USER MOD reduce.3.24.130724 H: found=0, std=0, add=854, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 854 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 70 ASN : amide:sc= 0.513 K(o=0.037,f=-7.9!) USER MOD Set 1.2: A 73 THR OG1 : rot 180:sc= -0.477 USER MOD Set 2.1: A 65 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 102 HIS : no HD1:sc= -0.0681 X(o=-0.068,f=0) USER MOD Set 3.1: A 37 HIS :FLIP no HE2:sc= -0.585 F(o=-3.7,f=-2.5) USER MOD Set 3.2: A 48 HIS :FLIP no HD1:sc= -1.87 F(o=-3,f=-2.5) USER MOD Set 4.1: A 25 THR OG1 : rot 162:sc= 1.06 USER MOD Set 4.2: A 31 GLN : amide:sc= 0.671 K(o=1.7,f=-0.27) USER MOD Set 5.1: A 20 HIS : no HD1:sc= 1.13 K(o=1.8,f=-7.7!) USER MOD Set 5.2: A 27 GLN : amide:sc= 0.685 X(o=1.8,f=1.4) USER MOD Single : A 1 GLY N :NH3+ -136:sc= 0.148 (180deg=0) USER MOD Single : A 3 HIS : no HD1:sc=-0.00742 X(o=-0.0074,f=0) USER MOD Single : A 4 MET CE :methyl 158:sc= -0.211 (180deg=-0.872) USER MOD Single : A 7 SER OG : rot 180:sc= -0.0306 USER MOD Single : A 8 MET CE :methyl 169:sc= -0.535 (180deg=-0.664) USER MOD Single : A 9 LYS NZ :NH3+ -179:sc= 0.468 (180deg=0.398) USER MOD Single : A 16 ASN : amide:sc= -0.264 K(o=-0.26,f=-2!) USER MOD Single : A 18 ASN : amide:sc= 0.481 K(o=0.48,f=-0.41) USER MOD Single : A 22 THR OG1 : rot 15:sc= 0.99 USER MOD Single : A 23 SER OG : rot 47:sc= 0.0488 USER MOD Single : A 24 SER OG : rot 100:sc= 1.2 USER MOD Single : A 28 GLN : amide:sc= -0.0147 K(o=-0.015,f=-1.1) USER MOD Single : A 30 GLN : amide:sc= 0 K(o=0,f=-1.2) USER MOD Single : A 32 ASN : amide:sc= 0.869 K(o=0.87,f=-0.6) USER MOD Single : A 34 SER OG : rot 76:sc= -0.421 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 LYS NZ :NH3+ -146:sc= -0.92 (180deg=-2.48!) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 THR OG1 : rot 88:sc= 1.11 USER MOD Single : A 55 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 LYS NZ :NH3+ 153:sc= 1.11 (180deg=0.572) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 66 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 GLN :FLIP amide:sc= -1.5! F(o=-2.3,f=-1.5!) USER MOD Single : A 76 TYR OH : rot 180:sc= 0.618 USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 83 THR OG1 : rot 180:sc= 0.445 USER MOD Single : A 92 LYS NZ :NH3+ 171:sc=-0.00363 (180deg=-0.124) USER MOD Single : A 93 SER OG : rot -159:sc= -0.0518 USER MOD Single : A 94 TYR OH : rot 150:sc= -0.784 USER MOD Single : A 99 MET CE :methyl 157:sc= -0.105 (180deg=-0.545) USER MOD Single : A 100 LYS NZ :NH3+ 168:sc= 1.33 (180deg=1.22) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -24.917 -20.440 -6.798 1.00 0.00 N ATOM 2 CA GLY A 1 -25.987 -19.827 -6.022 1.00 0.00 C ATOM 3 C GLY A 1 -25.511 -18.557 -5.387 1.00 0.00 C ATOM 4 O GLY A 1 -24.465 -18.017 -5.792 1.00 0.00 O ATOM 0 H1 GLY A 1 -25.293 -20.764 -7.712 1.00 0.00 H new ATOM 0 H2 GLY A 1 -24.163 -19.742 -6.962 1.00 0.00 H new ATOM 0 H3 GLY A 1 -24.530 -21.252 -6.275 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -26.840 -19.620 -6.668 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -26.329 -20.519 -5.253 1.00 0.00 H new ATOM 10 N ALA A 2 -26.263 -18.080 -4.395 1.00 0.00 N ATOM 11 CA ALA A 2 -25.964 -16.858 -3.648 1.00 0.00 C ATOM 12 C ALA A 2 -26.007 -15.631 -4.556 1.00 0.00 C ATOM 13 O ALA A 2 -26.472 -15.698 -5.695 1.00 0.00 O ATOM 14 CB ALA A 2 -24.627 -16.965 -2.906 1.00 0.00 C ATOM 0 H ALA A 2 -27.116 -18.543 -4.081 1.00 0.00 H new ATOM 0 HA ALA A 2 -26.741 -16.735 -2.894 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -24.438 -16.040 -2.362 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -24.667 -17.797 -2.203 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -23.825 -17.134 -3.624 1.00 0.00 H new ATOM 20 N HIS A 3 -25.591 -14.510 -4.049 1.00 0.00 N ATOM 21 CA HIS A 3 -25.548 -13.307 -4.838 1.00 0.00 C ATOM 22 C HIS A 3 -24.130 -12.856 -5.026 1.00 0.00 C ATOM 23 O HIS A 3 -23.294 -12.984 -4.113 1.00 0.00 O ATOM 24 CB HIS A 3 -26.405 -12.167 -4.237 1.00 0.00 C ATOM 25 CG HIS A 3 -27.895 -12.328 -4.413 1.00 0.00 C ATOM 26 ND1 HIS A 3 -28.743 -11.272 -4.671 1.00 0.00 N ATOM 27 CD2 HIS A 3 -28.688 -13.424 -4.349 1.00 0.00 C ATOM 28 CE1 HIS A 3 -29.978 -11.713 -4.761 1.00 0.00 C ATOM 29 NE2 HIS A 3 -29.970 -13.011 -4.570 1.00 0.00 N ATOM 0 H HIS A 3 -25.274 -14.399 -3.086 1.00 0.00 H new ATOM 0 HA HIS A 3 -25.981 -13.548 -5.809 1.00 0.00 H new ATOM 0 HB2 HIS A 3 -26.186 -12.091 -3.172 1.00 0.00 H new ATOM 0 HB3 HIS A 3 -26.100 -11.225 -4.693 1.00 0.00 H new ATOM 0 HD2 HIS A 3 -28.366 -14.437 -4.158 1.00 0.00 H new ATOM 0 HE1 HIS A 3 -30.851 -11.109 -4.959 1.00 0.00 H new ATOM 0 HE2 HIS A 3 -30.791 -13.616 -4.584 1.00 0.00 H new ATOM 38 N MET A 4 -23.835 -12.385 -6.203 1.00 0.00 N ATOM 39 CA MET A 4 -22.534 -11.840 -6.497 1.00 0.00 C ATOM 40 C MET A 4 -22.637 -10.351 -6.484 1.00 0.00 C ATOM 41 O MET A 4 -23.724 -9.803 -6.685 1.00 0.00 O ATOM 42 CB MET A 4 -21.996 -12.286 -7.856 1.00 0.00 C ATOM 43 CG MET A 4 -21.699 -13.764 -7.984 1.00 0.00 C ATOM 44 SD MET A 4 -20.904 -14.166 -9.560 1.00 0.00 S ATOM 45 CE MET A 4 -19.346 -13.279 -9.400 1.00 0.00 C ATOM 0 H MET A 4 -24.486 -12.366 -6.988 1.00 0.00 H new ATOM 0 HA MET A 4 -21.840 -12.206 -5.740 1.00 0.00 H new ATOM 0 HB2 MET A 4 -22.720 -12.011 -8.622 1.00 0.00 H new ATOM 0 HB3 MET A 4 -21.083 -11.730 -8.066 1.00 0.00 H new ATOM 0 HG2 MET A 4 -21.053 -14.076 -7.163 1.00 0.00 H new ATOM 0 HG3 MET A 4 -22.627 -14.329 -7.892 1.00 0.00 H new ATOM 0 HE1 MET A 4 -18.607 -13.719 -10.069 1.00 0.00 H new ATOM 0 HE2 MET A 4 -19.495 -12.232 -9.662 1.00 0.00 H new ATOM 0 HE3 MET A 4 -18.991 -13.349 -8.372 1.00 0.00 H new ATOM 55 N GLY A 5 -21.550 -9.703 -6.241 1.00 0.00 N ATOM 56 CA GLY A 5 -21.551 -8.277 -6.191 1.00 0.00 C ATOM 57 C GLY A 5 -21.009 -7.812 -4.883 1.00 0.00 C ATOM 58 O GLY A 5 -21.717 -7.195 -4.085 1.00 0.00 O ATOM 0 H GLY A 5 -20.643 -10.138 -6.073 1.00 0.00 H new ATOM 0 HA2 GLY A 5 -20.949 -7.876 -7.007 1.00 0.00 H new ATOM 0 HA3 GLY A 5 -22.565 -7.901 -6.328 1.00 0.00 H new ATOM 62 N GLY A 6 -19.770 -8.123 -4.640 1.00 0.00 N ATOM 63 CA GLY A 6 -19.176 -7.778 -3.389 1.00 0.00 C ATOM 64 C GLY A 6 -17.756 -7.349 -3.541 1.00 0.00 C ATOM 65 O GLY A 6 -16.866 -7.920 -2.918 1.00 0.00 O ATOM 0 H GLY A 6 -19.156 -8.613 -5.290 1.00 0.00 H new ATOM 0 HA2 GLY A 6 -19.749 -6.975 -2.925 1.00 0.00 H new ATOM 0 HA3 GLY A 6 -19.225 -8.634 -2.716 1.00 0.00 H new ATOM 69 N SER A 7 -17.522 -6.388 -4.397 1.00 0.00 N ATOM 70 CA SER A 7 -16.207 -5.845 -4.547 1.00 0.00 C ATOM 71 C SER A 7 -15.937 -4.874 -3.401 1.00 0.00 C ATOM 72 O SER A 7 -16.830 -4.119 -2.986 1.00 0.00 O ATOM 73 CB SER A 7 -16.069 -5.203 -5.921 1.00 0.00 C ATOM 74 OG SER A 7 -16.369 -6.136 -6.951 1.00 0.00 O ATOM 0 H SER A 7 -18.230 -5.968 -5.000 1.00 0.00 H new ATOM 0 HA SER A 7 -15.453 -6.630 -4.493 1.00 0.00 H new ATOM 0 HB2 SER A 7 -16.739 -4.346 -5.995 1.00 0.00 H new ATOM 0 HB3 SER A 7 -15.054 -4.827 -6.050 1.00 0.00 H new ATOM 0 HG SER A 7 -16.275 -5.701 -7.824 1.00 0.00 H new ATOM 80 N MET A 8 -14.742 -4.903 -2.891 1.00 0.00 N ATOM 81 CA MET A 8 -14.418 -4.154 -1.714 1.00 0.00 C ATOM 82 C MET A 8 -13.417 -3.103 -1.988 1.00 0.00 C ATOM 83 O MET A 8 -12.471 -3.341 -2.718 1.00 0.00 O ATOM 84 CB MET A 8 -13.850 -5.040 -0.648 1.00 0.00 C ATOM 85 CG MET A 8 -14.497 -6.357 -0.407 1.00 0.00 C ATOM 86 SD MET A 8 -16.150 -6.350 0.253 1.00 0.00 S ATOM 87 CE MET A 8 -16.254 -8.117 0.571 1.00 0.00 C ATOM 0 H MET A 8 -13.968 -5.444 -3.277 1.00 0.00 H new ATOM 0 HA MET A 8 -15.352 -3.701 -1.382 1.00 0.00 H new ATOM 0 HB2 MET A 8 -12.803 -5.223 -0.891 1.00 0.00 H new ATOM 0 HB3 MET A 8 -13.867 -4.485 0.290 1.00 0.00 H new ATOM 0 HG2 MET A 8 -14.514 -6.902 -1.351 1.00 0.00 H new ATOM 0 HG3 MET A 8 -13.864 -6.923 0.276 1.00 0.00 H new ATOM 0 HE1 MET A 8 -17.139 -8.327 1.171 1.00 0.00 H new ATOM 0 HE2 MET A 8 -16.321 -8.654 -0.375 1.00 0.00 H new ATOM 0 HE3 MET A 8 -15.364 -8.443 1.110 1.00 0.00 H new ATOM 97 N LYS A 9 -13.612 -1.938 -1.424 1.00 0.00 N ATOM 98 CA LYS A 9 -12.645 -0.882 -1.557 1.00 0.00 C ATOM 99 C LYS A 9 -11.803 -0.878 -0.279 1.00 0.00 C ATOM 100 O LYS A 9 -12.148 -0.249 0.722 1.00 0.00 O ATOM 101 CB LYS A 9 -13.321 0.468 -1.821 1.00 0.00 C ATOM 102 CG LYS A 9 -12.413 1.562 -2.332 1.00 0.00 C ATOM 103 CD LYS A 9 -13.210 2.832 -2.560 1.00 0.00 C ATOM 104 CE LYS A 9 -12.562 3.753 -3.582 1.00 0.00 C ATOM 105 NZ LYS A 9 -11.220 4.245 -3.193 1.00 0.00 N ATOM 0 H LYS A 9 -14.433 -1.698 -0.868 1.00 0.00 H new ATOM 0 HA LYS A 9 -12.001 -1.052 -2.420 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -14.122 0.318 -2.544 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -13.786 0.809 -0.896 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -11.614 1.748 -1.614 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -11.939 1.248 -3.262 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -14.214 2.571 -2.896 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -13.318 3.363 -1.614 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -12.481 3.224 -4.531 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -13.216 4.609 -3.749 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -10.855 4.878 -3.933 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -11.288 4.765 -2.295 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -10.574 3.438 -3.078 1.00 0.00 H new ATOM 119 N ILE A 10 -10.727 -1.605 -0.348 1.00 0.00 N ATOM 120 CA ILE A 10 -9.878 -1.907 0.764 1.00 0.00 C ATOM 121 C ILE A 10 -8.631 -1.059 0.736 1.00 0.00 C ATOM 122 O ILE A 10 -8.044 -0.870 -0.322 1.00 0.00 O ATOM 123 CB ILE A 10 -9.482 -3.390 0.644 1.00 0.00 C ATOM 124 CG1 ILE A 10 -10.712 -4.251 0.819 1.00 0.00 C ATOM 125 CG2 ILE A 10 -8.372 -3.786 1.608 1.00 0.00 C ATOM 126 CD1 ILE A 10 -10.509 -5.681 0.470 1.00 0.00 C ATOM 0 H ILE A 10 -10.404 -2.022 -1.221 1.00 0.00 H new ATOM 0 HA ILE A 10 -10.403 -1.704 1.698 1.00 0.00 H new ATOM 0 HB ILE A 10 -9.070 -3.551 -0.352 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -11.044 -4.185 1.855 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -11.515 -3.848 0.201 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -8.136 -4.842 1.477 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -7.484 -3.188 1.406 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -8.701 -3.612 2.633 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -11.439 -6.229 0.623 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -10.209 -5.761 -0.575 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -9.730 -6.103 1.105 1.00 0.00 H new ATOM 138 N ARG A 11 -8.234 -0.548 1.881 1.00 0.00 N ATOM 139 CA ARG A 11 -6.982 0.126 2.009 1.00 0.00 C ATOM 140 C ARG A 11 -5.864 -0.841 1.885 1.00 0.00 C ATOM 141 O ARG A 11 -5.862 -1.901 2.491 1.00 0.00 O ATOM 142 CB ARG A 11 -6.854 0.809 3.366 1.00 0.00 C ATOM 143 CG ARG A 11 -7.395 2.233 3.378 1.00 0.00 C ATOM 144 CD ARG A 11 -7.062 2.922 4.691 1.00 0.00 C ATOM 145 NE ARG A 11 -7.648 2.220 5.833 1.00 0.00 N ATOM 146 CZ ARG A 11 -6.971 1.637 6.833 1.00 0.00 C ATOM 147 NH1 ARG A 11 -5.636 1.636 6.853 1.00 0.00 N ATOM 148 NH2 ARG A 11 -7.636 1.040 7.810 1.00 0.00 N ATOM 0 H ARG A 11 -8.777 -0.594 2.743 1.00 0.00 H new ATOM 0 HA ARG A 11 -6.939 0.873 1.217 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -7.386 0.220 4.113 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -5.804 0.824 3.660 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -6.969 2.796 2.548 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -8.475 2.218 3.233 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -5.980 2.973 4.811 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -7.429 3.948 4.667 1.00 0.00 H new ATOM 0 HE ARG A 11 -8.666 2.169 5.872 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -5.114 2.084 6.099 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -5.138 1.188 7.622 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -8.656 1.026 7.798 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -7.128 0.594 8.574 1.00 0.00 H new ATOM 162 N VAL A 12 -4.954 -0.508 1.080 1.00 0.00 N ATOM 163 CA VAL A 12 -3.832 -1.301 0.861 1.00 0.00 C ATOM 164 C VAL A 12 -2.627 -0.543 1.293 1.00 0.00 C ATOM 165 O VAL A 12 -2.449 0.575 0.795 1.00 0.00 O ATOM 166 CB VAL A 12 -3.668 -1.523 -0.680 1.00 0.00 C ATOM 167 CG1 VAL A 12 -2.472 -2.409 -0.950 1.00 0.00 C ATOM 168 CG2 VAL A 12 -4.911 -2.160 -1.258 1.00 0.00 C ATOM 0 H VAL A 12 -4.969 0.354 0.535 1.00 0.00 H new ATOM 0 HA VAL A 12 -3.941 -2.242 1.400 1.00 0.00 H new ATOM 0 HB VAL A 12 -3.515 -0.554 -1.154 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -2.365 -2.558 -2.024 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -1.572 -1.935 -0.558 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -2.616 -3.373 -0.462 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -4.780 -2.307 -2.330 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -5.083 -3.123 -0.778 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -5.768 -1.510 -1.083 1.00 0.00 H new ATOM 178 N GLU A 13 -1.821 -1.052 2.212 1.00 0.00 N ATOM 179 CA GLU A 13 -0.561 -0.408 2.382 1.00 0.00 C ATOM 180 C GLU A 13 0.344 -0.939 1.332 1.00 0.00 C ATOM 181 O GLU A 13 0.186 -2.066 0.908 1.00 0.00 O ATOM 182 CB GLU A 13 0.243 -0.529 3.697 1.00 0.00 C ATOM 183 CG GLU A 13 -0.327 0.283 4.841 1.00 0.00 C ATOM 184 CD GLU A 13 0.626 0.409 6.012 1.00 0.00 C ATOM 185 OE1 GLU A 13 1.433 1.378 6.042 1.00 0.00 O ATOM 186 OE2 GLU A 13 0.566 -0.409 6.934 1.00 0.00 O ATOM 0 H GLU A 13 -2.011 -1.857 2.809 1.00 0.00 H new ATOM 0 HA GLU A 13 -0.852 0.642 2.354 1.00 0.00 H new ATOM 0 HB2 GLU A 13 0.282 -1.577 3.992 1.00 0.00 H new ATOM 0 HB3 GLU A 13 1.269 -0.211 3.515 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -0.583 1.279 4.480 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -1.253 -0.180 5.182 1.00 0.00 H new ATOM 193 N LEU A 14 1.244 -0.156 0.903 1.00 0.00 N ATOM 194 CA LEU A 14 2.217 -0.594 -0.048 1.00 0.00 C ATOM 195 C LEU A 14 3.613 -0.321 0.439 1.00 0.00 C ATOM 196 O LEU A 14 3.959 0.815 0.770 1.00 0.00 O ATOM 197 CB LEU A 14 1.908 0.057 -1.416 1.00 0.00 C ATOM 198 CG LEU A 14 2.960 0.078 -2.564 1.00 0.00 C ATOM 199 CD1 LEU A 14 3.934 1.220 -2.400 1.00 0.00 C ATOM 200 CD2 LEU A 14 3.702 -1.234 -2.697 1.00 0.00 C ATOM 0 H LEU A 14 1.342 0.817 1.193 1.00 0.00 H new ATOM 0 HA LEU A 14 2.160 -1.675 -0.172 1.00 0.00 H new ATOM 0 HB2 LEU A 14 1.020 -0.438 -1.809 1.00 0.00 H new ATOM 0 HB3 LEU A 14 1.634 1.093 -1.219 1.00 0.00 H new ATOM 0 HG LEU A 14 2.400 0.229 -3.487 1.00 0.00 H new ATOM 0 HD11 LEU A 14 4.654 1.205 -3.218 1.00 0.00 H new ATOM 0 HD12 LEU A 14 3.392 2.165 -2.412 1.00 0.00 H new ATOM 0 HD13 LEU A 14 4.461 1.116 -1.451 1.00 0.00 H new ATOM 0 HD21 LEU A 14 4.422 -1.164 -3.512 1.00 0.00 H new ATOM 0 HD22 LEU A 14 4.227 -1.451 -1.767 1.00 0.00 H new ATOM 0 HD23 LEU A 14 2.992 -2.034 -2.909 1.00 0.00 H new ATOM 212 N ILE A 15 4.419 -1.355 0.522 1.00 0.00 N ATOM 213 CA ILE A 15 5.822 -1.137 0.801 1.00 0.00 C ATOM 214 C ILE A 15 6.601 -1.182 -0.507 1.00 0.00 C ATOM 215 O ILE A 15 6.733 -2.246 -1.142 1.00 0.00 O ATOM 216 CB ILE A 15 6.564 -2.141 1.788 1.00 0.00 C ATOM 217 CG1 ILE A 15 6.089 -1.955 3.250 1.00 0.00 C ATOM 218 CG2 ILE A 15 8.089 -1.987 1.734 1.00 0.00 C ATOM 219 CD1 ILE A 15 4.613 -2.176 3.491 1.00 0.00 C ATOM 0 H ILE A 15 4.140 -2.329 0.404 1.00 0.00 H new ATOM 0 HA ILE A 15 5.812 -0.175 1.313 1.00 0.00 H new ATOM 0 HB ILE A 15 6.303 -3.143 1.448 1.00 0.00 H new ATOM 0 HG12 ILE A 15 6.649 -2.641 3.885 1.00 0.00 H new ATOM 0 HG13 ILE A 15 6.344 -0.945 3.570 1.00 0.00 H new ATOM 0 HG21 ILE A 15 8.551 -2.693 2.424 1.00 0.00 H new ATOM 0 HG22 ILE A 15 8.439 -2.188 0.722 1.00 0.00 H new ATOM 0 HG23 ILE A 15 8.362 -0.971 2.018 1.00 0.00 H new ATOM 0 HD11 ILE A 15 4.389 -2.020 4.546 1.00 0.00 H new ATOM 0 HD12 ILE A 15 4.037 -1.472 2.890 1.00 0.00 H new ATOM 0 HD13 ILE A 15 4.347 -3.195 3.210 1.00 0.00 H new ATOM 231 N ASN A 16 7.084 -0.059 -0.925 1.00 0.00 N ATOM 232 CA ASN A 16 7.967 -0.018 -2.062 1.00 0.00 C ATOM 233 C ASN A 16 9.222 0.700 -1.680 1.00 0.00 C ATOM 234 O ASN A 16 10.066 1.010 -2.515 1.00 0.00 O ATOM 235 CB ASN A 16 7.322 0.642 -3.274 1.00 0.00 C ATOM 236 CG ASN A 16 7.188 2.167 -3.190 1.00 0.00 C ATOM 237 OD1 ASN A 16 7.054 2.751 -2.108 1.00 0.00 O ATOM 238 ND2 ASN A 16 7.229 2.812 -4.322 1.00 0.00 N ATOM 0 H ASN A 16 6.887 0.848 -0.501 1.00 0.00 H new ATOM 0 HA ASN A 16 8.196 -1.044 -2.351 1.00 0.00 H new ATOM 0 HB2 ASN A 16 7.908 0.393 -4.159 1.00 0.00 H new ATOM 0 HB3 ASN A 16 6.330 0.213 -3.417 1.00 0.00 H new ATOM 0 HD21 ASN A 16 7.150 3.829 -4.333 1.00 0.00 H new ATOM 0 HD22 ASN A 16 7.341 2.300 -5.197 1.00 0.00 H new ATOM 245 N GLY A 17 9.347 0.908 -0.414 1.00 0.00 N ATOM 246 CA GLY A 17 10.424 1.674 0.121 1.00 0.00 C ATOM 247 C GLY A 17 11.491 0.823 0.723 1.00 0.00 C ATOM 248 O GLY A 17 11.738 0.895 1.923 1.00 0.00 O ATOM 0 H GLY A 17 8.699 0.548 0.287 1.00 0.00 H new ATOM 0 HA2 GLY A 17 10.857 2.287 -0.670 1.00 0.00 H new ATOM 0 HA3 GLY A 17 10.038 2.356 0.878 1.00 0.00 H new ATOM 252 N ASN A 18 12.134 0.017 -0.106 1.00 0.00 N ATOM 253 CA ASN A 18 13.245 -0.793 0.336 1.00 0.00 C ATOM 254 C ASN A 18 14.414 0.127 0.379 1.00 0.00 C ATOM 255 O ASN A 18 15.277 0.065 1.240 1.00 0.00 O ATOM 256 CB ASN A 18 13.516 -1.922 -0.634 1.00 0.00 C ATOM 257 CG ASN A 18 12.375 -2.919 -0.775 1.00 0.00 C ATOM 258 OD1 ASN A 18 11.586 -3.144 0.157 1.00 0.00 O ATOM 259 ND2 ASN A 18 12.294 -3.550 -1.919 1.00 0.00 N ATOM 0 H ASN A 18 11.900 -0.090 -1.093 1.00 0.00 H new ATOM 0 HA ASN A 18 13.039 -1.249 1.304 1.00 0.00 H new ATOM 0 HB2 ASN A 18 13.734 -1.498 -1.614 1.00 0.00 H new ATOM 0 HB3 ASN A 18 14.410 -2.455 -0.311 1.00 0.00 H new ATOM 0 HD21 ASN A 18 11.567 -4.250 -2.065 1.00 0.00 H new ATOM 0 HD22 ASN A 18 12.958 -3.341 -2.665 1.00 0.00 H new ATOM 266 N GLU A 19 14.413 0.991 -0.588 1.00 0.00 N ATOM 267 CA GLU A 19 15.273 2.077 -0.672 1.00 0.00 C ATOM 268 C GLU A 19 14.429 3.286 -0.336 1.00 0.00 C ATOM 269 O GLU A 19 13.621 3.742 -1.150 1.00 0.00 O ATOM 270 CB GLU A 19 15.859 2.150 -2.064 1.00 0.00 C ATOM 271 CG GLU A 19 16.772 0.978 -2.376 1.00 0.00 C ATOM 272 CD GLU A 19 17.296 0.990 -3.777 1.00 0.00 C ATOM 273 OE1 GLU A 19 18.345 1.629 -4.039 1.00 0.00 O ATOM 274 OE2 GLU A 19 16.688 0.344 -4.642 1.00 0.00 O ATOM 0 H GLU A 19 13.765 0.933 -1.374 1.00 0.00 H new ATOM 0 HA GLU A 19 16.119 2.007 0.011 1.00 0.00 H new ATOM 0 HB2 GLU A 19 15.050 2.179 -2.794 1.00 0.00 H new ATOM 0 HB3 GLU A 19 16.418 3.080 -2.170 1.00 0.00 H new ATOM 0 HG2 GLU A 19 17.612 0.987 -1.682 1.00 0.00 H new ATOM 0 HG3 GLU A 19 16.228 0.048 -2.207 1.00 0.00 H new ATOM 281 N HIS A 20 14.542 3.712 0.894 1.00 0.00 N ATOM 282 CA HIS A 20 13.733 4.775 1.452 1.00 0.00 C ATOM 283 C HIS A 20 14.008 6.106 0.781 1.00 0.00 C ATOM 284 O HIS A 20 15.067 6.701 0.976 1.00 0.00 O ATOM 285 CB HIS A 20 13.963 4.886 2.933 1.00 0.00 C ATOM 286 CG HIS A 20 13.549 3.686 3.759 1.00 0.00 C ATOM 287 ND1 HIS A 20 14.448 2.781 4.288 1.00 0.00 N ATOM 288 CD2 HIS A 20 12.328 3.280 4.188 1.00 0.00 C ATOM 289 CE1 HIS A 20 13.804 1.879 4.995 1.00 0.00 C ATOM 290 NE2 HIS A 20 12.521 2.154 4.957 1.00 0.00 N ATOM 0 H HIS A 20 15.214 3.323 1.556 1.00 0.00 H new ATOM 0 HA HIS A 20 12.689 4.521 1.268 1.00 0.00 H new ATOM 0 HB2 HIS A 20 15.023 5.071 3.103 1.00 0.00 H new ATOM 0 HB3 HIS A 20 13.424 5.759 3.300 1.00 0.00 H new ATOM 0 HD2 HIS A 20 11.382 3.751 3.968 1.00 0.00 H new ATOM 0 HE1 HIS A 20 14.255 1.050 5.520 1.00 0.00 H new ATOM 0 HE2 HIS A 20 11.786 1.620 5.422 1.00 0.00 H new ATOM 299 N ARG A 21 13.059 6.564 0.003 1.00 0.00 N ATOM 300 CA ARG A 21 13.204 7.779 -0.770 1.00 0.00 C ATOM 301 C ARG A 21 12.232 8.831 -0.307 1.00 0.00 C ATOM 302 O ARG A 21 11.089 8.511 0.023 1.00 0.00 O ATOM 303 CB ARG A 21 12.980 7.488 -2.244 1.00 0.00 C ATOM 304 CG ARG A 21 14.005 6.559 -2.828 1.00 0.00 C ATOM 305 CD ARG A 21 13.649 6.149 -4.230 1.00 0.00 C ATOM 306 NE ARG A 21 14.675 5.278 -4.788 1.00 0.00 N ATOM 307 CZ ARG A 21 14.454 4.172 -5.497 1.00 0.00 C ATOM 308 NH1 ARG A 21 13.214 3.722 -5.686 1.00 0.00 N ATOM 309 NH2 ARG A 21 15.479 3.500 -5.993 1.00 0.00 N ATOM 0 H ARG A 21 12.157 6.103 -0.115 1.00 0.00 H new ATOM 0 HA ARG A 21 14.216 8.155 -0.624 1.00 0.00 H new ATOM 0 HB2 ARG A 21 11.989 7.053 -2.375 1.00 0.00 H new ATOM 0 HB3 ARG A 21 12.992 8.426 -2.799 1.00 0.00 H new ATOM 0 HG2 ARG A 21 14.980 7.046 -2.828 1.00 0.00 H new ATOM 0 HG3 ARG A 21 14.092 5.672 -2.200 1.00 0.00 H new ATOM 0 HD2 ARG A 21 12.688 5.634 -4.231 1.00 0.00 H new ATOM 0 HD3 ARG A 21 13.537 7.034 -4.856 1.00 0.00 H new ATOM 0 HE ARG A 21 15.647 5.538 -4.621 1.00 0.00 H new ATOM 0 HH11 ARG A 21 12.422 4.226 -5.286 1.00 0.00 H new ATOM 0 HH12 ARG A 21 13.057 2.874 -6.231 1.00 0.00 H new ATOM 0 HH21 ARG A 21 16.431 3.829 -5.832 1.00 0.00 H new ATOM 0 HH22 ARG A 21 15.318 2.652 -6.537 1.00 0.00 H new ATOM 323 N THR A 22 12.676 10.084 -0.308 1.00 0.00 N ATOM 324 CA THR A 22 11.890 11.254 0.130 1.00 0.00 C ATOM 325 C THR A 22 11.351 11.067 1.557 1.00 0.00 C ATOM 326 O THR A 22 11.846 10.207 2.298 1.00 0.00 O ATOM 327 CB THR A 22 10.752 11.638 -0.892 1.00 0.00 C ATOM 328 OG1 THR A 22 9.860 10.529 -1.172 1.00 0.00 O ATOM 329 CG2 THR A 22 11.352 12.139 -2.194 1.00 0.00 C ATOM 0 H THR A 22 13.615 10.330 -0.620 1.00 0.00 H new ATOM 0 HA THR A 22 12.573 12.103 0.151 1.00 0.00 H new ATOM 0 HB THR A 22 10.167 12.429 -0.423 1.00 0.00 H new ATOM 0 HG1 THR A 22 9.994 9.825 -0.504 1.00 0.00 H new ATOM 0 HG21 THR A 22 10.552 12.399 -2.887 1.00 0.00 H new ATOM 0 HG22 THR A 22 11.963 13.020 -1.998 1.00 0.00 H new ATOM 0 HG23 THR A 22 11.972 11.358 -2.633 1.00 0.00 H new ATOM 337 N SER A 23 10.412 11.887 1.962 1.00 0.00 N ATOM 338 CA SER A 23 9.798 11.752 3.258 1.00 0.00 C ATOM 339 C SER A 23 9.034 10.425 3.348 1.00 0.00 C ATOM 340 O SER A 23 7.940 10.266 2.781 1.00 0.00 O ATOM 341 CB SER A 23 8.909 12.969 3.524 1.00 0.00 C ATOM 342 OG SER A 23 8.131 13.282 2.370 1.00 0.00 O ATOM 0 H SER A 23 10.054 12.663 1.405 1.00 0.00 H new ATOM 0 HA SER A 23 10.560 11.724 4.037 1.00 0.00 H new ATOM 0 HB2 SER A 23 8.251 12.768 4.370 1.00 0.00 H new ATOM 0 HB3 SER A 23 9.526 13.825 3.797 1.00 0.00 H new ATOM 0 HG SER A 23 7.727 12.462 2.016 1.00 0.00 H new ATOM 348 N SER A 24 9.617 9.489 4.046 1.00 0.00 N ATOM 349 CA SER A 24 9.130 8.174 4.150 1.00 0.00 C ATOM 350 C SER A 24 9.508 7.624 5.492 1.00 0.00 C ATOM 351 O SER A 24 10.707 7.435 5.807 1.00 0.00 O ATOM 352 CB SER A 24 9.683 7.281 3.030 1.00 0.00 C ATOM 353 OG SER A 24 9.239 7.709 1.746 1.00 0.00 O ATOM 0 H SER A 24 10.477 9.645 4.572 1.00 0.00 H new ATOM 0 HA SER A 24 8.045 8.189 4.046 1.00 0.00 H new ATOM 0 HB2 SER A 24 10.773 7.292 3.060 1.00 0.00 H new ATOM 0 HB3 SER A 24 9.370 6.251 3.198 1.00 0.00 H new ATOM 0 HG SER A 24 9.949 8.225 1.310 1.00 0.00 H new ATOM 359 N THR A 25 8.523 7.467 6.287 1.00 0.00 N ATOM 360 CA THR A 25 8.623 6.857 7.571 1.00 0.00 C ATOM 361 C THR A 25 8.938 5.334 7.431 1.00 0.00 C ATOM 362 O THR A 25 8.926 4.784 6.297 1.00 0.00 O ATOM 363 CB THR A 25 7.298 7.100 8.319 1.00 0.00 C ATOM 364 OG1 THR A 25 6.199 6.994 7.389 1.00 0.00 O ATOM 365 CG2 THR A 25 7.284 8.472 8.975 1.00 0.00 C ATOM 0 H THR A 25 7.577 7.771 6.058 1.00 0.00 H new ATOM 0 HA THR A 25 9.443 7.296 8.140 1.00 0.00 H new ATOM 0 HB THR A 25 7.198 6.348 9.102 1.00 0.00 H new ATOM 0 HG1 THR A 25 5.363 6.865 7.884 1.00 0.00 H new ATOM 0 HG21 THR A 25 6.337 8.617 9.496 1.00 0.00 H new ATOM 0 HG22 THR A 25 8.105 8.543 9.688 1.00 0.00 H new ATOM 0 HG23 THR A 25 7.400 9.241 8.212 1.00 0.00 H new ATOM 373 N PRO A 26 9.257 4.634 8.546 1.00 0.00 N ATOM 374 CA PRO A 26 9.578 3.214 8.520 1.00 0.00 C ATOM 375 C PRO A 26 8.359 2.345 8.173 1.00 0.00 C ATOM 376 O PRO A 26 7.234 2.834 8.053 1.00 0.00 O ATOM 377 CB PRO A 26 10.064 2.924 9.958 1.00 0.00 C ATOM 378 CG PRO A 26 10.329 4.260 10.545 1.00 0.00 C ATOM 379 CD PRO A 26 9.327 5.154 9.914 1.00 0.00 C ATOM 0 HA PRO A 26 10.318 2.979 7.755 1.00 0.00 H new ATOM 0 HB2 PRO A 26 9.309 2.384 10.529 1.00 0.00 H new ATOM 0 HB3 PRO A 26 10.963 2.308 9.955 1.00 0.00 H new ATOM 0 HG2 PRO A 26 10.219 4.245 11.629 1.00 0.00 H new ATOM 0 HG3 PRO A 26 11.345 4.592 10.332 1.00 0.00 H new ATOM 0 HD2 PRO A 26 8.362 5.102 10.418 1.00 0.00 H new ATOM 0 HD3 PRO A 26 9.642 6.197 9.936 1.00 0.00 H new ATOM 387 N GLN A 27 8.594 1.062 8.110 1.00 0.00 N ATOM 388 CA GLN A 27 7.642 0.056 7.685 1.00 0.00 C ATOM 389 C GLN A 27 6.657 -0.361 8.768 1.00 0.00 C ATOM 390 O GLN A 27 6.144 -1.490 8.786 1.00 0.00 O ATOM 391 CB GLN A 27 8.376 -1.127 7.111 1.00 0.00 C ATOM 392 CG GLN A 27 8.724 -0.991 5.633 1.00 0.00 C ATOM 393 CD GLN A 27 9.649 0.166 5.265 1.00 0.00 C ATOM 394 OE1 GLN A 27 10.529 0.573 6.023 1.00 0.00 O ATOM 395 NE2 GLN A 27 9.438 0.713 4.107 1.00 0.00 N ATOM 0 H GLN A 27 9.498 0.664 8.365 1.00 0.00 H new ATOM 0 HA GLN A 27 7.024 0.510 6.910 1.00 0.00 H new ATOM 0 HB2 GLN A 27 9.295 -1.279 7.676 1.00 0.00 H new ATOM 0 HB3 GLN A 27 7.766 -2.020 7.248 1.00 0.00 H new ATOM 0 HG2 GLN A 27 9.189 -1.920 5.303 1.00 0.00 H new ATOM 0 HG3 GLN A 27 7.797 -0.881 5.071 1.00 0.00 H new ATOM 0 HE21 GLN A 27 8.701 0.354 3.500 1.00 0.00 H new ATOM 0 HE22 GLN A 27 10.009 1.502 3.804 1.00 0.00 H new ATOM 404 N GLN A 