824 1.00 0.00 H new ATOM 0 HB3 GLU B 113 -1.682 8.075 -2.746 1.00 0.00 H new ATOM 0 HG2 GLU B 113 1.144 8.340 -3.822 1.00 0.00 H new ATOM 0 HG3 GLU B 113 0.304 6.840 -3.483 1.00 0.00 H new ATOM 1421 N ILE B 114 -1.090 10.937 -0.921 1.00 0.00 N ATOM 1422 CA ILE B 114 -1.689 11.574 0.245 1.00 0.00 C ATOM 1423 C ILE B 114 -2.181 12.989 -0.058 1.00 0.00 C ATOM 1424 O ILE B 114 -3.133 13.462 0.552 1.00 0.00 O ATOM 1425 CB ILE B 114 -0.678 11.599 1.406 1.00 0.00 C ATOM 1426 CG1 ILE B 114 -0.297 10.166 1.770 1.00 0.00 C ATOM 1427 CG2 ILE B 114 -1.238 12.337 2.615 1.00 0.00 C ATOM 1428 CD1 ILE B 114 0.779 10.072 2.821 1.00 0.00 C ATOM 0 H ILE B 114 -0.114 10.670 -0.790 1.00 0.00 H new ATOM 0 HA ILE B 114 -2.560 10.984 0.530 1.00 0.00 H new ATOM 0 HB ILE B 114 0.213 12.140 1.086 1.00 0.00 H new ATOM 0 HG12 ILE B 114 -1.185 9.643 2.124 1.00 0.00 H new ATOM 0 HG13 ILE B 114 0.040 9.650 0.871 1.00 0.00 H new ATOM 0 HG21 ILE B 114 -0.499 12.336 3.416 1.00 0.00 H new ATOM 0 HG22 ILE B 114 -1.471 13.365 2.338 1.00 0.00 H new ATOM 0 HG23 ILE B 114 -2.145 11.839 2.957 1.00 0.00 H new ATOM 0 HD11 ILE B 114 0.996 9.024 3.027 1.00 0.00 H new ATOM 0 HD12 ILE B 114 1.682 10.566 2.462 1.00 0.00 H new ATOM 0 HD13 ILE B 114 0.438 10.558 3.735 1.00 0.00 H new ATOM 1440 N GLN B 115 -1.539 13.663 -0.999 1.00 0.00 N ATOM 1441 CA GLN B 115 -1.961 15.001 -1.395 1.00 0.00 C ATOM 1442 C GLN B 115 -3.264 14.927 -2.178 1.00 0.00 C ATOM 1443 O GLN B 115 -4.163 15.756 -2.004 1.00 0.00 O ATOM 1444 CB GLN B 115 -0.874 15.666 -2.224 1.00 0.00 C ATOM 1445 CG GLN B 115 0.481 15.611 -1.552 1.00 0.00 C ATOM 1446 CD GLN B 115 1.525 16.458 -2.252 1.00 0.00 C ATOM 1447 OE1 GLN B 115 2.239 15.984 -3.133 1.00 0.00 O ATOM 1448 NE2 GLN B 115 1.624 17.718 -1.859 1.00 0.00 N ATOM 0 H GLN B 115 -0.726 13.309 -1.503 1.00 0.00 H new ATOM 0 HA GLN B 115 -2.129 15.601 -0.501 1.00 0.00 H new ATOM 0 HB2 GLN B 115 -0.814 15.178 -3.197 1.00 0.00 H new ATOM 0 HB3 GLN B 115 -1.145 16.706 -2.405 1.00 0.00 H new ATOM 0 HG2 GLN B 115 0.382 15.946 -0.520 1.00 0.00 H new ATOM 0 HG3 GLN B 115 0.823 14.576 -1.520 1.00 0.00 H new ATOM 0 HE21 GLN B 115 1.012 18.073 -1.124 1.00 0.00 H new ATOM 0 HE22 GLN B 115 2.312 18.334 -2.291 1.00 0.00 H new ATOM 1457 N ALA B 116 -3.357 13.926 -3.035 1.00 0.00 N ATOM 1458 CA ALA B 116 -4.606 13.627 -3.722 1.00 0.00 C ATOM 1459 C ALA B 116 -5.681 13.296 -2.698 1.00 