USER MOD reduce.3.24.130724 H: found=0, std=0, add=819, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 817 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 43 GLN :FLIP amide:sc= -1.89 F(o=-18!,f=-12) USER MOD Set 1.2: A 45 MET CE :methyl -150:sc= -10.4! (180deg=-8.73!) USER MOD Single : A 1 GLY N :NH3+ -140:sc= 0.0368 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot -57:sc= 0.00588 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 HIS : no HE2:sc= -2.21 X(o=-2.2,f=-2.5) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ -117:sc= -0.71 (180deg=-2.63!) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 48 HIS : no HD1:sc= -2.48! C(o=-2.5!,f=-5.3!) USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 THR OG1 : rot 0:sc= 0.781 USER MOD Single : A 51 ASN : amide:sc= -1.54! C(o=-1.5!,f=-4.1!) USER MOD Single : A 52 ASN : amide:sc= -2.97! C(o=-3!,f=-8.8!) USER MOD Single : A 59 THR OG1 : rot 180:sc= 0.0067 USER MOD Single : A 60 THR OG1 : rot -21:sc= 0.711 USER MOD Single : A 61 GLN : amide:sc= -0.975 K(o=-0.98,f=-2.6!) USER MOD Single : A 66 LYS NZ :NH3+ 137:sc= 0.346 (180deg=-0.00612) USER MOD Single : A 74 SER OG : rot 28:sc= -0.628 USER MOD Single : A 76 HIS : no HD1:sc= -0.801 X(o=-0.8,f=-0.38) USER MOD Single : A 77 MET CE :methyl 160:sc= -0.0947 (180deg=-0.264) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 SER OG : rot -54:sc= -0.277! USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 ASN : amide:sc= -0.21 K(o=-0.21,f=-1.4) USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 91 GLN : amide:sc= 0 K(o=0,f=-0.89) USER MOD Single : A 93 THR OG1 : rot 180:sc= 0 USER MOD Single : A 94 ASN : amide:sc= -0.553 X(o=-0.55,f=-0.94) USER MOD Single : A 98 SER OG : rot 22:sc= 0.453! USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 102 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -4.914 25.570 -17.492 1.00 0.00 N ATOM 2 CA GLY A 1 -5.291 25.990 -18.829 1.00 0.00 C ATOM 3 C GLY A 1 -5.157 24.875 -19.847 1.00 0.00 C ATOM 4 O GLY A 1 -5.276 23.697 -19.507 1.00 0.00 O ATOM 0 H1 GLY A 1 -5.571 25.983 -16.800 1.00 0.00 H new ATOM 0 H2 GLY A 1 -4.953 24.533 -17.430 1.00 0.00 H new ATOM 0 H3 GLY A 1 -3.947 25.893 -17.286 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -6.321 26.345 -18.818 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -4.667 26.831 -19.132 1.00 0.00 H new ATOM 8 N SER A 2 -4.909 25.245 -21.099 1.00 0.00 N ATOM 9 CA SER A 2 -4.763 24.267 -22.171 1.00 0.00 C ATOM 10 C SER A 2 -3.998 23.040 -21.686 1.00 0.00 C ATOM 11 O SER A 2 -4.515 21.923 -21.710 1.00 0.00 O ATOM 12 CB SER A 2 -4.042 24.893 -23.366 1.00 0.00 C ATOM 13 OG SER A 2 -4.964 25.490 -24.262 1.00 0.00 O ATOM 0 H SER A 2 -4.805 26.215 -21.396 1.00 0.00 H new ATOM 0 HA SER A 2 -5.759 23.953 -22.481 1.00 0.00 H new ATOM 0 HB2 SER A 2 -3.333 25.643 -23.015 1.00 0.00 H new ATOM 0 HB3 SER A 2 -3.465 24.129 -23.888 1.00 0.00 H new ATOM 0 HG SER A 2 -4.478 25.885 -25.016 1.00 0.00 H new ATOM 19 N SER A 3 -2.762 23.256 -21.247 1.00 0.00 N ATOM 20 CA SER A 3 -1.922 22.168 -20.760 1.00 0.00 C ATOM 21 C SER A 3 -2.420 21.660 -19.410 1.00 0.00 C ATOM 22 O SER A 3 -3.125 22.366 -18.690 1.00 0.00 O ATOM 23 CB SER A 3 -0.469 22.632 -20.639 1.00 0.00 C ATOM 24 OG SER A 3 0.102 22.856 -21.916 1.00 0.00 O ATOM 0 H SER A 3 -2.320 24.175 -21.219 1.00 0.00 H new ATOM 0 HA SER A 3 -1.976 21.350 -21.479 1.00 0.00 H new ATOM 0 HB2 SER A 3 -0.424 23.549 -20.051 1.00 0.00 H new ATOM 0 HB3 SER A 3 0.112 21.881 -20.104 1.00 0.00 H new ATOM 0 HG SER A 3 1.030 23.153 -21.812 1.00 0.00 H new ATOM 30 N GLY A 4 -2.047 20.429 -19.074 1.00 0.00 N ATOM 31 CA GLY A 4 -2.464 19.846 -17.812 1.00 0.00 C ATOM 32 C GLY A 4 -1.573 18.698 -17.381 1.00 0.00 C ATOM 33 O GLY A 4 -0.473 18.915 -16.872 1.00 0.00 O ATOM 0 H GLY A 4 -1.464 19.825 -19.653 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -2.458 20.616 -17.040 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -3.491 19.491 -17.901 1.00 0.00 H new ATOM 37 N SER A 5 -2.048 17.473 -17.584 1.00 0.00 N ATOM 38 CA SER A 5 -1.288 16.287 -17.207 1.00 0.00 C ATOM 39 C SER A 5 -0.914 16.328 -15.728 1.00 0.00 C ATOM 40 O SER A 5 0.214 16.009 -15.353 1.00 0.00 O ATOM 41 CB SER A 5 -0.024 16.172 -18.061 1.00 0.00 C ATOM 42 OG SER A 5 0.468 14.843 -18.069 1.00 0.00 O ATOM 0 H SER A 5 -2.955 17.276 -18.007 1.00 0.00 H new ATOM 0 HA SER A 5 -1.916 15.413 -17.381 1.00 0.00 H new ATOM 0 HB2 SER A 5 -0.241 16.489 -19.081 1.00 0.00 H new ATOM 0 HB3 SER A 5 0.742 16.844 -17.674 1.00 0.00 H new ATOM 0 HG SER A 5 0.638 14.552 -17.149 1.00 0.00 H new ATOM 48 N SER A 6 -1.870 16.724 -14.894 1.00 0.00 N ATOM 49 CA SER A 6 -1.641 16.811 -13.456 1.00 0.00 C ATOM 50 C SER A 6 -2.669 15.984 -12.691 1.00 0.00 C ATOM 51 O SER A 6 -3.810 16.406 -12.508 1.00 0.00 O ATOM 52 CB SER A 6 -1.699 18.269 -12.997 1.00 0.00 C ATOM 53 OG SER A 6 -0.515 18.963 -13.349 1.00 0.00 O ATOM 0 H SER A 6 -2.810 16.990 -15.189 1.00 0.00 H new ATOM 0 HA SER A 6 -0.649 16.410 -13.246 1.00 0.00 H new ATOM 0 HB2 SER A 6 -2.560 18.761 -13.448 1.00 0.00 H new ATOM 0 HB3 SER A 6 -1.839 18.308 -11.917 1.00 0.00 H new ATOM 0 HG SER A 6 -0.578 19.893 -13.046 1.00 0.00 H new ATOM 59 N GLY A 7 -2.255 14.801 -12.247 1.00 0.00 N ATOM 60 CA GLY A 7 -3.152 13.932 -11.507 1.00 0.00 C ATOM 61 C GLY A 7 -2.463 12.676 -11.010 1.00 0.00 C ATOM 62 O GLY A 7 -2.390 11.676 -11.724 1.00 0.00 O ATOM 0 H GLY A 7 -1.315 14.429 -12.386 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -3.563 14.478 -10.658 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -3.992 13.654 -12.144 1.00 0.00 H new ATOM 66 N ASP A 8 -1.954 12.728 -9.784 1.00 0.00 N ATOM 67 CA ASP A 8 -1.267 11.586 -9.193 1.00 0.00 C ATOM 68 C ASP A 8 -2.154 10.889 -8.166 1.00 0.00 C ATOM 69 O ASP A 8 -3.227 11.383 -7.820 1.00 0.00 O ATOM 70 CB ASP A 8 0.040 12.034 -8.535 1.00 0.00 C ATOM 71 CG ASP A 8 0.742 13.120 -9.325 1.00 0.00 C ATOM 72 OD1 ASP A 8 1.523 12.779 -10.238 1.00 0.00 O ATOM 73 OD2 ASP A 8 0.512 14.312 -9.030 1.00 0.00 O ATOM 0 H ASP A 8 -2.004 13.549 -9.180 1.00 0.00 H new ATOM 0 HA ASP A 8 -1.040 10.878 -9.990 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -0.169 12.398 -7.529 1.00 0.00 H new ATOM 0 HB3 ASP A 8 0.704 11.176 -8.432 1.00 0.00 H new ATOM 78 N VAL A 9 -1.700 9.737 -7.683 1.00 0.00 N ATOM 79 CA VAL A 9 -2.452 8.972 -6.696 1.00 0.00 C ATOM 80 C VAL A 9 -1.782 9.031 -5.328 1.00 0.00 C ATOM 81 O VAL A 9 -0.931 8.202 -5.006 1.00 0.00 O ATOM 82 CB VAL A 9 -2.599 7.499 -7.120 1.00 0.00 C ATOM 83 CG1 VAL A 9 -3.292 6.695 -6.030 1.00 0.00 C ATOM 84 CG2 VAL A 9 -3.358 7.396 -8.434 1.00 0.00 C ATOM 0 H VAL A 9 -0.815 9.313 -7.960 1.00 0.00 H new ATOM 0 HA VAL A 9 -3.442 9.424 -6.633 1.00 0.00 H new ATOM 0 HB VAL A 9 -1.603 7.081 -7.268 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -3.387 5.657 -6.348 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -2.704 6.742 -5.114 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -4.283 7.110 -5.846 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -3.452 6.348 -8.718 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -4.350 7.831 -8.316 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -2.816 7.935 -9.211 1.00 0.00 H new ATOM 94 N ARG A 10 -2.173 10.016 -4.526 1.00 0.00 N ATOM 95 CA ARG A 10 -1.609 10.184 -3.191 1.00 0.00 C ATOM 96 C ARG A 10 -1.730 8.895 -2.384 1.00 0.00 C ATOM 97 O ARG A 10 -2.801 8.290 -2.317 1.00 0.00 O ATOM 98 CB ARG A 10 -2.314 11.326 -2.457 1.00 0.00 C ATOM 99 CG ARG A 10 -1.546 11.839 -1.250 1.00 0.00 C ATOM 100 CD ARG A 10 -2.334 12.902 -0.499 1.00 0.00 C ATOM 101 NE ARG A 10 -2.068 14.244 -1.010 1.00 0.00 N ATOM 102 CZ ARG A 10 -1.029 14.981 -0.632 1.00 0.00 C ATOM 103 NH1 ARG A 10 -0.164 14.509 0.255 1.00 0.00 N ATOM 104 NH2 ARG A 10 -0.855 16.194 -1.142 1.00 0.00 N ATOM 0 H ARG A 10 -2.878 10.710 -4.777 1.00 0.00 H new ATOM 0 HA ARG A 10 -0.552 10.428 -3.298 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -2.474 12.150 -3.153 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -3.298 10.986 -2.134 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -1.322 11.009 -0.580 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -0.591 12.253 -1.574 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -3.400 12.688 -0.580 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -2.080 12.861 0.560 1.00 0.00 H new ATOM 0 HE ARG A 10 -2.715 14.637 -1.694 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -0.295 13.577 0.649 1.00 0.00 H new ATOM 0 HH12 ARG A 10 0.633 15.077 0.543 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -1.519 16.560 -1.824 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -0.057 16.760 -0.852 1.00 0.00 H new ATOM 118 N VAL A 11 -0.625 8.479 -1.773 1.00 0.00 N ATOM 119 CA VAL A 11 -0.607 7.262 -0.970 1.00 0.00 C ATOM 120 C VAL A 11 0.069 7.502 0.375 1.00 0.00 C ATOM 121 O VAL A 11 1.283 7.694 0.447 1.00 0.00 O ATOM 122 CB VAL A 11 0.120 6.118 -1.701 1.00 0.00 C ATOM 123 CG1 VAL A 11 0.036 4.831 -0.895 1.00 0.00 C ATOM 124 CG2 VAL A 11 -0.460 5.923 -3.094 1.00 0.00 C ATOM 0 H VAL A 11 0.269 8.967 -1.819 1.00 0.00 H new ATOM 0 HA VAL A 11 -1.646 6.975 -0.806 1.00 0.00 H new ATOM 0 HB VAL A 11 1.172 6.386 -1.804 1.00 0.00 H new ATOM 0 HG11 VAL A 11 0.555 4.034 -1.427 1.00 0.00 H new ATOM 0 HG12 VAL A 11 0.502 4.981 0.079 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -1.010 4.555 -0.758 1.00 0.00 H new ATOM 0 HG21 VAL A 11 0.065 5.111 -3.596 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -1.519 5.677 -3.016 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -0.342 6.842 -3.669 1.00 0.00 H new ATOM 134 N LYS A 12 -0.725 7.489 1.441 1.00 0.00 N ATOM 135 CA LYS A 12 -0.204 7.703 2.786 1.00 0.00 C ATOM 136 C LYS A 12 0.146 6.376 3.451 1.00 0.00 C ATOM 137 O LYS A 12 -0.731 5.556 3.723 1.00 0.00 O ATOM 138 CB LYS A 12 -1.227 8.458 3.637 1.00 0.00 C ATOM 139 CG LYS A 12 -0.614 9.195 4.815 1.00 0.00 C ATOM 140 CD LYS A 12 -1.656 10.000 5.573 1.00 0.00 C ATOM 141 CE LYS A 12 -1.948 11.323 4.883 1.00 0.00 C ATOM 142 NZ LYS A 12 -3.151 11.991 5.451 1.00 0.00 N ATOM 0 H LYS A 12 -1.732 7.332 1.399 1.00 0.00 H new ATOM 0 HA LYS A 12 0.704 8.300 2.706 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -1.754 9.174 3.006 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -1.970 7.752 4.008 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -0.145 8.478 5.489 1.00 0.00 H new ATOM 0 HG3 LYS A 12 0.173 9.860 4.460 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -2.576 9.421 5.655 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -1.305 10.187 6.588 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -1.086 11.982 4.982 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -2.097 11.151 3.817 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -3.316 12.889 4.954 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -3.979 11.373 5.334 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -2.999 12.178 6.463 1.00 0.00 H new ATOM 156 N PHE A 13 1.433 6.171 3.712 1.00 0.00 N ATOM 157 CA PHE A 13 1.898 4.943 4.347 1.00 0.00 C ATOM 158 C PHE A 13 1.810 5.049 5.866 1.00 0.00 C ATOM 159 O PHE A 13 1.838 6.145 6.425 1.00 0.00 O ATOM 160 CB PHE A 13 3.339 4.642 3.928 1.00 0.00 C ATOM 161 CG PHE A 13 3.450 4.031 2.561 1.00 0.00 C ATOM 162 CD1 PHE A 13 2.656 2.954 2.202 1.00 0.00 C ATOM 163 CD2 PHE A 13 4.349 4.534 1.634 1.00 0.00 C ATOM 164 CE1 PHE A 13 2.757 2.390 0.944 1.00 0.00 C ATOM 165 CE2 PHE A 13 4.455 3.974 0.375 1.00 0.00 C ATOM 166 CZ PHE A 13 3.657 2.901 0.029 1.00 0.00 C ATOM 0 H PHE A 13 2.172 6.839 3.494 1.00 0.00 H new ATOM 0 HA PHE A 13 1.253 4.127 4.020 1.00 0.00 H new ATOM 0 HB2 PHE A 13 3.917 5.566 3.952 1.00 0.00 H new ATOM 0 HB3 PHE A 13 3.787 3.967 4.657 1.00 0.00 H new ATOM 0 HD1 PHE A 13 1.950 2.551 2.913 1.00 0.00 H new ATOM 0 HD2 PHE A 13 4.974 