28 6.369 0.576 9.623 1.00 0.00 N ATOM 405 CA GLN A 28 5.345 0.459 10.639 1.00 0.00 C ATOM 406 C GLN A 28 3.975 0.487 9.910 1.00 0.00 C ATOM 407 O GLN A 28 3.932 0.781 8.701 1.00 0.00 O ATOM 408 CB GLN A 28 5.461 1.651 11.595 1.00 0.00 C ATOM 409 CG GLN A 28 6.815 1.798 12.259 1.00 0.00 C ATOM 410 CD GLN A 28 6.930 3.091 13.037 1.00 0.00 C ATOM 411 OE1 GLN A 28 6.312 4.092 12.693 1.00 0.00 O ATOM 412 NE2 GLN A 28 7.716 3.090 14.074 1.00 0.00 N ATOM 0 H GLN A 28 6.852 1.474 9.639 1.00 0.00 H new ATOM 0 HA GLN A 28 5.449 -0.461 11.214 1.00 0.00 H new ATOM 0 HB2 GLN A 28 5.240 2.565 11.044 1.00 0.00 H new ATOM 0 HB3 GLN A 28 4.700 1.554 12.369 1.00 0.00 H new ATOM 0 HG2 GLN A 28 6.983 0.956 12.930 1.00 0.00 H new ATOM 0 HG3 GLN A 28 7.596 1.761 11.500 1.00 0.00 H new ATOM 0 HE21 GLN A 28 8.216 2.240 14.334 1.00 0.00 H new ATOM 0 HE22 GLN A 28 7.832 3.939 14.627 1.00 0.00 H new ATOM 421 N PRO A 29 2.842 0.208 10.566 1.00 0.00 N ATOM 422 CA PRO A 29 1.581 0.187 9.886 1.00 0.00 C ATOM 423 C PRO A 29 1.025 1.572 9.756 1.00 0.00 C ATOM 424 O PRO A 29 1.403 2.488 10.529 1.00 0.00 O ATOM 425 CB PRO A 29 0.687 -0.661 10.797 1.00 0.00 C ATOM 426 CG PRO A 29 1.568 -1.091 11.918 1.00 0.00 C ATOM 427 CD PRO A 29 2.645 -0.069 11.982 1.00 0.00 C ATOM 0 HA PRO A 29 1.658 -0.210 8.874 1.00 0.00 H new ATOM 0 HB2 PRO A 29 -0.162 -0.084 11.163 1.00 0.00 H new ATOM 0 HB3 PRO A 29 0.282 -1.520 10.262 1.00 0.00 H new ATOM 0 HG2 PRO A 29 1.016 -1.140 12.856 1.00 0.00 H new ATOM 0 HG3 PRO A 29 1.978 -2.085 11.737 1.00 0.00 H new ATOM 0 HD2 PRO A 29 2.341 0.818 12.538 1.00 0.00 H new ATOM 0 HD3 PRO A 29 3.548 -0.450 12.458 1.00 0.00 H new ATOM 435 N GLN A 30 0.140 1.722 8.787 1.00 0.00 N ATOM 436 CA GLN A 30 -0.554 2.931 8.486 1.00 0.00 C ATOM 437 C GLN A 30 0.424 4.065 8.119 1.00 0.00 C ATOM 438 O GLN A 30 0.109 5.254 8.268 1.00 0.00 O ATOM 439 CB GLN A 30 -1.315 3.254 9.698 1.00 0.00 C ATOM 440 CG GLN A 30 -2.407 2.274 10.056 1.00 0.00 C ATOM 441 CD GLN A 30 -2.678 2.311 11.531 1.00 0.00 C ATOM 442 OE1 GLN A 30 -2.091 1.568 12.303 1.00 0.00 O ATOM 443 NE2 GLN A 30 -3.518 3.182 11.943 1.00 0.00 N ATOM 0 H GLN A 30 -0.117 0.956 8.165 1.00 0.00 H new ATOM 0 HA GLN A 30 -1.206 2.814 7.621 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -0.621 3.321 10.536 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -1.761 4.241 9.574 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -3.317 2.516 9.506 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -2.113 1.267 9.759 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -3.993 3.789 11.275 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -3.713 3.270 12.940 1.00 0.00 H new ATOM 452 N GLN A 31 1.575 3.691 7.584 1.00 0.00 N ATOM 453 CA GLN A 31 2.626 4.630 7.284 1.00 0.00 C ATOM 454 C GLN A 31 2.832 4.859 5.845 1.00 0.00 C ATOM 455 O GLN A 31 2.855 5.988 5.323 1.00 0.00 O ATOM 456 CB GLN A 31 3.895 4.174 7.909 1.00 0.00 C ATOM 457 CG GLN A 31 3.926 4.275 9.412 1.00 0.00 C ATOM 458 CD GLN A 31 3.737 5.691 9.910 1.00 0.00 C ATOM 459 OE1 GLN A 31 4.128 6.655 9.247 1.00 0.00 O ATOM 460 NE2 GLN A 31 3.138 5.837 11.062 1.00 0.00 N ATOM 0 H GLN A 31 1.800 2.725 7.348 1.00 0.00 H new ATOM 0 HA GLN A 31 2.311 5.587 7.700 1.00 0.00 H new ATOM 0 HB2 GLN A 31 4.073 3.137 7.624 1.00 0.00 H new ATOM 0 HB3 GLN A 31 4.717 4.762 7.501 1.00 0.00 H new ATOM 0 HG2 GLN A 31 3.144 3.641 9.830 1.00 0.00 H new ATOM 0 HG3 GLN A 31 4.878 3.891 9.778 1.00 0.00 H new ATOM 0 HE21 GLN A 31 2.828 5.017 11.583 1.00 0.00 H new ATOM 0 HE22 GLN A 31 2.980 6.771 11.440 1.00 0.00 H new ATOM 469 N ASN A 32 2.974 3.812 5.276 1.00 0.00 N ATOM 470 CA ASN A 32 3.294 3.594 3.906 1.00 0.00 C ATOM 471 C ASN A 32 2.209 4.120 2.971 1.00 0.00 C ATOM 472 O ASN A 32 1.054 4.294 3.387 1.00 0.00 O ATOM 473 CB ASN A 32 3.451 2.094 3.678 1.00 0.00 C ATOM 474 CG ASN A 32 4.522 1.437 4.519 1.00 0.00 C ATOM 475 OD1 ASN A 32 5.694 1.378 4.135 1.00 0.00 O ATOM 476 ND2 ASN A 32 4.129 0.902 5.641 1.00 0.00 N ATOM 0 H ASN A 32 2.866 2.930 5.777 1.00 0.00 H new ATOM 0 HA ASN A 32 4.216 4.131 3.685 1.00 0.00 H new ATOM 0 HB2 ASN A 32 2.497 1.607 3.883 1.00 0.00 H new ATOM 0 HB3 ASN A 32 3.677 1.922 2.626 1.00 0.00 H new ATOM 0 HD21 ASN A 32 4.799 0.414 6.235 1.00 0.00 H new ATOM 0 HD22 ASN A 32 3.152 0.972 5.924 1.00 0.00 H new ATOM 483 N PRO A 33 2.583 4.437 1.707 1.00 0.00 N ATOM 484 CA PRO A 33 1.636 4.790 0.632 1.00 0.00 C ATOM 485 C PRO A 33 0.462 3.810 0.625 1.00 0.00 C ATOM 486 O PRO A 33 0.655 2.593 0.780 1.00 0.00 O ATOM 487 CB PRO A 33 2.505 4.595 -0.641 1.00 0.00 C ATOM 488 CG PRO A 33 3.833 4.098 -0.184 1.00 0.00 C ATOM 489 CD PRO A 33 3.964 4.516 1.229 1.00 0.00 C ATOM 0 HA PRO A 33 1.206 5.787 0.727 1.00 0.00 H new ATOM 0 HB2 PRO A 33 2.039 3.883 -1.322 1.00 0.00 H new ATOM 0 HB3 PRO A 33 2.610 5.534 -1.185 1.00 0.00 H new ATOM 0 HG2 PRO A 33 3.896 3.014 -0.277 1.00 0.00 H new ATOM 0 HG3 PRO A 33 4.636 4.517 -0.790 1.00 0.00 H new ATOM 0 HD2 PRO A 33 4.626 3.856 1.789 1.00 0.00 H new ATOM 0 HD3 PRO A 33 4.368 5.524 1.319 1.00 0.00 H new ATOM 497 N SER A 34 -0.735 4.306 0.497 1.00 0.00 N ATOM 498 CA SER A 34 -1.887 3.459 0.582 1.00 0.00 C ATOM 499 C SER A 34 -2.998 3.920 -0.334 1.00 0.00 C ATOM 500 O SER A 34 -3.057 5.090 -0.731 1.00 0.00 O ATOM 501 CB SER A 34 -2.369 3.357 2.030 1.00 0.00 C ATOM 502 OG SER A 34 -1.352 2.814 2.848 1.00 0.00 O ATOM 0 H SER A 34 -0.938 5.292 0.334 1.00 0.00 H new ATOM 0 HA SER A 34 -1.593 2.465 0.245 1.00 0.00 H new ATOM 0 HB2 SER A 34 -2.652 4.344 2.397 1.00 0.00 H new ATOM 0 HB3 SER A 34 -3.259 2.730 2.081 1.00 0.00 H new ATOM 0 HG SER A 34 -0.673 3.498 3.023 1.00 0.00 H new ATOM 508 N VAL A 35 -3.861 3.009 -0.664 1.00 0.00 N ATOM 509 CA VAL A 35 -4.955 3.268 -1.544 1.00 0.00 C ATOM 510 C VAL A 35 -6.100 2.420 -1.144 1.00 0.00 C ATOM 511 O VAL A 35 -5.902 1.349 -0.617 1.00 0.00 O ATOM 512 CB VAL A 35 -4.569 2.991 -3.046 1.00 0.00 C ATOM 513 CG1 VAL A 35 -4.110 1.572 -3.269 1.00 0.00 C ATOM 514 CG2 VAL A 35 -5.704 3.287 -3.996 1.00 0.00 C ATOM 0 H VAL A 35 -3.823 2.049 -0.323 1.00 0.00 H new ATOM 0 HA VAL A 35 -5.224 4.322 -1.468 1.00 0.00 H new ATOM 0 HB VAL A 35 -3.743 3.670 -3.256 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -3.856 1.433 -4.320 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -3.233 1.373 -2.654 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -4.909 0.884 -2.995 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -5.387 3.080 -5.018 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -6.560 2.659 -3.747 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -5.987 4.336 -3.910 1.00 0.00 H new ATOM 524 N SER A 36 -7.271 2.900 -1.340 1.00 0.00 N ATOM 525 CA SER A 36 -8.395 2.125 -1.123 1.00 0.00 C ATOM 526 C SER A 36 -8.780 1.584 -2.497 1.00 0.00 C ATOM 527 O SER A 36 -9.316 2.302 -3.343 1.00 0.00 O ATOM 528 CB SER A 36 -9.450 2.943 -0.503 1.00 0.00 C ATOM 529 OG SER A 36 -8.936 3.670 0.605 1.00 0.00 O ATOM 0 H SER A 36 -7.460 3.851 -1.658 1.00 0.00 H new ATOM 0 HA SER A 36 -8.226 1.298 -0.433 1.00 0.00 H new ATOM 0 HB2 SER A 36 -9.861 3.634 -1.239 1.00 0.00 H new ATOM 0 HB3 SER A 36 -10.269 2.302 -0.176 1.00 0.00 H new ATOM 0 HG SER A 36 -9.651 4.209 1.003 1.00 0.00 H new ATOM 535 N HIS A 37 -8.477 0.346 -2.707 1.00 0.00 N ATOM 536 CA HIS A 37 -8.551 -0.270 -3.979 1.00 0.00 C ATOM 537 C HIS A 37 -9.725 -1.230 -4.027 1.00 0.00 C ATOM 538 O HIS A 37 -10.060 -1.850 -3.036 1.00 0.00 O ATOM 539 CB HIS A 37 -7.209 -0.984 -4.237 1.00 0.00 C ATOM 540 CG HIS A 37 -7.147 -1.781 -5.490 1.00 0.00 C ATOM 541 ND1 HIS A 37 -7.553 -3.019 -5.722 1.00 0.00 N flip ATOM 542 CD2 HIS A 37 -6.646 -1.321 -6.666 1.00 0.00 C flip ATOM 543 CE1 HIS A 37 -7.313 -3.301 -7.031 1.00 0.00 C flip ATOM 544 NE2 HIS A 37 -6.757 -2.251 -7.575 1.00 0.00 N flip ATOM 0 H HIS A 37 -8.161 -0.282 -1.968 1.00 0.00 H new ATOM 0 HA HIS A 37 -8.718 0.469 -4.762 1.00 0.00 H new ATOM 0 HB2 HIS A 37 -6.417 -0.236 -4.262 1.00 0.00 H new ATOM 0 HB3 HIS A 37 -6.999 -1.644 -3.395 1.00 0.00 H new ATOM 0 HD1 HIS A 37 -7.972 -3.651 -5.039 1.00 0.00 H new ATOM 0 HD2 HIS A 37 -6.223 -0.340 -6.824 1.00 0.00 H new ATOM 0 HE1 HIS A 37 -7.542 -4.230 -7.533 1.00 0.00 H new ATOM 553 N ILE A 38 -10.300 -1.344 -5.190 1.00 0.00 N ATOM 554 CA ILE A 38 -11.485 -2.176 -5.475 1.00 0.00 C ATOM 555 C ILE A 38 -10.936 -3.619 -5.729 1.00 0.00 C ATOM 556 O ILE A 38 -10.207 -3.872 -6.706 1.00 0.00 O ATOM 557 CB ILE A 38 -12.069 -1.675 -6.736 1.00 0.00 C ATOM 558 CG1 ILE A 38 -12.459 -0.180 -6.618 1.00 0.00 C ATOM 559 CG2 ILE A 38 -13.296 -2.529 -6.994 1.00 0.00 C ATOM 560 CD1 ILE A 38 -13.496 0.128 -5.545 1.00 0.00 C ATOM 0 H ILE A 38 -9.959 -0.849 -6.014 1.00 0.00 H new ATOM 0 HA ILE A 38 -12.224 -2.157 -4.674 1.00 0.00 H new ATOM 0 HB ILE A 38 -11.352 -1.743 -7.555 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -11.560 0.400 -6.411 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -12.842 0.158 -7.581 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -13.776 -2.207 -7.918 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -13.000 -3.574 -7.084 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -13.995 -2.421 -6.165 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -13.705 1.198 -5.537 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -14.414 -0.420 -5.758 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -13.112 -0.174 -4.571 1.00 0.00 H new ATOM 572 N PHE A 39 -11.218 -4.490 -4.849 1.00 0.00 N ATOM 573 CA PHE A 39 -10.843 -5.849 -4.984 1.00 0.00 C ATOM 574 C PHE A 39 -12.074 -6.682 -5.177 1.00 0.00 C ATOM 575 O PHE A 39 -13.126 -6.369 -4.630 1.00 0.00 O ATOM 576 CB PHE A 39 -10.106 -6.333 -3.775 1.00 0.00 C ATOM 577 CG PHE A 39 -8.742 -5.782 -3.565 1.00 0.00 C ATOM 578 CD1 PHE A 39 -7.643 -6.388 -4.140 1.00 0.00 C ATOM 579 CD2 PHE A 39 -8.553 -4.696 -2.755 1.00 0.00 C ATOM 580 CE1 PHE A 39 -6.377 -5.907 -3.914 1.00 0.00 C ATOM 581 CE2 PHE A 39 -7.295 -4.212 -2.511 1.00 0.00 C ATOM 582 CZ PHE A 39 -6.200 -4.819 -3.094 1.00 0.00 C ATOM 0 H PHE A 39 -11.728 -4.282 -3.991 1.00 0.00 H new ATOM 0 HA PHE A 39 -10.182 -5.938 -5.846 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -10.706 -6.103 -2.895 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -10.030 -7.419 -3.834 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -7.781 -7.251 -4.775 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -9.407 -4.214 -2.302 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -5.525 -6.381 -4.378 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -7.160 -3.358 -1.864 1.00 0.00 H new ATOM 0 HZ PHE A 39 -5.207 -4.439 -2.906 1.00 0.00 H new ATOM 592 N ASP A 40 -11.936 -7.712 -5.950 1.00 0.00 N ATOM 593 CA ASP A 40 -12.994 -8.634 -6.258 1.00 0.00 C ATOM 594 C ASP A 40 -12.373 -10.009 -6.394 1.00 0.00 C ATOM 595 O ASP A 40 -11.175 -10.171 -6.128 1.00 0.00 O ATOM 596 CB ASP A 40 -13.707 -8.252 -7.567 1.00 0.00 C ATOM 597 CG ASP A 40 -12.766 -8.207 -8.767 1.00 0.00 C ATOM 598 OD1 ASP A 40 -12.267 -9.267 -9.199 1.00 0.00 O ATOM 599 OD2 ASP A 40 -12.507 -7.097 -9.286 1.00 0.00 O ATOM 0 H ASP A 40 -11.053 -7.947 -6.403 1.00 0.00 H new ATOM 0 HA ASP A 40 -13.741 -8.615 -5.464 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -14.503 -8.970 -7.763 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -14.179 -7.277 -7.446 1.00 0.00 H new ATOM 604 N GLY A 41 -13.135 -10.948 -6.893 1.00 0.00 N ATOM 605 CA GLY A 41 -12.665 -12.300 -6.998 1.00 0.00 C ATOM 606 C GLY A 41 -12.818 -12.829 -8.398 1.00 0.00 C ATOM 607 O GLY A 41 -12.836 -14.045 -8.615 1.00 0.00 O ATOM 0 H GLY A 41 -14.085 -10.798 -7.233 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -11.617 -12.346 -6.703 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -13.219 -12.934 -6.306 1.00 0.00 H new ATOM 611 N GLU A 42 -12.933 -11.919 -9.345 1.00 0.00 N ATOM 612 CA GLU A 42 -13.109 -12.235 -10.716 1.00 0.00 C ATOM 613 C GLU A 42 -11.878 -11.865 -11.512 1.00 0.00 C ATOM 614 O GLU A 42 -11.598 -12.430 -12.562 1.00 0.00 O ATOM 615 CB GLU A 42 -14.316 -11.510 -11.232 1.00 0.00 C ATOM 616 CG GLU A 42 -15.623 -11.949 -10.595 1.00 0.00 C ATOM 617 CD GLU A 42 -16.807 -11.262 -11.200 1.00 0.00 C ATOM 618 OE1 GLU A 42 -17.140 -10.139 -10.778 1.00 0.00 O ATOM 619 OE2 GLU A 42 -17.429 -11.826 -12.132 1.00 0.00 O ATOM 0 H GLU A 42 -12.903 -10.917 -9.159 1.00 0.00 H new ATOM 0 HA GLU A 42 -13.260 -13.309 -10.825 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -14.184 -10.441 -11.064 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -14.382 -11.658 -12.310 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -15.735 -13.027 -10.706 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -15.592 -11.741 -9.526 1.00 0.00 H new ATOM 626 N THR A 43 -11.164 -10.896 -11.013 1.00 0.00 N ATOM 627 CA THR A 43 -9.952 -10.482 -11.552 1.00 0.00 C ATOM 628 C THR A 43 -8.814 -11.099 -10.744 1.00 0.00 C ATOM 629 O THR A 43 -8.890 -11.148 -9.493 1.00 0.00 O ATOM 630 CB THR A 43 -9.884 -8.971 -11.481 1.00 0.00 C ATOM 631 OG1 THR A 43 -10.893 -8.386 -12.315 1.00 0.00 O ATOM 632 CG2 THR A 43 -8.513 -8.437 -11.820 1.00 0.00 C ATOM 0 H THR A 43 -11.444 -10.368 -10.186 1.00 0.00 H new ATOM 0 HA THR A 43 -9.864 -10.800 -12.591 1.00 0.00 H new ATOM 0 HB THR A 43 -10.077 -8.685 -10.447 1.00 0.00 H new ATOM 0 HG1 THR A 43 -10.839 -7.409 -12.258 1.00 0.00 H new ATOM 0 HG21 THR A 43 -8.520 -7.349 -11.754 1.00 0.00 H new ATOM 0 HG22 THR A 43 -7.782 -8.839 -11.118 1.00 0.00 H new ATOM 0 HG23 THR A 43 -8.246 -8.737 -12.833 1.00 0.00 H new ATOM 640 N ALA A 44 -7.824 -11.611 -11.439 1.00 0.00 N ATOM 641 CA ALA A 44 -6.632 -12.152 -10.845 1.00 0.00 C ATOM 642 C ALA A 44 -5.981 -11.163 -9.905 1.00 0.00 C ATOM 643 O ALA A 44 -6.023 -9.938 -10.117 1.00 0.00 O ATOM 644 CB ALA A 44 -5.640 -12.560 -11.916 1.00 0.00 C ATOM 0 H ALA A 44 -7.830 -11.662 -12.458 1.00 0.00 H new ATOM 0 HA ALA A 44 -6.927 -13.030 -10.271 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -4.744 -12.967 -11.446 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -6.089 -13.317 -12.558 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -5.372 -11.689 -12.514 1.00 0.00 H new ATOM 650 N VAL A 45 -5.393 -11.703 -8.867 1.00 0.00 N ATOM 651 CA VAL A 45 -4.670 -10.954 -7.860 1.00 0.00 C ATOM 652 C VAL A 45 -3.643 -10.078 -8.522 1.00 0.00 C ATOM 653 O VAL A 45 -3.627 -8.884 -8.321 1.00 0.00 O ATOM 654 CB VAL A 45 -3.860 -11.890 -6.956 1.00 0.00 C ATOM 655 CG1 VAL A 45 -3.067 -11.068 -5.965 1.00 0.00 C ATOM 656 CG2 VAL A 45 -4.802 -12.802 -6.219 1.00 0.00 C ATOM 0 H VAL A 45 -5.402 -12.708 -8.691 1.00 0.00 H new ATOM 0 HA VAL A 45 -5.409 -10.388 -7.293 1.00 0.00 H new ATOM 0 HB VAL A 45 -3.175 -12.485 -7.560 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -2.490 -11.732 -5.321 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -2.389 -10.405 -6.502 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -3.749 -10.474 -5.356 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -4.231 -13.470 -5.574 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -5.484 -12.207 -5.612 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -5.374 -13.391 -6.936 1.00 0.00 H new ATOM 666 N LYS A 46 -2.815 -10.710 -9.332 1.00 0.00 N ATOM 667 CA LYS A 46 -1.711 -10.054 -10.023 1.00 0.00 C ATOM 668 C LYS A 46 -2.189 -8.883 -10.883 1.00 0.00 C ATOM 669 O LYS A 46 -1.500 -7.910 -11.049 1.00 0.00 O ATOM 670 CB LYS A 46 -0.899 -11.068 -10.851 1.00 0.00 C ATOM 671 CG LYS A 46 -1.710 -11.812 -11.906 1.00 0.00 C ATOM 672 CD LYS A 46 -0.902 -12.891 -12.637 1.00 0.00 C ATOM 673 CE LYS A 46 -0.722 -14.196 -11.827 1.00 0.00 C ATOM 674 NZ LYS A 46 0.161 -14.073 -10.633 1.00 0.00 N ATOM 0 H LYS A 46 -2.888 -11.707 -9.534 1.00 0.00 H new ATOM 0 HA LYS A 46 -1.051 -9.638 -9.262 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -0.080 -10.544 -11.343 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -0.451 -11.796 -10.174 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -2.575 -12.274 -11.431 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -2.091 -11.096 -12.634 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -1.397 -13.125 -13.580 1.00 0.00 H new ATOM 0 HD3 LYS A 46 0.081 -12.490 -12.884 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -1.703 -14.544 -11.502 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -0.314 -14.963 -12.486 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 0.683 -14.962 -10.494 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 0.835 -13.295 -10.778 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -0.418 -13.877 -9.792 1.00 0.00 H new ATOM 688 N ASP A 47 -3.375 -8.983 -11.390 1.00 0.00 N ATOM 689 CA ASP A 47 -3.953 -7.922 -12.170 1.00 0.00 C ATOM 690 C ASP A 47 -4.386 -6.787 -11.278 1.00 0.00 C ATOM 691 O ASP A 47 -4.186 -5.620 -11.605 1.00 0.00 O ATOM 692 CB ASP A 47 -5.077 -8.435 -13.036 1.00 0.00 C ATOM 693 CG ASP A 47 -4.589 -9.251 -14.201 1.00 0.00 C ATOM 694 OD1 ASP A 47 -4.095 -10.361 -14.000 1.00 0.00 O ATOM 695 OD2 ASP A 47 -4.682 -8.777 -15.358 1.00 0.00 O ATOM 0 H ASP A 47 -3.975 -9.800 -11.279 1.00 0.00 H new ATOM 0 HA ASP A 47 -3.193 -7.530 -12.846 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -5.749 -9.042 -12.429 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -5.658 -7.591 -13.407 1.00 0.00 H new ATOM 700 N HIS A 48 -4.931 -7.132 -10.119 1.00 0.00 N ATOM 701 CA HIS A 48 -5.261 -6.146 -9.096 1.00 0.00 C ATOM 702 C HIS A 48 -3.945 -5.461 -8.661 1.00 0.00 C ATOM 703 O HIS A 48 -3.902 -4.255 -8.418 1.00 0.00 O ATOM 704 CB HIS A 48 -5.937 -6.795 -7.866 1.00 0.00 C ATOM 705 CG HIS A 48 -7.310 -7.389 -8.035 1.00 0.00 C ATOM 706 ND1 HIS A 48 -7.727 -8.671 -7.936 1.00 0.00 N flip ATOM 707 CD2 HIS A 48 -8.448 -6.654 -8.262 1.00 0.00 C flip ATOM 708 CE1 HIS A 48 -9.085 -8.675 -8.089 1.00 0.00 C flip ATOM 709 NE2 HIS A 48 -9.490 -7.446 -8.286 1.00 0.00 N flip ATOM 0 H HIS A 48 -5.155 -8.093 -9.862 1.00 0.00 H new ATOM 0 HA HIS A 48 -5.967 -5.426 -9.510 1.00 0.00 H new ATOM 0 HB2 HIS A 48 -5.277 -7.582 -7.501 1.00 0.00 H new ATOM 0 HB3 HIS A 48 -5.996 -6.040 -7.082 1.00 0.00 H new ATOM 0 HD2 HIS A 48 -8.478 -5.583 -8.400 1.00 0.00 H new ATOM 0 HE1 HIS A 48 -9.719 -9.548 -8.053 1.00 0.00 H new ATOM 0 HE2 HIS A 48 -10.456 -7.154 -8.434 1.00 0.00 H new ATOM 718 N ILE A 49 -2.907 -6.260 -8.602 1.00 0.00 N ATOM 719 CA ILE A 49 -1.579 -5.832 -8.249 1.00 0.00 C ATOM 720 C ILE A 49 -0.962 -4.944 -9.315 1.00 0.00 C ATOM 721 O ILE A 49 -0.392 -3.932 -8.971 1.00 0.00 O ATOM 722 CB ILE A 49 -0.694 -7.012 -7.816 1.00 0.00 C ATOM 723 CG1 ILE A 49 -1.267 -7.606 -6.537 1.00 0.00 C ATOM 724 CG2 ILE A 49 0.763 -6.571 -7.607 1.00 0.00 C ATOM 725 CD1 ILE A 49 -0.429 -8.688 -5.961 1.00 0.00 C ATOM 0 H ILE A 49 -2.968 -7.258 -8.805 1.00 0.00 H new ATOM 0 HA ILE A 49 -1.658 -5.196 -7.367 1.00 0.00 H new ATOM 0 HB ILE A 49 -0.690 -7.765 -8.604 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -1.383 -6.814 -5.797 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -2.263 -7.998 -6.742 1.00 0.00 H new ATOM 0 HG21 ILE A 49 1.362 -7.429 -7.301 1.00 0.00 H new ATOM 0 HG22 ILE A 49 1.158 -6.166 -8.539 1.00 0.00 H new ATOM 0 HG23 ILE A 49 0.804 -5.805 -6.832 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -0.897 -9.065 -5.052 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -0.334 -9.499 -6.684 1.00 0.00 H new ATOM 0 HD13 ILE A 49 0.560 -8.295 -5.724 1.00 0.00 H new ATOM 737 N LYS A 50 -1.118 -5.274 -10.603 1.00 0.00 N ATOM 738 CA LYS A 50 -0.637 -4.382 -11.661 1.00 0.00 C ATOM 739 C LYS A 50 -1.290 -3.002 -11.560 1.00 0.00 C ATOM 740 O LYS A 50 -0.658 -1.984 -11.851 1.00 0.00 O ATOM 741 CB LYS A 50 -0.836 -4.977 -13.053 1.00 0.00 C ATOM 742 CG LYS A 50 -0.033 -6.220 -13.318 1.00 0.00 C ATOM 743 CD LYS A 50 -0.194 -6.663 -14.747 1.00 0.00 C ATOM 744 CE LYS A 50 0.582 -7.931 -15.027 1.00 0.00 C ATOM 745 NZ LYS A 50 0.328 -8.430 -16.386 1.00 0.00 N ATOM 0 H LYS A 50 -1.563 -6.131 -10.931 1.00 0.00 H new ATOM 0 HA LYS A 50 0.436 -4.265 -11.511 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -1.893 -5.206 -13.189 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -0.574 -4.225 -13.797 1.00 0.00 H new ATOM 0 HG2 LYS A 50 1.020 -6.031 -13.107 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -0.354 -7.016 -12.647 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -1.250 -6.827 -14.961 1.00 0.00 H new ATOM 0 HD3 LYS A 50 0.147 -5.872 -15.415 1.00 0.00 H new ATOM 0 HE2 LYS A 50 1.648 -7.741 -14.901 1.00 0.00 H new ATOM 0 HE3 LYS A 50 0.306 -8.695 -14.300 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 0.875 -9.300 -16.544 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -0.686 -8.634 -16.497 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 0.614 -7.710 -17.079 1.00 0.00 H new ATOM 759 N VAL A 51 -2.539 -2.973 -11.121 1.00 0.00 N ATOM 760 CA VAL A 51 -3.246 -1.734 -10.883 1.00 0.00 C ATOM 761 C VAL A 51 -2.628 -1.004 -9.708 1.00 0.00 C ATOM 762 O VAL A 51 -2.253 0.168 -9.834 1.00 0.00 O ATOM 763 CB VAL A 51 -4.735 -1.940 -10.612 1.00 0.00 C ATOM 764 CG1 VAL A 51 -5.403 -0.631 -10.278 1.00 0.00 C ATOM 765 CG2 VAL A 51 -5.419 -2.625 -11.760 1.00 0.00 C ATOM 0 H VAL A 51 -3.087 -3.810 -10.921 1.00 0.00 H new ATOM 0 HA VAL A 51 -3.156 -1.144 -11.795 1.00 0.00 H new ATOM 0 HB VAL A 51 -4.826 -2.597 -9.747 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -6.463 -0.801 -10.089 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -4.940 -0.203 -9.389 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -5.290 0.059 -11.114 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -6.476 -2.754 -11.529 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -5.315 -2.019 -12.660 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -4.963 -3.601 -11.926 1.00 0.00 H new ATOM 775 N LEU A 52 -2.533 -1.675 -8.580 1.00 0.00 N ATOM 776 CA LEU A 52 -1.921 -1.110 -7.391 1.00 0.00 C ATOM 777 C LEU A 52 -0.540 -0.584 -7.687 1.00 0.00 C ATOM 778 O LEU A 52 -0.254 0.557 -7.374 1.00 0.00 O ATOM 779 CB LEU A 52 -1.872 -2.167 -6.316 1.00 0.00 C ATOM 780 CG LEU A 52 -3.224 -2.580 -5.822 1.00 0.00 C ATOM 781 CD1 LEU A 52 -3.160 -3.950 -5.249 1.00 0.00 C ATOM 782 CD2 LEU A 52 -3.720 -1.600 -4.797 1.00 0.00 C ATOM 0 H LEU A 52 -2.877 -2.628 -8.459 1.00 0.00 H new ATOM 0 HA LEU A 52 -2.521 -0.267 -7.047 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -1.352 -3.043 -6.703 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -1.286 -1.793 -5.477 1.00 0.00 H new ATOM 0 HG LEU A 52 -3.922 -2.587 -6.659 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -4.148 -4.242 -4.892 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -2.830 -4.650 -6.016 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -2.455 -3.964 -4.418 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -4.704 -1.909 -4.444 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -3.026 -1.570 -3.957 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -3.790 -0.609 -5.245 1.00 0.00 H new ATOM 794 N LEU A 53 0.289 -1.394 -8.341 1.00 0.00 N ATOM 795 CA LEU A 53 1.625 -0.997 -8.701 1.00 0.00 C ATOM 796 C LEU A 53 1.589 0.262 -9.532 1.00 0.00 C ATOM 797 O LEU A 53 2.275 1.204 -9.232 1.00 0.00 O ATOM 798 CB LEU A 53 2.335 -2.128 -9.436 1.00 0.00 C ATOM 799 CG LEU A 53 2.515 -3.404 -8.650 1.00 0.00 C ATOM 800 CD1 LEU A 53 3.237 -4.406 -9.485 1.00 0.00 C ATOM 801 CD2 LEU A 53 3.257 -3.149 -7.356 1.00 0.00 C ATOM 0 H LEU A 53 0.043 -2.341 -8.631 1.00 0.00 H new ATOM 0 HA LEU A 53 2.189 -0.784 -7.793 1.00 0.00 H new ATOM 0 HB2 LEU A 53 1.774 -2.357 -10.342 1.00 0.00 H new ATOM 0 HB3 LEU A 53 3.317 -1.774 -9.749 1.00 0.00 H new ATOM 0 HG LEU A 53 1.532 -3.797 -8.391 1.00 0.00 H new ATOM 0 HD11 LEU A 53 3.367 -5.327 -8.917 1.00 0.00 H new ATOM 0 HD12 LEU A 53 2.659 -4.613 -10.386 1.00 0.00 H new ATOM 0 HD13 LEU A 53 4.214 -4.011 -9.764 1.00 0.00 H new ATOM 0 HD21 LEU A 53 3.372 -4.086 -6.811 1.00 0.00 H new ATOM 0 HD22 LEU A 53 4.241 -2.735 -7.576 1.00 0.00 H new ATOM 0 HD23 LEU A 53 2.694 -2.442 -6.747 1.00 0.00 H new ATOM 813 N THR A 54 0.744 0.283 -10.532 1.00 0.00 N ATOM 814 CA THR A 54 0.572 1.409 -11.353 1.00 0.00 C ATOM 815 C THR A 54 0.115 2.672 -10.606 1.00 0.00 C ATOM 816 O THR A 54 0.610 3.778 -10.870 1.00 0.00 O ATOM 817 CB THR A 54 -0.326 1.037 -12.535 1.00 0.00 C ATOM 818 OG1 THR A 54 0.308 0.066 -13.364 1.00 0.00 O ATOM 819 CG2 THR A 54 -0.801 2.193 -13.329 1.00 0.00 C ATOM 0 H THR A 54 0.154 -0.509 -10.786 1.00 0.00 H new ATOM 0 HA THR A 54 1.551 1.696 -11.737 1.00 0.00 H new ATOM 0 HB THR A 54 -1.225 0.603 -12.098 1.00 0.00 H new ATOM 0 HG1 THR A 54 0.101 -0.833 -13.032 1.00 0.00 H new ATOM 0 HG21 THR A 54 -1.430 1.839 -14.146 1.00 0.00 H new ATOM 0 HG22 THR A 54 -1.378 2.861 -12.690 1.00 0.00 H new ATOM 0 HG23 THR A 54 0.055 2.731 -13.737 1.00 0.00 H new ATOM 827 N HIS A 55 -0.758 2.497 -9.648 1.00 0.00 N ATOM 828 CA HIS A 55 -1.221 3.583 -8.823 1.00 0.00 C ATOM 829 C HIS A 55 -0.145 4.046 -7.831 1.00 0.00 C ATOM 830 O HIS A 55 -0.097 5.208 -7.455 1.00 0.00 O ATOM 831 CB HIS A 55 -2.557 3.188 -8.152 1.00 0.00 C ATOM 832 CG HIS A 55 -3.141 4.240 -7.249 1.00 0.00 C ATOM 833 ND1 HIS A 55 -4.030 5.198 -7.670 1.00 0.00 N ATOM 834 CD2 HIS A 55 -2.932 4.478 -5.943 1.00 