0.00 C ATOM 1460 O ALA B 116 -6.786 13.844 -2.720 1.00 0.00 O ATOM 1461 CB ALA B 116 -4.417 12.461 -4.678 1.00 0.00 C ATOM 0 H ALA B 116 -2.584 13.305 -3.274 1.00 0.00 H new ATOM 0 HA ALA B 116 -4.914 14.499 -4.299 1.00 0.00 H new ATOM 0 HB1 ALA B 116 -5.359 12.249 -5.184 1.00 0.00 H new ATOM 0 HB2 ALA B 116 -3.657 12.716 -5.417 1.00 0.00 H new ATOM 0 HB3 ALA B 116 -4.099 11.581 -4.120 1.00 0.00 H new ATOM 1467 N LEU B 117 -5.315 12.418 -1.772 1.00 0.00 N ATOM 1468 CA LEU B 117 -6.212 11.988 -0.712 1.00 0.00 C ATOM 1469 C LEU B 117 -6.598 13.164 0.174 1.00 0.00 C ATOM 1470 O LEU B 117 -7.664 13.169 0.766 1.00 0.00 O ATOM 1471 CB LEU B 117 -5.546 10.903 0.143 1.00 0.00 C ATOM 1472 CG LEU B 117 -4.934 9.734 -0.632 1.00 0.00 C ATOM 1473 CD1 LEU B 117 -4.283 8.747 0.318 1.00 0.00 C ATOM 1474 CD2 LEU B 117 -5.974 9.033 -1.487 1.00 0.00 C ATOM 0 H LEU B 117 -4.391 11.987 -1.736 1.00 0.00 H new ATOM 0 HA LEU B 117 -7.111 11.581 -1.175 1.00 0.00 H new ATOM 0 HB2 LEU B 117 -4.763 11.368 0.743 1.00 0.00 H new ATOM 0 HB3 LEU B 117 -6.287 10.507 0.838 1.00 0.00 H new ATOM 0 HG LEU B 117 -4.170 10.140 -1.295 1.00 0.00 H new ATOM 0 HD11 LEU B 117 -3.854 7.923 -0.252 1.00 0.00 H new ATOM 0 HD12 LEU B 117 -3.495 9.249 0.880 1.00 0.00 H new ATOM 0 HD13 LEU B 117 -5.032 8.359 1.009 1.00 0.00 H new ATOM 0 HD21 LEU B 117 -5.507 8.208 -2.024 1.00 0.00 H new ATOM 0 HD22 LEU B 117 -6.769 8.647 -0.849 1.00 0.00 H new ATOM 0 HD23 LEU B 117 -6.394 9.740 -2.202 1.00 0.00 H new ATOM 1486 N ASP B 118 -5.724 14.162 0.244 1.00 0.00 N ATOM 1487 CA ASP B 118 -5.926 15.327 1.106 1.00 0.00 C ATOM 1488 C ASP B 118 -7.174 16.106 0.701 1.00 0.00 C ATOM 1489 O ASP B 118 -7.858 16.683 1.546 1.00 0.00 O ATOM 1490 CB ASP B 118 -4.694 16.231 1.064 1.00 0.00 C ATOM 1491 CG ASP B 118 -4.799 17.431 1.985 1.00 0.00 C ATOM 1492 OD1 ASP B 118 -4.617 17.264 3.213 1.00 0.00 O ATOM 1493 OD2 ASP B 118 -5.019 18.553 1.483 1.00 0.00 O ATOM 0 H ASP B 118 -4.857 14.189 -0.293 1.00 0.00 H new ATOM 0 HA ASP B 118 -6.072 14.973 2.127 1.00 0.00 H new ATOM 0 HB2 ASP B 118 -3.815 15.648 1.337 1.00 0.00 H new ATOM 0 HB3 ASP B 118 -4.541 16.578 0.042 1.00 0.00 H new ATOM 1498 N ALA B 119 -7.476 16.114 -0.591 1.00 0.00 N ATOM 1499 CA ALA B 119 -8.719 16.710 -1.072 1.00 0.00 C ATOM 1500 C ALA B 119 -9.909 15.918 -0.539 1.00 0.00 C ATOM 1501 O ALA B 119 -10.919 16.475 -0.090 1.00 0.00 O ATOM 