5.374 1.899 1.00 0.00 H new ATOM 0 HE1 PHE A 13 2.133 1.550 0.677 1.00 0.00 H new ATOM 0 HE2 PHE A 13 5.161 4.375 -0.337 1.00 0.00 H new ATOM 0 HZ PHE A 13 3.736 2.462 -0.955 1.00 0.00 H new ATOM 176 N GLU A 14 1.703 3.901 6.528 1.00 0.00 N ATOM 177 CA GLU A 14 1.609 3.865 7.983 1.00 0.00 C ATOM 178 C GLU A 14 2.244 2.593 8.538 1.00 0.00 C ATOM 179 O GLU A 14 1.795 1.484 8.247 1.00 0.00 O ATOM 180 CB GLU A 14 0.146 3.952 8.424 1.00 0.00 C ATOM 181 CG GLU A 14 -0.346 5.376 8.625 1.00 0.00 C ATOM 182 CD GLU A 14 -1.849 5.453 8.807 1.00 0.00 C ATOM 183 OE1 GLU A 14 -2.316 5.308 9.956 1.00 0.00 O ATOM 184 OE2 GLU A 14 -2.558 5.660 7.800 1.00 0.00 O ATOM 0 H GLU A 14 1.679 2.985 6.081 1.00 0.00 H new ATOM 0 HA GLU A 14 2.152 4.724 8.378 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -0.479 3.463 7.677 1.00 0.00 H new ATOM 0 HB3 GLU A 14 0.023 3.399 9.355 1.00 0.00 H new ATOM 0 HG2 GLU A 14 0.145 5.806 9.498 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -0.056 5.981 7.766 1.00 0.00 H new ATOM 191 N HIS A 15 3.291 2.763 9.338 1.00 0.00 N ATOM 192 CA HIS A 15 3.989 1.629 9.934 1.00 0.00 C ATOM 193 C HIS A 15 4.248 1.869 11.419 1.00 0.00 C ATOM 194 O HIS A 15 5.269 2.445 11.796 1.00 0.00 O ATOM 195 CB HIS A 15 5.312 1.378 9.209 1.00 0.00 C ATOM 196 CG HIS A 15 5.812 -0.027 9.344 1.00 0.00 C ATOM 197 ND1 HIS A 15 5.893 -0.684 10.554 1.00 0.00 N ATOM 198 CD2 HIS A 15 6.257 -0.902 8.413 1.00 0.00 C ATOM 199 CE1 HIS A 15 6.368 -1.901 10.361 1.00 0.00 C ATOM 200 NE2 HIS A 15 6.597 -2.059 9.070 1.00 0.00 N ATOM 0 H HIS A 15 3.675 3.674 9.589 1.00 0.00 H new ATOM 0 HA HIS A 15 3.354 0.749 9.831 1.00 0.00 H new ATOM 0 HB2 HIS A 15 5.187 1.610 8.151 1.00 0.00 H new ATOM 0 HB3 HIS A 15 6.066 2.062 9.599 1.00 0.00 H new ATOM 0 HD1 HIS A 15 5.627 -0.291 11.457 1.00 0.00 H new ATOM 0 HD2 HIS A 15 6.331 -0.724 7.350 1.00 0.00 H new ATOM 0 HE1 HIS A 15 6.540 -2.641 11.128 1.00 0.00 H new ATOM 209 N ARG A 16 3.316 1.426 12.256 1.00 0.00 N ATOM 210 CA ARG A 16 3.442 1.595 13.699 1.00 0.00 C ATOM 211 C ARG A 16 3.921 3.003 14.041 1.00 0.00 C ATOM 212 O ARG A 16 4.888 3.178 14.781 1.00 0.00 O ATOM 213 CB ARG A 16 4.413 0.561 14.272 1.00 0.00 C ATOM 214 CG ARG A 16 3.983 -0.877 14.033 1.00 0.00 C ATOM 215 CD ARG A 16 5.181 -1.809 13.938 1.00 0.00 C ATOM 216 NE ARG A 16 5.556 -2.351 15.241 1.00 0.00 N ATOM 217 CZ ARG A 16 4.800 -3.199 15.930 1.00 0.00 C ATOM 218 NH1 ARG A 16 3.635 -3.600 15.442 1.00 0.00 N ATOM 219 NH2 ARG A 16 5.211 -3.649 17.109 1.00 0.00 N ATOM 0 H ARG A 16 2.465 0.947 11.960 1.00 0.00 H new ATOM 0 HA ARG A 16 2.459 1.446 14.145 1.00 0.00 H new ATOM 0 HB2 ARG A 16 5.397 0.715 13.830 1.00 0.00 H new ATOM 0 HB3 ARG A 16 4.516 0.727 15.344 1.00 0.00 H new ATOM 0 HG2 ARG A 16 3.331 -1.202 14.844 1.00 0.00 H new ATOM 0 HG3 ARG A 16 3.401 -0.936 13.113 1.00 0.00 H new ATOM 0 HD2 ARG A 16 4.950 -2.628 13.257 1.00 0.00 H new ATOM 0 HD3 ARG A 16 6.027 -1.270 13.512 1.00 0.00 H new ATOM 0 HE ARG A 16 6.447 -2.063 15.644 1.00 0.00 H new ATOM 0 HH11 ARG A 16 3.317 -3.258 14.535 1.00 0.00 H new ATOM 0 HH12 ARG A 16 3.057 -4.251 15.973 1.00 0.00 H new ATOM 0 HH21 ARG A 16 6.108 -3.344 17.487 1.00 0.00 H new ATOM 0 HH22 ARG A 16 4.630 -4.300 17.637 1.00 0.00 H new ATOM 233 N GLY A 17 3.236 4.004 13.498 1.00 0.00 N ATOM 234 CA GLY A 17 3.606 5.383 13.757 1.00 0.00 C ATOM 235 C GLY A 17 4.294 6.031 12.571 1.00 0.00 C ATOM 236 O GLY A 17 4.028 7.188 12.249 1.00 0.00 O ATOM 0 H GLY A 17 2.431 3.885 12.883 1.00 0.00 H new ATOM 0 HA2 GLY A 17 2.713 5.954 14.012 1.00 0.00 H new ATOM 0 HA3 GLY A 17 4.267 5.422 14.623 1.00 0.00 H new ATOM 240 N GLU A 18 5.181 5.284 11.923 1.00 0.00 N ATOM 241 CA GLU A 18 5.910 5.794 10.768 1.00 0.00 C ATOM 242 C GLU A 18 4.954 6.146 9.632 1.00 0.00 C ATOM 243 O GLU A 18 4.278 5.276 9.083 1.00 0.00 O ATOM 244 CB GLU A 18 6.935 4.764 10.287 1.00 0.00 C ATOM 245 CG GLU A 18 8.291 4.895 10.959 1.00 0.00 C ATOM 246 CD GLU A 18 9.216 5.846 10.225 1.00 0.00 C ATOM 247 OE1 GLU A 18 8.806 6.998 9.973 1.00 0.00 O ATOM 248 OE2 GLU A 18 10.352 5.437 9.903 1.00 0.00 O ATOM 0 H GLU A 18 5.412 4.324 12.178 1.00 0.00 H new ATOM 0 HA GLU A 18 6.433 6.700 11.073 1.00 0.00 H new ATOM 0 HB2 GLU A 18 6.544 3.763 10.469 1.00 0.00 H new ATOM 0 HB3 GLU A 18 7.062 4.866 9.209 1.00 0.00 H new ATOM 0 HG2 GLU A 18 8.153 5.245 11.982 1.00 0.00 H new ATOM 0 HG3 GLU A 18 8.759 3.912 11.019 1.00 0.00 H new ATOM 255 N LYS A 19 4.903 7.427 9.285 1.00 0.00 N ATOM 256 CA LYS A 19 4.031 7.896 8.214 1.00 0.00 C ATOM 257 C LYS A 19 4.847 8.455 7.053 1.00 0.00 C ATOM 258 O LYS A 19 5.794 9.214 7.257 1.00 0.00 O ATOM 259 CB LYS A 19 3.073 8.967 8.741 1.00 0.00 C ATOM 260 CG LYS A 19 2.005 8.423 9.673 1.00 0.00 C ATOM 261 CD LYS A 19 1.393 9.524 10.523 1.00 0.00 C ATOM 262 CE LYS A 19 0.353 8.972 11.486 1.00 0.00 C ATOM 263 NZ LYS A 19 -0.647 10.005 11.874 1.00 0.00 N ATOM 0 H LYS A 19 5.456 8.160 9.730 1.00 0.00 H new ATOM 0 HA LYS A 19 3.452 7.046 7.852 1.00 0.00 H new ATOM 0 HB2 LYS A 19 3.648 9.730 9.267 1.00 0.00 H new ATOM 0 HB3 LYS A 19 2.590 9.458 7.896 1.00 0.00 H new ATOM 0 HG2 LYS A 19 1.224 7.937 9.088 1.00 0.00 H new ATOM 0 HG3 LYS A 19 2.439 7.661 10.320 1.00 0.00 H new ATOM 0 HD2 LYS A 19 2.178 10.030 11.085 1.00 0.00 H new ATOM 0 HD3 LYS A 19 0.932 10.270 9.876 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -0.158 8.127 11.024 1.00 0.00 H new ATOM 0 HE3 LYS A 19 0.850 8.594 12.379 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -1.338 9.590 12.531 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -0.163 10.800 12.338 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -1.139 10.348 11.025 1.00 0.00 H new ATOM 277 N ARG A 20 4.472 8.075 5.836 1.00 0.00 N ATOM 278 CA ARG A 20 5.170 8.539 4.642 1.00 0.00 C ATOM 279 C ARG A 20 4.218 8.617 3.452 1.00 0.00 C ATOM 280 O ARG A 20 3.671 7.604 3.015 1.00 0.00 O ATOM 281 CB ARG A 20 6.339 7.608 4.314 1.00 0.00 C ATOM 282 CG ARG A 20 7.654 8.036 4.945 1.00 0.00 C ATOM 283 CD ARG A 20 8.167 9.332 4.336 1.00 0.00 C ATOM 284 NE ARG A 20 9.048 9.090 3.196 1.00 0.00 N ATOM 285 CZ ARG A 20 9.898 9.992 2.720 1.00 0.00 C ATOM 286 NH1 ARG A 20 9.982 11.190 3.281 1.00 0.00 N ATOM 287 NH2 ARG A 20 10.667 9.697 1.679 1.00 0.00 N ATOM 0 H ARG A 20 3.689 7.448 5.650 1.00 0.00 H new ATOM 0 HA ARG A 20 5.556 9.538 4.843 1.00 0.00 H new ATOM 0 HB2 ARG A 20 6.095 6.600 4.650 1.00 0.00 H new ATOM 0 HB3 ARG A 20 6.463 7.562 3.232 1.00 0.00 H new ATOM 0 HG2 ARG A 20 7.519 8.166 6.019 1.00 0.00 H new ATOM 0 HG3 ARG A 20 8.397 7.250 4.810 1.00 0.00 H new ATOM 0 HD2 ARG A 20 7.322 9.942 4.018 1.00 0.00 H new ATOM 0 HD3 ARG A 20 8.704 9.901 5.095 1.00 0.00 H new ATOM 0 HE ARG A 20 9.008 8.178 2.741 1.00 0.00 H new ATOM 0 HH11 ARG A 20 9.393 11.421 4.081 1.00 0.00 H new ATOM 0 HH12 ARG A 20 10.636 11.881 2.913 1.00 0.00 H new ATOM 0 HH21 ARG A 20 10.605 8.777 1.244 1.00 0.00 H new ATOM 0 HH22 ARG A 20 11.320 10.391 1.314 1.00 0.00 H new ATOM 301 N ILE A 21 4.026 9.825 2.933 1.00 0.00 N ATOM 302 CA ILE A 21 3.141 10.034 1.794 1.00 0.00 C ATOM 303 C ILE A 21 3.903 9.921 0.478 1.00 0.00 C ATOM 304 O ILE A 21 5.025 10.415 0.353 1.00 0.00 O ATOM 305 CB ILE A 21 2.455 11.412 1.860 1.00 0.00 C ATOM 306 CG1 ILE A 21 1.367 11.413 2.936 1.00 0.00 C ATOM 307 CG2 ILE A 21 1.866 11.775 0.505 1.00 0.00 C ATOM 308 CD1 ILE A 21 0.793 12.784 3.213 1.00 0.00 C ATOM 0 H ILE A 21 4.471 10.673 3.283 1.00 0.00 H new ATOM 0 HA ILE A 21 2.380 9.255 1.839 1.00 0.00 H new ATOM 0 HB ILE A 21 3.202 12.161 2.123 1.00 0.00 H new ATOM 0 HG12 ILE A 21 0.562 10.746 2.628 1.00 0.00 H new ATOM 0 HG13 ILE A 21 1.780 11.008 3.860 1.00 0.00 H new ATOM 0 HG21 ILE A 21 1.385 12.751 0.567 1.00 0.00 H new ATOM 0 HG22 ILE A 21 2.661 11.809 -0.240 1.00 0.00 H new ATOM 0 HG23 ILE A 21 1.130 11.025 0.216 1.00 0.00 H new ATOM 0 HD11 ILE A 21 0.028 12.709 3.986 1.00 0.00 H new ATOM 0 HD12 ILE A 21 1.587 13.449 3.552 1.00 0.00 H new ATOM 0 HD13 ILE A 21 0.350 13.184 2.301 1.00 0.00 H new ATOM 320 N LEU A 22 3.287 9.270 -0.502 1.00 0.00 N ATOM 321 CA LEU A 22 3.906 9.093 -1.811 1.00 0.00 C ATOM 322 C LEU A 22 2.992 9.607 -2.919 1.00 0.00 C ATOM 323 O LEU A 22 1.807 9.851 -2.696 1.00 0.00 O ATOM 324 CB LEU A 22 4.233 7.618 -2.047 1.00 0.00 C ATOM 325 CG LEU A 22 5.538 7.112 -1.431 1.00 0.00 C ATOM 326 CD1 LEU A 22 5.384 6.933 0.071 1.00 0.00 C ATOM 327 CD2 LEU A 22 5.966 5.807 -2.085 1.00 0.00 C ATOM 0 H LEU A 22 2.359 8.856 -0.415 1.00 0.00 H new ATOM 0 HA LEU A 22 4.830 9.671 -1.830 1.00 0.00 H new ATOM 0 HB2 LEU A 22 3.413 7.017 -1.654 1.00 0.00 H new ATOM 0 HB3 LEU A 22 4.270 7.442 -3.122 1.00 0.00 H new ATOM 0 HG LEU A 22 6.315 7.856 -1.610 1.00 0.00 H new ATOM 0 HD11 LEU A 22 6.322 6.572 0.493 1.00 0.00 H new ATOM 0 HD12 LEU A 22 5.125 7.889 0.527 1.00 0.00 H new ATOM 0 HD13 LEU A 22 4.594 6.209 0.272 1.00 0.00 H new ATOM 0 HD21 LEU A 22 6.896 5.462 -1.634 1.00 0.00 H new ATOM 0 HD22 LEU A 22 5.191 5.055 -1.938 1.00 0.00 H new ATOM 0 HD23 LEU A 22 6.118 5.968 -3.152 1.00 0.00 H new ATOM 339 N GLN A 23 3.552 9.766 -4.114 1.00 0.00 N ATOM 340 CA GLN A 23 2.787 10.249 -5.257 1.00 0.00 C ATOM 341 C GLN A 23 3.142 9.469 -6.519 1.00 0.00 C ATOM 342 O GLN A 23 4.279 9.513 -6.989 1.00 0.00 O ATOM 343 CB GLN A 23 3.045 11.741 -5.477 1.00 0.00 C ATOM 344 CG GLN A 23 2.383 12.632 -4.438 1.00 0.00 C ATOM 345 CD GLN A 23 2.385 14.095 -4.837 1.00 0.00 C ATOM 346 OE1 GLN A 23 3.441 14.720 -4.940 1.00 0.00 O ATOM 347 NE2 GLN A 23 1.200 14.649 -5.065 1.00 0.00 N ATOM 0 H GLN A 23 4.532 9.567 -4.315 1.00 0.00 H new ATOM 0 HA GLN A 23 1.729 10.098 -5.043 1.00 0.00 H new ATOM 0 HB2 GLN A 23 4.120 11.921 -5.466 1.00 0.00 H new ATOM 0 HB3 GLN A 23 2.685 12.022 -6.467 1.00 0.00 H new ATOM 0 HG2 GLN A 23 1.355 12.303 -4.284 1.00 0.00 H new ATOM 0 HG3 GLN A 23 2.900 12.519 -3.485 1.00 0.00 H new ATOM 0 HE21 GLN A 23 0.350 14.093 -4.968 1.00 0.00 H new ATOM 0 HE22 GLN A 23 1.140 15.630 -5.337 1.00 0.00 H new ATOM 356 N PHE A 24 2.161 8.756 -7.063 1.00 0.00 N ATOM 357 CA PHE A 24 2.370 7.964 -8.269 1.00 0.00 C ATOM 358 C PHE A 24 1.422 8.406 -9.380 1.00 0.00 C ATOM 359 O PHE A 24 0.205 8.245 -9.293 1.00 0.00 O ATOM 360 CB PHE A 24 2.167 6.477 -7.971 1.00 0.00 C ATOM 361 CG PHE A 24 3.061 5.956 -6.883 1.00 0.00 C ATOM 362 CD1 PHE A 24 2.722 6.124 -5.550 1.00 0.00 C ATOM 363 CD2 PHE A 24 4.240 5.298 -7.192 1.00 0.00 C ATOM 364 CE1 PHE A 24 3.544 5.647 -4.546 1.00 0.00 C ATOM 365 CE2 PHE A 24 5.066 4.818 -6.193 1.00 0.00 C ATOM 366 CZ PHE A 24 4.716 4.992 -4.868 1.00 0.00 C ATOM 0 H PHE A 24 1.214 8.711 -6.688 1.00 0.00 H new ATOM 0 HA PHE A 24 3.395 8.123 -8.605 1.00 0.00 H new ATOM 0 HB2 PHE A 24 1.128 6.310 -7.687 1.00 0.00 H new ATOM 0 HB3 PHE A 24 2.345 5.905 -8.881 1.00 0.00 H new ATOM 0 HD1 PHE A 24 1.805 6.633 -5.292 1.00 0.00 H new ATOM 0 HD2 PHE A 24 4.517 5.158 -8.226 1.00 0.00 H new ATOM 0 HE1 PHE A 24 3.270 5.787 -3.511 1.00 0.00 H new ATOM 0 HE2 PHE A 24 5.983 4.308 -6.448 1.00 0.00 H new ATOM 0 HZ PHE A 24 5.358 4.616 -4.085 1.00 0.00 H new ATOM 376 N PRO A 25 1.993 8.977 -10.452 1.00 0.00 N ATOM 377 CA PRO A 25 1.218 9.454 -11.601 1.00 0.00 C ATOM 378 C PRO A 25 0.616 8.310 -12.409 1.00 0.00 C ATOM 379 O PRO A 25 1.336 7.543 -13.049 1.00 0.00 O ATOM 380 CB PRO A 25 2.253 10.212 -12.436 1.00 0.00 C ATOM 381 CG PRO A 25 3.559 9.599 -12.069 1.00 0.00 C ATOM 382 CD PRO A 25 3.438 9.200 -10.624 1.00 0.00 C ATOM 0 HA PRO A 25 0.368 10.063 -11.295 1.00 0.00 H new ATOM 0 HB2 PRO A 25 2.053 10.109 -13.503 1.00 0.00 H new ATOM 0 HB3 PRO A 25 2.239 11.278 -12.211 1.00 0.00 H new ATOM 0 HG2 PRO A 25 3.774 8.734 -12.696 1.00 0.00 H new ATOM 0 HG3 PRO A 25 4.376 10.306 -12.211 1.00 0.00 H new ATOM 0 HD2 PRO A 25 4.012 8.300 -10.406 1.00 0.00 H new ATOM 0 HD3 PRO A 25 3.806 9.981 -9.959 1.00 0.00 H new ATOM 390 N ARG A 26 -0.708 8.201 -12.376 1.00 0.00 N ATOM 391 CA ARG A 26 -1.407 7.149 -13.106 