0.00 C ATOM 835 CE1 HIS A 55 -4.327 5.986 -6.660 1.00 0.00 C ATOM 836 NE2 HIS A 55 -3.673 5.572 -5.600 1.00 0.00 N ATOM 0 H HIS A 55 -1.170 1.593 -9.417 1.00 0.00 H new ATOM 0 HA HIS A 55 -1.416 4.455 -9.448 1.00 0.00 H new ATOM 0 HB2 HIS A 55 -3.283 2.952 -8.930 1.00 0.00 H new ATOM 0 HB3 HIS A 55 -2.402 2.277 -7.574 1.00 0.00 H new ATOM 0 HD2 HIS A 55 -2.294 3.907 -5.284 1.00 0.00 H new ATOM 0 HE1 HIS A 55 -4.997 6.832 -6.697 1.00 0.00 H new ATOM 0 HE2 HIS A 55 -3.712 5.997 -4.674 1.00 0.00 H new ATOM 845 N PHE A 56 0.696 3.135 -7.419 1.00 0.00 N ATOM 846 CA PHE A 56 1.816 3.444 -6.544 1.00 0.00 C ATOM 847 C PHE A 56 3.059 3.844 -7.327 1.00 0.00 C ATOM 848 O PHE A 56 4.123 4.106 -6.755 1.00 0.00 O ATOM 849 CB PHE A 56 2.105 2.277 -5.645 1.00 0.00 C ATOM 850 CG PHE A 56 1.063 2.077 -4.607 1.00 0.00 C ATOM 851 CD1 PHE A 56 0.785 3.091 -3.724 1.00 0.00 C ATOM 852 CD2 PHE A 56 0.367 0.889 -4.508 1.00 0.00 C ATOM 853 CE1 PHE A 56 -0.164 2.934 -2.748 1.00 0.00 C ATOM 854 CE2 PHE A 56 -0.585 0.718 -3.530 1.00 0.00 C ATOM 855 CZ PHE A 56 -0.848 1.748 -2.646 1.00 0.00 C ATOM 0 H PHE A 56 0.631 2.150 -7.677 1.00 0.00 H new ATOM 0 HA PHE A 56 1.534 4.302 -5.934 1.00 0.00 H new ATOM 0 HB2 PHE A 56 2.189 1.373 -6.247 1.00 0.00 H new ATOM 0 HB3 PHE A 56 3.070 2.428 -5.160 1.00 0.00 H new ATOM 0 HD1 PHE A 56 1.322 4.025 -3.800 1.00 0.00 H new ATOM 0 HD2 PHE A 56 0.571 0.088 -5.203 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -0.373 3.741 -2.061 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -1.124 -0.215 -3.453 1.00 0.00 H new ATOM 0 HZ PHE A 56 -1.592 1.619 -1.874 1.00 0.00 H new ATOM 865 N LYS A 57 2.896 3.861 -8.628 1.00 0.00 N ATOM 866 CA LYS A 57 3.913 4.270 -9.612 1.00 0.00 C ATOM 867 C LYS A 57 5.101 3.298 -9.668 1.00 0.00 C ATOM 868 O LYS A 57 6.248 3.683 -9.926 1.00 0.00 O ATOM 869 CB LYS A 57 4.347 5.721 -9.378 1.00 0.00 C ATOM 870 CG LYS A 57 3.197 6.713 -9.529 1.00 0.00 C ATOM 871 CD LYS A 57 3.641 8.158 -9.360 1.00 0.00 C ATOM 872 CE LYS A 57 4.605 8.591 -10.457 1.00 0.00 C ATOM 873 NZ LYS A 57 4.900 10.036 -10.389 1.00 0.00 N ATOM 0 H LYS A 57 2.018 3.581 -9.066 1.00 0.00 H new ATOM 0 HA LYS A 57 3.452 4.224 -10.599 1.00 0.00 H new ATOM 0 HB2 LYS A 57 4.771 5.812 -8.378 1.00 0.00 H new ATOM 0 HB3 LYS A 57 5.137 5.978 -10.083 1.00 0.00 H new ATOM 0 HG2 LYS A 57 2.743 6.590 -10.512 1.00 0.00 H new ATOM 0 HG3 LYS A 57 2.427 6.485 -8.792 1.00 0.00 H new ATOM 0 HD2 LYS A 57 2.767 8.809 -9.368 1.00 0.00 H new ATOM 0 HD3 LYS A 57 4.120 8.279 -8.388 1.00 0.00 H new ATOM 0 HE2 LYS A 57 5.533 8.026 -10.369 1.00 0.00 H new ATOM 0 HE3 LYS A 57 4.178 8.353 -11.431 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 5.559 10.292 -11.152 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 4.018 10.576 -10.498 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 5.331 10.259 -9.469 1.00 0.00 H new ATOM 887 N ILE A 58 4.791 2.042 -9.481 1.00 0.00 N ATOM 888 CA ILE A 58 5.703 0.968 -9.554 1.00 0.00 C ATOM 889 C ILE A 58 5.464 0.243 -10.872 1.00 0.00 C ATOM 890 O ILE A 58 4.304 0.079 -11.275 1.00 0.00 O ATOM 891 CB ILE A 58 5.415 -0.006 -8.417 1.00 0.00 C ATOM 892 CG1 ILE A 58 5.518 0.742 -7.114 1.00 0.00 C ATOM 893 CG2 ILE A 58 6.387 -1.193 -8.446 1.00 0.00 C ATOM 894 CD1 ILE A 58 5.103 -0.068 -5.970 1.00 0.00 C ATOM 0 H ILE A 58 3.841 1.742 -9.263 1.00 0.00 H new ATOM 0 HA ILE A 58 6.728 1.333 -9.484 1.00 0.00 H new ATOM 0 HB ILE A 58 4.411 -0.414 -8.530 1.00 0.00 H new ATOM 0 HG12 ILE A 58 6.547 1.071 -6.968 1.00 0.00 H new ATOM 0 HG13 ILE A 58 4.900 1.639 -7.164 1.00 0.00 H new ATOM 0 HG21 ILE A 58 6.158 -1.871 -7.624 1.00 0.00 H new ATOM 0 HG22 ILE A 58 6.285 -1.723 -9.393 1.00 0.00 H new ATOM 0 HG23 ILE A 58 7.409 -0.829 -8.342 1.00 0.00 H new ATOM 0 HD11 ILE A 58 5.197 0.518 -5.056 1.00 0.00 H new ATOM 0 HD12 ILE A 58 4.065 -0.376 -6.099 1.00 0.00 H new ATOM 0 HD13 ILE A 58 5.737 -0.952 -5.901 1.00 0.00 H new ATOM 906 N PRO A 59 6.514 -0.139 -11.602 1.00 0.00 N ATOM 907 CA PRO A 59 6.365 -0.940 -12.804 1.00 0.00 C ATOM 908 C PRO A 59 5.691 -2.239 -12.498 1.00 0.00 C ATOM 909 O PRO A 59 6.043 -2.946 -11.533 1.00 0.00 O ATOM 910 CB PRO A 59 7.792 -1.182 -13.259 1.00 0.00 C ATOM 911 CG PRO A 59 8.552 -0.068 -12.679 1.00 0.00 C ATOM 912 CD PRO A 59 7.916 0.201 -11.351 1.00 0.00 C ATOM 0 HA PRO A 59 5.753 -0.448 -13.560 1.00 0.00 H new ATOM 0 HB2 PRO A 59 8.164 -2.144 -12.906 1.00 0.00 H new ATOM 0 HB3 PRO A 59 7.867 -1.191 -14.346 1.00 0.00 H new ATOM 0 HG2 PRO A 59 9.604 -0.328 -12.565 1.00 0.00 H new ATOM 0 HG3 PRO A 59 8.509 0.812 -13.320 1.00 0.00 H new ATOM 0 HD2 PRO A 59 8.348 -0.413 -10.561 1.00 0.00 H new ATOM 0 HD3 PRO A 59 8.034 1.241 -11.047 1.00 0.00 H new ATOM 920 N VAL A 60 4.726 -2.555 -13.312 1.00 0.00 N ATOM 921 CA VAL A 60 3.953 -3.745 -13.174 1.00 0.00 C ATOM 922 C VAL A 60 4.776 -5.005 -13.303 1.00 0.00 C ATOM 923 O VAL A 60 4.289 -6.067 -13.019 1.00 0.00 O ATOM 924 CB VAL A 60 2.807 -3.790 -14.210 1.00 0.00 C ATOM 925 CG1 VAL A 60 1.837 -2.666 -13.975 1.00 0.00 C ATOM 926 CG2 VAL A 60 3.321 -3.746 -15.614 1.00 0.00 C ATOM 0 H VAL A 60 4.452 -1.977 -14.106 1.00 0.00 H new ATOM 0 HA VAL A 60 3.544 -3.711 -12.164 1.00 0.00 H new ATOM 0 HB VAL A 60 2.289 -4.740 -14.078 1.00 0.00 H new ATOM 0 HG11 VAL A 60 1.038 -2.715 -14.714 1.00 0.00 H new ATOM 0 HG12 VAL A 60 1.412 -2.755 -12.975 1.00 0.00 H new ATOM 0 HG13 VAL A 60 2.357 -1.712 -14.065 1.00 0.00 H new ATOM 0 HG21 VAL A 60 2.483 -3.780 -16.310 1.00 0.00 H new ATOM 0 HG22 VAL A 60 3.883 -2.824 -15.767 1.00 0.00 H new ATOM 0 HG23 VAL A 60 3.973 -4.602 -15.790 1.00 0.00 H new ATOM 936 N ASP A 61 6.040 -4.883 -13.721 1.00 0.00 N ATOM 937 CA ASP A 61 6.900 -6.060 -13.852 1.00 0.00 C ATOM 938 C ASP A 61 7.209 -6.643 -12.480 1.00 0.00 C ATOM 939 O ASP A 61 7.554 -7.822 -12.357 1.00 0.00 O ATOM 940 CB ASP A 61 8.220 -5.789 -14.620 1.00 0.00 C ATOM 941 CG ASP A 61 9.257 -4.994 -13.840 1.00 0.00 C ATOM 942 OD1 ASP A 61 10.076 -5.589 -13.103 1.00 0.00 O ATOM 943 OD2 ASP A 61 9.301 -3.770 -13.961 1.00 0.00 O ATOM 0 H ASP A 61 6.483 -3.998 -13.970 1.00 0.00 H new ATOM 0 HA ASP A 61 6.338 -6.778 -14.449 1.00 0.00 H new ATOM 0 HB2 ASP A 61 8.658 -6.744 -14.911 1.00 0.00 H new ATOM 0 HB3 ASP A 61 7.986 -5.252 -15.539 1.00 0.00 H new ATOM 948 N LYS A 62 7.027 -5.837 -11.429 1.00 0.00 N ATOM 949 CA LYS A 62 7.300 -6.286 -10.093 1.00 0.00 C ATOM 950 C LYS A 62 6.141 -7.084 -9.520 1.00 0.00 C ATOM 951 O LYS A 62 6.247 -7.588 -8.436 1.00 0.00 O ATOM 952 CB LYS A 62 7.673 -5.153 -9.128 1.00 0.00 C ATOM 953 CG LYS A 62 9.037 -4.522 -9.326 1.00 0.00 C ATOM 954 CD LYS A 62 9.011 -3.493 -10.411 1.00 0.00 C ATOM 955 CE LYS A 62 10.399 -2.976 -10.727 1.00 0.00 C ATOM 956 NZ LYS A 62 11.286 -4.061 -11.196 1.00 0.00 N ATOM 0 H LYS A 62 6.692 -4.876 -11.495 1.00 0.00 H new ATOM 0 HA LYS A 62 8.173 -6.933 -10.186 1.00 0.00 H new ATOM 0 HB2 LYS A 62 6.919 -4.370 -9.212 1.00 0.00 H new ATOM 0 HB3 LYS A 62 7.620 -5.539 -8.110 1.00 0.00 H new ATOM 0 HG2 LYS A 62 9.365 -4.062 -8.394 1.00 0.00 H new ATOM 0 HG3 LYS A 62 9.765 -5.295 -9.573 1.00 0.00 H new ATOM 0 HD2 LYS A 62 8.570 -3.923 -11.310 1.00 0.00 H new ATOM 0 HD3 LYS A 62 8.373 -2.662 -10.109 1.00 0.00 H new ATOM 0 HE2 LYS A 62 10.335 -2.201 -11.491 1.00 0.00 H new ATOM 0 HE3 LYS A 62 10.827 -2.513 -9.838 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 12.023 -3.664 -11.813 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 11.731 -4.524 -10.378 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 10.729 -4.760 -11.728 1.00 0.00 H new ATOM 970 N VAL A 63 5.029 -7.155 -10.260 1.00 0.00 N ATOM 971 CA VAL A 63 3.800 -7.949 -9.923 1.00 0.00 C ATOM 972 C VAL A 63 4.169 -9.389 -9.509 1.00 0.00 C ATOM 973 O VAL A 63 3.485 -10.036 -8.721 1.00 0.00 O ATOM 974 CB VAL A 63 2.925 -7.946 -11.200 1.00 0.00 C ATOM 975 CG1 VAL A 63 3.333 -8.916 -12.304 1.00 0.00 C ATOM 976 CG2 VAL A 63 1.499 -8.129 -10.839 1.00 0.00 C ATOM 0 H VAL A 63 4.937 -6.652 -11.143 1.00 0.00 H new ATOM 0 HA VAL A 63 3.267 -7.513 -9.078 1.00 0.00 H new ATOM 0 HB VAL A 63 3.092 -6.965 -11.644 1.00 0.00 H new ATOM 0 HG11 VAL A 63 2.645 -8.821 -13.144 1.00 0.00 H new ATOM 0 HG12 VAL A 63 4.345 -8.685 -12.635 1.00 0.00 H new ATOM 0 HG13 VAL A 63 3.300 -9.936 -11.922 1.00 0.00 H new ATOM 0 HG21 VAL A 63 0.891 -8.126 -11.744 1.00 0.00 H new ATOM 0 HG22 VAL A 63 1.374 -9.080 -10.321 1.00 0.00 H new ATOM 0 HG23 VAL A 63 1.182 -7.316 -10.186 1.00 0.00 H new ATOM 986 N SER A 64 5.263 -9.833 -10.068 1.00 0.00 N ATOM 987 CA SER A 64 5.896 -11.083 -9.764 1.00 0.00 C ATOM 988 C SER A 64 6.231 -11.151 -8.267 1.00 0.00 C ATOM 989 O SER A 64 5.878 -12.099 -7.561 1.00 0.00 O ATOM 990 CB SER A 64 7.233 -11.129 -10.538 1.00 0.00 C ATOM 991 OG SER A 64 7.875 -12.390 -10.434 1.00 0.00 O ATOM 0 H SER A 64 5.760 -9.303 -10.784 1.00 0.00 H new ATOM 0 HA SER A 64 5.234 -11.906 -10.034 1.00 0.00 H new ATOM 0 HB2 SER A 64 7.050 -10.903 -11.588 1.00 0.00 H new ATOM 0 HB3 SER A 64 7.897 -10.354 -10.157 1.00 0.00 H new ATOM 0 HG SER A 64 8.714 -12.373 -10.940 1.00 0.00 H new ATOM 997 N SER A 65 6.844 -10.105 -7.794 1.00 0.00 N ATOM 998 CA SER A 65 7.361 -10.024 -6.479 1.00 0.00 C ATOM 999 C SER A 65 6.434 -9.262 -5.555 1.00 0.00 C ATOM 1000 O SER A 65 6.820 -8.910 -4.463 1.00 0.00 O ATOM 1001 CB SER A 65 8.719 -9.343 -6.532 1.00 0.00 C ATOM 1002 OG SER A 65 9.549 -9.991 -7.491 1.00 0.00 O ATOM 0 H SER A 65 6.998 -9.259 -8.342 1.00 0.00 H new ATOM 0 HA SER A 65 7.456 -11.034 -6.079 1.00 0.00 H new ATOM 0 HB2 SER A 65 8.598 -8.292 -6.794 1.00 0.00 H new ATOM 0 HB3 SER A 65 9.190 -9.375 -5.550 1.00 0.00 H new ATOM 0 HG SER A 65 10.422 -9.547 -7.522 1.00 0.00 H new ATOM 1008 N TYR A 66 5.227 -9.020 -5.972 1.00 0.00 N ATOM 1009 CA TYR A 66 4.303 -8.327 -5.138 1.00 0.00 C ATOM 1010 C TYR A 66 3.162 -9.187 -4.779 1.00 0.00 C ATOM 1011 O TYR A 66 2.672 -9.966 -5.601 1.00 0.00 O ATOM 1012 CB TYR A 66 3.831 -7.026 -5.736 1.00 0.00 C ATOM 1013 CG TYR A 66 4.728 -5.868 -5.432 1.00 0.00 C ATOM 1014 CD1 TYR A 66 4.573 -5.181 -4.256 1.00 0.00 C ATOM 1015 CD2 TYR A 66 5.710 -5.457 -6.305 1.00 0.00 C ATOM 1016 CE1 TYR A 66 5.354 -4.114 -3.943 1.00 0.00 C ATOM 1017 CE2 TYR A 66 6.520 -4.378 -6.012 1.00 0.00 C ATOM 1018 CZ TYR A 66 6.329 -3.702 -4.817 1.00 0.00 C ATOM 1019 OH TYR A 66 7.124 -2.622 -4.489 1.00 0.00 O ATOM 0 H TYR A 66 4.863 -9.294 -6.885 1.00 0.00 H new ATOM 0 HA TYR A 66 4.844 -8.071 -4.227 1.00 0.00 H new ATOM 0 HB2 TYR A 66 3.752 -7.140 -6.817 1.00 0.00 H new ATOM 0 HB3 TYR A 66 2.830 -6.807 -5.365 1.00 0.00 H new ATOM 0 HD1 TYR A 66 3.810 -5.496 -3.560 1.00 0.00 H new ATOM 0 HD2 TYR A 66 5.849 -5.988 -7.235 1.00 0.00 H new ATOM 0 HE1 TYR A 66 5.208 -3.592 -3.009 1.00 0.00 H new ATOM 0 HE2 TYR A 66 7.290 -4.066 -6.702 1.00 0.00 H new ATOM 0 HH TYR A 66 7.766 -2.457 -5.211 1.00 0.00 H new ATOM 1029 N ALA A 67 2.752 -9.069 -3.558 1.00 0.00 N ATOM 1030 CA ALA A 67 1.680 -9.832 -3.057 1.00 0.00 C ATOM 1031 C ALA A 67 1.061 -9.118 -1.890 1.00 0.00 C ATOM 1032 O ALA A 67 1.717 -8.318 -1.204 1.00 0.00 O ATOM 1033 CB ALA A 67 2.162 -11.207 -2.660 1.00 0.00 C ATOM 0 H ALA A 67 3.165 -8.429 -2.880 1.00 0.00 H new ATOM 0 HA ALA A 67 0.923 -9.953 -3.832 1.00 0.00 H new ATOM 0 HB1 ALA A 67 1.325 -11.789 -2.274 1.00 0.00 H new ATOM 0 HB2 ALA A 67 2.583 -11.710 -3.530 1.00 0.00 H new ATOM 0 HB3 ALA A 67 2.927 -11.116 -1.889 1.00 0.00 H new ATOM 1039 N LEU A 68 -0.192 -9.382 -1.708 1.00 0.00 N ATOM 1040 CA LEU A 68 -0.976 -8.817 -0.655 1.00 0.00 C ATOM 1041 C LEU A 68 -0.748 -9.616 0.606 1.00 0.00 C ATOM 1042 O LEU A 68 -0.846 -10.822 0.582 1.00 0.00 O ATOM 1043 CB LEU A 68 -2.451 -8.923 -1.062 1.00 0.00 C ATOM 1044 CG LEU A 68 -2.829 -8.236 -2.386 1.00 0.00 C ATOM 1045 CD1 LEU A 68 -4.250 -8.588 -2.765 1.00 0.00 C ATOM 1046 CD2 LEU A 68 -2.673 -6.717 -2.284 1.00 0.00 C ATOM 0 H LEU A 68 -0.717 -10.018 -2.308 1.00 0.00 H new ATOM 0 HA LEU A 68 -0.702 -7.777 -0.480 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -2.714 -9.978 -1.134 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -3.060 -8.496 -0.265 1.00 0.00 H new ATOM 0 HG LEU A 68 -2.151 -8.595 -3.160 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -4.509 -8.097 -3.703 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -4.338 -9.668 -2.884 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -4.929 -8.253 -1.981 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -2.947 -6.258 -3.234 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -3.323 -6.337 -1.496 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -1.637 -6.473 -2.049 1.00 0.00 H new ATOM 1058 N GLN A 69 -0.418 -8.974 1.668 1.00 0.00 N ATOM 1059 CA GLN A 69 -0.185 -9.660 2.920 1.00 0.00 C ATOM 1060 C GLN A 69 -1.294 -9.306 3.896 1.00 0.00 C ATOM 1061 O GLN A 69 -1.817 -8.180 3.868 1.00 0.00 O ATOM 1062 CB GLN A 69 1.174 -9.252 3.526 1.00 0.00 C ATOM 1063 CG GLN A 69 1.528 -10.017 4.794 1.00 0.00 C ATOM 1064 CD GLN A 69 2.585 -9.351 5.648 1.00 0.00 C ATOM 1065 OE1 GLN A 69 2.150 -8.579 6.600 1.00 0.00 O flip ATOM 1066 NE2 GLN A 69 3.777 -9.572 5.487 1.00 0.00 N flip ATOM 0 H GLN A 69 -0.298 -7.962 1.710 1.00 0.00 H new ATOM 0 HA GLN A 69 -0.174 -10.734 2.732 1.00 0.00 H new ATOM 0 HB2 GLN A 69 1.956 -9.412 2.784 1.00 0.00 H new ATOM 0 HB3 GLN A 69 1.158 -8.185 3.747 1.00 0.00 H new ATOM 0 HG2 GLN A 69 0.625 -10.147 5.390 1.00 0.00 H new ATOM 0 HG3 GLN A 69 1.874 -11.013 4.519 1.00 0.00 H new ATOM 0 HE21 GLN A 69 4.085 -10.183 4.730 1.00 0.00 H new ATOM 0 HE22 GLN A 69 4.463 -9.146 6.110 1.00 0.00 H new ATOM 1075 N ASN A 70 -1.676 -10.264 4.710 1.00 0.00 N ATOM 1076 CA ASN A 70 -2.625 -10.055 5.778 1.00 0.00 C ATOM 1077 C ASN A 70 -1.913 -9.283 6.875 1.00 0.00 C ATOM 1078 O ASN A 70 -0.855 -9.704 7.340 1.00 0.00 O ATOM 1079 CB ASN A 70 -3.119 -11.413 6.331 1.00 0.00 C ATOM 1080 CG ASN A 70 -4.240 -11.312 7.400 1.00 0.00 C ATOM 1081 OD1 ASN A 70 -4.314 -10.364 8.189 1.00 0.00 O ATOM 1082 ND2 ASN A 70 -5.095 -12.304 7.448 1.00 0.00 N ATOM 0 H ASN A 70 -1.331 -11.222 4.647 1.00 0.00 H new ATOM 0 HA ASN A 70 -3.491 -9.503 5.413 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -3.482 -12.017 5.500 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -2.271 -11.943 6.764 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -5.839 -12.303 8.146 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -5.017 -13.077 6.787 1.00 0.00 H new ATOM 1089 N PRO A 71 -2.462 -8.148 7.288 1.00 0.00 N ATOM 1090 CA PRO A 71 -1.863 -7.296 8.319 1.00 0.00 C ATOM 1091 C PRO A 71 -1.694 -7.967 9.695 1.00 0.00 C ATOM 1092 O PRO A 71 -0.897 -7.509 10.502 1.00 0.00 O ATOM 1093 CB PRO A 71 -2.837 -6.126 8.426 1.00 0.00 C ATOM 1094 CG PRO A 71 -4.108 -6.611 7.834 1.00 0.00 C ATOM 1095 CD PRO A 71 -3.713 -7.565 6.763 1.00 0.00 C ATOM 0 HA PRO A 71 -0.846 -7.024 8.037 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -2.977 -5.826 9.465 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -2.463 -5.254 7.890 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -4.729 -7.100 8.585 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -4.691 -5.785 7.427 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -4.476 -8.326 6.598 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -3.555 -7.060 5.810 1.00 0.00 H new ATOM 1103 N PHE A 72 -2.421 -9.037 9.974 1.00 0.00 N ATOM 1104 CA PHE A 72 -2.308 -9.633 11.284 1.00 0.00 C ATOM 1105 C PHE A 72 -1.532 -10.919 11.277 1.00 0.00 C ATOM 1106 O PHE A 72 -0.670 -11.140 12.117 1.00 0.00 O ATOM 1107 CB PHE A 72 -3.662 -9.867 11.924 1.00 0.00 C ATOM 1108 CG PHE A 72 -4.424 -8.619 12.244 1.00 0.00 C ATOM 1109 CD1 PHE A 72 -5.250 -8.032 11.301 1.00 0.00 C ATOM 1110 CD2 PHE A 72 -4.328 -8.042 13.496 1.00 0.00 C ATOM 1111 CE1 PHE A 72 -5.964 -6.895 11.603 1.00 0.00 C ATOM 1112 CE2 PHE A 72 -5.039 -6.902 13.800 1.00 0.00 C ATOM 1113 CZ PHE A 72 -5.858 -6.331 12.855 1.00 0.00 C ATOM 0 H PHE A 72 -3.071 -9.493 9.334 1.00 0.00 H new ATOM 0 HA PHE A 72 -1.755 -8.906 11.879 1.00 0.00 H new ATOM 0 HB2 PHE A 72 -4.264 -10.483 11.256 1.00 0.00 H new ATOM 0 HB3 PHE A 72 -3.521 -10.437 12.843 1.00 0.00 H new ATOM 0 HD1 PHE A 72 -5.335 -8.471 10.318 1.00 0.00 H new ATOM 0 HD2 PHE A 72 -3.689 -8.489 14.243 1.00 0.00 H new ATOM 0 HE1 PHE A 72 -6.606 -6.446 10.860 1.00 0.00 H new ATOM 0 HE2 PHE A 72 -4.953 -6.457 14.780 1.00 0.00 H new ATOM 0 HZ PHE A 72 -6.419 -5.440 13.095 1.00 0.00 H new ATOM 1123 N THR A 73 -1.817 -11.752 10.334 1.00 0.00 N ATOM 1124 CA THR A 73 -1.241 -13.082 10.301 1.00 0.00 C ATOM 1125 C THR A 73 0.052 -13.084 9.509 1.00 0.00 C ATOM 1126 O THR A 73 0.844 -14.028 9.591 1.00 0.00 O ATOM 1127 CB THR A 73 -2.236 -14.055 9.679 1.00 0.00 C ATOM 1128 OG1 THR A 73 -2.428 -13.691 8.302 1.00 0.00 O ATOM 1129 CG2 THR A 73 -3.573 -13.954 10.392 1.00 0.00 C ATOM 0 H THR A 73 -2.451 -11.546 9.562 1.00 0.00 H new ATOM 0 HA THR A 73 -1.019 -13.394 11.321 1.00 0.00 H new ATOM 0 HB THR A 73 -1.853 -15.072 9.765 1.00 0.00 H new ATOM 0 HG1 THR A 73 -3.065 -14.309 7.886 1.00 0.00 H new ATOM 0 HG21 THR A 73 -4.279 -14.652 9.942 1.00 0.00 H new ATOM 0 HG22 THR A 73 -3.443 -14.199 11.446 1.00 0.00 H new ATOM 0 HG23 THR A 73 -3.958 -12.939 10.300 1.00 0.00 H new ATOM 1137 N LEU A 74 0.251 -12.008 8.750 1.00 0.00 N ATOM 1138 CA LEU A 74 1.406 -11.800 7.892 1.00 0.00 C ATOM 1139 C LEU A 74 1.449 -12.825 6.765 1.00 0.00 C ATOM 1140 O LEU A 74 2.480 -13.029 6.121 1.00 0.00 O ATOM 1141 CB LEU A 74 2.719 -11.772 8.676 1.00 0.00 C ATOM 1142 CG LEU A 74 2.785 -10.860 9.883 1.00 0.00 C ATOM 1143 CD1 LEU A 74 4.210 -10.602 10.250 1.00 0.00 C ATOM 1144 CD2 LEU A 74 2.005 -9.564 9.714 1.00 0.00 C ATOM 0 H LEU A 74 -0.412 -11.234 8.717 1.00 0.00 H new ATOM 0 HA LEU A 74 1.292 -10.814 7.443 1.00 0.00 H new ATOM 0 HB2 LEU A 74 2.936 -12.787 9.008 1.00 0.00 H new ATOM 0 HB3 LEU A 74 3.516 -11.483 7.990 1.00 0.00 H new ATOM 0 HG LEU A 74 2.293 -11.382 10.703 1.00 0.00 H new ATOM 0 HD11 LEU A 74 4.249 -9.945 11.119 1.00 0.00 H new ATOM 0 HD12 LEU A 74 4.701 -11.546 10.486 1.00 0.00 H new ATOM 0 HD13 LEU A 74 4.721 -10.126 9.413 1.00 0.00 H new ATOM 0 HD21 LEU A 74 2.099 -8.962 10.618 1.00 0.00 H new ATOM 0 HD22 LEU A 74 2.403 -9.008 8.865 1.00 0.00 H new ATOM 0 HD23 LEU A 74 0.954 -9.792 9.537 1.00 0.00 H new ATOM 1156 N ALA A 75 0.303 -13.441 6.509 1.00 0.00 N ATOM 1157 CA ALA A 75 0.183 -14.389 5.445 1.00 0.00 C ATOM 1158 C ALA A 75 0.084 -13.673 4.142 1.00 0.00 C ATOM 1159 O ALA A 75 -0.639 -12.685 4.026 1.00 0.00 O ATOM 1160 CB ALA A 75 -1.043 -15.237 5.630 1.00 0.00 C ATOM 0 H ALA A 75 -0.556 -13.289 7.037 1.00 0.00 H new ATOM 0 HA ALA A 75 1.066 -15.029 5.453 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -1.118 -15.952 4.811 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -0.974 -15.774 6.576 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -1.928 -14.601 5.638 1.00 0.00 H new ATOM 1166 N TYR A 76 0.782 -14.153 3.183 1.00 0.00 N ATOM 1167 CA TYR A 76 0.764 -13.568 1.885 1.00 0.00 C ATOM 1168 C TYR A 76 -0.266 -14.233 1.028 1.00 0.00 C ATOM 1169 O TYR A 76 -0.537 -15.430 1.181 1.00 0.00 O ATOM 1170 CB TYR A 76 2.108 -13.677 1.213 1.00 0.00 C ATOM 1171 CG TYR A 76 3.079 -12.579 1.537 1.00 0.00 C ATOM 1172 CD1 TYR A 76 3.524 -12.351 2.812 1.00 0.00 C ATOM 1173 CD2 TYR A 76 3.569 -11.802 0.531 1.00 0.00 C ATOM 1174 CE1 TYR A 76 4.446 -11.358 3.072 1.00 0.00 C ATOM 1175 CE2 TYR A 76 4.501 -10.814 0.760 1.00 0.00 C ATOM 1176 CZ TYR A 76 4.938 -10.595 2.039 1.00 0.00 C ATOM 1177 OH TYR A 76 5.890 -9.622 2.287 1.00 0.00 O ATOM 0 H TYR A 76 1.388 -14.969 3.271 1.00 0.00 H new ATOM 0 HA TYR A 76 0.518 -12.513 2.007 1.00 0.00 H new ATOM 0 HB2 TYR A 76 2.558 -14.631 1.490 1.00 0.00 H new ATOM 0 HB3 TYR A 76 1.955 -13.698 0.134 1.00 0.00 H new ATOM 0 HD1 TYR A 76 3.149 -12.956 3.624 1.00 0.00 H new ATOM 0 HD2 TYR A 76 3.216 -11.966 -0.476 1.00 0.00 H new ATOM 0 HE1 TYR A 76 4.780 -11.180 4.084 1.00 0.00 H new ATOM 0 HE2 TYR A 76 4.882 -10.220 -0.058 1.00 0.00 H new ATOM 0 HH TYR A 76 6.129 -9.177 1.447 1.00 0.00 H new ATOM 1187 N VAL A 77 -0.838 -13.480 0.151 1.00 0.00 N ATOM 1188 CA VAL A 77 -1.770 -13.981 -0.800 1.00 0.00 C ATOM 1189 C VAL A 77 -0.987 -14.322 -2.039 1.00 0.00 C ATOM 1190 O VAL A 77 -0.506 -13.443 -2.754 1.00 0.00 O ATOM 1191 CB VAL A 77 -2.887 -12.947 -1.134 1.00 0.00 C ATOM 1192 CG1 VAL A 77 -3.856 -13.512 -2.171 1.00 0.00 C ATOM 1193 CG2 VAL A 77 -3.650 -12.548 0.131 1.00 0.00 C ATOM 0 H VAL A 77 -0.667 -12.477 0.074 1.00 0.00 H new ATOM 0 HA VAL A 77 -2.278 -14.855 -0.391 1.00 0.00 H new ATOM 0 HB VAL A 77 -2.409 -12.060 -1.550 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -4.627 -12.773 -2.389 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -3.312 -13.750 -3.085 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -4.321 -14.417 -1.780 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -4.425 -11.826 -0.124 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -4.109 -13.432 0.573 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -2.960 -12.102 0.847 1.00 0.00 H new ATOM 1203 N GLU A 78 -0.815 -15.586 -2.238 1.00 0.00 N ATOM 1204 CA GLU A 78 -0.025 -16.129 -3.308 1.00 0.00 C ATOM 1205 C GLU A 78 -0.929 -16.732 -4.356 1.00 0.00 C ATOM 1206 O GLU A 78 -0.486 -17.466 -5.245 1.00 0.00 O ATOM 1207 CB GLU A 78 0.868 -17.164 -2.725 1.00 0.00 C ATOM 1208 CG GLU A 78 1.833 -16.566 -1.714 1.00 0.00 C ATOM 1209 CD GLU A 78 2.975 -17.453 -1.384 1.00 0.00 C ATOM 1210 OE1 GLU A 78 2.889 -18.245 -0.443 1.00 0.00 O ATOM 1211 OE2 GLU A 78 4.026 -17.335 -2.044 1.00 0.00 O ATOM 0 H GLU A 78 -1.233 -16.300 -1.642 1.00 0.00 H new ATOM 0 HA GLU A 78 0.569 -15.351 -3.788 1.00 0.00 H new ATOM 0 HB2 GLU A 78 0.266 -17.935 -2.243 1.00 0.00 H new ATOM 0 HB3 GLU A 78 1.430 -17.651 -3.522 1.00 0.00 H new ATOM 0 HG2 GLU A 78 2.217 -15.624 -2.105 1.00 0.00 H new ATOM 0 HG3 GLU A 78 1.289 -16.333 -0.799 1.00 0.00 H new ATOM 1218 N ASP A 79 -2.197 -16.401 -4.246 1.00 0.00 N ATOM 1219 CA ASP A 79 -3.198 -16.837 -5.151 1.00 0.00 C ATOM 1220 C ASP A 79 -3.106 -16.182 -6.454 1.00 0.00 C ATOM 1221 O ASP A 79 -2.456 -15.136 -6.637 1.00 0.00 O ATOM 1222 CB ASP A 79 -4.627 -16.555 -4.650 1.00 0.00 C ATOM 1223 CG ASP A 79 -5.128 -17.542 -3.654 1.00 0.00 C ATOM 1224 OD1 ASP A 79 -5.572 -18.635 -4.071 1.00 0.00 O ATOM 1225 OD2 ASP A 79 -5.102 -17.275 -2.451 1.00 0.00 O ATOM 0 H ASP A 79 -2.554 -15.805 -3.499 1.00 0.00 H new ATOM 0 HA ASP A 79 -3.017 -17.909 -5.233 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -4.655 -15.560 -4.205 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -5.304 -16.541 -5.504 1.00 0.00 H new ATOM 1230 N SER A 80 -3.771 -16.786 -7.352 1.00 0.00 N ATOM 1231 CA SER A 80 -3.945 -16.287 -8.626 1.00 0.00 C ATOM 1232 C SER A 80 -5.167 -15.403 -8.648 1.00 0.00 C ATOM 1233 O SER A 80 -5.168 -14.347 -9.253 1.00 0.00 O ATOM 1234 CB SER A 80 -4.071 -17.427 -9.563 1.00 0.00 C ATOM 1235 OG SER A 80 -2.864 -18.195 -9.578 1.00 0.00 O ATOM 0 H SER A 80 -4.227 -17.686 -7.199 1.00 0.00 H new ATOM 0 HA SER A 80 -3.092 -15.682 -8.933 1.00 0.00 H new ATOM 0 HB2 SER A 80 -4.908 -18.059 -9.267 1.00 0.00 H new ATOM 0 HB3 SER A 80 -4.288 -17.060 -10.566 1.00 0.00 H new ATOM 0 HG SER A 80 -2.962 -18.946 -10.200 1.00 0.00 H new ATOM 1241 N PHE A 81 -6.189 -15.819 -7.934 1.00 0.00 N ATOM 1242 CA PHE A 81 -7.422 -15.106 -7.818 1.00 0.00 C ATOM 1243 C PHE A 81 -7.838 -15.006 -6.347 1.00 0.00 C ATOM 1244 O PHE A 81 -7.563 -15.896 -5.554 1.00 0.00 O ATOM 1245 CB PHE A 81 -8.491 -15.813 -8.587 1.00 0.00 C ATOM 1246 CG PHE A 81 -8.328 -15.806 -10.073 1.00 0.00 C ATOM 1247 CD1 PHE A 81 -7.542 -16.755 -10.689 1.00 0.00 C ATOM 1248 CD2 PHE A 81 -8.960 -14.857 -10.851 1.00 0.00 C ATOM 1249 CE1 PHE A 81 -7.384 -16.764 -12.059 1.00 0.00 C ATOM 1250 CE2 PHE A 81 -8.811 -14.857 -12.222 1.00 0.00 C ATOM 1251 CZ PHE A 81 -8.022 -15.812 -12.827 1.00 0.00 C ATOM 0 H PHE A 81 -6.175 -16.691 -7.405 1.00 0.00 H new ATOM 0 HA PHE A 81 -7.285 -14.103 -8.221 1.00 0.00 H new ATOM 0 HB2 PHE A 81 -8.533 -16.848 -8.249 1.00 0.00 H new ATOM 0 HB3 PHE A 81 -9.451 -15.358 -8.342 1.00 0.00 H new ATOM 0 HD1 PHE A 81 -7.042 -17.503 -10.091 1.00 0.00 H new ATOM 0 HD2 PHE A 81 -9.578 -14.106 -10.381 1.00 0.00 H new ATOM 0 HE1 PHE A 81 -6.764 -17.513 -12.529 1.00 0.00 H new ATOM 0 HE2 PHE A 81 -9.311 -14.110 -12.821 1.00 0.00 H new ATOM 0 HZ PHE A 81 -7.904 -15.815 -13.900 1.00 0.00 H new ATOM 1261 N LEU A 82 -8.517 -13.936 -6.023 1.00 0.00 N ATOM 1262 CA LEU A 82 -8.982 -13.647 -4.666 1.00 0.00 C ATOM 1263 C LEU A 82 -10.311 -14.292 -4.382 1.00 0.00 C ATOM 1264 O LEU A 82 -11.117 -14.542 -5.288 1.00 0.00 O ATOM 1265 CB LEU A 82 -9.125 -12.142 -4.503 1.00 0.00 C ATOM 1266 CG LEU A 82 -7.828 -11.408 -4.190 1.00 0.00 C ATOM 1267 CD1 LEU A 82 -8.045 -9.914 -4.137 1.00 0.00 C ATOM 1268 CD2 LEU A 82 -7.252 -11.919 -2.867 1.00 0.00 C ATOM 0 H LEU A 82 -8.774 -13.218 -6.700 1.00 0.00 H new ATOM 0 HA LEU A 82 -8.250 -14.050 -3.966 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -9.547 -11.730 -5.419 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -9.840 -11.943 -3.705 1.00 0.00 H new ATOM 0 HG LEU A 82 -7.115 -11.608 -4.990 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -7.101 -9.417 -3.912 