1502 CB ALA B 119 -8.738 16.743 -2.589 1.00 0.00 C ATOM 0 H ALA B 119 -6.884 15.718 -1.321 1.00 0.00 H new ATOM 0 HA ALA B 119 -8.786 17.735 -0.709 1.00 0.00 H new ATOM 0 HB1 ALA B 119 -9.671 17.190 -2.932 1.00 0.00 H new ATOM 0 HB2 ALA B 119 -7.898 17.335 -2.951 1.00 0.00 H new ATOM 0 HB3 ALA B 119 -8.659 15.727 -2.976 1.00 0.00 H new ATOM 1508 N GLU B 120 -9.775 14.604 -0.574 1.00 0.00 N ATOM 1509 CA GLU B 120 -10.778 13.728 -0.007 1.00 0.00 C ATOM 1510 C GLU B 120 -10.790 13.845 1.519 1.00 0.00 C ATOM 1511 O GLU B 120 -11.809 13.630 2.155 1.00 0.00 O ATOM 1512 CB GLU B 120 -10.536 12.284 -0.428 1.00 0.00 C ATOM 1513 CG GLU B 120 -11.013 11.931 -1.829 1.00 0.00 C ATOM 1514 CD GLU B 120 -10.365 12.758 -2.922 1.00 0.00 C ATOM 1515 OE1 GLU B 120 -9.253 12.410 -3.360 1.00 0.00 O ATOM 1516 OE2 GLU B 120 -10.984 13.748 -3.365 1.00 0.00 O ATOM 0 H GLU B 120 -8.979 14.122 -0.991 1.00 0.00 H new ATOM 0 HA GLU B 120 -11.752 14.035 -0.387 1.00 0.00 H new ATOM 0 HB2 GLU B 120 -9.468 12.077 -0.362 1.00 0.00 H new ATOM 0 HB3 GLU B 120 -11.033 11.626 0.285 1.00 0.00 H new ATOM 0 HG2 GLU B 120 -10.812 10.876 -2.016 1.00 0.00 H new ATOM 0 HG3 GLU B 120 -12.094 12.063 -1.879 1.00 0.00 H new ATOM 1523 N ILE B 121 -9.650 14.180 2.110 1.00 0.00 N ATOM 1524 CA ILE B 121 -9.583 14.427 3.548 1.00 0.00 C ATOM 1525 C ILE B 121 -10.559 15.531 3.939 1.00 0.00 C ATOM 1526 O ILE B 121 -11.109 15.520 5.034 1.00 0.00 O ATOM 1527 CB ILE B 121 -8.142 14.781 4.014 1.00 0.00 C ATOM 1528 CG1 ILE B 121 -7.464 13.558 4.637 1.00 0.00 C ATOM 1529 CG2 ILE B 121 -8.123 15.947 4.994 1.00 0.00 C ATOM 1530 CD1 ILE B 121 -7.258 12.415 3.671 1.00 0.00 C ATOM 0 H ILE B 121 -8.762 14.287 1.620 1.00 0.00 H new ATOM 0 HA ILE B 121 -9.867 13.504 4.053 1.00 0.00 H new ATOM 0 HB ILE B 121 -7.586 15.089 3.128 1.00 0.00 H new ATOM 0 HG12 ILE B 121 -6.497 13.857 5.042 1.00 0.00 H new ATOM 0 HG13 ILE B 121 -8.066 13.208 5.475 1.00 0.00 H new ATOM 0 HG21 ILE B 121 -7.095 16.156 5.290 1.00 0.00 H new ATOM 0 HG22 ILE B 121 -8.550 16.829 4.518 1.00 0.00 H new ATOM 0 HG23 ILE B 121 -8.710 15.691 5.876 1.00 0.00 H new ATOM 0 HD11 ILE B 121 -6.773 11.586 4.186 1.00 0.00 H new ATOM 0 HD12 ILE B 121 -8.223 12.087 3.284 1.00 0.00 H new ATOM 0 HD13 ILE B 121 -6.629 12.746 2.844 1.00 0.00 H new ATOM 1542 N ARG B 122 -10.800 16.459 3.023 1.00 0.00 N ATOM 1543 CA ARG B 122 -11.748 17.521 3.248 1.00 