1.00 0.00 C ATOM 392 C ARG A 26 -0.898 7.052 -14.541 1.00 0.00 C ATOM 393 O ARG A 26 -0.501 8.044 -15.153 1.00 0.00 O ATOM 394 CB ARG A 26 -2.914 7.413 -13.105 1.00 0.00 C ATOM 395 CG ARG A 26 -3.607 6.981 -11.823 1.00 0.00 C ATOM 396 CD ARG A 26 -5.120 7.047 -11.958 1.00 0.00 C ATOM 397 NE ARG A 26 -5.673 5.821 -12.526 1.00 0.00 N ATOM 398 CZ ARG A 26 -5.840 5.625 -13.829 1.00 0.00 C ATOM 399 NH1 ARG A 26 -5.499 6.570 -14.694 1.00 0.00 N ATOM 400 NH2 ARG A 26 -6.350 4.482 -14.269 1.00 0.00 N ATOM 0 H ARG A 26 -1.319 8.828 -11.852 1.00 0.00 H new ATOM 0 HA ARG A 26 -1.210 6.201 -12.604 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -3.088 8.478 -13.261 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -3.367 6.889 -13.947 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -3.307 5.964 -11.571 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -3.286 7.621 -11.001 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -5.564 7.225 -10.978 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -5.391 7.893 -12.589 1.00 0.00 H new ATOM 0 HE ARG A 26 -5.946 5.074 -11.887 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -5.107 7.450 -14.359 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -5.628 6.417 -15.694 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -6.614 3.753 -13.606 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -6.478 4.332 -15.270 1.00 0.00 H new ATOM 414 N PRO A 27 -0.907 5.829 -15.091 1.00 0.00 N ATOM 415 CA PRO A 27 -1.377 4.641 -14.372 1.00 0.00 C ATOM 416 C PRO A 27 -0.432 4.234 -13.247 1.00 0.00 C ATOM 417 O PRO A 27 0.789 4.277 -13.401 1.00 0.00 O ATOM 418 CB PRO A 27 -1.413 3.562 -15.457 1.00 0.00 C ATOM 419 CG PRO A 27 -0.417 4.009 -16.470 1.00 0.00 C ATOM 420 CD PRO A 27 -0.461 5.512 -16.458 1.00 0.00 C ATOM 0 HA PRO A 27 -2.339 4.810 -13.888 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -1.153 2.584 -15.051 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -2.408 3.472 -15.893 1.00 0.00 H new ATOM 0 HG2 PRO A 27 0.581 3.646 -16.223 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -0.663 3.619 -17.458 1.00 0.00 H new ATOM 0 HD2 PRO A 27 0.516 5.944 -16.672 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -1.152 5.900 -17.206 1.00 0.00 H new ATOM 428 N VAL A 28 -1.004 3.838 -12.114 1.00 0.00 N ATOM 429 CA VAL A 28 -0.212 3.421 -10.963 1.00 0.00 C ATOM 430 C VAL A 28 0.096 1.929 -11.019 1.00 0.00 C ATOM 431 O VAL A 28 -0.748 1.123 -11.411 1.00 0.00 O ATOM 432 CB VAL A 28 -0.937 3.735 -9.640 1.00 0.00 C ATOM 433 CG1 VAL A 28 -0.160 3.174 -8.459 1.00 0.00 C ATOM 434 CG2 VAL A 28 -1.144 5.234 -9.489 1.00 0.00 C ATOM 0 H VAL A 28 -2.013 3.797 -11.969 1.00 0.00 H new ATOM 0 HA VAL A 28 0.721 3.983 -11.000 1.00 0.00 H new ATOM 0 HB VAL A 28 -1.916 3.256 -9.660 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -0.687 3.406 -7.534 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -0.069 2.093 -8.564 1.00 0.00 H new ATOM 0 HG13 VAL A 28 0.834 3.621 -8.432 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -1.657 5.438 -8.549 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -0.177 5.737 -9.491 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -1.746 5.604 -10.319 1.00 0.00 H new ATOM 444 N LYS A 29 1.312 1.567 -10.624 1.00 0.00 N ATOM 445 CA LYS A 29 1.734 0.171 -10.627 1.00 0.00 C ATOM 446 C LYS A 29 1.945 -0.336 -9.204 1.00 0.00 C ATOM 447 O LYS A 29 2.529 0.354 -8.368 1.00 0.00 O ATOM 448 CB LYS A 29 3.024 0.009 -11.435 1.00 0.00 C ATOM 449 CG LYS A 29 2.917 0.523 -12.860 1.00 0.00 C ATOM 450 CD LYS A 29 2.299 -0.514 -13.783 1.00 0.00 C ATOM 451 CE LYS A 29 1.599 0.139 -14.965 1.00 0.00 C ATOM 452 NZ LYS A 29 2.550 0.466 -16.062 1.00 0.00 N ATOM 0 H LYS A 29 2.023 2.221 -10.298 1.00 0.00 H new ATOM 0 HA LYS A 29 0.945 -0.421 -11.091 1.00 0.00 H new ATOM 0 HB2 LYS A 29 3.830 0.538 -10.926 1.00 0.00 H new ATOM 0 HB3 LYS A 29 3.299 -1.046 -11.458 1.00 0.00 H new ATOM 0 HG2 LYS A 29 2.314 1.431 -12.876 1.00 0.00 H new ATOM 0 HG3 LYS A 29 3.908 0.792 -13.226 1.00 0.00 H new ATOM 0 HD2 LYS A 29 3.075 -1.189 -14.145 1.00 0.00 H new ATOM 0 HD3 LYS A 29 1.585 -1.120 -13.225 1.00 0.00 H new ATOM 0 HE2 LYS A 29 0.825 -0.529 -15.343 1.00 0.00 H new ATOM 0 HE3 LYS A 29 1.100 1.050 -14.634 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 2.034 0.909 -16.848 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 3.274 1.124 -15.709 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 3.008 -0.406 -16.396 1.00 0.00 H new ATOM 466 N LEU A 30 1.469 -1.547 -8.936 1.00 0.00 N ATOM 467 CA LEU A 30 1.607 -2.148 -7.614 1.00 0.00 C ATOM 468 C LEU A 30 3.074 -2.233 -7.205 1.00 0.00 C ATOM 469 O LEU A 30 3.430 -1.924 -6.069 1.00 0.00 O ATOM 470 CB LEU A 30 0.980 -3.544 -7.599 1.00 0.00 C ATOM 471 CG LEU A 30 1.099 -4.318 -6.286 1.00 0.00 C ATOM 472 CD1 LEU A 30 0.274 -3.652 -5.196 1.00 0.00 C ATOM 473 CD2 LEU A 30 0.664 -5.764 -6.478 1.00 0.00 C ATOM 0 H LEU A 30 0.984 -2.132 -9.617 1.00 0.00 H new ATOM 0 HA LEU A 30 1.085 -1.514 -6.897 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -0.077 -3.449 -7.847 1.00 0.00 H new ATOM 0 HB3 LEU A 30 1.441 -4.136 -8.390 1.00 0.00 H new ATOM 0 HG LEU A 30 2.144 -4.311 -5.977 1.00 0.00 H new ATOM 0 HD11 LEU A 30 0.371 -4.217 -4.269 1.00 0.00 H new ATOM 0 HD12 LEU A 30 0.632 -2.634 -5.040 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -0.773 -3.626 -5.497 1.00 0.00 H new ATOM 0 HD21 LEU A 30 0.755 -6.300 -5.533 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -0.373 -5.791 -6.812 1.00 0.00 H new ATOM 0 HD23 LEU A 30 1.298 -6.238 -7.227 1.00 0.00 H new ATOM 485 N GLU A 31 3.921 -2.651 -8.141 1.00 0.00 N ATOM 486 CA GLU A 31 5.350 -2.775 -7.877 1.00 0.00 C ATOM 487 C GLU A 31 5.959 -1.418 -7.535 1.00 0.00 C ATOM 488 O GLU A 31 6.838 -1.319 -6.680 1.00 0.00 O ATOM 489 CB GLU A 31 6.065 -3.376 -9.089 1.00 0.00 C ATOM 490 CG GLU A 31 6.390 -2.360 -10.170 1.00 0.00 C ATOM 491 CD GLU A 31 7.716 -1.663 -9.936 1.00 0.00 C ATOM 492 OE1 GLU A 31 8.204 -1.688 -8.787 1.00 0.00 O ATOM 493 OE2 GLU A 31 8.266 -1.092 -10.901 1.00 0.00 O ATOM 0 H GLU A 31 3.643 -2.909 -9.088 1.00 0.00 H new ATOM 0 HA GLU A 31 5.480 -3.439 -7.022 1.00 0.00 H new ATOM 0 HB2 GLU A 31 6.989 -3.849 -8.757 1.00 0.00 H new ATOM 0 HB3 GLU A 31 5.441 -4.161 -9.516 1.00 0.00 H new ATOM 0 HG2 GLU A 31 6.413 -2.860 -11.138 1.00 0.00 H new ATOM 0 HG3 GLU A 31 5.595 -1.615 -10.214 1.00 0.00 H new ATOM 500 N ASP A 32 5.485 -0.377 -8.210 1.00 0.00 N ATOM 501 CA ASP A 32 5.982 0.975 -7.979 1.00 0.00 C ATOM 502 C ASP A 32 5.768 1.391 -6.527 1.00 0.00 C ATOM 503 O ASP A 32 6.681 1.900 -5.875 1.00 0.00 O ATOM 504 CB ASP A 32 5.285 1.964 -8.914 1.00 0.00 C ATOM 505 CG ASP A 32 5.921 2.007 -10.290 1.00 0.00 C ATOM 506 OD1 ASP A 32 6.131 0.926 -10.880 1.00 0.00 O ATOM 507 OD2 ASP A 32 6.208 3.120 -10.776 1.00 0.00 O ATOM 0 H ASP A 32 4.757 -0.443 -8.922 1.00 0.00 H new ATOM 0 HA ASP A 32 7.052 0.983 -8.187 1.00 0.00 H new ATOM 0 HB2 ASP A 32 4.235 1.689 -9.011 1.00 0.00 H new ATOM 0 HB3 ASP A 32 5.315 2.960 -8.472 1.00 0.00 H new ATOM 512 N LEU A 33 4.557 1.172 -6.026 1.00 0.00 N ATOM 513 CA LEU A 33 4.223 1.525 -4.651 1.00 0.00 C ATOM 514 C LEU A 33 5.185 0.864 -3.669 1.00 0.00 C ATOM 515 O LEU A 33 5.745 1.524 -2.794 1.00 0.00 O ATOM 516 CB LEU A 33 2.785 1.110 -4.332 1.00 0.00 C ATOM 517 CG LEU A 33 1.693 2.094 -4.751 1.00 0.00 C ATOM 518 CD1 LEU A 33 0.403 1.356 -5.071 1.00 0.00 C ATOM 519 CD2 LEU A 33 1.461 3.130 -3.660 1.00 0.00 C ATOM 0 H LEU A 33 3.790 0.752 -6.552 1.00 0.00 H new ATOM 0 HA LEU A 33 4.314 2.606 -4.548 1.00 0.00 H new ATOM 0 HB2 LEU A 33 2.589 0.153 -4.816 1.00 0.00 H new ATOM 0 HB3 LEU A 33 2.705 0.946 -3.257 1.00 0.00 H new ATOM 0 HG LEU A 33 2.024 2.612 -5.651 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -0.363 2.073 -5.367 1.00 0.00 H new ATOM 0 HD12 LEU A 33 0.578 0.654 -5.887 1.00 0.00 H new ATOM 0 HD13 LEU A 33 0.067 0.811 -4.189 1.00 0.00 H new ATOM 0 HD21 LEU A 33 0.680 3.822 -3.976 1.00 0.00 H new ATOM 0 HD22 LEU A 33 1.153 2.629 -2.742 1.00 0.00 H new ATOM 0 HD23 LEU A 33 2.384 3.682 -3.480 1.00 0.00 H new ATOM 531 N ARG A 34 5.374 -0.442 -3.823 1.00 0.00 N ATOM 532 CA ARG A 34 6.269 -1.193 -2.951 1.00 0.00 C ATOM 533 C ARG A 34 7.699 -0.670 -3.060 1.00 0.00 C ATOM 534 O ARG A 34 8.328 -0.341 -2.054 1.00 0.00 O ATOM 535 CB ARG A 34 6.231 -2.681 -3.304 1.00 0.00 C ATOM 536 CG ARG A 34 4.826 -3.259 -3.354 1.00 0.00 C ATOM 537 CD ARG A 34 4.844 -4.735 -3.722 1.00 0.00 C ATOM 538 NE ARG A 34 5.295 -5.570 -2.611 1.00 0.00 N ATOM 539 CZ ARG A 34 5.526 -6.873 -2.719 1.00 0.00 C ATOM 540 NH1 ARG A 34 5.350 -7.487 -3.881 1.00 0.00 N ATOM 541 NH2 ARG A 34 5.934 -7.565 -1.663 1.00 0.00 N ATOM 0 H ARG A 34 4.919 -1.002 -4.544 1.00 0.00 H new ATOM 0 HA ARG A 34 5.929 -1.062 -1.924 1.00 0.00 H new ATOM 0 HB2 ARG A 34 6.710 -2.829 -4.272 1.00 0.00 H new ATOM 0 HB3 ARG A 34 6.817 -3.235 -2.570 1.00 0.00 H new ATOM 0 HG2 ARG A 34 4.344 -3.130 -2.385 1.00 0.00 H new ATOM 0 HG3 ARG A 34 4.230 -2.708 -4.082 1.00 0.00 H new ATOM 0 HD2 ARG A 34 3.844 -5.045 -4.026 1.00 0.00 H new ATOM 0 HD3 ARG A 34 5.500 -4.887 -4.579 1.00 0.00 H new ATOM 0 HE ARG A 34 5.440 -5.128 -1.703 1.00 0.00 H new ATOM 0 HH11 ARG A 34 5.036 -6.958 -4.695 1.00 0.00 H new ATOM 0 HH12 ARG A 34 5.528 -8.488 -3.961 1.00 0.00 H new ATOM 0 HH21 ARG A 34 6.070 -7.096 -0.768 1.00 0.00 H new ATOM 0 HH22 ARG A 34 6.111 -8.566 -1.747 1.00 0.00 H new ATOM 555 N SER A 35 8.205 -0.596 -4.287 1.00 0.00 N ATOM 556 CA SER A 35 9.561 -0.117 -4.527 1.00 0.00 C ATOM 557 C SER A 35 9.863 1.109 -3.671 1.00 0.00 C ATOM 558 O SER A 35 10.822 1.121 -2.899 1.00 0.00 O ATOM 559 CB SER A 35 9.751 0.220 -6.007 1.00 0.00 C ATOM 560 OG SER A 35 11.101 0.042 -6.401 1.00 0.00 O ATOM 0 H SER A 35 7.696 -0.862 -5.130 1.00 0.00 H new ATOM 0 HA SER A 35 10.255 -0.911 -4.251 1.00 0.00 H new ATOM 0 HB2 SER A 35 9.105 -0.415 -6.614 1.00 0.00 H new ATOM 0 HB3 SER A 35 9.448 1.251 -6.190 1.00 0.00 H new ATOM 0 HG SER A 35 11.196 0.262 -7.351 1.00 0.00 H new ATOM 566 N LYS A 36 9.038 2.141 -3.815 1.00 0.00 N ATOM 567 CA LYS A 36 9.214 3.373 -3.056 1.00 0.00 C ATOM 568 C LYS A 36 9.259 3.088 -1.558 1.00 0.00 C ATOM 569 O LYS A 36 10.278 3.312 -0.904 1.00 0.00 O ATOM 570 CB LYS A 36 8.081 4.353 -3.365 1.00 0.00 C ATOM 571 CG LYS A 36 7.960 4.698 -4.840 1.00 0.00 C ATOM 572 CD LYS A 36 9.133 5.539 -5.314 1.00 0.00 C ATOM 573 CE LYS A 36 9.044 6.965 -4.790 1.00 0.00 C ATOM 574 NZ LYS A 36 9.703 7.110 -3.462 1.00 0.00 N ATOM 0 H LYS A 36 8.241 2.148 -4.451 1.00 0.00 H new ATOM 0 HA LYS A 36 10.163 3.819 -3.352 1.00 0.00 H new ATOM 0 HB2 LYS A 36 7.139 3.926 -3.022 1.00 0.00 H new ATOM 0 HB3 LYS A 36 8.240 5.270 -2.798 1.00 0.00 H new ATOM 0 HG2 LYS A 36 7.909 3.780 -5.426 1.00 0.00 H new ATOM 0 HG3 LYS A 36 7.030 5.239 -5.013 1.00 0.00 H new ATOM 0 HD2 LYS A 36 10.066 5.085 -4.980 1.00 0.00 H new ATOM 0 HD3 LYS A 36 9.157 5.551 -6.404 1.00 0.00 H new ATOM 0 HE2 LYS A 36 9.511 7.644 -5.503 1.00 0.00 H new ATOM 0 HE3 LYS A 36 7.997 7.258 -4.710 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 8.995 7.383 -2.751 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 10.136 6.205 -3.189 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 10.438 7.843 -3.518 1.00 0.00 H new ATOM 588 N ALA A 37 8.149 2.592 -1.021 1.00 0.00 N ATOM 589 CA ALA A 37 8.064 2.273 0.399 1.00 0.00 C ATOM 590 C ALA A 37 9.323 1.557 0.877 1.00 0.00 C ATOM 591 O ALA A 37 9.742 1.716 2.024 1.00 0.00 O ATOM 592 CB ALA A 37 6.833 1.422 0.675 1.00 0.00 C ATOM 0 H ALA A 37 7.296 2.402 -1.548 1.00 0.00 H new ATOM 0 HA ALA A 37 7.978 3.208 0.952 1.00 0.00 H new ATOM 0 HB1 ALA A 37 6.782 1.191 1.739 1.00 0.00 H new ATOM 0 HB2 ALA A 37 5.938 1.970 0.379 1.00 0.00 H new ATOM 0 HB3 ALA A 37 6.896 0.495 0.105 1.00 0.00 H new ATOM 598 N LYS A 38 9.922 0.768 -0.008 1.00 0.00 N ATOM 599 CA