USER MOD reduce.3.24.130724 H: found=0, std=0, add=963, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 963 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 82 ASN : amide:sc= 1.16 K(o=1.9,f=-3.4!) USER MOD Set 1.2: A 92 GLN : amide:sc= 0.742 K(o=1.9,f=1.1) USER MOD Set 2.1: A 23 TYR OH : rot 30:sc= 0.927 USER MOD Set 2.2: A 47 LYS NZ :NH3+ 162:sc= 0.999 (180deg=0.199) USER MOD Set 3.1: A 11 LYS NZ :NH3+ 160:sc= 0.492 (180deg=0.415) USER MOD Set 3.2: A 16 ASN :FLIP amide:sc= -0.797 F(o=-1.4!,f=-0.3) USER MOD Single : A 1 MET CE :methyl 163:sc= -0.0673 (180deg=-0.405) USER MOD Single : A 1 MET N :NH3+ -171:sc= 0.553 (180deg=0.367) USER MOD Single : A 4 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.0103) USER MOD Single : A 14 CYS SG : rot 108:sc= -1.69! USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 LYS NZ :NH3+ 165:sc= 0.469 (180deg=0.361) USER MOD Single : A 39 LYS NZ :NH3+ -175:sc=-0.00215 (180deg=-0.0423) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ 177:sc= 0.422 (180deg=0.394) USER MOD Single : A 51 GLN : amide:sc= -0.44 X(o=-0.44,f=-0.081) USER MOD Single : A 53 CYS SG : rot 180:sc= -4.16! USER MOD Single : A 54 LYS NZ :NH3+ -139:sc= 0.506 (180deg=-0.295) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 LYS NZ :NH3+ -120:sc= 0.464 (180deg=-1.45!) USER MOD Single : A 63 LYS NZ :NH3+ 169:sc= -0.0173 (180deg=-0.158) USER MOD Single : A 71 LYS NZ :NH3+ -172:sc=-0.00669 (180deg=-0.0705) USER MOD Single : A 72 LYS NZ :NH3+ 175:sc= 0.474 (180deg=0.394) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 LYS NZ :NH3+ 171:sc= 0.825 (180deg=0.703) USER MOD Single : A 86 ASN : amide:sc= 0 K(o=0,f=-0.57) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 94 THR OG1 : rot 180:sc= 0 USER MOD Single : A 95 THR OG1 : rot 24:sc= 0.0518 USER MOD Single : A 96 THR OG1 : rot 180:sc= 0 USER MOD Single : A 97 THR OG1 : rot 180:sc= 0 USER MOD Single : A 101 THR OG1 : rot 18:sc= 0.168 USER MOD Single : A 112 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 113 HIS : no HE2:sc= -0.0446 K(o=-0.045,f=-1.6) USER MOD Single : A 114 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 115 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 116 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 117 HIS : no HD1:sc= 0 X(o=0,f=-0.18) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 11.023 -15.612 -8.240 1.00 21.31 N ATOM 2 CA MET A 1 10.670 -16.565 -9.314 1.00 15.14 C ATOM 3 C MET A 1 10.435 -17.959 -8.695 1.00 71.23 C ATOM 4 O MET A 1 11.378 -18.749 -8.539 1.00 24.43 O ATOM 5 CB MET A 1 11.777 -16.568 -10.409 1.00 52.50 C ATOM 6 CG MET A 1 11.982 -15.208 -11.104 1.00 73.42 C ATOM 7 SD MET A 1 13.211 -15.260 -12.428 1.00 65.54 S ATOM 8 CE MET A 1 12.440 -16.369 -13.611 1.00 65.45 C ATOM 0 H1 MET A 1 11.033 -14.645 -8.623 1.00 21.31 H new ATOM 0 H2 MET A 1 10.320 -15.674 -7.476 1.00 21.31 H new ATOM 0 H3 MET A 1 11.964 -15.845 -7.864 1.00 21.31 H new ATOM 0 HA MET A 1 9.745 -16.263 -9.806 1.00 15.14 H new ATOM 0 HB2 MET A 1 12.719 -16.878 -9.956 1.00 52.50 H new ATOM 0 HB3 MET A 1 11.525 -17.314 -11.163 1.00 52.50 H new ATOM 0 HG2 MET A 1 11.030 -14.870 -11.514 1.00 73.42 H new ATOM 0 HG3 MET A 1 12.289 -14.471 -10.362 1.00 73.42 H new ATOM 0 HE1 MET A 1 12.924 -16.259 -14.582 1.00 65.45 H new ATOM 0 HE2 MET A 1 12.546 -17.398 -13.267 1.00 65.45 H new ATOM 0 HE3 MET A 1 11.382 -16.124 -13.703 1.00 65.45 H new ATOM 20 N ALA A 2 9.170 -18.231 -8.292 1.00 64.01 N ATOM 21 CA ALA A 2 8.778 -19.484 -7.598 1.00 31.04 C ATOM 22 C ALA A 2 7.514 -20.107 -8.223 1.00 73.33 C ATOM 23 O ALA A 2 7.335 -21.333 -8.179 1.00 32.53 O ATOM 24 CB ALA A 2 8.565 -19.199 -6.097 1.00 41.34 C ATOM 0 H ALA A 2 8.392 -17.588 -8.439 1.00 64.01 H new ATOM 0 HA ALA A 2 9.584 -20.209 -7.714 1.00 31.04 H new ATOM 0 HB1 ALA A 2 8.277 -20.120 -5.589 1.00 41.34 H new ATOM 0 HB2 ALA A 2 9.490 -18.819 -5.664 1.00 41.34 H new ATOM 0 HB3 ALA A 2 7.776 -18.456 -5.976 1.00 41.34 H new ATOM 30 N GLY A 3 6.630 -19.255 -8.793 1.00 34.20 N ATOM 31 CA GLY A 3 5.370 -19.707 -9.392 1.00 73.21 C ATOM 32 C GLY A 3 4.202 -19.485 -8.452 1.00 10.52 C ATOM 33 O GLY A 3 3.349 -18.615 -8.679 1.00 24.14 O ATOM 0 H GLY A 3 6.775 -18.247 -8.846 1.00 34.20 H new ATOM 0 HA2 GLY A 3 5.196 -19.171 -10.325 1.00 73.21 H new ATOM 0 HA3 GLY A 3 5.443 -20.766 -9.641 1.00 73.21 H new ATOM 37 N LYS A 4 4.167 -20.301 -7.397 1.00 2.15 N ATOM 38 CA LYS A 4 3.306 -20.089 -6.223 1.00 3.04 C ATOM 39 C LYS A 4 3.896 -18.923 -5.390 1.00 44.03 C ATOM 40 O LYS A 4 4.535 -19.112 -4.344 1.00 21.11 O ATOM 41 CB LYS A 4 3.103 -21.416 -5.393 1.00 20.35 C ATOM 42 CG LYS A 4 4.373 -22.104 -4.808 1.00 32.24 C ATOM 43 CD LYS A 4 5.248 -22.821 -5.861 1.00 20.13 C ATOM 44 CE LYS A 4 6.554 -23.367 -5.267 1.00 34.50 C ATOM 45 NZ LYS A 4 6.312 -24.388 -4.209 1.00 3.20 N ATOM 0 H LYS A 4 4.742 -21.140 -7.329 1.00 2.15 H new ATOM 0 HA LYS A 4 2.302 -19.810 -6.541 1.00 3.04 H new ATOM 0 HB2 LYS A 4 2.430 -21.194 -4.565 1.00 20.35 H new ATOM 0 HB3 LYS A 4 2.595 -22.138 -6.033 1.00 20.35 H new ATOM 0 HG2 LYS A 4 4.978 -21.353 -4.300 1.00 32.24 H new ATOM 0 HG3 LYS A 4 4.065 -22.828 -4.054 1.00 32.24 H new ATOM 0 HD2 LYS A 4 4.682 -23.642 -6.301 1.00 20.13 H new ATOM 0 HD3 LYS A 4 5.482 -22.127 -6.668 1.00 20.13 H new ATOM 0 HE2 LYS A 4 7.156 -23.807 -6.062 1.00 34.50 H new ATOM 0 HE3 LYS A 4 7.132 -22.543 -4.848 1.00 34.50 H new ATOM 0 HZ1 LYS A 4 7.222 -24.764 -3.874 1.00 3.20 H new ATOM 0 HZ2 LYS A 4 5.805 -23.950 -3.414 1.00 3.20 H new ATOM 0 HZ3 LYS A 4 5.740 -25.164 -4.600 1.00 3.20 H new ATOM 59 N GLU A 5 3.699 -17.707 -5.911 1.00 12.32 N ATOM 60 CA GLU