0.00 C ATOM 1544 C ARG B 122 -13.156 16.954 3.417 1.00 0.00 C ATOM 1545 O ARG B 122 -13.924 17.422 4.261 1.00 0.00 O ATOM 1546 CB ARG B 122 -11.698 18.493 2.079 1.00 0.00 C ATOM 1547 CG ARG B 122 -10.307 19.050 1.804 1.00 0.00 C ATOM 1548 CD ARG B 122 -9.681 19.651 3.052 1.00 0.00 C ATOM 1549 NE ARG B 122 -8.314 20.104 2.812 1.00 0.00 N ATOM 1550 CZ ARG B 122 -7.427 20.345 3.775 1.00 0.00 C ATOM 1551 NH1 ARG B 122 -7.733 20.111 5.046 1.00 0.00 N ATOM 1552 NH2 ARG B 122 -6.220 20.792 3.461 1.00 0.00 N ATOM 0 H ARG B 122 -10.343 16.490 2.112 1.00 0.00 H new ATOM 0 HA ARG B 122 -11.487 18.050 4.165 1.00 0.00 H new ATOM 0 HB2 ARG B 122 -12.061 17.989 1.183 1.00 0.00 H new ATOM 0 HB3 ARG B 122 -12.379 19.321 2.277 1.00 0.00 H new ATOM 0 HG2 ARG B 122 -9.666 18.255 1.423 1.00 0.00 H new ATOM 0 HG3 ARG B 122 -10.368 19.811 1.026 1.00 0.00 H new ATOM 0 HD2 ARG B 122 -10.287 20.490 3.394 1.00 0.00 H new ATOM 0 HD3 ARG B 122 -9.683 18.910 3.852 1.00 0.00 H new ATOM 0 HE ARG B 122 -8.020 20.245 1.845 1.00 0.00 H new ATOM 0 HH11 ARG B 122 -8.653 19.744 5.290 1.00 0.00 H new ATOM 0 HH12 ARG B 122 -7.048 20.298 5.778 1.00 0.00 H new ATOM 0 HH21 ARG B 122 -5.973 20.950 2.484 1.00 0.00 H new ATOM 0 HH22 ARG B 122 -5.538 20.978 4.196 1.00 0.00 H new ATOM 1566 N LYS B 123 -13.485 15.940 2.619 1.00 0.00 N ATOM 1567 CA LYS B 123 -14.771 15.248 2.766 1.00 0.00 C ATOM 1568 C LYS B 123 -14.813 14.505 4.100 1.00 0.00 C ATOM 1569 O LYS B 123 -15.868 14.358 4.713 1.00 0.00 O ATOM 1570 CB LYS B 123 -15.023 14.271 1.608 1.00 0.00 C ATOM 1571 CG LYS B 123 -14.454 12.865 1.818 1.00 0.00 C ATOM 1572 CD LYS B 123 -14.407 12.043 0.538 1.00 0.00 C ATOM 1573 CE LYS B 123 -14.946 12.814 -0.645 1.00 0.00 C ATOM 1574 NZ LYS B 123 -15.004 12.000 -1.888 1.00 0.00 N ATOM 0 H LYS B 123 -12.890 15.580 1.872 1.00 0.00 H new ATOM 0 HA LYS B 123 -15.561 15.999 2.744 1.00 0.00 H new ATOM 0 HB2 LYS B 123 -16.098 14.192 1.445 1.00 0.00 H new ATOM 0 HB3 LYS B 123 -14.593 14.690 0.698 1.00 0.00 H new ATOM 0 HG2 LYS B 123 -13.448 12.944 2.229 1.00 0.00 H new ATOM 0 HG3 LYS B 123 -15.060 12.341 2.557 1.00 0.00 H new ATOM 0 HD2 LYS B 123 -13.379 11.742 0.337 1.00 0.00 H new ATOM 0 HD3 LYS B 123 -14.987 11.130 0.671 1.00 0.00 H new ATOM 0 HE2 LYS B 123 -15.945 13.180 -0.409 1.00 0.00 H new ATOM 0 HE3 LYS B 123 -14.319 13.689 -0.818 1.00 0.00 H new ATOM 0 HZ1 LYS B 123 -15.864 12.241 -2.421 1.00 0.00 H new ATOM 0 HZ2 LYS B 123 -14.167 12.199 -2.473 1.00 0.00 H new ATOM 0 HZ3 LYS B 123 -15.021 10.990 -1.641 1.00 0.00 H new ATOM 1588 N LEU B 124 -13.658 14.037 4.541 1.00 0.00 N ATOM 1589 CA LEU B 124 -13.544 13.404 5.840 1.00 0.00 C ATOM 1590 C LEU B 124 -13.756 14.429 6.945 1.00 0.00 C ATOM 1591 O LEU B 124 -14.568 14.227 7.836 1.00 0.00 O ATOM 1592 CB LEU B 124 -12.178 12.732 5.991 1.00 0.00 C ATOM 1593 CG LEU B 124 -11.946 11.521 5.087 1.00 0.00 C ATOM 1594 CD1 LEU B 124 -10.538 10.978 5.275 1.00 0.00 C ATOM 1595 CD2 LEU B 124 -12.969 10.444 5.386 1.00 0.00 C ATOM 0 H LEU B 124 -12.785 14.085 4.016 1.00 0.00 H new ATOM 0 HA LEU B 124 -14.315 12.638 5.922 1.00 0.00 H new ATOM 0 HB2 LEU B 124 -11.403 13.471 5.788 1.00 0.00 H new ATOM 0 HB3 LEU B 124 -12.057 12.420 7.028 1.00 0.00 H new ATOM 0 HG LEU B 124 -12.059 11.835 4.049 1.00 0.00 H new ATOM 0 HD11 LEU B 124 -10.390 10.116 4.624 1.00 0.00 H new ATOM 0 HD12 LEU B 124 -9.813 11.752 5.023 1.00 0.00 H new ATOM 0 HD13 LEU B 124 -10.400 10.676 6.313 1.00 0.00 H new ATOM 0 HD21 LEU B 124 -12.795 9.586 4.737 1.00 0.00 H new ATOM 0 HD22 LEU B 124 -12.878 10.135 6.427 1.00 0.00 H new ATOM 0 HD23 LEU B 124 -13.971 10.835 5.209 1.00 0.00 H new ATOM 1607 N GLU B 125 -13.050 15.546 6.861 1.00 0.00 N ATOM 1608 CA GLU B 125 -13.125 16.583 7.882 1.00 0.00 C ATOM 1609 C GLU B 125 -14.539 17.136 8.027 1.00 0.00 C ATOM 1610 O GLU B 125 -14.958 17.491 9.124 1.00 0.00 O ATOM 1611 CB GLU B 125 -12.151 17.711 7.572 1.00 0.00 C ATOM 1612 CG GLU B 125 -10.703 17.261 7.547 1.00 0.00 C ATOM 1613 CD GLU B 125 -9.755 18.392 7.218 1.00 0.00 C ATOM 1614 OE1 GLU B 125 -9.851 18.954 6.108 1.00 0.00 O ATOM 1615 OE2 GLU B 125 -8.908 18.728 8.070 1.00 0.00 O ATOM 0 H GLU B 125 -12.415 15.759 6.092 1.00 0.00 H new ATOM 0 HA GLU B 125 -12.849 16.123 8.831 1.00 0.00 H new ATOM 0 HB2 GLU B 125 -12.406 18.147 6.606 1.00 0.00 H new ATOM 0 HB3 GLU B 125 -12.267 18.498 8.317 1.00 0.00 H new ATOM 0 HG2 GLU B 125 -10.439 16.840 8.517 1.00 0.00 H new ATOM 0 HG3 GLU B 125 -10.585 16.466 6.811 1.00 0.00 H new ATOM 1622 N ARG B 126 -15.284 17.200 6.929 1.00 0.00 N ATOM 1623 CA ARG B 126 -16.669 17.661 6.999 1.00 0.00 C ATOM 1624 C ARG B 126 -17.539 16.615 7.705 1.00 0.00 C ATOM 1625 O ARG B 126 -18.633 16.912 8.176 1.00 0.00 O ATOM 1626 CB ARG B 126 -17.227 17.999 5.609 1.00 0.00 C ATOM 1627 CG ARG B 126 -17.461 16.797 4.715 1.00 0.00 C ATOM 1628 CD ARG B 126 -17.924 17.208 3.325 1.00 0.00 C ATOM 1629 NE ARG B 126 -19.178 17.960 3.357 1.00 0.00 N ATOM 1630 CZ ARG B 126 -20.024 18.047 2.330 1.00 0.00 C ATOM 1631 NH1 ARG B 126 -19.755 17.432 1.184 1.00 0.00 N ATOM 1632 NH2 ARG B 126 -21.140 18.757 2.448 1.00 0.00 N ATOM 0 H ARG B 126 -14.962 16.944 5.996 1.00 0.00 H new ATOM 0 HA ARG B 126 -16.689 18.582 7.582 1.00 0.00 H new ATOM 0 HB2 ARG B 126 -18.169 18.534 5.730 1.00 0.00 H new ATOM 0 HB3 ARG B 126 -16.536 18.678 5.110 1.00 0.00 H new ATOM 0 HG2 ARG B 126 -16.541 16.219 4.635 1.00 0.00 H new ATOM 0 HG3 ARG B 126 -18.208 16.146 5.169 1.00 0.00 H new ATOM 0 HD2 ARG B 126 -17.152 17.814 2.852 1.00 0.00 H new ATOM 0 HD3 ARG B 126 -18.052 16.318 2.709 1.00 0.00 H new ATOM 0 HE ARG B 126 -19.421 18.449 4.219 1.00 0.00 H new ATOM 0 HH11 ARG B 126 -18.897 16.889 1.086 1.00 0.00 H new ATOM 0 HH12 ARG B 126 -20.406 17.503 0.402 1.00 0.00 H new ATOM 0 HH21 ARG B 126 -21.350 19.236 3.324 1.00 0.00 H new ATOM 0 HH22 ARG B 126 -21.787 18.824 1.663 1.00 0.00 H new ATOM 1646 N LEU B 127 -17.043 15.389 7.780 1.00 0.00 N ATOM 1647 CA LEU B 127 -17.683 14.356 8.579 1.00 0.00 C ATOM 1648 C LEU B 127 -17.252 14.525 10.036 1.00 0.00 C ATOM 1649 O LEU B 127 -18.080 14.764 10.916 1.00 0.00 O ATOM 1650 CB LEU B 127 -17.282 12.965 8.061 1.00 0.00 C ATOM 1651 CG LEU B 127 -18.345 11.864 8.153 1.00 0.00 C ATOM 1652 CD1 LEU B 127 -18.917 11.758 9.559 1.00 0.00 C ATOM 1653 CD2 LEU B 127 -19.447 12.104 7.136 1.00 0.00 C ATOM 0 H LEU B 127 -16.198 15.085 7.296 1.00 0.00 H new ATOM 0 HA LEU B 127 -18.767 14.448 8.505 1.00 0.00 H new ATOM 0 HB2 LEU B 127 -16.983 13.063 7.017 1.00 0.00 H new ATOM 0 HB3 LEU B 127 -16.402 12.636 8.615 1.00 0.00 H new ATOM 0 HG LEU B 127 -17.864 10.913 7.924 1.00 0.00 H new ATOM 0 HD11 LEU B 127 -19.667 10.968 9.588 1.00 0.00 H new ATOM 0 HD12 LEU B 127 -18.116 11.524 10.261 1.00 0.00 H new ATOM 0 HD13 LEU B 127 -19.378 12.706 9.837 1.00 0.00 H new ATOM 0 HD21 LEU B 127 -20.193 11.313 7.215 1.00 0.00 H new ATOM 0 HD22 LEU B 127 -19.918 13.068 7.330 1.00 0.00 H new ATOM 0 HD23 LEU B 127 -19.022 12.103 6.132 1.00 0.00 H new ATOM 1665 N LEU B 128 -15.946 14.399 10.263 1.00 0.00 N ATOM 1666 CA LEU B 128 -15.320 14.617 11.556 1.00 0.00 C ATOM 1667 C LEU B 128 -15.840 15.872 12.262 1.00 0.00 C ATOM 1668 O LEU B 128 -16.480 15.789 13.307 