LYS A 38 11.133 0.028 0.323 1.00 0.00 C ATOM 600 C LYS A 38 12.348 0.950 0.338 1.00 0.00 C ATOM 601 O LYS A 38 13.273 0.761 1.129 1.00 0.00 O ATOM 602 CB LYS A 38 11.354 -1.105 -0.682 1.00 0.00 C ATOM 603 CG LYS A 38 12.588 -1.942 -0.395 1.00 0.00 C ATOM 604 CD LYS A 38 13.055 -2.691 -1.631 1.00 0.00 C ATOM 605 CE LYS A 38 14.539 -3.016 -1.560 1.00 0.00 C ATOM 606 NZ LYS A 38 14.946 -3.984 -2.615 1.00 0.00 N ATOM 0 H LYS A 38 9.588 0.625 -0.961 1.00 0.00 H new ATOM 0 HA LYS A 38 11.008 -0.396 1.319 1.00 0.00 H new ATOM 0 HB2 LYS A 38 10.478 -1.754 -0.684 1.00 0.00 H new ATOM 0 HB3 LYS A 38 11.438 -0.680 -1.682 1.00 0.00 H new ATOM 0 HG2 LYS A 38 13.390 -1.298 -0.035 1.00 0.00 H new ATOM 0 HG3 LYS A 38 12.369 -2.653 0.401 1.00 0.00 H new ATOM 0 HD2 LYS A 38 12.484 -3.614 -1.735 1.00 0.00 H new ATOM 0 HD3 LYS A 38 12.855 -2.090 -2.518 1.00 0.00 H new ATOM 0 HE2 LYS A 38 15.117 -2.098 -1.667 1.00 0.00 H new ATOM 0 HE3 LYS A 38 14.774 -3.428 -0.579 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 15.964 -4.179 -2.533 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 14.413 -4.869 -2.498 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 14.746 -3.580 -3.552 1.00 0.00 H new ATOM 620 N ILE A 39 12.338 1.949 -0.538 1.00 0.00 N ATOM 621 CA ILE A 39 13.437 2.902 -0.622 1.00 0.00 C ATOM 622 C ILE A 39 13.363 3.928 0.505 1.00 0.00 C ATOM 623 O ILE A 39 14.381 4.296 1.090 1.00 0.00 O ATOM 624 CB ILE A 39 13.441 3.640 -1.973 1.00 0.00 C ATOM 625 CG1 ILE A 39 13.557 2.640 -3.125 1.00 0.00 C ATOM 626 CG2 ILE A 39 14.579 4.649 -2.024 1.00 0.00 C ATOM 627 CD1 ILE A 39 12.918 3.120 -4.410 1.00 0.00 C ATOM 0 H ILE A 39 11.581 2.119 -1.200 1.00 0.00 H new ATOM 0 HA ILE A 39 14.359 2.328 -0.528 1.00 0.00 H new ATOM 0 HB ILE A 39 12.499 4.179 -2.077 1.00 0.00 H new ATOM 0 HG12 ILE A 39 14.611 2.431 -3.309 1.00 0.00 H new ATOM 0 HG13 ILE A 39 13.093 1.700 -2.827 1.00 0.00 H new ATOM 0 HG21 ILE A 39 14.568 5.162 -2.986 1.00 0.00 H new ATOM 0 HG22 ILE A 39 14.456 5.377 -1.223 1.00 0.00 H new ATOM 0 HG23 ILE A 39 15.530 4.131 -1.900 1.00 0.00 H new ATOM 0 HD11 ILE A 39 13.039 2.360 -5.182 1.00 0.00 H new ATOM 0 HD12 ILE A 39 11.856 3.302 -4.243 1.00 0.00 H new ATOM 0 HD13 ILE A 39 13.398 4.044 -4.732 1.00 0.00 H new ATOM 639 N ALA A 40 12.151 4.383 0.804 1.00 0.00 N ATOM 640 CA ALA A 40 11.943 5.363 1.863 1.00 0.00 C ATOM 641 C ALA A 40 12.263 4.769 3.231 1.00 0.00 C ATOM 642 O ALA A 40 12.907 5.410 4.061 1.00 0.00 O ATOM 643 CB ALA A 40 10.513 5.880 1.830 1.00 0.00 C ATOM 0 H ALA A 40 11.298 4.089 0.328 1.00 0.00 H new ATOM 0 HA ALA A 40 12.623 6.198 1.691 1.00 0.00 H new ATOM 0 HB1 ALA A 40 10.372 6.611 2.626 1.00 0.00 H new ATOM 0 HB2 ALA A 40 10.319 6.351 0.866 1.00 0.00 H new ATOM 0 HB3 ALA A 40 9.822 5.049 1.974 1.00 0.00 H new ATOM 649 N PHE A 41 11.807 3.542 3.459 1.00 0.00 N ATOM 650 CA PHE A 41 12.043 2.862 4.727 1.00 0.00 C ATOM 651 C PHE A 41 13.301 2.003 4.658 1.00 0.00 C ATOM 652 O PHE A 41 13.891 1.662 5.682 1.00 0.00 O ATOM 653 CB PHE A 41 10.838 1.994 5.096 1.00 0.00 C ATOM 654 CG PHE A 41 9.645 2.786 5.551 1.00 0.00 C ATOM 655 CD1 PHE A 41 9.092 3.760 4.735 1.00 0.00 C ATOM 656 CD2 PHE A 41 9.079 2.558 6.794 1.00 0.00 C ATOM 657 CE1 PHE A 41 7.994 4.490 5.150 1.00 0.00 C ATOM 658 CE2 PHE A 41 7.981 3.284 7.215 1.00 0.00 C ATOM 659 CZ PHE A 41 7.438 4.252 6.392 1.00 0.00 C ATOM 0 H PHE A 41 11.272 2.998 2.782 1.00 0.00 H new ATOM 0 HA PHE A 41 12.185 3.621 5.497 1.00 0.00 H new ATOM 0 HB2 PHE A 41 10.556 1.392 4.232 1.00 0.00 H new ATOM 0 HB3 PHE A 41 11.128 1.302 5.887 1.00 0.00 H new ATOM 0 HD1 PHE A 41 9.524 3.951 3.764 1.00 0.00 H new ATOM 0 HD2 PHE A 41 9.501 1.804 7.442 1.00 0.00 H new ATOM 0 HE1 PHE A 41 7.571 5.245 4.504 1.00 0.00 H new ATOM 0 HE2 PHE A 41 7.548 3.095 8.186 1.00 0.00 H new ATOM 0 HZ PHE A 41 6.581 4.821 6.719 1.00 0.00 H new ATOM 669 N GLY A 42 13.707 1.654 3.440 1.00 0.00 N ATOM 670 CA GLY A 42 14.892 0.837 3.258 1.00 0.00 C ATOM 671 C GLY A 42 14.672 -0.604 3.675 1.00 0.00 C ATOM 672 O GLY A 42 15.625 -1.372 3.801 1.00 0.00 O ATOM 0 H GLY A 42 13.236 1.923 2.576 1.00 0.00 H new ATOM 0 HA2 GLY A 42 15.193 0.867 2.211 1.00 0.00 H new ATOM 0 HA3 GLY A 42 15.713 1.259 3.838 1.00 0.00 H new ATOM 676 N GLN A 43 13.412 -0.970 3.890 1.00 0.00 N ATOM 677 CA GLN A 43 13.071 -2.328 4.297 1.00 0.00 C ATOM 678 C GLN A 43 11.838 -2.827 3.551 1.00 0.00 C ATOM 679 O GLN A 43 10.838 -2.117 3.442 1.00 0.00 O ATOM 680 CB GLN A 43 12.827 -2.384 5.806 1.00 0.00 C ATOM 681 CG GLN A 43 12.337 -1.070 6.393 1.00 0.00 C ATOM 682 CD GLN A 43 12.070 -1.159 7.882 1.00 0.00 C ATOM 683 OE1 GLN A 43 11.355 -2.199 8.294 1.00 0.00 O flip ATOM 684 NE2 GLN A 43 12.501 -0.303 8.654 1.00 0.00 N flip ATOM 0 H GLN A 43 12.612 -0.346 3.789 1.00 0.00 H new ATOM 0 HA GLN A 43 13.910 -2.977 4.047 1.00 0.00 H new ATOM 0 HB2 GLN A 43 12.094 -3.163 6.018 1.00 0.00 H new ATOM 0 HB3 GLN A 43 13.752 -2.672 6.305 1.00 0.00 H new ATOM 0 HG2 GLN A 43 13.080 -0.294 6.207 1.00 0.00 H new ATOM 0 HG3 GLN A 43 11.424 -0.766 5.882 1.00 0.00 H new ATOM 0 HE21 GLN A 43 13.046 0.480 8.294 1.00 0.00 H new ATOM 0 HE22 GLN A 43 12.313 -0.377 9.654 1.00 0.00 H new ATOM 693 N SER A 44 11.916 -4.051 3.040 1.00 0.00 N ATOM 694 CA SER A 44 10.808 -4.643 2.300 1.00 0.00 C ATOM 695 C SER A 44 9.607 -4.873 3.213 1.00 0.00 C ATOM 696 O SER A 44 9.733 -5.466 4.284 1.00 0.00 O ATOM 697 CB SER A 44 11.240 -5.965 1.663 1.00 0.00 C ATOM 698 OG SER A 44 11.619 -6.907 2.652 1.00 0.00 O ATOM 0 H SER A 44 12.735 -4.653 3.125 1.00 0.00 H new ATOM 0 HA SER A 44 10.516 -3.948 1.513 1.00 0.00 H new ATOM 0 HB2 SER A 44 10.423 -6.369 1.066 1.00 0.00 H new ATOM 0 HB3 SER A 44 12.075 -5.790 0.984 1.00 0.00 H new ATOM 0 HG SER A 44 11.889 -7.744 2.220 1.00 0.00 H new ATOM 704 N MET A 45 8.444 -4.399 2.780 1.00 0.00 N ATOM 705 CA MET A 45 7.219 -4.554 3.557 1.00 0.00 C ATOM 706 C MET A 45 6.000 -4.622 2.643 1.00 0.00 C ATOM 707 O MET A 45 5.962 -3.978 1.595 1.00 0.00 O ATOM 708 CB MET A 45 7.067 -3.396 4.545 1.00 0.00 C ATOM 709 CG MET A 45 7.597 -2.073 4.017 1.00 0.00 C ATOM 710 SD MET A 45 8.014 -0.915 5.335 1.00 0.00 S ATOM 711 CE MET A 45 9.291 -1.829 6.197 1.00 0.00 C ATOM 0 H MET A 45 8.323 -3.905 1.896 1.00 0.00 H new ATOM 0 HA MET A 45 7.286 -5.489 4.112 1.00 0.00 H new ATOM 0 HB2 MET A 45 6.013 -3.281 4.798 1.00 0.00 H new ATOM 0 HB3 MET A 45 7.591 -3.645 5.468 1.00 0.00 H new ATOM 0 HG2 MET A 45 8.482 -2.258 3.408 1.00 0.00 H new ATOM 0 HG3 MET A 45 6.850 -1.621 3.365 1.00 0.00 H new ATOM 0 HE1 MET A 45 9.281 -1.560 7.253 1.00 0.00 H new ATOM 0 HE2 MET A 45 9.106 -2.898 6.093 1.00 0.00 H new ATOM 0 HE3 MET A 45 10.264 -1.586 5.770 1.00 0.00 H new ATOM 721 N ASP A 46 5.006 -5.405 3.048 1.00 0.00 N ATOM 722 CA ASP A 46 3.785 -5.556 2.265 1.00 0.00 C ATOM 723 C ASP A 46 2.944 -4.284 2.320 1.00 0.00 C ATOM 724 O ASP A 46 3.151 -3.426 3.179 1.00 0.00 O ATOM 725 CB ASP A 46 2.969 -6.744 2.777 1.00 0.00 C ATOM 726 CG ASP A 46 3.608 -8.075 2.433 1.00 0.00 C ATOM 727 OD1 ASP A 46 4.529 -8.498 3.163 1.00 0.00 O ATOM 728 OD2 ASP A 46 3.185 -8.695 1.435 1.00 0.00 O ATOM 0 H ASP A 46 5.022 -5.945 3.913 1.00 0.00 H new ATOM 0 HA ASP A 46 4.068 -5.739 1.228 1.00 0.00 H new ATOM 0 HB2 ASP A 46 2.858 -6.666 3.859 1.00 0.00 H new ATOM 0 HB3 ASP A 46 1.967 -6.704 2.350 1.00 0.00 H new ATOM 733 N LEU A 47 1.995 -4.169 1.397 1.00 0.00 N ATOM 734 CA LEU A 47 1.122 -3.001 1.339 1.00 0.00 C ATOM 735 C LEU A 47 -0.334 -3.398 1.560 1.00 0.00 C ATOM 736 O LEU A 47 -0.957 -4.019 0.699 1.00 0.00 O ATOM 737 CB LEU A 47 1.271 -2.295 -0.010 1.00 0.00 C ATOM 738 CG LEU A 47 2.388 -1.255 -0.103 1.00 0.00 C ATOM 739 CD1 LEU A 47 3.750 -1.928 -0.041 1.00 0.00 C ATOM 740 CD2 LEU A 47 2.251 -0.439 -1.381 1.00 0.00 C ATOM 0 H LEU A 47 1.810 -4.870 0.679 1.00 0.00 H new ATOM 0 HA LEU A 47 1.418 -2.317 2.135 1.00 0.00 H new ATOM 0 HB2 LEU A 47 1.441 -3.051 -0.776 1.00 0.00 H new ATOM 0 HB3 LEU A 47 0.326 -1.807 -0.248 1.00 0.00 H new ATOM 0 HG LEU A 47 2.301 -0.579 0.747 1.00 0.00 H new ATOM 0 HD11 LEU A 47 4.533 -1.172 -0.109 1.00 0.00 H new ATOM 0 HD12 LEU A 47 3.847 -2.467 0.901 1.00 0.00 H new ATOM 0 HD13 LEU A 47 3.848 -2.627 -0.871 1.00 0.00 H new ATOM 0 HD21 LEU A 47 3.054 0.296 -1.431 1.00 0.00 H new ATOM 0 HD22 LEU A 47 2.312 -1.102 -2.244 1.00 0.00 H new ATOM 0 HD23 LEU A 47 1.289 0.074 -1.384 1.00 0.00 H new ATOM 752 N HIS A 48 -0.872 -3.033 2.720 1.00 0.00 N ATOM 753 CA HIS A 48 -2.256 -3.348 3.053 1.00 0.00 C ATOM 754 C HIS A 48 -3.093 -2.077 3.161 1.00 0.00 C ATOM 755 O HIS A 48 -2.915 -1.282 4.085 1.00 0.00 O ATOM 756 CB HIS A 48 -2.322 -4.129 4.366 1.00 0.00 C ATOM 757 CG HIS A 48 -1.768 -5.517 4.266 1.00 0.00 C ATOM 758 ND1 HIS A 48 -0.626 -5.822 3.557 1.00 0.00 N ATOM 759 CD2 HIS A 48 -2.206 -6.685 4.793 1.00 0.00 C ATOM 760 CE1 HIS A 48 -0.386 -7.118 3.650 1.00 0.00 C ATOM 761 NE2 HIS A 48 -1.330 -7.664 4.395 1.00 0.00 N ATOM 0 H HIS A 48 -0.370 -2.519 3.444 1.00 0.00 H new ATOM 0 HA HIS A 48 -2.665 -3.963 2.252 1.00 0.00 H new ATOM 0 HB2 HIS A 48 -1.773 -3.582 5.133 1.00 0.00 H new ATOM 0 HB3 HIS A 48 -3.360 -4.184 4.695 1.00 0.00 H new ATOM 0 HD2 HIS A 48 -3.081 -6.821 5.411 1.00 0.00 H new ATOM 0 HE1 HIS A 48 0.441 -7.642 3.194 1.00 0.00 H new ATOM 0 HE2 HIS A 48 -1.397 -8.653 4.636 1.00 0.00 H new ATOM 770 N TYR A 49 -4.003 -1.891 2.212 1.00 0.00 N ATOM 771 CA TYR A 49 -4.864 -0.714 2.199 1.00 0.00 C ATOM 772 C TYR A 49 -6.266 -1.060 2.690 1.00 0.00 C ATOM 773 O TYR A 49 -6.827 -2.094 2.327 1.00 0.00 O ATOM 774 CB TYR A 49 -4.936 -0.125 0.789 1.00 0.00 C ATOM 775 CG TYR A 49 -6.105 -0.636 -0.022 1.00 0.00 C ATOM 776 CD1 TYR A 49 -6.074 -1.899 -0.602 1.00 0.00 C ATOM 777 CD2 TYR A 49 -7.239 0.143 -0.211 1.00 0.00 C ATOM 778 CE1 TYR A 49 -7.139 -2.370 -1.344 1.00 0.00 C ATOM 779 CE2 TYR A 49 -8.310 -0.321 -0.950 1.00 0.00 C ATOM 780 CZ TYR A 49 -8.255 -1.578 -1.515 1.00 0.00 C ATOM 781 OH TYR A 49 -9.319 -2.043 -2.254 1.00 0.00 O ATOM 0 H TYR A 49 -4.164 -2.540 1.442 1.00 0.00 H new ATOM 0 HA TYR A 49 -4.435 0.027 2.874 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -5.001 0.961 0.861 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -4.010 -0.354 0.261 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -5.202 -2.522 -0.470 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -7.284 1.129 0.227 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -7.098 -3.354 -1.788 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -9.185 0.297 -1.085 1.00 0.00 H new ATOM 0 HH TYR A 49 -10.024 -1.363 -2.276 1.00 0.00 H new ATOM 791 N THR A 50 -6.828 -0.185 3.518 1.00 0.00 N ATOM 792 CA THR A 50 -8.165 -0.396 4.061 1.00 0.00 C ATOM 793 C THR A 50 -9.182 0.516 3.386 1.00 0.00 C ATOM 794 O THR A 50 -9.039 1.738 3.397 1.00 0.00 O ATOM 795 CB THR A 50 -8.199 -0.149 5.581 1.00 0.00 C ATOM 796 OG1 THR A 50 -8.215 1.257 5.848 1.00 0.00 O ATOM 797 CG2 THR A 50 -6.997 -0.786 6.260 1.00 0.00 C ATOM 0 H THR A 50 -6.378 0.677 3.827 1.00 0.00 H new ATOM 0 HA THR A 50 -8.426 -1.436 3.864 1.00 0.00 H new ATOM 0 HB THR A 50 -9.105 -0.605 5.981 1.00 0.00 H new ATOM 0 HG1 THR A 50 -8.205 1.751 5.002 1.00 0.00 H new ATOM 0 HG21 THR A 50 -7.043 -0.598 7.333 1.00 0.00 H new ATOM 0 HG22 THR A 50 -7.004 -1.861 6.079 1.00 0.00 H new ATOM 0 HG23 THR A 50 -6.081 -0.356 5.855 1.00 0.00 H new ATOM 805 N ASN A 51 -10.211 -0.086 2.798 1.00 0.00 N ATOM 806 CA ASN A 51 -11.254 0.674 2.118 1.00 0.00 C ATOM 807 C ASN A 51 -12.128 1.419 3.122 1.00 0.00 C ATOM 808 O ASN A 51 -12.187 2.648 3.117 1.00 0.00 O ATOM 809 CB ASN A 51 -12.119 -0.258 1.265 1.00 0.00 C ATOM 810 CG ASN A 51 -13.374 0.424 0.756 1.00 0.00 C ATOM 811 OD1 ASN A 51 -13.575 1.619 0.971 1.00 0.00 O ATOM 812 ND2 ASN A 51 -14.225 -0.336 0.076 1.00 0.00 N ATOM 0 H ASN A 51 -10.345 -1.097 2.779 1.00 0.00 H new ATOM 0 HA ASN A 51 -10.771 1.406 1.471 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -11.535 -0.617 0.418 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -12.397 -1.132 1.854 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -15.087 0.067 -0.292 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -14.017 -1.323 -0.078 1.00 0.00 H new ATOM 819 N ASN A 52 -12.804 0.665 3.983 1.00 0.00 N ATOM 820 CA ASN A 52 -13.675 1.254 4.994 1.00 0.00 C ATOM 821 C ASN A 52 -13.303 0.758 6.388 1.00 0.00 C ATOM 822 O ASN A 52 -12.688 1.481 7.171 1.00 0.00 O ATOM 823 CB ASN A 52 -15.138 0.920 4.694 1.00 0.00 C ATOM 824 CG ASN A 52 -15.311 -0.488 4.159 1.00 0.00 C ATOM 825 OD1 ASN A 52 -14.583 -0.918 3.264 1.00 0.00 O ATOM 826 ND2 ASN A 52 -16.279 -1.214 4.705 1.00 0.00 N ATOM 0 H ASN A 52 -12.766 -0.354 4.001 1.00 0.00 H new ATOM 0 HA ASN A 52 -13.544 2.336 4.966 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -15.728 1.035 5.603 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -15.529 1.632 3.968 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -16.443 -2.168 4.385 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -16.859 -0.817 5.445 1.00 0.00 H new ATOM 833 N GLU A 53 -13.681 -0.480 6.690 1.00 0.00 N ATOM 834 CA GLU A 53 -13.388 -1.072 7.989 1.00 0.00 C ATOM 835 C GLU A 53 -12.573 -2.353 7.832 1.00 0.00 C ATOM 836 O GLU A 53 -11.986 -2.851 8.794 1.00 0.00 O ATOM 837 CB GLU A 53 -14.685 -1.369 8.744 1.00 0.00 C ATOM 838 CG GLU A 53 -15.859 -1.689 7.835 1.00 0.00 C ATOM 839 CD GLU A 53 -16.854 -2.636 8.477 1.00 0.00 C ATOM 840 OE1 GLU A 53 -16.443 -3.745 8.877 1.00 0.00 O ATOM 841 OE2 GLU A 53 -18.043 -2.268 8.580 1.00 0.00 O ATOM 0 H GLU A 53 -14.191 -1.092 6.053 1.00 0.00 H new ATOM 0 HA GLU A 53 -12.799 -0.355 8.561 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -14.519 -2.209 9.418 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -14.940 -0.509 9.363 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -16.367 -0.763 7.565 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -15.488 -2.131 6.910 1.00 0.00 H new ATOM 848 N LEU A 54 -12.543 -2.882 6.614 1.00 0.00 N ATOM 849 CA LEU A 54 -11.801 -4.105 6.329 1.00 0.00 C ATOM 850 C LEU A 54 -10.390 -3.787 5.845 1.00 0.00 C ATOM 851 O LEU A 54 -9.998 -2.622 5.764 1.00 0.00 O ATOM 852 CB LEU A 54 -12.537 -4.938 5.278 1.00 0.00 C ATOM 853 CG LEU A 54 -13.761 -5.711 5.771 1.00 0.00 C ATOM 854 CD1 LEU A 54 -15.017 -4.864 5.638 1.00 0.00 C ATOM 855 CD2 LEU A 54 -13.912 -7.017 5.003 1.00 0.00 C ATOM 0 H LEU A 54 -13.024 -2.483 5.808 1.00 0.00 H new ATOM 0 HA LEU A 54 -11.727 -4.679 7.253 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -12.851 -4.274 4.472 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -11.832 -5.649 4.848 1.00 0.00 H new ATOM 0 HG LEU A 54 -13.617 -5.947 6.825 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -15.877 -5.431 5.994 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -14.909 -3.957 6.233 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -15.166 -4.596 4.592 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -14.788 -7.554 5.367 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -14.033 -6.803 3.941 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -13.023 -7.631 5.150 1.00 0.00 H new ATOM 867 N VAL A 55 -9.632 -4.829 5.522 1.00 0.00 N ATOM 868 CA VAL A 55 -8.265 -4.661 5.042 1.00 0.00 C ATOM 869 C VAL A 55 -7.994 -5.548 3.832 1.00 0.00 C ATOM 870 O VAL A 55 -8.294 -6.742 3.846 1.00 0.00 O ATOM 871 CB VAL A 55 -7.239 -4.986 6.144 1.00 0.00 C ATOM 872 CG1 VAL A 55 -5.821 -4.803 5.624 1.00 0.00 C ATOM 873 CG2 VAL A 55 -7.483 -4.119 7.370 1.00 0.00 C ATOM 0 H VAL A 55 -9.941 -5.799 5.584 1.00 0.00 H new ATOM 0 HA VAL A 55 -8.157 -3.615 4.753 1.00 0.00 H new ATOM 0 HB VAL A 55 -7.361 -6.029 6.435 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -5.110 -5.037 6.416 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -5.655 -5.470 4.778 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -5.681 -3.770 5.304 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -6.749 -4.361 8.139 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -7.389 -3.068 7.097 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -8.486 -4.306 7.754 1.00 0.00 H new ATOM 883 N ILE A 56 -7.424 -4.957 2.788 1.00 0.00 N ATOM 884 CA ILE A 56 -7.111 -5.695 1.570 1.00 0.00 C ATOM 885 C ILE A 56 -5.622 -5.619 1.249 1.00 0.00 C ATOM 886 O ILE A 56 -5.095 -4.571 0.875 1.00 0.00 O ATOM 887 CB ILE A 56 -7.912 -5.163 0.367 1.00 0.00 C ATOM 888 CG1 ILE A 56 -9.340 -4.817 0.791 1.00 0.00 C ATOM 889 CG2 ILE A 56 -7.920 -6.187 -0.758 1.00 0.00 C ATOM 890 CD1 ILE A 56 -9.493 -3.401 1.301 1.00 0.00 C ATOM 0 H ILE A 56 -7.169 -3.970 2.761 1.00 0.00 H new ATOM 0 HA ILE A 56 -7.389 -6.733 1.750 1.00 0.00 H new ATOM 0 HB ILE A 56 -7.432 -4.255 0.002 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -10.008 -4.963 -0.058 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -9.658 -5.511 1.569 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -8.490 -5.797 -1.601 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -6.896 -6.388 -1.074 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -8.379 -7.111 -0.406 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -10.531 -3.226 1.583 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -8.851 -3.256 2.170 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -9.207 -2.699 0.518 1.00 0.00 H new ATOM 902 N PRO A 57 -4.926 -6.756 1.397 1.00 0.00 N ATOM 903 CA PRO A 57 -3.488 -6.845 1.125 1.00 0.00 C ATOM 904 C PRO A 57 -3.170 -6.729 -0.362 1.00 0.00 C ATOM 905 O PRO A 57 -3.395 -7.665 -1.130 1.00 0.00 O ATOM 906 CB PRO A 57 -3.114 -8.236 1.644 1.00 0.00 C ATOM 907 CG PRO A 57 -4.378 -9.020 1.570 1.00 0.00 C ATOM 908 CD PRO A 57 -5.489 -8.043 1.839 1.00 0.00 C ATOM 0 HA PRO A 57 -2.934 -6.035 1.598 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -2.331 -8.688 1.035 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -2.736 -8.189 2.665 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -4.494 -9.482 0.589 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -4.381 -9.826 2.304 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -6.392 -8.298 1.284 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -5.759 -8.022 2.895 1.00 0.00 H new ATOM 916 N LEU A 58 -2.647 -5.575 -0.761 1.00 0.00 N ATOM 917 CA LEU A 58 -2.298 -5.336 -2.158 1.00 0.00 C ATOM 918 C LEU A 58 -1.224 -6.313 -2.625 1.00 0.00 C ATOM 919 O LEU A 58 -0.029 -6.052 -2.486 1.00 0.00 O ATOM 920 CB LEU A 58 -1.811 -3.898 -2.343 1.00 0.00 C ATOM 921 CG LEU A 58 -2.889 -2.814 -2.306 1.00 0.00 C ATOM 922 CD1 LEU A 58 -2.292 -1.482 -1.877 1.00 0.00 C ATOM 923 CD2 LEU A 58 -3.563 -2.686 -3.664 1.00 0.00 C ATOM 0 H LEU A 58 -2.455 -4.790 -0.138 1.00 0.00 H new ATOM 0 HA LEU A 58 -3.192 -5.491 -2.762 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -1.079 -3.681 -1.565 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -1.290 -3.832 -3.298 1.00 0.00 H new ATOM 0 HG LEU A 58 -3.643 -3.103 -1.574 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -3.074 -0.723 -1.856 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -1.857 -1.582 -0.883 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -1.517 -1.186 -2.584 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -4.327 -1.910 -3.619 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -2.820 -2.420 -4.416 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -4.026 -3.636 -3.932 1.00 0.00 H new ATOM 935 N THR A 59 -1.658 -7.439 -3.182 1.00 0.00 N ATOM 936 CA THR A 59 -0.735 -8.455 -3.672 1.00 0.00 C ATOM 937 C THR A 59 -0.693 -8.472 -5.195 1.00 0.00 C ATOM 938 O THR A 59 0.372 -8.618 -5.796 1.00 0.00 O ATOM 939 CB THR A 59 -1.122 -9.857 -3.165 1.00 0.00 C ATOM 940 OG1 THR A 59 -2.546 -10.007 -3.179 1.00 0.00 O ATOM 941 CG2 THR A 59 -0.597 -10.088 -1.756 1.00 0.00 C ATOM 0 H THR A 59 -2.644 -7.670 -3.305 1.00 0.00 H new ATOM 0 HA THR A 59 0.252 -8.197 -3.287 1.00 0.00 H new ATOM 0 HB THR A 59 -0.672 -10.596 -3.829 1.00 0.00 H new ATOM 0 HG1 THR A 59 -2.784 -10.901 -2.857 1.00 0.00 H new ATOM 0 HG21 THR A 59 -0.883 -11.085 -1.420 1.00 0.00 H new ATOM 0 HG22 THR A 59 0.490 -10.002 -1.754 1.00 0.00 H new ATOM 0 HG23 THR A 59 -1.021 -9.343 -1.083 1.00 0.00 H new ATOM 949 N THR A 60 -1.858 -8.320 -5.817 1.00 0.00 N ATOM 950 CA THR A 60 -1.954 -8.317 -7.271 1.00 0.00 C ATOM 951 C THR A 60 -2.465 -6.977 -7.786 1.00 0.00 C ATOM 952 O THR A 60 -3.165 -6.255 -7.077 1.00 0.00 O ATOM 953 CB THR A 60 -2.885 -9.436 -7.774 1.00 0.00 C ATOM 954 OG1 THR A 60 -4.220 -9.209 -7.309 1.00 0.00 O ATOM 955 CG2 THR A 60 -2.402 -10.798 -7.298 1.00 0.00 C ATOM 0 H THR A 60 -2.749 -8.197 -5.336 1.00 0.00 H new ATOM 0 HA THR A 60 -0.949 -8.490 -7.654 1.00 0.00 H new ATOM 0 HB THR A 60 -2.873 -9.425 -8.864 1.00 0.00 H new ATOM 0 HG1 THR A 60 -4.198 -8.616 -6.529 1.00 0.00 H new ATOM 0 HG21 THR A 60 -3.076 -11.572 -7.666 1.00 0.00 H new ATOM 0 HG22 THR A 60 -1.397 -10.981 -7.678 1.00 0.00 H new ATOM 0 HG23 THR A 60 -2.387 -10.818 -6.208 1.00 0.00 H new ATOM 963 N GLN A 61 -2.110 -6.650 -9.025 1.00 0.00 N ATOM 964 CA GLN A 61 -2.534 -5.395 -9.634 1.00 0.00 C ATOM 965 C GLN A 61 -4.043 -5.212 -9.511 1.00 0.00 C ATOM 966 O GLN A 61 -4.519 -4.141 -9.133 1.00 0.00 O ATOM 967 CB GLN A 61 -2.122 -5.354 -11.107 1.00 0.00 C ATOM 968 CG GLN A 61 -2.505 -4.062 -11.810 1.00 0.00 C ATOM 969 CD GLN A 61 -1.631 -2.893 -11.401 1.00 0.00 C ATOM 970 OE1 GLN A 61 -0.432 -3.050 -11.170 1.00 0.00 O ATOM 971 NE2 GLN A 61 -2.228 -1.710 -11.310 1.00 0.00 N ATOM 0 H GLN A 61 -1.531 -7.236 -9.626 1.00 0.00 H new ATOM 0 HA GLN A 61 -2.043 -4.579 -9.103 1.00 0.00 H new ATOM 0 HB2 GLN A 61 -1.043 -5.490 -11.178 1.00 0.00 H new ATOM 0 HB3 GLN A 61 -2.584 -6.192 -11.628 1.00 0.00 H new ATOM 0 HG2 GLN A 61 -2.433 -4.205 -12.888 1.00 0.00 H new ATOM 0 HG3 GLN A 61 -3.546 -3.827 -11.588 1.00 0.00 H new ATOM 0 HE21 GLN A 61 -3.224 -1.625 -11.510 1.00 0.00 H new ATOM 0 HE22 GLN A 61 -1.690 -0.887 -11.040 1.00 0.00 H new ATOM 980 N ASP A 62 -4.789 -6.263 -9.833 1.00 0.00 N ATOM 981 CA ASP A 62 -6.245 -6.218 -9.758 1.00 0.00 C ATOM 982 C ASP A 62 -6.702 -5.463 -8.514 1.00 0.00 C ATOM 983 O ASP A 62 -7.642 -4.670 -8.567 1.00 0.00 O ATOM 984 CB ASP A 62 -6.820 -7.635 -9.749 1.00 0.00 C ATOM 985 CG ASP A 62 -8.307 -7.658 -10.042 1.00 0.00 C ATOM 986 OD1 ASP A 62 -8.989 -6.660 -9.729 1.00 0.00 O ATOM 987 OD2 ASP A 62 -8.790 -8.675 -10.584 1.00 0.00 O ATOM 0 H ASP A 62 -4.410 -7.156 -10.148 1.00 0.00 H new ATOM 0 HA ASP A 62 -6.613 -5.690 -10.637 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -6.297 -8.241 -10.489 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -6.637 -8.092 -8.776 1.00 0.00 H new ATOM 992 N ASP A 63 -6.031 -5.715 -7.395 1.00 0.00 N ATOM 993 CA ASP A 63 -6.368 -5.059 -6.137 1.00 0.00 C ATOM 994 C ASP A 63 -6.068 -3.565 -6.205 1.00 0.00 C ATOM 995 O ASP A 63 -6.909 -2.735 -5.858 1.00 0.00 O ATOM 996 CB ASP A 63 -5.594 -5.696 -4.982 1.00 0.00 C ATOM 997 CG ASP A 63 -6.068 -7.102 -4.672 1.00 0.00 C ATOM 998 OD1 ASP A 63 -5.582 -8.049 -5.326 1.00 0.00 O ATOM 999 OD2 ASP A 63 -6.925 -7.256 -3.777 1.00 0.00 O ATOM 0 H ASP A 63 -5.251 -6.369 -7.334 1.00 0.00 H new ATOM 0 HA ASP A 63 -7.436 -5.188 -5.963 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -4.533 -5.720 -5.229 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -5.700 -5.076 -4.092 1.00 0.00 H new ATOM 1004 N LEU A 64 -4.863 -3.230 -6.655 1.00 0.00 N ATOM 1005 CA LEU A 64 -4.451 -1.835 -6.768 1.00 0.00 C ATOM 1006 C LEU A 64 -5.419 -1.050 -7.646 1.00 0.00 C ATOM 1007 O LEU A 64 -5.944 -0.014 -7.237 1.00 0.00 O ATOM 1008 CB LEU A 64 -3.036 -1.747 -7.344 1.00 0.00 C ATOM 1009 CG LEU A 64 -2.564 -0.351 -7.754 1.00 0.00 C ATOM 1010 CD1 LEU A 64 -2.603 0.596 -6.565 1.00 0.00 C ATOM 1011 CD2 LEU A 64 -1.163 -0.414 -8.343 1.00 0.00 C ATOM 0 H LEU A 64 -4.155 -3.904 -6.947 1.00 