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -8.417 -9.566 -5.101 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -8.773 -9.679 -3.360 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -6.324 -11.392 -2.646 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -7.969 -11.742 -2.065 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -7.052 -12.988 -2.946 1.00 0.00 H new ATOM 1280 N THR A 83 -10.531 -14.568 -3.138 1.00 0.00 N ATOM 1281 CA THR A 83 -11.773 -15.092 -2.692 1.00 0.00 C ATOM 1282 C THR A 83 -12.562 -13.958 -2.025 1.00 0.00 C ATOM 1283 O THR A 83 -11.952 -12.970 -1.572 1.00 0.00 O ATOM 1284 CB THR A 83 -11.542 -16.233 -1.674 1.00 0.00 C ATOM 1285 OG1 THR A 83 -10.748 -15.751 -0.574 1.00 0.00 O ATOM 1286 CG2 THR A 83 -10.830 -17.399 -2.331 1.00 0.00 C ATOM 0 H THR A 83 -9.843 -14.433 -2.397 1.00 0.00 H new ATOM 0 HA THR A 83 -12.328 -15.495 -3.539 1.00 0.00 H new ATOM 0 HB THR A 83 -12.512 -16.571 -1.309 1.00 0.00 H new ATOM 0 HG1 THR A 83 -10.606 -16.476 0.069 1.00 0.00 H new ATOM 0 HG21 THR A 83 -10.677 -18.191 -1.598 1.00 0.00 H new ATOM 0 HG22 THR A 83 -11.436 -17.778 -3.154 1.00 0.00 H new ATOM 0 HG23 THR A 83 -9.865 -17.067 -2.714 1.00 0.00 H new ATOM 1294 N PRO A 84 -13.912 -14.044 -1.962 1.00 0.00 N ATOM 1295 CA PRO A 84 -14.724 -13.055 -1.234 1.00 0.00 C ATOM 1296 C PRO A 84 -14.328 -13.058 0.233 1.00 0.00 C ATOM 1297 O PRO A 84 -14.359 -12.029 0.889 1.00 0.00 O ATOM 1298 CB PRO A 84 -16.165 -13.554 -1.417 1.00 0.00 C ATOM 1299 CG PRO A 84 -16.111 -14.425 -2.628 1.00 0.00 C ATOM 1300 CD PRO A 84 -14.755 -15.073 -2.606 1.00 0.00 C ATOM 0 HA PRO A 84 -14.595 -12.034 -1.594 1.00 0.00 H new ATOM 0 HB2 PRO A 84 -16.506 -14.110 -0.544 1.00 0.00 H new ATOM 0 HB3 PRO A 84 -16.857 -12.724 -1.556 1.00 0.00 H new ATOM 0 HG2 PRO A 84 -16.903 -15.174 -2.607 1.00 0.00 H new ATOM 0 HG3 PRO A 84 -16.250 -13.840 -3.537 1.00 0.00 H new ATOM 0 HD2 PRO A 84 -14.761 -16.004 -2.039 1.00 0.00 H new ATOM 0 HD3 PRO A 84 -14.405 -15.313 -3.610 1.00 0.00 H new ATOM 1308 N GLU A 85 -13.917 -14.225 0.720 1.00 0.00 N ATOM 1309 CA GLU A 85 -13.424 -14.367 2.064 1.00 0.00 C ATOM 1310 C GLU A 85 -12.180 -13.528 2.291 1.00 0.00 C ATOM 1311 O GLU A 85 -12.089 -12.844 3.289 1.00 0.00 O ATOM 1312 CB GLU A 85 -13.167 -15.820 2.402 1.00 0.00 C ATOM 1313 CG GLU A 85 -14.413 -16.675 2.405 1.00 0.00 C ATOM 1314 CD GLU A 85 -14.133 -18.082 2.848 1.00 0.00 C ATOM 1315 OE1 GLU A 85 -14.014 -18.326 4.061 1.00 0.00 O ATOM 1316 OE2 GLU A 85 -14.045 -18.983 2.000 1.00 0.00 O ATOM 0 H GLU A 85 -13.921 -15.093 0.184 1.00 0.00 H new ATOM 0 HA GLU A 85 -14.199 -13.998 2.736 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -12.458 -16.231 1.683 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -12.696 -15.877 3.383 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -15.156 -16.229 3.066 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -14.844 -16.690 1.404 1.00 0.00 H new ATOM 1323 N ARG A 86 -11.244 -13.558 1.341 1.00 0.00 N ATOM 1324 CA ARG A 86 -10.026 -12.742 1.431 1.00 0.00 C ATOM 1325 C ARG A 86 -10.362 -11.283 1.488 1.00 0.00 C ATOM 1326 O ARG A 86 -9.746 -10.531 2.220 1.00 0.00 O ATOM 1327 CB ARG A 86 -9.070 -13.013 0.293 1.00 0.00 C ATOM 1328 CG ARG A 86 -8.042 -14.105 0.517 1.00 0.00 C ATOM 1329 CD ARG A 86 -7.040 -13.702 1.585 1.00 0.00 C ATOM 1330 NE ARG A 86 -7.558 -13.818 2.945 1.00 0.00 N ATOM 1331 CZ ARG A 86 -7.120 -13.126 4.001 1.00 0.00 C ATOM 1332 NH1 ARG A 86 -6.308 -12.079 3.831 1.00 0.00 N ATOM 1333 NH2 ARG A 86 -7.559 -13.427 5.207 1.00 0.00 N ATOM 0 H ARG A 86 -11.303 -14.135 0.502 1.00 0.00 H new ATOM 0 HA ARG A 86 -9.525 -13.027 2.356 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -9.655 -13.271 -0.590 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -8.541 -12.088 0.065 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -8.544 -15.026 0.814 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -7.519 -14.314 -0.416 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -6.150 -14.324 1.490 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -6.729 -12.672 1.410 1.00 0.00 H new ATOM 0 HE ARG A 86 -8.316 -14.482 3.102 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -6.020 -11.804 2.892 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -5.976 -11.554 4.640 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -8.230 -14.185 5.331 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -7.228 -12.902 6.016 1.00 0.00 H new ATOM 1347 N LEU A 87 -11.348 -10.908 0.728 1.00 0.00 N ATOM 1348 CA LEU A 87 -11.801 -9.549 0.668 1.00 0.00 C ATOM 1349 C LEU A 87 -12.428 -9.136 1.981 1.00 0.00 C ATOM 1350 O LEU A 87 -12.130 -8.086 2.506 1.00 0.00 O ATOM 1351 CB LEU A 87 -12.793 -9.399 -0.462 1.00 0.00 C ATOM 1352 CG LEU A 87 -12.322 -9.851 -1.825 1.00 0.00 C ATOM 1353 CD1 LEU A 87 -13.388 -9.567 -2.864 1.00 0.00 C ATOM 1354 CD2 LEU A 87 -11.024 -9.166 -2.174 1.00 0.00 C ATOM 0 H LEU A 87 -11.867 -11.545 0.124 1.00 0.00 H new ATOM 0 HA LEU A 87 -10.946 -8.898 0.484 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -13.692 -9.960 -0.206 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -13.081 -8.350 -0.529 1.00 0.00 H new ATOM 0 HG LEU A 87 -12.145 -10.926 -1.808 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -13.039 -9.896 -3.843 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -14.301 -10.103 -2.605 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -13.592 -8.497 -2.893 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -10.691 -9.497 -3.158 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -11.174 -8.086 -2.186 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -10.268 -9.419 -1.431 1.00 0.00 H new ATOM 1366 N VAL A 88 -13.289 -9.970 2.479 1.00 0.00 N ATOM 1367 CA VAL A 88 -13.928 -9.781 3.726 1.00 0.00 C ATOM 1368 C VAL A 88 -12.994 -9.762 4.888 1.00 0.00 C ATOM 1369 O VAL A 88 -13.052 -8.844 5.702 1.00 0.00 O ATOM 1370 CB VAL A 88 -15.117 -10.727 3.850 1.00 0.00 C ATOM 1371 CG1 VAL A 88 -15.592 -10.748 5.240 1.00 0.00 C ATOM 1372 CG2 VAL A 88 -16.240 -10.407 2.916 1.00 0.00 C ATOM 0 H VAL A 88 -13.569 -10.828 2.004 1.00 0.00 H new ATOM 0 HA VAL A 88 -14.335 -8.770 3.755 1.00 0.00 H new ATOM 0 HB VAL A 88 -14.762 -11.716 3.560 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -16.442 -11.425 5.324 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -14.790 -11.090 5.894 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -15.898 -9.744 5.535 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -17.050 -11.122 3.062 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -16.605 -9.400 3.117 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -15.885 -10.466 1.887 1.00 0.00 H new ATOM 1382 N GLU A 89 -12.109 -10.706 4.954 1.00 0.00 N ATOM 1383 CA GLU A 89 -11.110 -10.704 5.984 1.00 0.00 C ATOM 1384 C GLU A 89 -10.194 -9.478 5.882 1.00 0.00 C ATOM 1385 O GLU A 89 -9.690 -8.978 6.880 1.00 0.00 O ATOM 1386 CB GLU A 89 -10.331 -11.964 5.960 1.00 0.00 C ATOM 1387 CG GLU A 89 -11.126 -13.206 6.329 1.00 0.00 C ATOM 1388 CD GLU A 89 -10.250 -14.416 6.515 1.00 0.00 C ATOM 1389 OE1 GLU A 89 -9.739 -14.969 5.512 1.00 0.00 O ATOM 1390 OE2 GLU A 89 -10.001 -14.801 7.674 1.00 0.00 O ATOM 0 H GLU A 89 -12.055 -11.492 4.306 1.00 0.00 H new ATOM 0 HA GLU A 89 -11.622 -10.641 6.944 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -9.914 -12.099 4.962 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -9.490 -11.869 6.647 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -11.681 -13.018 7.248 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -11.860 -13.409 5.549 1.00 0.00 H new ATOM 1397 N ALA A 90 -9.996 -9.007 4.676 1.00 0.00 N ATOM 1398 CA ALA A 90 -9.211 -7.788 4.447 1.00 0.00 C ATOM 1399 C ALA A 90 -10.007 -6.520 4.793 1.00 0.00 C ATOM 1400 O ALA A 90 -9.437 -5.546 5.289 1.00 0.00 O ATOM 1401 CB ALA A 90 -8.689 -7.721 3.037 1.00 0.00 C ATOM 0 H ALA A 90 -10.362 -9.439 3.828 1.00 0.00 H new ATOM 0 HA ALA A 90 -8.355 -7.836 5.121 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -8.113 -6.805 2.905 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -8.050 -8.583 2.844 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -9.526 -7.727 2.339 1.00 0.00 H new ATOM 1407 N GLU A 91 -11.321 -6.530 4.534 1.00 0.00 N ATOM 1408 CA GLU A 91 -12.199 -5.412 4.878 1.00 0.00 C ATOM 1409 C GLU A 91 -12.199 -5.099 6.363 1.00 0.00 C ATOM 1410 O GLU A 91 -12.535 -3.987 6.789 1.00 0.00 O ATOM 1411 CB GLU A 91 -13.601 -5.616 4.356 1.00 0.00 C ATOM 1412 CG GLU A 91 -13.794 -5.085 2.951 1.00 0.00 C ATOM 1413 CD GLU A 91 -13.677 -3.575 2.901 1.00 0.00 C ATOM 1414 OE1 GLU A 91 -12.575 -3.030 3.110 1.00 0.00 O ATOM 1415 OE2 GLU A 91 -14.705 -2.898 2.719 1.00 0.00 O ATOM 0 H GLU A 91 -11.800 -7.310 4.083 1.00 0.00 H new ATOM 0 HA GLU A 91 -11.785 -4.537 4.376 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -13.837 -6.680 4.372 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -14.307 -5.123 5.025 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -13.051 -5.530 2.289 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -14.773 -5.387 2.579 1.00 0.00 H new ATOM 1422 N LYS A 92 -11.839 -6.086 7.132 1.00 0.00 N ATOM 1423 CA LYS A 92 -11.624 -5.966 8.560 1.00 0.00 C ATOM 1424 C LYS A 92 -10.609 -4.852 8.876 1.00 0.00 C ATOM 1425 O LYS A 92 -10.763 -4.115 9.848 1.00 0.00 O ATOM 1426 CB LYS A 92 -11.106 -7.306 9.080 1.00 0.00 C ATOM 1427 CG LYS A 92 -12.173 -8.374 9.416 1.00 0.00 C ATOM 1428 CD LYS A 92 -13.448 -8.285 8.612 1.00 0.00 C ATOM 1429 CE LYS A 92 -14.347 -9.478 8.892 1.00 0.00 C ATOM 1430 NZ LYS A 92 -14.740 -9.572 10.318 1.00 0.00 N ATOM 0 H LYS A 92 -11.680 -7.030 6.779 1.00 0.00 H new ATOM 0 HA LYS A 92 -12.564 -5.705 9.046 1.00 0.00 H new ATOM 0 HB2 LYS A 92 -10.429 -7.723 8.334 1.00 0.00 H new ATOM 0 HB3 LYS A 92 -10.516 -7.119 9.977 1.00 0.00 H new ATOM 0 HG2 LYS A 92 -11.736 -9.361 9.266 1.00 0.00 H new ATOM 0 HG3 LYS A 92 -12.423 -8.294 10.474 1.00 0.00 H new ATOM 0 HD2 LYS A 92 -13.974 -7.362 8.857 1.00 0.00 H new ATOM 0 HD3 LYS A 92 -13.211 -8.244 7.549 1.00 0.00 H new ATOM 0 HE2 LYS A 92 -15.243 -9.406 8.276 1.00 0.00 H new ATOM 0 HE3 LYS A 92 -13.832 -10.393 8.600 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 -15.469 -10.305 10.430 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 -13.909 -9.820 10.892 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 -15.118 -8.657 10.635 1.00 0.00 H new ATOM 1444 N SER A 93 -9.574 -4.732 8.058 1.00 0.00 N ATOM 1445 CA SER A 93 -8.560 -3.730 8.274 1.00 0.00 C ATOM 1446 C SER A 93 -7.968 -3.122 6.981 1.00 0.00 C ATOM 1447 O SER A 93 -8.342 -2.021 6.580 1.00 0.00 O ATOM 1448 CB SER A 93 -7.495 -4.267 9.190 1.00 0.00 C ATOM 1449 OG SER A 93 -8.039 -4.607 10.464 1.00 0.00 O ATOM 0 H SER A 93 -9.421 -5.321 7.239 1.00 0.00 H new ATOM 0 HA SER A 93 -9.056 -2.887 8.756 1.00 0.00 H new ATOM 0 HB2 SER A 93 -7.034 -5.147 8.741 1.00 0.00 H new ATOM 0 HB3 SER A 93 -6.708 -3.523 9.314 1.00 0.00 H new ATOM 0 HG SER A 93 -7.321 -4.631 11.131 1.00 0.00 H new ATOM 1455 N TYR A 94 -7.070 -3.841 6.356 1.00 0.00 N ATOM 1456 CA TYR A 94 -6.373 -3.428 5.133 1.00 0.00 C ATOM 1457 C TYR A 94 -5.690 -4.667 4.514 1.00 0.00 C ATOM 1458 O TYR A 94 -5.810 -5.780 5.040 1.00 0.00 O ATOM 1459 CB TYR A 94 -5.208 -2.393 5.392 1.00 0.00 C ATOM 1460 CG TYR A 94 -4.194 -2.581 6.478 1.00 0.00 C ATOM 1461 CD1 TYR A 94 -4.586 -2.768 7.764 1.00 0.00 C ATOM 1462 CD2 TYR A 94 -2.839 -2.460 6.210 1.00 0.00 C ATOM 1463 CE1 TYR A 94 -3.682 -2.850 8.789 1.00 0.00 C ATOM 1464 CE2 TYR A 94 -1.912 -2.549 7.217 1.00 0.00 C ATOM 1465 CZ TYR A 94 -2.340 -2.745 8.517 1.00 0.00 C ATOM 1466 OH TYR A 94 -1.433 -2.828 9.547 1.00 0.00 O ATOM 0 H TYR A 94 -6.784 -4.763 6.684 1.00 0.00 H new ATOM 0 HA TYR A 94 -7.127 -2.969 4.494 1.00 0.00 H new ATOM 0 HB2 TYR A 94 -4.653 -2.307 4.458 1.00 0.00 H new ATOM 0 HB3 TYR A 94 -5.682 -1.428 5.571 1.00 0.00 H new ATOM 0 HD1 TYR A 94 -5.640 -2.854 7.985 1.00 0.00 H new ATOM 0 HD2 TYR A 94 -2.509 -2.294 5.195 1.00 0.00 H new ATOM 0 HE1 TYR A 94 -4.022 -2.996 9.804 1.00 0.00 H new ATOM 0 HE2 TYR A 94 -0.858 -2.467 6.997 1.00 0.00 H new ATOM 0 HH TYR A 94 -0.591 -3.203 9.212 1.00 0.00 H new ATOM 1476 N PHE A 95 -4.973 -4.441 3.432 1.00 0.00 N ATOM 1477 CA PHE A 95 -4.059 -5.404 2.816 1.00 0.00 C ATOM 1478 C PHE A 95 -2.708 -4.762 2.828 1.00 0.00 C ATOM 1479 O PHE A 95 -2.626 -3.552 2.817 1.00 0.00 O ATOM 1480 CB PHE A 95 -4.381 -5.708 1.341 1.00 0.00 C ATOM 1481 CG PHE A 95 -5.258 -6.893 1.062 1.00 0.00 C ATOM 1482 CD1 PHE A 95 -4.936 -8.141 1.576 1.00 0.00 C ATOM 1483 CD2 PHE A 95 -6.370 -6.776 