1.00 0.00 O ATOM 1669 CB LEU B 128 -13.809 14.750 11.342 1.00 0.00 C ATOM 1670 CG LEU B 128 -13.030 13.444 11.113 1.00 0.00 C ATOM 1671 CD1 LEU B 128 -13.613 12.595 9.996 1.00 0.00 C ATOM 1672 CD2 LEU B 128 -11.566 13.754 10.824 1.00 0.00 C ATOM 0 H LEU B 128 -15.283 14.136 9.534 1.00 0.00 H new ATOM 0 HA LEU B 128 -15.562 13.767 12.194 1.00 0.00 H new ATOM 0 HB2 LEU B 128 -13.642 15.401 10.484 1.00 0.00 H new ATOM 0 HB3 LEU B 128 -13.384 15.252 12.211 1.00 0.00 H new ATOM 0 HG LEU B 128 -13.113 12.860 12.030 1.00 0.00 H new ATOM 0 HD11 LEU B 128 -13.021 11.687 9.882 1.00 0.00 H new ATOM 0 HD12 LEU B 128 -14.641 12.329 10.240 1.00 0.00 H new ATOM 0 HD13 LEU B 128 -13.596 13.159 9.063 1.00 0.00 H new ATOM 0 HD21 LEU B 128 -11.022 12.823 10.663 1.00 0.00 H new ATOM 0 HD22 LEU B 128 -11.495 14.375 9.931 1.00 0.00 H new ATOM 0 HD23 LEU B 128 -11.133 14.286 11.671 1.00 0.00 H new ATOM 1684 N GLU B 129 -15.562 17.024 11.674 1.00 0.00 N ATOM 1685 CA GLU B 129 -15.799 18.305 12.325 1.00 0.00 C ATOM 1686 C GLU B 129 -17.228 18.806 12.157 1.00 0.00 C ATOM 1687 O GLU B 129 -17.786 19.411 13.073 1.00 0.00 O ATOM 1688 CB GLU B 129 -14.838 19.346 11.763 1.00 0.00 C ATOM 1689 CG GLU B 129 -13.382 18.939 11.859 1.00 0.00 C ATOM 1690 CD GLU B 129 -12.458 19.987 11.287 1.00 0.00 C ATOM 1691 OE1 GLU B 129 -12.185 20.988 11.981 1.00 0.00 O ATOM 1692 OE2 GLU B 129 -11.999 19.817 10.142 1.00 0.00 O ATOM 0 H GLU B 129 -15.167 17.099 10.736 1.00 0.00 H new ATOM 0 HA GLU B 129 -15.632 18.153 13.391 1.00 0.00 H new ATOM 0 HB2 GLU B 129 -15.087 19.532 10.718 1.00 0.00 H new ATOM 0 HB3 GLU B 129 -14.980 20.286 12.297 1.00 0.00 H new ATOM 0 HG2 GLU B 129 -13.124 18.761 12.903 1.00 0.00 H new ATOM 0 HG3 GLU B 129 -13.234 17.998 11.329 1.00 0.00 H new ATOM 1699 N SER B 130 -17.822 18.569 10.997 1.00 0.00 N ATOM 1700 CA SER B 130 -19.114 19.170 10.689 1.00 0.00 C ATOM 1701 C SER B 130 -20.262 18.219 11.027 1.00 0.00 C ATOM 1702 O SER B 130 -21.428 18.611 11.028 1.00 0.00 O ATOM 1703 CB SER B 130 -19.162 19.591 9.215 1.00 0.00 C ATOM 1704 OG SER B 130 -20.369 20.257 8.891 1.00 0.00 O ATOM 0 H SER B 130 -17.439 17.974 10.262 1.00 0.00 H new ATOM 0 HA SER B 130 -19.236 20.059 11.308 1.00 0.00 H new ATOM 0 HB2 SER B 130 -18.318 20.245 8.997 1.00 0.00 H new ATOM 0 HB3 SER B 130 -19.054 18.710 8.583 1.00 0.00 H new ATOM 0 HG SER B 130 -21.050 20.045 9.563 1.00 