0.00 H new ATOM 0 HA LEU A 64 -4.459 -1.397 -5.770 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -2.339 -2.142 -6.605 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -2.979 -2.399 -8.216 1.00 0.00 H new ATOM 0 HG LEU A 64 -3.241 0.031 -8.518 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -2.264 1.584 -6.876 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -3.623 0.665 -6.188 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -1.950 0.219 -5.778 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -0.843 0.588 -8.629 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -0.474 -0.817 -7.601 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -1.166 -1.059 -9.222 1.00 0.00 H new ATOM 1023 N ASP A 65 -5.654 -1.551 -8.854 1.00 0.00 N ATOM 1024 CA ASP A 65 -6.563 -0.898 -9.789 1.00 0.00 C ATOM 1025 C ASP A 65 -7.931 -0.678 -9.153 1.00 0.00 C ATOM 1026 O ASP A 65 -8.564 0.359 -9.357 1.00 0.00 O ATOM 1027 CB ASP A 65 -6.706 -1.735 -11.062 1.00 0.00 C ATOM 1028 CG ASP A 65 -6.984 -0.885 -12.286 1.00 0.00 C ATOM 1029 OD1 ASP A 65 -6.363 0.190 -12.414 1.00 0.00 O ATOM 1030 OD2 ASP A 65 -7.824 -1.294 -13.115 1.00 0.00 O ATOM 0 H ASP A 65 -5.228 -2.407 -9.209 1.00 0.00 H new ATOM 0 HA ASP A 65 -6.143 0.074 -10.048 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -5.792 -2.308 -11.221 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -7.515 -2.454 -10.931 1.00 0.00 H new ATOM 1035 N LYS A 66 -8.384 -1.660 -8.382 1.00 0.00 N ATOM 1036 CA LYS A 66 -9.678 -1.575 -7.714 1.00 0.00 C ATOM 1037 C LYS A 66 -9.610 -0.639 -6.512 1.00 0.00 C ATOM 1038 O LYS A 66 -10.631 -0.131 -6.050 1.00 0.00 O ATOM 1039 CB LYS A 66 -10.137 -2.965 -7.266 1.00 0.00 C ATOM 1040 CG LYS A 66 -10.949 -3.705 -8.315 1.00 0.00 C ATOM 1041 CD LYS A 66 -11.679 -4.896 -7.717 1.00 0.00 C ATOM 1042 CE LYS A 66 -12.688 -5.479 -8.694 1.00 0.00 C ATOM 1043 NZ LYS A 66 -12.028 -6.049 -9.900 1.00 0.00 N ATOM 0 H LYS A 66 -7.874 -2.525 -8.204 1.00 0.00 H new ATOM 0 HA LYS A 66 -10.399 -1.173 -8.425 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -9.262 -3.562 -7.008 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -10.734 -2.867 -6.359 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -11.671 -3.023 -8.765 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -10.290 -4.045 -9.114 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -10.957 -5.663 -7.437 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -12.190 -4.590 -6.804 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -13.268 -6.256 -8.196 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -13.390 -4.702 -8.997 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -12.468 -6.961 -10.138 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -12.138 -5.392 -10.699 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -11.016 -6.193 -9.707 1.00 0.00 H new ATOM 1057 N ALA A 67 -8.400 -0.413 -6.012 1.00 0.00 N ATOM 1058 CA ALA A 67 -8.198 0.465 -4.866 1.00 0.00 C ATOM 1059 C ALA A 67 -8.028 1.914 -5.308 1.00 0.00 C ATOM 1060 O ALA A 67 -8.430 2.841 -4.604 1.00 0.00 O ATOM 1061 CB ALA A 67 -6.991 0.012 -4.059 1.00 0.00 C ATOM 0 H ALA A 67 -7.544 -0.826 -6.383 1.00 0.00 H new ATOM 0 HA ALA A 67 -9.085 0.407 -4.235 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -6.853 0.677 -3.207 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -7.152 -1.005 -3.703 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -6.101 0.039 -4.688 1.00 0.00 H new ATOM 1067 N VAL A 68 -7.428 2.104 -6.480 1.00 0.00 N ATOM 1068 CA VAL A 68 -7.204 3.441 -7.016 1.00 0.00 C ATOM 1069 C VAL A 68 -8.474 3.999 -7.649 1.00 0.00 C ATOM 1070 O VAL A 68 -8.723 5.203 -7.606 1.00 0.00 O ATOM 1071 CB VAL A 68 -6.077 3.443 -8.066 1.00 0.00 C ATOM 1072 CG1 VAL A 68 -5.868 4.843 -8.622 1.00 0.00 C ATOM 1073 CG2 VAL A 68 -4.789 2.901 -7.465 1.00 0.00 C ATOM 0 H VAL A 68 -7.089 1.349 -7.076 1.00 0.00 H new ATOM 0 HA VAL A 68 -6.911 4.073 -6.178 1.00 0.00 H new ATOM 0 HB VAL A 68 -6.369 2.791 -8.889 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -5.068 4.825 -9.362 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -6.789 5.189 -9.091 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -5.597 5.520 -7.812 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -4.003 2.909 -8.220 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -4.490 3.525 -6.623 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -4.950 1.880 -7.120 1.00 0.00 H new ATOM 1083 N GLU A 69 -9.274 3.114 -8.236 1.00 0.00 N ATOM 1084 CA GLU A 69 -10.519 3.519 -8.878 1.00 0.00 C ATOM 1085 C GLU A 69 -11.564 3.915 -7.839 1.00 0.00 C ATOM 1086 O GLU A 69 -12.351 4.838 -8.054 1.00 0.00 O ATOM 1087 CB GLU A 69 -11.059 2.386 -9.754 1.00 0.00 C ATOM 1088 CG GLU A 69 -11.606 1.211 -8.961 1.00 0.00 C ATOM 1089 CD GLU A 69 -12.022 0.053 -9.846 1.00 0.00 C ATOM 1090 OE1 GLU A 69 -11.708 0.088 -11.054 1.00 0.00 O ATOM 1091 OE2 GLU A 69 -12.662 -0.888 -9.331 1.00 0.00 O ATOM 0 H GLU A 69 -9.082 2.113 -8.280 1.00 0.00 H new ATOM 0 HA GLU A 69 -10.309 4.386 -9.505 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -11.848 2.779 -10.396 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -10.262 2.032 -10.408 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -10.849 0.870 -8.255 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -12.463 1.541 -8.374 1.00 0.00 H new ATOM 1098 N LEU A 70 -11.565 3.212 -6.712 1.00 0.00 N ATOM 1099 CA LEU A 70 -12.513 3.489 -5.639 1.00 0.00 C ATOM 1100 C LEU A 70 -12.135 4.766 -4.895 1.00 0.00 C ATOM 1101 O LEU A 70 -13.002 5.489 -4.401 1.00 0.00 O ATOM 1102 CB LEU A 70 -12.566 2.313 -4.662 1.00 0.00 C ATOM 1103 CG LEU A 70 -11.585 2.369 -3.490 1.00 0.00 C ATOM 1104 CD1 LEU A 70 -12.154 3.210 -2.358 1.00 0.00 C ATOM 1105 CD2 LEU A 70 -11.256 0.966 -3.001 1.00 0.00 C ATOM 0 H LEU A 70 -10.920 2.446 -6.518 1.00 0.00 H new ATOM 0 HA LEU A 70 -13.498 3.628 -6.085 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -13.577 2.245 -4.260 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -12.383 1.395 -5.220 1.00 0.00 H new ATOM 0 HG LEU A 70 -10.663 2.837 -3.835 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -11.442 3.239 -1.533 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -12.337 4.224 -2.714 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -13.091 2.771 -2.014 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -10.557 1.026 -2.167 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -12.170 0.471 -2.673 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -10.805 0.394 -3.812 1.00 0.00 H new ATOM 1117 N LEU A 71 -10.837 5.038 -4.820 1.00 0.00 N ATOM 1118 CA LEU A 71 -10.344 6.230 -4.139 1.00 0.00 C ATOM 1119 C LEU A 71 -10.845 7.497 -4.825 1.00 0.00 C ATOM 1120 O LEU A 71 -11.365 8.403 -4.174 1.00 0.00 O ATOM 1121 CB LEU A 71 -8.815 6.226 -4.105 1.00 0.00 C ATOM 1122 CG LEU A 71 -8.140 7.598 -4.068 1.00 0.00 C ATOM 1123 CD1 LEU A 71 -8.587 8.379 -2.842 1.00 0.00 C ATOM 1124 CD2 LEU A 71 -6.626 7.448 -4.085 1.00 0.00 C ATOM 0 H LEU A 71 -10.107 4.450 -5.222 1.00 0.00 H new ATOM 0 HA LEU A 71 -10.725 6.218 -3.118 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -8.493 5.661 -3.230 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -8.454 5.689 -4.982 1.00 0.00 H new ATOM 0 HG LEU A 71 -8.440 8.154 -4.957 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -8.097 9.352 -2.832 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -9.668 8.517 -2.873 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -8.317 7.828 -1.941 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -6.162 8.434 -4.058 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -6.307 6.874 -3.215 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -6.322 6.929 -4.994 1.00 0.00 H new ATOM 1136 N ASP A 72 -10.687 7.551 -6.143 1.00 0.00 N ATOM 1137 CA ASP A 72 -11.127 8.705 -6.918 1.00 0.00 C ATOM 1138 C ASP A 72 -12.618 8.960 -6.716 1.00 0.00 C ATOM 1139 O ASP A 72 -13.016 10.021 -6.234 1.00 0.00 O ATOM 1140 CB ASP A 72 -10.830 8.492 -8.403 1.00 0.00 C ATOM 1141 CG ASP A 72 -10.744 9.797 -9.170 1.00 0.00 C ATOM 1142 OD1 ASP A 72 -10.057 10.723 -8.689 1.00 0.00 O ATOM 1143 OD2 ASP A 72 -11.361 9.891 -10.251 1.00 0.00 O ATOM 0 H ASP A 72 -10.258 6.810 -6.697 1.00 0.00 H new ATOM 0 HA ASP A 72 -10.577 9.578 -6.567 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -9.890 7.950 -8.508 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -11.609 7.868 -8.840 1.00 0.00 H new ATOM 1148 N ARG A 73 -13.436 7.981 -7.089 1.00 0.00 N ATOM 1149 CA ARG A 73 -14.882 8.101 -6.950 1.00 0.00 C ATOM 1150 C ARG A 73 -15.264 8.461 -5.518 1.00 0.00 C ATOM 1151 O ARG A 73 -16.272 9.126 -5.282 1.00 0.00 O ATOM 1152 CB ARG A 73 -15.564 6.793 -7.358 1.00 0.00 C ATOM 1153 CG ARG A 73 -15.471 5.703 -6.302 1.00 0.00 C ATOM 1154 CD ARG A 73 -16.158 4.426 -6.759 1.00 0.00 C ATOM 1155 NE ARG A 73 -17.601 4.470 -6.539 1.00 0.00 N ATOM 1156 CZ ARG A 73 -18.161 4.451 -5.335 1.00 0.00 C ATOM 1157 NH1 ARG A 73 -17.404 4.388 -4.248 1.00 0.00 N ATOM 1158 NH2 ARG A 73 -19.482 4.495 -5.216 1.00 0.00 N ATOM 0 H ARG A 73 -13.122 7.097 -7.489 1.00 0.00 H new ATOM 0 HA ARG A 73 -15.220 8.901 -7.609 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -16.614 6.992 -7.571 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -15.114 6.431 -8.282 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -14.424 5.496 -6.083 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -15.928 6.052 -5.376 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -15.958 4.266 -7.819 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -15.736 3.576 -6.223 1.00 0.00 H new ATOM 0 HE ARG A 73 -18.212 4.518 -7.354 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -16.388 4.354 -4.335 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -17.837 4.374 -3.325 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -20.068 4.543 -6.050 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -19.911 4.480 -4.291 1.00 0.00 H new ATOM 1172 N SER A 74 -14.451 8.016 -4.565 1.00 0.00 N ATOM 1173 CA SER A 74 -14.705 8.288 -3.155 1.00 0.00 C ATOM 1174 C SER A 74 -14.187 9.670 -2.766 1.00 0.00 C ATOM 1175 O SER A 74 -12.980 9.913 -2.762 1.00 0.00 O ATOM 1176 CB SER A 74 -14.046 7.219 -2.281 1.00 0.00 C ATOM 1177 OG SER A 74 -12.640 7.213 -2.455 1.00 0.00 O ATOM 0 H SER A 74 -13.611 7.466 -4.744 1.00 0.00 H new ATOM 0 HA SER A 74 -15.783 8.265 -2.994 1.00 0.00 H new ATOM 0 HB2 SER A 74 -14.285 7.403 -1.234 1.00 0.00 H new ATOM 0 HB3 SER A 74 -14.451 6.239 -2.533 1.00 0.00 H new ATOM 0 HG SER A 74 -12.338 8.110 -2.708 1.00 0.00 H new ATOM 1183 N ILE A 75 -15.108 10.569 -2.439 1.00 0.00 N ATOM 1184 CA ILE A 75 -14.746 11.926 -2.047 1.00 0.00 C ATOM 1185 C ILE A 75 -14.145 11.951 -0.646 1.00 0.00 C ATOM 1186 O ILE A 75 -12.943 12.162 -0.478 1.00 0.00 O ATOM 1187 CB ILE A 75 -15.963 12.868 -2.089 1.00 0.00 C ATOM 1188 CG1 ILE A 75 -16.586 12.870 -3.487 1.00 0.00 C ATOM 1189 CG2 ILE A 75 -15.556 14.277 -1.683 1.00 0.00 C ATOM 1190 CD1 ILE A 75 -15.592 13.152 -4.591 1.00 0.00 C ATOM 0 H ILE A 75 -16.111 10.383 -2.438 1.00 0.00 H new ATOM 0 HA ILE A 75 -14.003 12.274 -2.765 1.00 0.00 H new ATOM 0 HB ILE A 75 -16.708 12.507 -1.380 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -17.054 11.902 -3.669 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -17.378 13.618 -3.522 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -16.427 14.931 -1.718 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -15.153 14.262 -0.670 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -14.796 14.648 -2.370 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -16.103 13.138 -5.553 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -15.142 14.132 -4.434 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -14.813 12.390 -4.583 1.00 0.00 H new ATOM 1202 N HIS