0.243 1.00 0.00 C ATOM 1484 CE1 PHE A 95 -5.712 -9.248 1.288 1.00 0.00 C ATOM 1485 CE2 PHE A 95 -7.148 -7.881 -0.058 1.00 0.00 C ATOM 1486 CZ PHE A 95 -6.819 -9.120 0.467 1.00 0.00 C ATOM 0 H PHE A 95 -5.006 -3.552 2.933 1.00 0.00 H new ATOM 0 HA PHE A 95 -4.132 -6.339 3.372 1.00 0.00 H new ATOM 0 HB2 PHE A 95 -4.856 -4.827 0.910 1.00 0.00 H new ATOM 0 HB3 PHE A 95 -3.439 -5.853 0.812 1.00 0.00 H new ATOM 0 HD1 PHE A 95 -4.068 -8.249 2.209 1.00 0.00 H new ATOM 0 HD2 PHE A 95 -6.633 -5.811 -0.165 1.00 0.00 H new ATOM 0 HE1 PHE A 95 -5.455 -10.211 1.703 1.00 0.00 H new ATOM 0 HE2 PHE A 95 -8.010 -7.777 -0.701 1.00 0.00 H new ATOM 0 HZ PHE A 95 -7.425 -9.984 0.236 1.00 0.00 H new ATOM 1496 N ILE A 96 -1.659 -5.526 2.888 1.00 0.00 N ATOM 1497 CA ILE A 96 -0.341 -4.936 2.795 1.00 0.00 C ATOM 1498 C ILE A 96 0.370 -5.465 1.548 1.00 0.00 C ATOM 1499 O ILE A 96 0.823 -6.590 1.521 1.00 0.00 O ATOM 1500 CB ILE A 96 0.524 -5.189 4.028 1.00 0.00 C ATOM 1501 CG1 ILE A 96 -0.273 -4.892 5.288 1.00 0.00 C ATOM 1502 CG2 ILE A 96 1.751 -4.280 3.973 1.00 0.00 C ATOM 1503 CD1 ILE A 96 0.539 -4.967 6.540 1.00 0.00 C ATOM 0 H ILE A 96 -1.678 -6.540 2.999 1.00 0.00 H new ATOM 0 HA ILE A 96 -0.482 -3.857 2.729 1.00 0.00 H new ATOM 0 HB ILE A 96 0.838 -6.233 4.044 1.00 0.00 H new ATOM 0 HG12 ILE A 96 -0.709 -3.896 5.206 1.00 0.00 H new ATOM 0 HG13 ILE A 96 -1.101 -5.597 5.359 1.00 0.00 H new ATOM 0 HG21 ILE A 96 2.373 -4.455 4.851 1.00 0.00 H new ATOM 0 HG22 ILE A 96 2.325 -4.497 3.072 1.00 0.00 H new ATOM 0 HG23 ILE A 96 1.431 -3.238 3.957 1.00 0.00 H new ATOM 0 HD11 ILE A 96 -0.094 -4.744 7.398 1.00 0.00 H new ATOM 0 HD12 ILE A 96 0.953 -5.970 6.646 1.00 0.00 H new ATOM 0 HD13 ILE A 96 1.352 -4.242 6.491 1.00 0.00 H new ATOM 1515 N LEU A 97 0.407 -4.657 0.526 1.00 0.00 N ATOM 1516 CA LEU A 97 1.042 -4.990 -0.736 1.00 0.00 C ATOM 1517 C LEU A 97 2.531 -4.821 -0.543 1.00 0.00 C ATOM 1518 O LEU A 97 3.049 -3.710 -0.378 1.00 0.00 O ATOM 1519 CB LEU A 97 0.508 -4.021 -1.816 1.00 0.00 C ATOM 1520 CG LEU A 97 0.581 -4.414 -3.315 1.00 0.00 C ATOM 1521 CD1 LEU A 97 1.537 -3.557 -4.093 1.00 0.00 C ATOM 1522 CD2 LEU A 97 0.877 -5.885 -3.510 1.00 0.00 C ATOM 0 H LEU A 97 -0.010 -3.726 0.539 1.00 0.00 H new ATOM 0 HA LEU A 97 0.828 -6.011 -1.051 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -0.538 -3.821 -1.584 1.00 0.00 H new ATOM 0 HB3 LEU A 97 1.045 -3.080 -1.701 1.00 0.00 H new ATOM 0 HG LEU A 97 -0.414 -4.227 -3.719 1.00 0.00 H new ATOM 0 HD11 LEU A 97 1.547 -3.877 -5.135 1.00 0.00 H new ATOM 0 HD12 LEU A 97 1.221 -2.515 -4.036 1.00 0.00 H new ATOM 0 HD13 LEU A 97 2.538 -3.655 -3.673 1.00 0.00 H new ATOM 0 HD21 LEU A 97 0.918 -6.110 -4.576 1.00 0.00 H new ATOM 0 HD22 LEU A 97 1.836 -6.127 -3.051 1.00 0.00 H new ATOM 0 HD23 LEU A 97 0.091 -6.479 -3.044 1.00 0.00 H new ATOM 1534 N ARG A 98 3.198 -5.928 -0.485 1.00 0.00 N ATOM 1535 CA ARG A 98 4.589 -5.963 -0.162 1.00 0.00 C ATOM 1536 C ARG A 98 5.327 -6.698 -1.203 1.00 0.00 C ATOM 1537 O ARG A 98 4.734 -7.477 -1.968 1.00 0.00 O ATOM 1538 CB ARG A 98 4.788 -6.729 1.135 1.00 0.00 C ATOM 1539 CG ARG A 98 4.090 -6.144 2.319 1.00 0.00 C ATOM 1540 CD ARG A 98 4.249 -7.012 3.546 1.00 0.00 C ATOM 1541 NE ARG A 98 5.651 -7.279 3.836 1.00 0.00 N ATOM 1542 CZ ARG A 98 6.365 -6.748 4.836 1.00 0.00 C ATOM 1543 NH1 ARG A 98 5.852 -5.783 5.611 1.00 0.00 N ATOM 1544 NH2 ARG A 98 7.602 -7.171 5.046 1.00 0.00 N ATOM 0 H ARG A 98 2.788 -6.845 -0.663 1.00 0.00 H new ATOM 0 HA ARG A 98 4.947 -4.937 -0.079 1.00 0.00 H new ATOM 0 HB2 ARG A 98 4.440 -7.752 0.994 1.00 0.00 H new ATOM 0 HB3 ARG A 98 5.855 -6.782 1.349 1.00 0.00 H new ATOM 0 HG2 ARG A 98 4.489 -5.150 2.522 1.00 0.00 H new ATOM 0 HG3 ARG A 98 3.030 -6.023 2.094 1.00 0.00 H new ATOM 0 HD2 ARG A 98 3.787 -6.521 4.402 1.00 0.00 H new ATOM 0 HD3 ARG A 98 3.722 -7.954 3.397 1.00 0.00 H new ATOM 0 HE ARG A 98 6.134 -7.932 3.219 1.00 0.00 H new ATOM 0 HH11 ARG A 98 4.905 -5.443 5.443 1.00 0.00 H new ATOM 0 HH12 ARG A 98 6.408 -5.388 6.369 1.00 0.00 H new ATOM 0 HH21 ARG A 98 8.002 -7.895 4.449 1.00 0.00 H new ATOM 0 HH22 ARG A 98 8.155 -6.773 5.805 1.00 0.00 H new ATOM 1558 N MET A 99 6.607 -6.454 -1.267 1.00 0.00 N ATOM 1559 CA MET A 99 7.429 -7.252 -2.071 1.00 0.00 C ATOM 1560 C MET A 99 7.683 -8.516 -1.304 1.00 0.00 C ATOM 1561 O MET A 99 8.082 -8.458 -0.121 1.00 0.00 O ATOM 1562 CB MET A 99 8.749 -6.596 -2.410 1.00 0.00 C ATOM 1563 CG MET A 99 8.622 -5.300 -3.147 1.00 0.00 C ATOM 1564 SD MET A 99 10.150 -4.763 -3.943 1.00 0.00 S ATOM 1565 CE MET A 99 10.275 -5.993 -5.253 1.00 0.00 C ATOM 0 H MET A 99 7.084 -5.705 -0.765 1.00 0.00 H new ATOM 0 HA MET A 99 6.927 -7.430 -3.022 1.00 0.00 H new ATOM 0 HB2 MET A 99 9.303 -6.423 -1.487 1.00 0.00 H new ATOM 0 HB3 MET A 99 9.340 -7.286 -3.012 1.00 0.00 H new ATOM 0 HG2 MET A 99 7.844 -5.398 -3.904 1.00 0.00 H new ATOM 0 HG3 MET A 99 8.295 -4.527 -2.451 1.00 0.00 H new ATOM 0 HE1 MET A 99 10.891 -5.601 -6.062 1.00 0.00 H new ATOM 0 HE2 MET A 99 10.730 -6.901 -4.857 1.00 0.00 H new ATOM 0 HE3 MET A 99 9.279 -6.222 -5.633 1.00 0.00 H new ATOM 1575 N LYS A 100 7.420 -9.619 -1.941 1.00 0.00 N ATOM 1576 CA LYS A 100 7.595 -10.918 -1.374 1.00 0.00 C ATOM 1577 C LYS A 100 9.045 -11.093 -0.955 1.00 0.00 C ATOM 1578 O LYS A 100 9.935 -10.582 -1.639 1.00 0.00 O ATOM 1579 CB LYS A 100 7.185 -11.974 -2.376 1.00 0.00 C ATOM 1580 CG LYS A 100 5.760 -11.822 -2.893 1.00 0.00 C ATOM 1581 CD LYS A 100 5.337 -12.995 -3.769 1.00 0.00 C ATOM 1582 CE LYS A 100 5.084 -14.247 -2.938 1.00 0.00 C ATOM 1583 NZ LYS A 100 4.732 -15.416 -3.771 1.00 0.00 N ATOM 0 H LYS A 100 7.067 -9.637 -2.898 1.00 0.00 H new ATOM 0 HA LYS A 100 6.964 -11.026 -0.492 1.00 0.00 H new ATOM 0 HB2 LYS A 100 7.872 -11.943 -3.222 1.00 0.00 H new ATOM 0 HB3 LYS A 100 7.290 -12.956 -1.916 1.00 0.00 H new ATOM 0 HG2 LYS A 100 5.076 -11.736 -2.049 1.00 0.00 H new ATOM 0 HG3 LYS A 100 5.679 -10.897 -3.464 1.00 0.00 H new ATOM 0 HD2 LYS A 100 4.433 -12.733 -4.319 1.00 0.00 H new ATOM 0 HD3 LYS A 100 6.112 -13.197 -4.508 1.00 0.00 H new ATOM 0 HE2 LYS A 100 5.974 -14.477 -2.352 1.00 0.00 H new ATOM 0 HE3 LYS A 100 4.278 -14.053 -2.230 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 4.769 -16.279 -3.192 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 3.772 -15.295 -4.151 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 5.408 -15.498 -4.557 1.00 0.00 H new ATOM 1597 N PRO A 101 9.289 -11.766 0.193 1.00 0.00 N ATOM 1598 CA PRO A 101 10.621 -11.926 0.785 1.00 0.00 C ATOM 1599 C PRO A 101 11.751 -12.176 -0.210 1.00 0.00 C ATOM 1600 O PRO A 101 11.857 -13.249 -0.836 1.00 0.00 O ATOM 1601 CB PRO A 101 10.450 -13.098 1.718 1.00 0.00 C ATOM 1602 CG PRO A 101 9.055 -12.952 2.203 1.00 0.00 C ATOM 1603 CD PRO A 101 8.262 -12.435 1.030 1.00 0.00 C ATOM 0 HA PRO A 101 10.934 -11.001 1.270 1.00 0.00 H new ATOM 0 HB2 PRO A 101 10.599 -14.047 1.202 1.00 0.00 H new ATOM 0 HB3 PRO A 101 11.166 -13.066 2.539 1.00 0.00 H new ATOM 0 HG2 PRO A 101 8.660 -13.907 2.551 1.00 0.00 H new ATOM 0 HG3 PRO A 101 9.004 -12.261 3.044 1.00 0.00 H new ATOM 0 HD2 PRO A 101 7.768 -13.243 0.491 1.00 0.00 H new ATOM 0 HD3 PRO A 101 7.484 -11.739 1.345 1.00 0.00 H new ATOM 1611 N HIS A 102 12.544 -11.157 -0.375 1.00 0.00 N ATOM 1612 CA HIS A 102 13.709 -11.164 -1.207 1.00 0.00 C ATOM 1613 C HIS A 102 14.847 -10.538 -0.460 1.00 0.00 C ATOM 1614 O HIS A 102 14.628 -9.726 0.454 1.00 0.00 O ATOM 1615 CB HIS A 102 13.528 -10.424 -2.553 1.00 0.00 C ATOM 1616 CG HIS A 102 12.772 -11.161 -3.622 1.00 0.00 C ATOM 1617 ND1 HIS A 102 13.294 -12.232 -4.301 1.00 0.00 N ATOM 1618 CD2 HIS A 102 11.556 -10.943 -4.163 1.00 0.00 C ATOM 1619 CE1 HIS A 102 12.440 -12.634 -5.209 1.00 0.00 C ATOM 1620 NE2 HIS A 102 11.378 -11.873 -5.152 1.00 0.00 N ATOM 0 H HIS A 102 12.388 -10.261 0.087 1.00 0.00 H new ATOM 0 HA HIS A 102 13.907 -12.208 -1.450 1.00 0.00 H new ATOM 0 HB2 HIS A 102 13.015 -9.482 -2.359 1.00 0.00 H new ATOM 0 HB3 HIS A 102 14.515 -10.175 -2.942 1.00 0.00 H new ATOM 0 HD2 HIS A 102 10.853 -10.177 -3.870 1.00 0.00 H new ATOM 0 HE1 HIS A 102 12.588 -13.458 -5.892 1.00 0.00 H new ATOM 0 HE2 HIS A 102 10.553 -11.958 -5.746 1.00 0.00 H new ATOM 1629 N ALA A 103 16.028 -10.917 -0.833 1.00 0.00 N ATOM 1630 CA ALA A 103 17.275 -10.431 -0.290 1.00 0.00 C ATOM 1631 C ALA A 103 18.344 -11.001 -1.175 1.00 0.00 C ATOM 1632 O ALA A 103 18.008 -11.749 -2.107 1.00 0.00 O ATOM 1633 CB ALA A 103 17.470 -10.918 1.147 1.00 0.00 C ATOM 0 H ALA A 103 16.165 -11.613 -1.566 1.00 0.00 H new ATOM 0 HA ALA A 103 17.300 -9.342 -0.262 1.00 0.00 H new ATOM 0 HB1 ALA A 103 18.416 -10.539 1.534 1.00 0.00 H new ATOM 0 HB2 ALA A 103 16.652 -10.555 1.769 1.00 0.00 H new ATOM 0 HB3 ALA A 103 17.482 -12.008 1.163 1.00 0.00 H new ATOM 1639 N ILE A 104 19.591 -10.671 -0.942 1.00 0.00 N ATOM 1640 CA ILE A 104 20.636 -11.247 -1.688 1.00 0.00 C ATOM 1641 C ILE A 104 20.842 -12.701 -1.247 1.00 0.00 C ATOM 1642 O ILE A 104 21.436 -12.982 -0.195 1.00 0.00 O ATOM 1643 CB ILE A 104 21.905 -10.421 -1.565 1.00 0.00 C ATOM 1644 CG1 ILE A 104 21.727 -9.037 -2.219 1.00 0.00 C ATOM 1645 CG2 ILE A 104 23.090 -11.152 -2.129 1.00 0.00 C ATOM 1646 CD1 ILE A 104 22.950 -8.142 -2.136 1.00 0.00 C ATOM 0 H ILE A 104 19.888 -10.001 -0.233 1.00 0.00 H new ATOM 0 HA ILE A 104 20.369 -11.253 -2.745 1.00 0.00 H new ATOM 0 HB ILE A 104 22.100 -10.262 -0.504 1.00 0.00 H new ATOM 0 HG12 ILE A 104 21.464 -9.175 -3.268 1.00 0.00 H new ATOM 0 HG13 ILE A 104 20.888 -8.529 -1.744 1.00 0.00 H new ATOM 0 HG21 ILE A 104 23.982 -10.534 -2.026 1.00 0.00 H new ATOM 0 HG22 ILE A 104 23.232 -12.087 -1.588 1.00 0.00 H new ATOM 0 HG23 ILE A 104 22.917 -11.366 -3.184 1.00 0.00 H new ATOM 0 HD11 ILE A 104 22.737 -7.189 -2.620 1.00 0.00 H new ATOM 0 HD12 ILE A 104 23.204 -7.969 -1.090 1.00 0.00 H new ATOM 0 HD13 ILE A 104 23.789 -8.625 -2.638 1.00 0.00 H new ATOM 1658 N ALA A 105 20.259 -13.591 -2.014 1.00 0.00 N ATOM 1659 CA ALA A 105 20.280 -15.011 -1.778 1.00 0.00 C ATOM 1660 C ALA A 105 19.883 -15.686 -3.071 1.00 0.00 C ATOM 1661 O ALA A 105 18.691 -15.776 -3.399 1.00 0.00 O ATOM 1662 CB ALA A 105 19.299 -15.383 -0.661 1.00 0.00 C ATOM 0 H ALA A 105 19.737 -13.334 -2.852 1.00 0.00 H new ATOM 0 HA ALA A 105 21.273 -15.333 -1.464 1.00 0.00 H new ATOM 0 HB1 ALA A 105 19.327 -16.460 -0.495 1.00 0.00 H new ATOM 0 HB2 ALA A 105 19.580 -14.867 0.257 1.00 0.00 H new ATOM 0 HB3 ALA A 105 18.290 -15.087 -0.949 1.00 0.00 H new ATOM 1668 N ASP A 106 20.861 -16.120 -3.823 1.00 0.00 N ATOM 1669 CA ASP A 106 20.619 -16.670 -5.144 1.00 0.00 C ATOM 1670 C ASP A 106 20.363 -18.136 -5.111 1.00 0.00 C ATOM 1671 O ASP A 106 21.203 -18.948 -5.505 1.00 0.00 O ATOM 1672 CB ASP A 106 21.724 -16.338 -6.147 1.00 0.00 C ATOM 1673 CG ASP A 106 21.704 -14.909 -6.601 1.00 0.00 C ATOM 1674 OD1 ASP A 106 22.120 -14.012 -5.831 1.00 0.00 O ATOM 1675 OD2 ASP A 106 21.257 -14.644 -7.725 1.00 0.00 O ATOM 0 H ASP A 106 21.842 -16.105 -3.546 1.00 0.00 H new ATOM 0 HA ASP A 106 19.711 -16.178 -5.494 1.00 0.00 H new ATOM 0 HB2 ASP A 106 22.692 -16.555 -5.695 1.00 0.00 H new ATOM 0 HB3 ASP A 106 21.624 -16.989 -7.015 1.00 0.00 H new ATOM 1680 N ARG A 107 19.255 -18.467 -4.563 1.00 0.00 N ATOM 1681 CA ARG A 107 18.787 -19.802 -4.537 1.00 0.00 C ATOM 1682 C ARG A 107 17.664 -19.941 -5.549 1.00 0.00 C ATOM 1683 O ARG A 107 17.954 -20.228 -6.713 1.00 0.00 O ATOM 1684 CB ARG A 107 18.371 -20.196 -3.111 1.00 0.00 C ATOM 1685 CG ARG A 107 17.380 -19.249 -2.434 1.00 0.00 C ATOM 1686 CD ARG A 107 17.089 -19.686 -1.021 1.00 0.00 C ATOM 1687 NE ARG A 107 18.306 -19.716 -0.207 1.00 0.00 N ATOM 1688 CZ ARG A 107 18.373 -20.170 1.042 1.00 0.00 C ATOM 1689 NH1 ARG A 107 17.278 -20.592 1.658 1.00 0.00 N ATOM 1690 NH2 ARG A 107 19.538 -20.210 1.671 1.00 0.00 N ATOM 1691 OXT ARG A 107 16.492 -19.689 -5.218 1.00 0.00 O ATOM 0 H ARG A 107 18.631 -17.800 -4.108 1.00 0.00 H new ATOM 0 HA ARG A 107 19.579 -20.496 -4.820 1.00 0.00 H new ATOM 0 HB2 ARG A 107 17.933 -21.193 -3.141 1.00 0.00 H new ATOM 0 HB3 ARG A 107 19.267 -20.260 -2.493 1.00 0.00 H new ATOM 0 HG2 ARG A 107 17.785 -18.237 -2.429 1.00 0.00 H new ATOM 0 HG3 ARG A 107 16.453 -19.218 -3.006 1.00 0.00 H new ATOM 0 HD2 ARG A 107 16.365 -19.006 -0.571 1.00 0.00 H new ATOM 0 HD3 ARG A 107 16.633 -20.676 -1.032 1.00 0.00 H new ATOM 0 HE ARG A 107 19.165 -19.363 -0.628 1.00 0.00 H new ATOM 0 HH11 ARG A 107 16.380 -20.569 1.175 1.00 0.00 H new ATOM 0 HH12 ARG A 107 17.333 -20.939 2.615 1.00 0.00 H new ATOM 0 HH21 ARG A 107 20.384 -19.893 1.198 1.00 0.00 H new ATOM 0 HH22 ARG A 107 19.589 -20.558 2.628 1.00 0.00 H new TER 1705 ARG A 107