A 5 4.438 -16.520 -5.492 1.00 14.30 C ATOM 61 C GLU A 5 3.564 -15.267 -5.623 1.00 30.04 C ATOM 62 O GLU A 5 3.003 -14.995 -6.692 1.00 3.31 O ATOM 63 CB GLU A 5 5.714 -16.413 -6.352 1.00 54.31 C ATOM 64 CG GLU A 5 6.577 -15.178 -6.078 1.00 62.53 C ATOM 65 CD GLU A 5 7.880 -15.155 -6.887 1.00 44.21 C ATOM 66 OE1 GLU A 5 7.841 -15.481 -8.097 1.00 23.51 O ATOM 67 OE2 GLU A 5 8.948 -14.839 -6.319 1.00 1.03 O ATOM 0 H GLU A 5 3.014 -17.522 -6.643 1.00 12.32 H new ATOM 0 HA GLU A 5 4.719 -16.603 -4.442 1.00 14.30 H new ATOM 0 HB2 GLU A 5 6.320 -17.304 -6.189 1.00 54.31 H new ATOM 0 HB3 GLU A 5 5.426 -16.411 -7.403 1.00 54.31 H new ATOM 0 HG2 GLU A 5 6.000 -14.282 -6.307 1.00 62.53 H new ATOM 0 HG3 GLU A 5 6.817 -15.140 -5.015 1.00 62.53 H new ATOM 74 N LEU A 6 3.446 -14.523 -4.515 1.00 44.42 N ATOM 75 CA LEU A 6 2.665 -13.288 -4.459 1.00 42.53 C ATOM 76 C LEU A 6 3.568 -12.122 -4.899 1.00 52.41 C ATOM 77 O LEU A 6 4.382 -11.624 -4.115 1.00 62.41 O ATOM 78 CB LEU A 6 2.083 -13.071 -3.028 1.00 72.41 C ATOM 79 CG LEU A 6 1.031 -14.131 -2.527 1.00 53.14 C ATOM 80 CD1 LEU A 6 1.660 -15.509 -2.212 1.00 41.44 C ATOM 81 CD2 LEU A 6 0.247 -13.596 -1.315 1.00 13.23 C ATOM 0 H LEU A 6 3.893 -14.765 -3.631 1.00 44.42 H new ATOM 0 HA LEU A 6 1.812 -13.347 -5.135 1.00 42.53 H new ATOM 0 HB2 LEU A 6 2.913 -13.054 -2.322 1.00 72.41 H new ATOM 0 HB3 LEU A 6 1.617 -12.086 -2.995 1.00 72.41 H new ATOM 0 HG LEU A 6 0.338 -14.290 -3.353 1.00 53.14 H new ATOM 0 HD11 LEU A 6 0.884 -16.194 -1.872 1.00 41.44 H new ATOM 0 HD12 LEU A 6 2.129 -15.909 -3.111 1.00 41.44 H new ATOM 0 HD13 LEU A 6 2.412 -15.396 -1.431 1.00 41.44 H new ATOM 0 HD21 LEU A 6 -0.473 -14.346 -0.988 1.00 13.23 H new ATOM 0 HD22 LEU A 6 0.939 -13.378 -0.502 1.00 13.23 H new ATOM 0 HD23 LEU A 6 -0.281 -12.685 -1.597 1.00 13.23 H new ATOM 93 N ARG A 7 3.431 -11.727 -6.176 1.00 45.31 N ATOM 94 CA ARG A 7 4.249 -10.666 -6.786 1.00 21.23 C ATOM 95 C ARG A 7 3.540 -9.315 -6.651 1.00 4.14 C ATOM 96 O ARG A 7 2.364 -9.178 -7.004 1.00 11.41 O ATOM 97 CB ARG A 7 4.540 -10.990 -8.274 1.00 22.21 C ATOM 98 CG ARG A 7 5.410 -12.248 -8.479 1.00 4.11 C ATOM 99 CD ARG A 7 5.724 -12.526 -9.960 1.00 61.52 C ATOM 100 NE ARG A 7 6.629 -13.666 -10.115 1.00 24.54 N ATOM 101 CZ ARG A 7 6.918 -14.290 -11.268 1.00 70.40 C ATOM 102 NH1 ARG A 7 6.373 -13.911 -12.426 1.00 72.00 N ATOM 103 NH2 ARG A 7 7.769 -15.304 -11.240 1.00 3.31 N ATOM 0 H ARG A 7 2.749 -12.135 -6.815 1.00 45.31 H new ATOM 0 HA ARG A 7 5.203 -10.611 -6.261 1.00 21.23 H new ATOM 0 HB2 ARG A 7 3.594 -11.124 -8.799 1.00 22.21 H new ATOM 0 HB3 ARG A 7 5.039 -10.136 -8.731 1.00 22.21 H new ATOM 0 HG2 ARG A 7 6.345 -12.130 -7.931 1.00 4.11 H new ATOM 0 HG3 ARG A 7 4.898 -13.111 -8.054 1.00 4.11 H new ATOM 0 HD2 ARG A 7 4.797 -12.721 -10.499 1.00 61.52 H new ATOM 0 HD3 ARG