A 76 -14.989 11.734 0.358 1.00 0.00 N ATOM 1203 CA HIS A 76 -14.541 11.729 1.746 1.00 0.00 C ATOM 1204 C HIS A 76 -13.131 11.156 1.860 1.00 0.00 C ATOM 1205 O HIS A 76 -12.293 11.687 2.588 1.00 0.00 O ATOM 1206 CB HIS A 76 -15.505 10.919 2.612 1.00 0.00 C ATOM 1207 CG HIS A 76 -15.660 9.497 2.167 1.00 0.00 C ATOM 1208 ND1 HIS A 76 -15.378 8.419 2.979 1.00 0.00 N ATOM 1209 CD2 HIS A 76 -16.072 8.979 0.986 1.00 0.00 C ATOM 1210 CE1 HIS A 76 -15.609 7.299 2.316 1.00 0.00 C ATOM 1211 NE2 HIS A 76 -16.031 7.612 1.104 1.00 0.00 N ATOM 0 H HIS A 76 -15.987 11.559 0.236 1.00 0.00 H new ATOM 0 HA HIS A 76 -14.525 12.760 2.100 1.00 0.00 H new ATOM 0 HB2 HIS A 76 -15.152 10.932 3.643 1.00 0.00 H new ATOM 0 HB3 HIS A 76 -16.482 11.402 2.603 1.00 0.00 H new ATOM 0 HD2 HIS A 76 -16.376 9.538 0.113 1.00 0.00 H new ATOM 0 HE1 HIS A 76 -15.475 6.298 2.700 1.00 0.00 H new ATOM 0 HE2 HIS A 76 -16.285 6.946 0.374 1.00 0.00 H new ATOM 1220 N MET A 77 -12.879 10.071 1.137 1.00 0.00 N ATOM 1221 CA MET A 77 -11.570 9.426 1.157 1.00 0.00 C ATOM 1222 C MET A 77 -10.482 10.392 0.699 1.00 0.00 C ATOM 1223 O MET A 77 -10.395 10.731 -0.482 1.00 0.00 O ATOM 1224 CB MET A 77 -11.576 8.184 0.264 1.00 0.00 C ATOM 1225 CG MET A 77 -10.201 7.564 0.078 1.00 0.00 C ATOM 1226 SD MET A 77 -9.827 6.317 1.326 1.00 0.00 S ATOM 1227 CE MET A 77 -9.969 4.816 0.359 1.00 0.00 C ATOM 0 H MET A 77 -13.563 9.619 0.530 1.00 0.00 H new ATOM 0 HA MET A 77 -11.356 9.125 2.183 1.00 0.00 H new ATOM 0 HB2 MET A 77 -12.246 7.440 0.695 1.00 0.00 H new ATOM 0 HB3 MET A 77 -11.981 8.450 -0.712 1.00 0.00 H new ATOM 0 HG2 MET A 77 -10.142 7.111 -0.912 1.00 0.00 H new ATOM 0 HG3 MET A 77 -9.445 8.348 0.116 1.00 0.00 H new ATOM 0 HE1 MET A 77 -9.438 4.008 0.862 1.00 0.00 H new ATOM 0 HE2 MET A 77 -11.021 4.549 0.254 1.00 0.00 H new ATOM 0 HE3 MET A 77 -9.535 4.977 -0.628 1.00 0.00 H new ATOM 1237 N LYS A 78 -9.653 10.832 1.640 1.00 0.00 N ATOM 1238 CA LYS A 78 -8.569 11.758 1.333 1.00 0.00 C ATOM 1239 C LYS A 78 -7.565 11.122 0.377 1.00 0.00 C ATOM 1240 O LYS A 78 -7.092 11.767 -0.560 1.00 0.00 O ATOM 1241 CB LYS A 78 -7.862 12.190 2.619 1.00 0.00 C ATOM 1242 CG LYS A 78 -8.665 13.172 3.455 1.00 0.00 C ATOM 1243 CD LYS A 78 -7.778 13.934 4.425 1.00 0.00 C ATOM 1244 CE LYS A 78 -7.642 13.199 5.750 1.00 0.00 C ATOM 1245 NZ LYS A 78 -6.456 13.662 6.522 1.00 0.00 N ATOM 0 H LYS A 78 -9.711 10.562 2.622 1.00 0.00 H new ATOM 0 HA LYS A 78 -8.999 12.635 0.849 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -7.646 11.306 3.219 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -6.904 12.643 2.363 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -9.177 13.876 2.799 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -9.435 12.635 4.009 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -6.792 14.076 3.983 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -8.195 14.926 4.599 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -8.544 13.351 6.344 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -7.559 12.128 5.564 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -6.399 13.137 7.418 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -5.593 13.494 5.966 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -6.547 14.679 6.722 1.00 0.00 H new ATOM 1259 N SER A 79 -7.245 9.855 0.618 1.00 0.00 N ATOM 1260 CA SER A 79 -6.295 9.134 -0.221 1.00 0.00 C ATOM 1261 C SER A 79 -6.344 7.636 0.067 1.00 0.00 C ATOM 1262 O SER A 79 -7.130 7.177 0.897 1.00 0.00 O ATOM 1263 CB SER A 79 -4.878 9.663 0.005 1.00 0.00 C ATOM 1264 OG SER A 79 -4.886 11.061 0.235 1.00 0.00 O ATOM 0 H SER A 79 -7.629 9.306 1.387 1.00 0.00 H new ATOM 0 HA SER A 79 -6.573 9.295 -1.263 1.00 0.00 H new ATOM 0 HB2 SER A 79 -4.428 9.154 0.857 1.00 0.00 H new ATOM 0 HB3 SER A 79 -4.260 9.438 -0.864 1.00 0.00 H new ATOM 0 HG SER A 79 -5.360 11.510 -0.496 1.00 0.00 H new ATOM 1270 N LEU A 80 -5.498 6.880 -0.623 1.00 0.00 N ATOM 1271 CA LEU A 80 -5.443 5.433 -0.442 1.00 0.00 C ATOM 1272 C LEU A 80 -4.558 5.066 0.745 1.00 0.00 C ATOM 1273 O LEU A 80 -3.340 4.948 0.613 1.00 0.00 O ATOM 1274 CB LEU A 80 -4.917 4.761 -1.711 1.00 0.00 C ATOM 1275 CG LEU A 80 -4.837 3.234 -1.678 1.00 0.00 C ATOM 1276 CD1 LEU A 80 -6.216 2.623 -1.872 1.00 0.00 C ATOM 1277 CD2 LEU A 80 -3.872 2.727 -2.740 1.00 0.00 C ATOM 0 H LEU A 80 -4.841 7.244 -1.313 1.00 0.00 H new ATOM 0 HA LEU A 80 -6.454 5.078 -0.242 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -5.556 5.053 -2.544 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -3.921 5.153 -1.920 1.00 0.00 H new ATOM 0 HG LEU A 80 -4.462 2.930 -0.701 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -6.139 1.536 -1.846 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -6.879 2.959 -1.075 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -6.620 2.935 -2.835 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -3.828 1.639 -2.702 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -4.217 3.042 -3.725 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -2.879 3.137 -2.555 1.00 0.00 H new ATOM 1289 N LYS A 81 -5.180 4.886 1.906 1.00 0.00 N ATOM 1290 CA LYS A 81 -4.451 4.529 3.117 1.00 0.00 C ATOM 1291 C LYS A 81 -3.763 3.177 2.959 1.00 0.00 C ATOM 1292 O LYS A 81 -4.387 2.195 2.555 1.00 0.00 O ATOM 1293 CB LYS A 81 -5.401 4.492 4.316 1.00 0.00 C ATOM 1294 CG LYS A 81 -4.694 4.299 5.646 1.00 0.00 C ATOM 1295 CD LYS A 81 -5.603 4.638 6.816 1.00 0.00 C ATOM 1296 CE LYS A 81 -5.190 3.896 8.077 1.00 0.00 C ATOM 1297 NZ LYS A 81 -6.052 4.252 9.238 1.00 0.00 N ATOM 0 H LYS A 81 -6.187 4.982 2.033 1.00 0.00 H new ATOM 0 HA LYS A 81 -3.688 5.288 3.289 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -5.969 5.422 4.348 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -6.119 3.684 4.175 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -4.357 3.266 5.733 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -3.805 4.928 5.681 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -5.576 5.712 7.000 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -6.632 4.384 6.564 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -5.244 2.822 7.900 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -4.151 4.128 8.311 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -5.738 3.725 10.078 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -5.981 5.273 9.423 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -7.040 4.007 9.025 1.00 0.00 H new ATOM 1311 N ILE A 82 -2.475 3.132 3.282 1.00 0.00 N ATOM 1312 CA ILE A 82 -1.703 1.900 3.178 1.00 0.00 C ATOM 1313 C ILE A 82 -1.029 1.560 4.503 1.00 0.00 C ATOM 1314 O ILE A 82 -0.608 2.450 5.244 1.00 0.00 O ATOM 1315 CB ILE A 82 -0.630 1.999 2.079 1.00 0.00 C ATOM 1316 CG1 ILE A 82 -1.277 2.325 0.731 1.00 0.00 C ATOM 1317 CG2 ILE A 82 0.161 0.702 1.993 1.00 0.00 C ATOM 1318 CD1 ILE A 82 -2.009 1.154 0.113 1.00 0.00 C ATOM 0 H ILE A 82 -1.944 3.935 3.618 1.00 0.00 H new ATOM 0 HA ILE A 82 -2.406 1.109 2.917 1.00 0.00 H new ATOM 0 HB ILE A 82 0.058 2.805 2.335 1.00 0.00 H new ATOM 0 HG12 ILE A 82 -1.976 3.151 0.863 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -0.506 2.667 0.040 1.00 0.00 H new ATOM 0 HG21 ILE A 82 0.916 0.787 1.211 1.00 0.00 H new ATOM 0 HG22 ILE A 82 0.648 0.509 2.949 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -0.514 -0.121 1.757 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -2.442 1.458 -0.840 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -1.310 0.334 -0.051 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -2.803 0.826 0.784 1.00 0.00 H new ATOM 1330 N LEU A 83 -0.927 0.268 4.794 1.00 0.00 N ATOM 1331 CA LEU A 83 -0.301 -0.190 6.030 1.00 0.00 C ATOM 1332 C LEU A 83 0.874 -1.117 5.733 1.00 0.00 C ATOM 1333 O LEU A 83 0.687 -2.261 5.316 1.00 0.00 O ATOM 1334 CB LEU A 83 -1.326 -0.912 6.906 1.00 0.00 C ATOM 1335 CG LEU A 83 -2.373 -0.026 7.582 1.00 0.00 C ATOM 1336 CD1 LEU A 83 -1.723 0.865 8.629 1.00 0.00 C ATOM 1337 CD2 LEU A 83 -3.110 0.812 6.548 1.00 0.00 C ATOM 0 H LEU A 83 -1.269 -0.481 4.192 1.00 0.00 H new ATOM 0 HA LEU A 83 0.074 0.683 6.564 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -1.844 -1.649 6.292 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -0.790 -1.462 7.680 1.00 0.00 H new ATOM 0 HG LEU A 83 -3.097 -0.669 8.082 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -2.484 1.488 9.099 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -1.242 0.246 9.386 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -0.976 1.501 8.153 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -3.851 1.436 7.047 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -2.398 1.446 6.019 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -3.609 0.155 5.836 1.00 0.00 H new ATOM 1349 N LEU A 84 2.085 -0.617 5.953 1.00 0.00 N ATOM 1350 CA LEU A 84 3.291 -1.400 5.712 1.00 0.00 C ATOM 1351 C LEU A 84 3.490 -2.445 6.805 1.00 0.00 C ATOM 1352 O LEU A 84 3.427 -2.134 7.995 1.00 0.00 O ATOM 1353 CB LEU A 84 4.513 -0.483 5.640 1.00 0.00 C ATOM 1354 CG LEU A 84 4.473 0.605 4.566 1.00 0.00 C ATOM 1355 CD1 LEU A 84 5.605 1.600 4.772 1.00 0.00 C ATOM 1356 CD2 LEU A 84 4.550 -0.014 3.178 1.00 0.00 C ATOM 0 H LEU A 84 2.257 0.327 6.298 1.00 0.00 H new ATOM 0 HA LEU A 84 3.174 -1.915 4.759 1.00 0.00 H new ATOM 0 HB2 LEU A 84 4.640 -0.003 6.610 1.00 0.00 H new ATOM 0 HB3 LEU A 84 5.396 -1.100 5.471 1.00 0.00 H new ATOM 0 HG LEU A 84 3.527 1.140 4.652 1.00 0.00 H new ATOM 0 HD11 LEU A 84 5.561 2.367 3.999 1.00 0.00 H new ATOM 0 HD12 LEU A 84 5.505 2.067 5.752 1.00 0.00 H new ATOM 0 HD13 LEU A 84 6.561 1.080 4.713 1.00 0.00 H new ATOM 0 HD21 LEU A 84 4.520 0.774 2.426 1.00 0.00 H new ATOM 0 HD22 LEU A 84 5.480 -0.574 3.080 1.00 0.00 H new ATOM 0 HD23 LEU A 84 3.705 -0.687 3.032 1.00 0.00 H new ATOM 1368 N VAL A 85 3.732 -3.686 6.394 1.00 0.00 N ATOM 1369 CA VAL A 85 3.943 -4.777 7.339 1.00 0.00 C ATOM 1370 C VAL A 85 5.245 -5.514 7.045 1.00 0.00 C ATOM 1371 O VAL A 85 5.424 -6.068 5.960 1.00 0.00 O ATOM 1372 CB VAL A 85 2.777 -5.783 7.304 1.00 0.00 C ATOM 1373 CG1 VAL A 85 2.998 -6.891 8.322 1.00 0.00 C ATOM 1374 CG2 VAL A 85 1.455 -5.074 7.554 1.00 0.00 C ATOM 0 H VAL A 85 3.787 -3.961 5.413 1.00 0.00 H new ATOM 0 HA VAL A 85 3.998 -4.330 8.332 1.00 0.00 H new ATOM 0 HB VAL A 85 2.739 -6.235 6.313 1.00 0.00 H new ATOM 0 HG11 VAL A 85 2.164 -7.592 8.283 1.00 0.00 H new ATOM 0 HG12 VAL A 85 3.925 -7.416 8.093 1.00 0.00 H new ATOM 0 HG13 VAL A 85 3.063 -6.460 9.321 1.00 0.00 H new ATOM 0 HG21 VAL A 85 0.642 -5.800 7.526 1.00 0.00 H new ATOM 0 HG22 VAL A 85 1.479 -4.594 8.532 1.00 0.00 H new ATOM 0 HG23 VAL A 85 1.295 -4.320 6.783 1.00 0.00 H new ATOM 1384 N ILE A 86 6.150 -5.516 8.018 1.00 0.00 N ATOM 1385 CA ILE A 86 7.435 -6.186 7.864 1.00 0.00 C ATOM 1386 C ILE A 86 7.254 -7.610 7.350 1.00 0.00 C ATOM 1387 O ILE A 86 6.427 -8.365 7.860 1.00 0.00 O ATOM 1388 CB ILE A 86 8.211 -6.227 9.193 1.00 0.00 C ATOM 1389 CG1 ILE A 86 8.389 -4.812 9.749 1.00 0.00 C ATOM 1390 CG2 ILE A 86 9.562 -6.899 8.997 1.00 0.00 C ATOM 1391 CD1 ILE A 86 9.306 -3.946 8.914 1.00 0.00 C ATOM 0 H ILE A 86 6.017 -5.061 8.921 1.00 0.00 H new ATOM 0 HA ILE A 86 8.006 -5.609 7.137 1.00 0.00 H new ATOM 0 HB ILE A 86 7.638 -6.811 9.913 1.00 0.00 H new ATOM 0 HG12 ILE A 86 7.413 -4.332 9.818 1.00 0.00 H new ATOM 0 HG13 ILE A 86 8.786 -4.876 10.762 1.00 0.00 H new ATOM 0 HG21 ILE A 86 10.099 -6.920 9.945 1.00 0.00 H new ATOM 0 HG22 ILE A 86 9.413 -7.919 8.641 1.00 0.00 H new ATOM 0 HG23 ILE A 86 10.143 -6.340 8.264 1.00 0.00 H new ATOM 0 HD11 ILE A 86 9.386 -2.958 9.367 1.00 0.00 H new ATOM 0 HD12 ILE A 86 10.294 -4.404 8.865 1.00 0.00 H new ATOM 0 HD13 ILE A 86 8.900 -3.852 7.907 1.00 0.00 H new ATOM 1403 N ASN A 87 8.034 -7.971 6.336 1.00 0.00 N ATOM 1404 CA ASN A 87 7.961 -9.306 5.753 1.00 0.00 C ATOM 1405 C ASN A 87 9.119 -10.174 6.235 1.00 0.00 C ATOM 