0.00 H new ATOM 1710 N GLY B 131 -19.916 16.972 11.332 1.00 0.00 N ATOM 1711 CA GLY B 131 -20.915 15.991 11.723 1.00 0.00 C ATOM 1712 C GLY B 131 -21.869 15.650 10.598 1.00 0.00 C ATOM 1713 O GLY B 131 -23.020 15.282 10.848 1.00 0.00 O ATOM 0 H GLY B 131 -18.958 16.622 11.315 1.00 0.00 H new ATOM 0 HA2 GLY B 131 -20.415 15.082 12.058 1.00 0.00 H new ATOM 0 HA3 GLY B 131 -21.482 16.374 12.572 1.00 0.00 H new ATOM 1717 N LEU B 132 -21.379 15.764 9.363 1.00 0.00 N ATOM 1718 CA LEU B 132 -22.179 15.530 8.166 1.00 0.00 C ATOM 1719 C LEU B 132 -22.926 14.197 8.241 1.00 0.00 C ATOM 1720 O LEU B 132 -24.115 14.127 7.925 1.00 0.00 O ATOM 1721 CB LEU B 132 -21.259 15.549 6.945 1.00 0.00 C ATOM 1722 CG LEU B 132 -21.932 15.300 5.600 1.00 0.00 C ATOM 1723 CD1 LEU B 132 -22.759 16.505 5.187 1.00 0.00 C ATOM 1724 CD2 LEU B 132 -20.886 14.980 4.552 1.00 0.00 C ATOM 0 H LEU B 132 -20.412 16.022 9.167 1.00 0.00 H new ATOM 0 HA LEU B 132 -22.927 16.319 8.086 1.00 0.00 H new ATOM 0 HB2 LEU B 132 -20.759 16.517 6.906 1.00 0.00 H new ATOM 0 HB3 LEU B 132 -20.484 14.796 7.087 1.00 0.00 H new ATOM 0 HG LEU B 132 -22.604 14.447 5.693 1.00 0.00 H new ATOM 0 HD11 LEU B 132 -23.232 16.309 4.225 1.00 0.00 H new ATOM 0 HD12 LEU B 132 -23.527 16.694 5.937 1.00 0.00 H new ATOM 0 HD13 LEU B 132 -22.112 17.378 5.102 1.00 0.00 H new ATOM 0 HD21 LEU B 132 -21.374 14.803 3.593 1.00 0.00 H new ATOM 0 HD22 LEU B 132 -20.196 15.819 4.459 1.00 0.00 H new ATOM 0 HD23 LEU B 132 -20.335 14.088 4.849 1.00 0.00 H new ATOM 1736 N THR B 133 -22.215 13.162 8.679 1.00 0.00 N ATOM 1737 CA THR B 133 -22.779 11.825 8.825 1.00 0.00 C ATOM 1738 C THR B 133 -23.059 11.192 7.460 1.00 0.00 C ATOM 1739 O THR B 133 -22.208 10.412 6.986 1.00 0.00 O ATOM 1740 CB THR B 133 -24.065 11.842 9.677 1.00 0.00 C ATOM 1741 OG1 THR B 133 -23.828 12.564 10.898 1.00 0.00 O ATOM 1742 CG2 THR B 133 -24.518 10.429 10.005 1.00 0.00 C ATOM 1743 OXT THR B 133 -24.121 11.475 6.862 1.00 0.00 O ATOM 0 H THR B 133 -21.232 13.227 8.943 1.00 0.00 H new ATOM 0 HA THR B 133 -22.036 11.219 9.344 1.00 0.00 H new ATOM 0 HB THR B 133 -24.850 12.334 9.102 1.00 0.00 H new ATOM 0 HG1 THR B 133 -23.675 13.510 10.694 1.00 0.00 H new ATOM 0 HG21 THR B 133 -25.426 10.468 10.606 1.00 0.00 H new ATOM 0 HG22 THR B 133 -24.718 9.887 9.081 1.00 0.00 H new ATOM 0 HG23 THR B 133 -23.735 9.916 10.564 1.00 0.00 H new TER 1751 THR B 133