A 7 6.173 -11.640 -10.410 1.00 61.52 H new ATOM 0 HE ARG A 7 7.081 -14.018 -9.271 1.00 24.54 H new ATOM 0 HH11 ARG A 7 5.719 -13.129 -12.450 1.00 72.00 H new ATOM 0 HH12 ARG A 7 6.611 -14.403 -13.287 1.00 72.00 H new ATOM 0 HH21 ARG A 7 8.188 -15.594 -10.356 1.00 3.31 H new ATOM 0 HH22 ARG A 7 8.006 -15.795 -12.102 1.00 3.31 H new ATOM 117 N VAL A 8 4.275 -8.319 -6.134 1.00 74.55 N ATOM 118 CA VAL A 8 3.769 -6.956 -5.906 1.00 72.45 C ATOM 119 C VAL A 8 4.575 -5.944 -6.735 1.00 3.32 C ATOM 120 O VAL A 8 5.794 -6.089 -6.903 1.00 73.54 O ATOM 121 CB VAL A 8 3.849 -6.550 -4.387 1.00 71.43 C ATOM 122 CG1 VAL A 8 2.943 -7.438 -3.521 1.00 54.53 C ATOM 123 CG2 VAL A 8 5.302 -6.597 -3.874 1.00 62.12 C ATOM 0 H VAL A 8 5.250 -8.438 -5.859 1.00 74.55 H new ATOM 0 HA VAL A 8 2.723 -6.945 -6.214 1.00 72.45 H new ATOM 0 HB VAL A 8 3.491 -5.524 -4.306 1.00 71.43 H new ATOM 0 HG11 VAL A 8 3.022 -7.131 -2.478 1.00 54.53 H new ATOM 0 HG12 VAL A 8 1.910 -7.336 -3.852 1.00 54.53 H new ATOM 0 HG13 VAL A 8 3.254 -8.478 -3.617 1.00 54.53 H new ATOM 0 HG21 VAL A 8 5.326 -6.312 -2.822 1.00 62.12 H new ATOM 0 HG22 VAL A 8 5.694 -7.608 -3.985 1.00 62.12 H new ATOM 0 HG23 VAL A 8 5.914 -5.905 -4.452 1.00 62.12 H new ATOM 133 N GLU A 9 3.877 -4.971 -7.313 1.00 44.21 N ATOM 134 CA GLU A 9 4.479 -3.741 -7.820 1.00 64.01 C ATOM 135 C GLU A 9 3.878 -2.597 -7.009 1.00 23.34 C ATOM 136 O GLU A 9 2.769 -2.142 -7.296 1.00 10.04 O ATOM 137 CB GLU A 9 4.219 -3.574 -9.348 1.00 33.11 C ATOM 138 CG GLU A 9 4.667 -2.208 -9.929 1.00 34.40 C ATOM 139 CD GLU A 9 4.691 -2.155 -11.465 1.00 60.00 C ATOM 140 OE1 GLU A 9 3.625 -1.976 -12.086 1.00 52.11 O ATOM 141 OE2 GLU A 9 5.786 -2.284 -12.055 1.00 53.33 O ATOM 0 H GLU A 9 2.866 -5.014 -7.444 1.00 44.21 H new ATOM 0 HA GLU A 9 5.563 -3.757 -7.707 1.00 64.01 H new ATOM 0 HB2 GLU A 9 4.739 -4.370 -9.882 1.00 33.11 H new ATOM 0 HB3 GLU A 9 3.154 -3.705 -9.539 1.00 33.11 H new ATOM 0 HG2 GLU A 9 3.997 -1.431 -9.560 1.00 34.40 H new ATOM 0 HG3 GLU A 9 5.663 -1.975 -9.553 1.00 34.40 H new ATOM 148 N ILE A 10 4.580 -2.160 -5.951 1.00 11.52 N ATOM 149 CA ILE A 10 4.105 -1.035 -5.148 1.00 12.24 C ATOM 150 C ILE A 10 4.750 0.216 -5.755 1.00 31.40 C ATOM 151 O ILE A 10 5.935 0.470 -5.544 1.00 21.51 O ATOM 152 CB ILE A 10 4.531 -1.193 -3.631 1.00 70.22 C ATOM 153 CG1 ILE A 10 4.137 -2.600 -3.067 1.00 71.24 C ATOM 154 CG2 ILE A 10 3.948 -0.059 -2.751 1.00 51.11 C ATOM 155 CD1 ILE A 10 2.650 -2.929 -3.095 1.00 74.22 C ATOM 0 H ILE A 10 5.463 -2.564 -5.640 1.00 11.52 H new ATOM 0 HA ILE A 10 3.017 -0.978 -5.161 1.00 12.24 H new ATOM 0 HB ILE A 10 5.617 -1.112 -3.595 1.00 70.22 H new ATOM 0 HG12 ILE A 10 4.670 -3.362 -3.636 1.00 71.24 H new ATOM 0 HG13 ILE A 10 4.487 -2.669 -2.037 1.00 71.24 H new ATOM 0 HG21 ILE A 10 4.262 -0.202 -1.717 1.00 51.11 H new ATOM 