1406 O ASN A 87 8.911 -11.213 6.861 1.00 0.00 O ATOM 1407 CB ASN A 87 7.975 -9.220 4.226 1.00 0.00 C ATOM 1408 CG ASN A 87 7.972 -10.587 3.569 1.00 0.00 C ATOM 1409 OD1 ASN A 87 7.616 -11.586 4.193 1.00 0.00 O ATOM 1410 ND2 ASN A 87 8.369 -10.636 2.303 1.00 0.00 N ATOM 0 H ASN A 87 8.724 -7.358 5.901 1.00 0.00 H new ATOM 0 HA ASN A 87 7.027 -9.765 6.076 1.00 0.00 H new ATOM 0 HB2 ASN A 87 7.105 -8.656 3.889 1.00 0.00 H new ATOM 0 HB3 ASN A 87 8.858 -8.667 3.904 1.00 0.00 H new ATOM 0 HD21 ASN A 87 8.387 -11.528 1.808 1.00 0.00 H new ATOM 0 HD22 ASN A 87 8.656 -9.782 1.825 1.00 0.00 H new ATOM 1417 N GLY A 88 10.340 -9.740 5.940 1.00 0.00 N ATOM 1418 CA GLY A 88 11.513 -10.489 6.351 1.00 0.00 C ATOM 1419 C GLY A 88 12.609 -10.472 5.303 1.00 0.00 C ATOM 1420 O GLY A 88 12.834 -9.455 4.647 1.00 0.00 O ATOM 0 H GLY A 88 10.538 -8.883 5.424 1.00 0.00 H new ATOM 0 HA2 GLY A 88 11.898 -10.073 7.282 1.00 0.00 H new ATOM 0 HA3 GLY A 88 11.228 -11.521 6.557 1.00 0.00 H new ATOM 1424 N SER A 89 13.292 -11.601 5.145 1.00 0.00 N ATOM 1425 CA SER A 89 14.374 -11.711 4.173 1.00 0.00 C ATOM 1426 C SER A 89 13.821 -11.882 2.762 1.00 0.00 C ATOM 1427 O SER A 89 12.876 -12.641 2.540 1.00 0.00 O ATOM 1428 CB SER A 89 15.285 -12.889 4.523 1.00 0.00 C ATOM 1429 OG SER A 89 16.434 -12.908 3.695 1.00 0.00 O ATOM 0 H SER A 89 13.115 -12.453 5.678 1.00 0.00 H new ATOM 0 HA SER A 89 14.955 -10.790 4.207 1.00 0.00 H new ATOM 0 HB2 SER A 89 15.587 -12.821 5.568 1.00 0.00 H new ATOM 0 HB3 SER A 89 14.736 -13.824 4.410 1.00 0.00 H new ATOM 0 HG SER A 89 17.001 -13.669 3.940 1.00 0.00 H new ATOM 1435 N THR A 90 14.416 -11.171 1.809 1.00 0.00 N ATOM 1436 CA THR A 90 13.984 -11.242 0.419 1.00 0.00 C ATOM 1437 C THR A 90 15.161 -11.517 -0.509 1.00 0.00 C ATOM 1438 O THR A 90 16.238 -10.943 -0.346 1.00 0.00 O ATOM 1439 CB THR A 90 13.290 -9.940 -0.021 1.00 0.00 C ATOM 1440 OG1 THR A 90 12.709 -10.108 -1.318 1.00 0.00 O ATOM 1441 CG2 THR A 90 14.278 -8.783 -0.048 1.00 0.00 C ATOM 0 H THR A 90 15.199 -10.539 1.975 1.00 0.00 H new ATOM 0 HA THR A 90 13.272 -12.064 0.351 1.00 0.00 H new ATOM 0 HB THR A 90 12.506 -9.711 0.700 1.00 0.00 H new ATOM 0 HG1 THR A 90 12.268 -9.276 -1.589 1.00 0.00 H new ATOM 0 HG21 THR A 90 13.765 -7.874 -0.362 1.00 0.00 H new ATOM 0 HG22 THR A 90 14.696 -8.638 0.948 1.00 0.00 H new ATOM 0 HG23 THR A 90 15.081 -9.007 -0.750 1.00 0.00 H new ATOM 1449 N GLN A 91 14.948 -12.395 -1.484 1.00 0.00 N ATOM 1450 CA GLN A 91 15.994 -12.744 -2.438 1.00 0.00 C ATOM 1451 C GLN A 91 15.422 -12.883 -3.845 1.00 0.00 C ATOM 1452 O GLN A 91 14.347 -13.452 -4.036 1.00 0.00 O ATOM 1453 CB GLN A 91 16.678 -14.047 -2.023 1.00 0.00 C ATOM 1454 CG GLN A 91 18.103 -14.177 -2.538 1.00 0.00 C ATOM 1455 CD GLN A 91 18.757 -15.480 -2.122 1.00 0.00 C ATOM 1456 OE1 GLN A 91 18.210 -16.234 -1.318 1.00 0.00 O ATOM 1457 NE2 GLN A 91 19.937 -15.751 -2.669 1.00 0.00 N ATOM 0 H GLN A 91 14.062 -12.877 -1.634 1.00 0.00 H new ATOM 0 HA GLN A 91 16.730 -11.940 -2.442 1.00 0.00 H new ATOM 0 HB2 GLN A 91 16.686 -14.113 -0.935 1.00 0.00 H new ATOM 0 HB3 GLN A 91 16.090 -14.889 -2.389 1.00 0.00 H new ATOM 0 HG2 GLN A 91 18.100 -14.107 -3.626 1.00 0.00 H new ATOM 0 HG3 GLN A 91 18.697 -13.342 -2.167 1.00 0.00 H new ATOM 0 HE21 GLN A 91 20.354 -15.097 -3.332 1.00 0.00 H new ATOM 0 HE22 GLN A 91 20.426 -16.613 -2.426 1.00 0.00 H new ATOM 1466 N ALA A 92 16.147 -12.358 -4.828 1.00 0.00 N ATOM 1467 CA ALA A 92 15.712 -12.424 -6.218 1.00 0.00 C ATOM 1468 C ALA A 92 16.764 -13.099 -7.090 1.00 0.00 C ATOM 1469 O ALA A 92 17.889 -12.613 -7.214 1.00 0.00 O ATOM 1470 CB ALA A 92 15.405 -11.029 -6.742 1.00 0.00 C ATOM 0 H ALA A 92 17.038 -11.882 -4.687 1.00 0.00 H new ATOM 0 HA ALA A 92 14.803 -13.024 -6.261 1.00 0.00 H new ATOM 0 HB1 ALA A 92 15.081 -11.094 -7.781 1.00 0.00 H new ATOM 0 HB2 ALA A 92 14.613 -10.581 -6.142 1.00 0.00 H new ATOM 0 HB3 ALA A 92 16.301 -10.411 -6.679 1.00 0.00 H new ATOM 1476 N THR A 93 16.393 -14.224 -7.694 1.00 0.00 N ATOM 1477 CA THR A 93 17.306 -14.967 -8.554 1.00 0.00 C ATOM 1478 C THR A 93 16.896 -14.855 -10.017 1.00 0.00 C ATOM 1479 O THR A 93 15.721 -14.667 -10.330 1.00 0.00 O ATOM 1480 CB THR A 93 17.361 -16.456 -8.160 1.00 0.00 C ATOM 1481 OG1 THR A 93 18.354 -17.132 -8.940 1.00 0.00 O ATOM 1482 CG2 THR A 93 16.009 -17.121 -8.366 1.00 0.00 C ATOM 0 H THR A 93 15.466 -14.640 -7.603 1.00 0.00 H new ATOM 0 HA THR A 93 18.294 -14.527 -8.422 1.00 0.00 H new ATOM 0 HB THR A 93 17.622 -16.520 -7.104 1.00 0.00 H new ATOM 0 HG1 THR A 93 18.384 -18.077 -8.683 1.00 0.00 H new ATOM 0 HG21 THR A 93 16.073 -18.171 -8.081 1.00 0.00 H new ATOM 0 HG22 THR A 93 15.261 -16.623 -7.750 1.00 0.00 H new ATOM 0 HG23 THR A 93 15.723 -17.046 -9.415 1.00 0.00 H new ATOM 1490 N ASN A 94 17.873 -14.974 -10.911 1.00 0.00 N ATOM 1491 CA ASN A 94 17.613 -14.886 -12.344 1.00 0.00 C ATOM 1492 C ASN A 94 17.117 -16.221 -12.890 1.00 0.00 C ATOM 1493 O ASN A 94 17.564 -16.678 -13.943 1.00 0.00 O ATOM 1494 CB ASN A 94 18.879 -14.456 -13.087 1.00 0.00 C ATOM 1495 CG ASN A 94 18.623 -14.190 -14.559 1.00 0.00 C ATOM 1496 OD1 ASN A 94 19.009 -14.981 -15.420 1.00 0.00 O ATOM 1497 ND2 ASN A 94 17.970 -13.072 -14.853 1.00 0.00 N ATOM 0 H ASN A 94 18.851 -15.131 -10.669 1.00 0.00 H new ATOM 0 HA ASN A 94 16.836 -14.139 -12.502 1.00 0.00 H new ATOM 0 HB2 ASN A 94 19.282 -13.556 -12.622 1.00 0.00 H new ATOM 0 HB3 ASN A 94 19.637 -15.233 -12.987 1.00 0.00 H new ATOM 0 HD21 ASN A 94 17.769 -12.839 -15.826 1.00 0.00 H new ATOM 0 HD22 ASN A 94 17.669 -12.446 -14.106 1.00 0.00 H new ATOM 1504 N LEU A 95 16.191 -16.842 -12.168 1.00 0.00 N ATOM 1505 CA LEU A 95 15.633 -18.126 -12.579 1.00 0.00 C ATOM 1506 C LEU A 95 14.160 -18.227 -12.197 1.00 0.00 C ATOM 1507 O LEU A 95 13.791 -17.998 -11.046 1.00 0.00 O ATOM 1508 CB LEU A 95 16.418 -19.273 -11.941 1.00 0.00 C ATOM 1509 CG LEU A 95 16.289 -20.636 -12.623 1.00 0.00 C ATOM 1510 CD1 LEU A 95 16.900 -20.596 -14.015 1.00 0.00 C ATOM 1511 CD2 LEU A 95 16.947 -21.719 -11.780 1.00 0.00 C ATOM 0 H LEU A 95 15.810 -16.477 -11.295 1.00 0.00 H new ATOM 0 HA LEU A 95 15.713 -18.199 -13.664 1.00 0.00 H new ATOM 0 HB2 LEU A 95 17.472 -18.998 -11.921 1.00 0.00 H new ATOM 0 HB3 LEU A 95 16.095 -19.376 -10.905 1.00 0.00 H new ATOM 0 HG LEU A 95 15.230 -20.873 -12.720 1.00 0.00 H new ATOM 0 HD11 LEU A 95 16.799 -21.574 -14.485 1.00 0.00 H new ATOM 0 HD12 LEU A 95 16.384 -19.849 -14.618 1.00 0.00 H new ATOM 0 HD13 LEU A 95 17.956 -20.336 -13.942 1.00 0.00 H new ATOM 0 HD21 LEU A 95 16.845 -22.682 -12.281 1.00 0.00 H new ATOM 0 HD22 LEU A 95 18.004 -21.487 -11.650 1.00 0.00 H new ATOM 0 HD23 LEU A 95 16.463 -21.765 -10.804 1.00 0.00 H new ATOM 1523 N GLU A 96 13.324 -18.574 -13.171 1.00 0.00 N ATOM 1524 CA GLU A 96 11.891 -18.707 -12.935 1.00 0.00 C ATOM 1525 C GLU A 96 11.543 -20.122 -12.482 1.00 0.00 C ATOM 1526 O GLU A 96 12.132 -21.106 -12.929 1.00 0.00 O ATOM 1527 CB GLU A 96 11.109 -18.359 -14.203 1.00 0.00 C ATOM 1528 CG GLU A 96 11.510 -19.186 -15.413 1.00 0.00 C ATOM 1529 CD GLU A 96 12.720 -18.621 -16.131 1.00 0.00 C ATOM 1530 OE1 GLU A 96 12.546 -17.684 -16.938 1.00 0.00 O ATOM 1531 OE2 GLU A 96 13.840 -19.116 -15.887 1.00 0.00 O ATOM 0 H GLU A 96 13.614 -18.768 -14.130 1.00 0.00 H new ATOM 0 HA GLU A 96 11.613 -18.012 -12.143 1.00 0.00 H new ATOM 0 HB2 GLU A 96 10.045 -18.500 -14.014 1.00 0.00 H new ATOM 0 HB3 GLU A 96 11.255 -17.303 -14.431 1.00 0.00 H new ATOM 0 HG2 GLU A 96 11.724 -20.207 -15.096 1.00 0.00 H new ATOM 0 HG3 GLU A 96 10.671 -19.237 -16.107 1.00 0.00 H new ATOM 1538 N PRO A 97 10.563 -20.227 -11.572 1.00 0.00 N ATOM 1539 CA PRO A 97 10.114 -21.516 -11.038 1.00 0.00 C ATOM 1540 C PRO A 97 9.372 -22.348 -12.078 1.00 0.00 C ATOM 1541 O PRO A 97 8.216 -22.069 -12.399 1.00 0.00 O ATOM 1542 CB PRO A 97 9.172 -21.119 -9.898 1.00 0.00 C ATOM 1543 CG PRO A 97 8.683 -19.761 -10.267 1.00 0.00 C ATOM 1544 CD PRO A 97 9.818 -19.095 -10.995 1.00 0.00 C ATOM 0 HA PRO A 97 10.950 -22.139 -10.721 1.00 0.00 H new ATOM 0 HB2 PRO A 97 8.347 -21.825 -9.802 1.00 0.00 H new ATOM 0 HB3 PRO A 97 9.693 -21.106 -8.940 1.00 0.00 H new ATOM 0 HG2 PRO A 97 7.797 -19.824 -10.899 1.00 0.00 H new ATOM 0 HG3 PRO A 97 8.402 -19.193 -9.380 1.00 0.00 H new ATOM 0 HD2 PRO A 97 9.457 -18.416 -11.767 1.00 0.00 H new ATOM 0 HD3 PRO A 97 10.439 -18.507 -10.319 1.00 0.00 H new ATOM 1552 N SER A 98 10.042 -23.370 -12.600 1.00 0.00 N ATOM 1553 CA SER A 98 9.446 -24.240 -13.607 1.00 0.00 C ATOM 1554 C SER A 98 8.815 -25.468 -12.958 1.00 0.00 C ATOM 1555 O SER A 98 9.485 -26.230 -12.263 1.00 0.00 O ATOM 1556 CB SER A 98 10.501 -24.673 -14.627 1.00 0.00 C ATOM 1557 OG SER A 98 11.348 -25.674 -14.090 1.00 0.00 O ATOM 0 H SER A 98 10.998 -23.616 -12.342 1.00 0.00 H new ATOM 0 HA SER A 98 8.665 -23.679 -14.120 1.00 0.00 H new ATOM 0 HB2 SER A 98 10.011 -25.050 -15.524 1.00 0.00 H new ATOM 0 HB3 SER A 98 11.096 -23.811 -14.927 1.00 0.00 H new ATOM 0 HG SER A 98 10.892 -26.125 -13.349 1.00 0.00 H new ATOM 1563 N GLY A 99 7.519 -25.653 -13.192 1.00 0.00 N ATOM 1564 CA GLY A 99 6.818 -26.790 -12.624 1.00 0.00 C ATOM 1565 C GLY A 99 7.600 -28.081 -12.761 1.00 0.00 C ATOM 1566 O GLY A 99 8.013 -28.468 -13.854 1.00 0.00 O ATOM 0 H GLY A 99 6.943 -25.036 -13.764 1.00 0.00 H new ATOM 0 HA2 GLY A 99 6.618 -26.600 -11.569 1.00 0.00 H new ATOM 0 HA3 GLY A 99 5.852 -26.900 -13.116 1.00 0.00 H new ATOM 1570 N PRO A 100 7.814 -28.771 -11.630 1.00 0.00 N ATOM 1571 CA PRO A 100 8.554 -30.036 -11.603 1.00 0.00 C ATOM 1572 C PRO A 100 7.784 -31.172 -12.266 1.00 0.00 C ATOM 1573 O PRO A 100 6.603 -31.033 -12.583 1.00 0.00 O ATOM 1574 CB PRO A 100 8.731 -30.311 -10.108 1.00 0.00 C ATOM 1575 CG PRO A 100 7.602 -29.591 -9.454 1.00 0.00 C ATOM 1576 CD PRO A 100 7.349 -28.369 -10.292 1.00 0.00 C ATOM 0 HA PRO A 100 9.493 -29.971 -12.153 1.00 0.00 H new ATOM 0 HB2 PRO A 100 8.695 -31.379 -9.895 1.00 0.00 H new ATOM 0 HB3 PRO A 100 9.694 -29.946 -9.750 1.00 0.00 H new ATOM 0 HG2 PRO A 100 6.714 -30.221 -9.405 1.00 0.00 H new ATOM 0 HG3 PRO A 100 7.855 -29.316 -8.430 1.00 0.00 H new ATOM 0 HD2 PRO A 100 6.293 -28.097 -10.298 1.00 0.00 H new ATOM 0 HD3 PRO A 100 7.898 -27.505 -9.918 1.00 0.00 H new ATOM 1584 N SER A 101 8.460 -32.298 -12.473 1.00 0.00 N ATOM 1585 CA SER A 101 7.840 -33.458 -13.102 1.00 0.00 C ATOM 1586 C SER A 101 8.148 -34.730 -12.319 1.00 0.00 C ATOM 1587 O SER A 101 7.253 -35.521 -12.020 1.00 0.00 O ATOM 1588 CB SER A 101 8.327 -33.604 -14.545 1.00 0.00 C ATOM 1589 OG SER A 101 7.716 -34.714 -15.180 1.00 0.00 O ATOM 0 H SER A 101 9.438 -32.431 -12.214 1.00 0.00 H new ATOM 0 HA SER A 101 6.761 -33.305 -13.104 1.00 0.00 H new ATOM 0 HB2 SER A 101 8.103 -32.694 -15.102 1.00 0.00 H new ATOM 0 HB3 SER A 101 9.410 -33.726 -14.556 1.00 0.00 H new ATOM 0 HG SER A 101 8.043 -34.785 -16.101 1.00 0.00 H new ATOM 1595 N SER A 102 9.422 -34.921 -11.989 1.00 0.00 N ATOM 1596 CA SER A 102 9.851 -36.099 -11.244 1.00 0.00 C ATOM 1597 C SER A 102 9.685 -35.882 -9.743 1.00 0.00 C ATOM 1598 O SER A 102 10.214 -34.924 -9.180 1.00 0.00 O ATOM 1599 CB SER A 102 11.310 -36.428 -11.565 1.00 0.00 C ATOM 1600 OG SER A 102 11.405 -37.265 -12.704 1.00 0.00 O ATOM 0 H SER A 102 10.175 -34.275 -12.226 1.00 0.00 H new ATOM 0 HA SER A 102 9.223 -36.937 -11.544 1.00 0.00 H new ATOM 0 HB2 SER A 102 11.864 -35.506 -11.740 1.00 0.00 H new ATOM 0 HB3 SER A 102 11.772 -36.920 -10.709 1.00 0.00 H new ATOM 0 HG SER A 102 12.347 -37.459 -12.889 1.00 0.00 H new ATOM 1606 N GLY A 103 8.944 -36.780 -9.100 1.00 0.00 N ATOM 1607 CA GLY A 103 8.720 -36.670 -7.670 1.00 0.00 C ATOM 1608 C GLY A 103 9.206 -37.889 -6.912 1.00 0.00 C ATOM 1609 O GLY A 103 10.369 -37.959 -6.514 1.00 0.00 O ATOM 0 H GLY A 103 8.495 -37.581 -9.544 1.00 0.00 H new ATOM 0 HA2 GLY A 103 9.230 -35.784 -7.292 1.00 0.00 H new ATOM 0 HA3 GLY A 103 7.656 -36.529 -7.482 1.00 0.00 H new TER 1613 GLY A 103