0 HG22 ILE A 10 4.311 0.904 -3.111 1.00 51.11 H new ATOM 0 HG23 ILE A 10 2.860 -0.079 -2.805 1.00 51.11 H new ATOM 0 HD11 ILE A 10 2.490 -3.925 -2.682 1.00 74.22 H new ATOM 0 HD12 ILE A 10 2.104 -2.197 -2.499 1.00 74.22 H new ATOM 0 HD13 ILE A 10 2.290 -2.900 -4.124 1.00 74.22 H new ATOM 167 N LYS A 11 3.959 1.003 -6.486 1.00 71.14 N ATOM 168 CA LYS A 11 4.469 2.144 -7.258 1.00 21.22 C ATOM 169 C LYS A 11 4.271 3.407 -6.425 1.00 0.11 C ATOM 170 O LYS A 11 3.135 3.772 -6.088 1.00 0.34 O ATOM 171 CB LYS A 11 3.758 2.249 -8.653 1.00 52.45 C ATOM 172 CG LYS A 11 4.570 2.986 -9.765 1.00 60.00 C ATOM 173 CD LYS A 11 4.805 4.501 -9.504 1.00 22.11 C ATOM 174 CE LYS A 11 5.800 5.142 -10.487 1.00 75.40 C ATOM 175 NZ LYS A 11 6.064 6.580 -10.168 1.00 42.03 N ATOM 0 H LYS A 11 2.950 0.871 -6.561 1.00 71.14 H new ATOM 0 HA LYS A 11 5.530 2.009 -7.466 1.00 21.22 H new ATOM 0 HB2 LYS A 11 3.528 1.242 -9.001 1.00 52.45 H new ATOM 0 HB3 LYS A 11 2.807 2.765 -8.519 1.00 52.45 H new ATOM 0 HG2 LYS A 11 5.538 2.496 -9.874 1.00 60.00 H new ATOM 0 HG3 LYS A 11 4.046 2.872 -10.714 1.00 60.00 H new ATOM 0 HD2 LYS A 11 3.852 5.026 -9.569 1.00 22.11 H new ATOM 0 HD3 LYS A 11 5.173 4.634 -8.487 1.00 22.11 H new ATOM 0 HE2 LYS A 11 6.739 4.588 -10.464 1.00 75.40 H new ATOM 0 HE3 LYS A 11 5.408 5.063 -11.501 1.00 75.40 H new ATOM 0 HZ1 LYS A 11 6.957 6.876 -10.612 1.00 42.03 H new ATOM 0 HZ2 LYS A 11 5.286 7.165 -10.533 1.00 42.03 H new ATOM 0 HZ3 LYS A 11 6.133 6.700 -9.137 1.00 42.03 H new ATOM 189 N ILE A 12 5.387 4.057 -6.092 1.00 14.43 N ATOM 190 CA ILE A 12 5.386 5.293 -5.324 1.00 72.44 C ATOM 191 C ILE A 12 5.458 6.496 -6.282 1.00 51.25 C ATOM 192 O ILE A 12 6.307 6.535 -7.186 1.00 13.13 O ATOM 193 CB ILE A 12 6.601 5.342 -4.341 1.00 42.03 C ATOM 194 CG1 ILE A 12 6.682 4.059 -3.447 1.00 74.33 C ATOM 195 CG2 ILE A 12 6.554 6.619 -3.482 1.00 31.14 C ATOM 196 CD1 ILE A 12 5.509 3.836 -2.502 1.00 72.42 C ATOM 0 H ILE A 12 6.320 3.735 -6.351 1.00 14.43 H new ATOM 0 HA ILE A 12 4.465 5.334 -4.742 1.00 72.44 H new ATOM 0 HB ILE A 12 7.510 5.368 -4.942 1.00 42.03 H new ATOM 0 HG12 ILE A 12 6.770 3.190 -4.099 1.00 74.33 H new ATOM 0 HG13 ILE A 12 7.596 4.108 -2.856 1.00 74.33 H new ATOM 0 HG21 ILE A 12 7.408 6.634 -2.805 1.00 31.14 H new ATOM 0 HG22 ILE A 12 6.590 7.495 -4.130 1.00 31.14 H new ATOM 0 HG23 ILE A 12 5.631 6.634 -2.902 1.00 31.14 H new ATOM 0 HD11 ILE A 12 5.670 2.921 -1.932 1.00 72.42 H new ATOM 0 HD12 ILE A 12 5.428 4.680 -1.817 1.00 72.42 H new ATOM 0 HD13 ILE A 12 4.589 3.748 -3.079 1.00 72.42 H new ATOM 208 N ASP A 13 4.550 7.447 -6.080 1.00 3.40 N ATOM 209 CA ASP A 13 4.553 8.746 -6.765 1.00 35.24 C ATOM 210 C ASP A 13 5.324 9.760 -5.902 1.00 32.22 C ATOM 211 O ASP A 13 5.216 9.719 -4.674 1.00 41.42 O ATOM 212 CB ASP A 13 3.090 9.187 -6.979 1.00 63.31 C ATOM 213 CG ASP A 13 2.900 10.618 -7.524 1.00 65.53 C ATOM 214 OD1 ASP A 13 2.995 10.808 -8.754 1.00 23.14 O ATOM 215 OD2 ASP A 13 2.622 11.550 -6.733 1.00 41.45 O ATOM 0 H ASP A 13 3.776 7.339 -5.425 1.00 3.40 H new ATOM 0 HA ASP A 13 5.044 8.680 -7.736 1.00 35.24 H new ATOM 0 HB2 ASP A 13 2.616 8.489 -7.668 1.00 63.31 H new ATOM 0 HB3 ASP A 13 2.562 9.106 -6.029 1.00 63.31 H new ATOM 220 N CYS A 14 6.119 10.629 -6.550 1.00 13.05 N ATOM 221 CA CYS A 14 6.897 11.692 -5.878 1.00 72.01 C ATOM 222 C CYS A 14 7.497 12.611 -6.953 1.00 54.33 C ATOM 223 O CYS A 14 7.298 13.839 -6.935 1.00 32.41 O ATOM 224 CB CYS A 14 8.017 11.104 -4.977 1.00 62.34 C ATOM 225 SG CYS A 14 8.937 12.341 -4.027 1.00 12.34 S ATOM 0 H CYS A 14 6.243 10.616 -7.562 1.00 13.05 H new ATOM 0 HA CYS A 14 6.232 12.259 -5.226 1.00 72.01 H new ATOM 0 HB2 CYS A 14 7.572 10.389 -4.285 1.00 62.34 H new ATOM 0 HB3 CYS A 14 8.717 10.550 -5.603 1.00 62.34 H new ATOM 0 HG CYS A 14 8.605 12.260 -2.773 1.00 12.34 H new ATOM 231 N GLY A 15 8.226 11.990 -7.908 1.00 32.34 N ATOM 232 CA GLY A 15 8.860 12.705 -9.012 1.00 65.43 C ATOM 233 C GLY A 15 9.810 11.795 -9.767 1.00 70.44 C ATOM 234 O GLY A 15 11.013 12.072 -9.858 1.00 21.12 O ATOM 0 H GLY A 15 8.384 10.982 -7.925 1.00 32.34 H new ATOM 0 HA2 GLY A 15 8.097 13.085 -9.691 1.00 65.43 H new ATOM 0 HA3 GLY A 15 9.404 13.568 -8.628 1.00 65.43 H new ATOM 238 N ASN A 16 9.259 10.691 -10.314 1.00 75.12 N ATOM 239 CA ASN A 16 10.053 9.600 -10.917 1.00 73.45 C ATOM 240 C ASN A 16 10.284 9.842 -12.417 1.00 20.52 C ATOM 241 O ASN A 16 9.705 9.165 -13.283 1.00 32.21 O ATOM 242 CB ASN A 16 9.375 8.230 -10.659 1.00 4.21 C ATOM 243 CG ASN A 16 9.156 7.955 -9.172 1.00 12.53 C ATOM 244 OD1 ASN A 16 10.155 7.394 -8.513 1.00 61.41 O flip ATOM 245 ND2 ASN A 16 8.100 8.268 -8.615 1.00 72.30 N flip ATOM 0 H ASN A 16 8.252 10.531 -10.350 1.00 75.12 H new ATOM 0 HA ASN A 16 11.033 9.586 -10.440 1.00 73.45 H new ATOM 0 HB2 ASN A 16 8.416 8.200 -11.176 1.00 4.21 H new ATOM 0 HB3 ASN A 16 9.991 7.438 -11.085 1.00 4.21 H new ATOM 0 HD21 ASN A 16 7.348 8.700 -9.153 1.00 72.30 H new ATOM 0 HD22 ASN A 16 7.979 8.095 -7.617 1.00 72.30 H new ATOM 252 N ASP A 17 11.085 10.876 -12.705 1.00 34.42 N ATOM 253 CA ASP A 17 11.638 11.129 -14.052 1.00 12.54 C ATOM 254 C ASP A 17 12.778 10.130 -14.306 1.00 0.11 C ATOM 255 O ASP A 17 12.948 9.602 -15.413 1.00 11.03 O ATOM 256 CB ASP A 17 12.160 12.587 -14.172 1.00 54.34 C ATOM 257 CG ASP A 17 11.054 13.642 -13.992 1.00 64.51 C ATOM 258 OD1 ASP A 17 10.595 13.848 -12.843 1.00 11.14 O ATOM 259 OD2 ASP A 17 10.653 14.277 -14.992 1.00 14.41 O ATOM 0 H ASP A 17 11.372 11.566 -12.011 1.00 34.42 H new ATOM 0 HA ASP A 17 10.854 10.998 -14.798 1.00 12.54 H new ATOM 0 HB2 ASP A 17 12.936 12.751 -13.424 1.00 54.34 H new ATOM 0 HB3 ASP A 17 12.626 12.721 -15.149 1.00 54.34 H new ATOM 264 N ASP A 18 13.551 9.890 -13.236 1.00 31.53 N ATOM 265 CA ASP A 18 14.595 8.857 -13.167 1.00 72.30 C ATOM 266 C ASP A 18 14.333 7.969 -11.939 1.00 12.21 C ATOM 267 O ASP A 18 13.715 8.426 -10.960 1.00 72.55 O ATOM 268 CB ASP A 18 16.008 9.495 -13.080 1.00 14.14 C ATOM 269 CG ASP A 18 16.411 10.271 -14.350 1.00 72.03 C ATOM 270 OD1 ASP A 18 16.977 9.660 -15.281 1.00 23.04 O ATOM 271 OD2 ASP A 18 16.165 11.494 -14.420 1.00 31.41 O ATOM 0 H ASP A 18 13.465 10.424 -12.371 1.00 31.53 H new ATOM 0 HA ASP A 18 14.562 8.254 -14.075 1.00 72.30 H new ATOM 0 HB2 ASP A 18 16.041 10.170 -12.225 1.00 14.14 H new ATOM 0 HB3 ASP A 18 16.742 8.710 -12.895 1.00 14.14 H new ATOM 276 N LYS A 19 14.797 6.701 -12.019 1.00 25.30 N ATOM 277 CA LYS A 19 14.716 5.698 -10.934 1.00 63.14 C ATOM 278 C LYS A 19 13.253 5.272 -10.653 1.00 21.44 C ATOM 279 O LYS A 19 12.479 6.017 -10.033 1.00 35.14 O ATOM 280 CB LYS A 19 15.410 6.189 -9.622 1.00 3.12 C ATOM 281 CG LYS A 19 16.907 6.547 -9.775 1.00 53.12 C ATOM 282 CD LYS A 19 17.506 7.123 -8.467 1.00 14.55 C ATOM 283 CE LYS A 19 18.982 7.515 -8.611 1.00 71.11 C ATOM 284 NZ LYS A 19 19.532 8.100 -7.351 1.00 21.40 N ATOM 0 H LYS A 19 15.248 6.339 -12.859 1.00 25.30 H new ATOM 0 HA LYS A 19 15.261 4.822 -11.285 1.00 63.14 H new ATOM 0 HB2 LYS A 19 14.877 7.065 -9.252 1.00 3.12 H new ATOM 0 HB3 LYS A 19 15.312 5.412 -8.863 1.00 3.12 H new ATOM 0 HG2 LYS A 19 17.464 5.657 -10.067 1.00 53.12 H new ATOM 0 HG3 LYS A 19 17.025 7.274 -10.578 1.00 53.12 H new ATOM 0 HD2 LYS A 19 16.931 7.998 -8.164 1.00 14.55 H new ATOM 0 HD3 LYS A 19 17.407 6.385 -7.671 1.00 14.55 H new ATOM 0 HE2 LYS A 19 19.565 6.636 -8.887 1.00 71.11 H new ATOM 0 HE3 LYS A 19 19.088 8.236 -9.422 1.00 71.11 H new ATOM 0 HZ1 LYS A 19 20.531 8.351 -7.492 1.00 21.40 H new ATOM 0 HZ2 LYS A 19 18.993 8.953 -7.100 1.00 21.40 H new ATOM 0 HZ3 LYS A 19 19.455 7.404 -6.582 1.00 21.40 H new ATOM 298 N GLU A 20 12.881 4.072 -11.137 1.00 41.24 N ATOM 299 CA GLU A 20 11.595 3.432 -10.799 1.00 62.41 C ATOM 300 C GLU A 20 11.695 2.850 -9.376 1.00 54.43 C ATOM 301 O GLU A 20 12.541 1.989 -9.119 1.00 75.13 O ATOM 302 CB GLU A 20 11.259 2.309 -11.828 1.00 13.22 C ATOM 303 CG GLU A 20 9.974 1.489 -11.517 1.00 43.22 C ATOM 304 CD GLU A 20 9.688 0.388 -12.558 1.00 75.30 C ATOM 305 OE1 GLU A 20 8.987 0.667 -13.555 1.00 34.32 O ATOM 306 OE2 GLU A 20 10.156 -0.754 -12.384 1.00 32.14 O ATOM 0 H GLU A 20 13.460 3.521 -11.770 1.00 41.24 H new ATOM 0 HA GLU A 20 10.794 4.170 -10.838 1.00 62.41 H new ATOM 0 HB2 GLU A 20 11.152 2.762 -12.814 1.00 13.22 H new ATOM 0 HB3 GLU A 20 12.104 1.623 -11.882 1.00 13.22 H new ATOM 0 HG2 GLU A 20 10.072 1.032 -10.532 1.00 43.22 H new ATOM 0 HG3 GLU A 20 9.121 2.166 -11.471 1.00 43.22 H new ATOM 313 N THR A 21 10.859 3.352 -8.445 1.00 45.31 N ATOM 314 CA THR A 21 10.792 2.830 -7.074 1.00 51.21 C ATOM 315 C THR A 21 9.534 1.954 -6.915 1.00 54.22 C ATOM 316 O THR A 21 8.391 2.444 -6.912 1.00 32.12 O ATOM 317 CB THR A 21 10.859 3.971 -5.985 1.00 51.30 C ATOM 318 OG1 THR A 21 10.693 3.426 -4.657 1.00 40.21 O ATOM 319 CG2 THR A 21 9.825 5.088 -6.208 1.00 14.41 C ATOM 0 H THR A 21 10.218 4.125 -8.625 1.00 45.31 H new ATOM 0 HA THR A 21 11.674 2.213 -6.904 1.00 51.21 H new ATOM 0 HB THR A 21 11.849 4.417 -6.085 1.00 51.30 H new ATOM 0 HG1 THR A 21 10.739 4.150 -3.998 1.00 40.21 H new ATOM 0 HG21 THR A 21 9.926 5.839 -5.424 1.00 14.41 H new ATOM 0 HG22 THR A 21 9.995 5.552 -7.180 1.00 14.41 H new ATOM 0 HG23 THR A 21 8.821 4.665 -6.178 1.00 14.41 H new ATOM 327 N THR A 22 9.771 0.642 -6.857 1.00 44.25 N ATOM 328 CA THR A 22 8.757 -0.366 -6.548 1.00 63.33 C ATOM 329 C THR A 22 9.266 -1.235 -5.400 1.00 73.30 C ATOM 330 O THR A 22 10.448 -1.605 -5.378 1.00 51.31 O ATOM 331 CB THR A 22 8.421 -1.252 -7.792 1.00 71.23 C ATOM 332 OG1 THR A 22 9.620 -1.864 -8.289 1.00 2.01 O ATOM 333 CG2 THR A 22 7.749 -0.443 -8.920 1.00 72.22 C ATOM 0 H THR A 22 10.694 0.243 -7.027 1.00 44.25 H new ATOM 0 HA THR A 22 7.836 0.141 -6.259 1.00 63.33 H new ATOM 0 HB THR A 22 7.714 -2.016 -7.468 1.00 71.23 H new ATOM 0 HG1 THR A 22 9.405 -2.420 -9.067 1.00 2.01 H new ATOM 0 HG21 THR A 22 7.535 -1.101 -9.762 1.00 72.22 H new ATOM 0 HG22 THR A 22 6.819 -0.010 -8.553 1.00 72.22 H new ATOM 0 HG23 THR A 22 8.418 0.355 -9.244 1.00 72.22 H new ATOM 341 N TYR A 23 8.389 -1.554 -4.443 1.00 74.44 N ATOM 342 CA TYR A 23 8.767 -2.306 -3.239 1.00 4.41 C ATOM 343 C TYR A 23 8.298 -3.757 -3.354 1.00 64.24 C ATOM 344 O TYR A 23 7.127 -4.012 -3.638 1.00 0.23 O ATOM 345 CB TYR A 23 8.176 -1.617 -1.975 1.00 13.01 C ATOM 346 CG TYR A 23 8.913 -0.322 -1.597 1.00 64.23 C ATOM 347 CD1 TYR A 23 10.135 -0.376 -0.921 1.00 63.44 C ATOM 348 CD2 TYR A 23 8.413 0.944 -1.933 1.00 43.11 C ATOM 349 CE1 TYR A 23 10.827 0.775 -0.596 1.00 32.32 C ATOM 350 CE2 TYR A 23 9.110 2.095 -1.611 1.00 32.42 C ATOM 351 CZ TYR A 23 10.309 2.005 -0.941 1.00 33.10 C ATOM 352 OH TYR A 23 11.003 3.158 -0.619 1.00 34.13 O ATOM 0 H TYR A 23 7.402 -1.300 -4.479 1.00 74.44 H new ATOM 0 HA TYR A 23 9.853 -2.313 -3.144 1.00 4.41 H new ATOM 0 HB2 TYR A 23 7.124 -1.392 -2.149 1.00 13.01 H new ATOM 0 HB3 TYR A 23 8.219 -2.311 -1.136 1.00 13.01 H new ATOM 0 HD1 TYR A 23 10.547 -1.336 -0.647 1.00 63.44 H new ATOM 0 HD2 TYR A 23 7.469 1.022 -2.451 1.00 43.11 H new ATOM 0 HE1 TYR A 23 11.770 0.711 -0.074 1.00 32.32 H new ATOM 0 HE2 TYR A 23 8.714 3.062 -1.885 1.00 32.42 H new ATOM 0 HH TYR A 23 11.965 2.969 -0.609 1.00 34.13 H new ATOM 362 N ASP A 24 9.247 -4.692 -3.152 1.00 35.34 N ATOM 363 CA ASP A 24 8.995 -6.142 -3.177 1.00 75.41 C ATOM 364 C ASP A 24 8.679 -6.637 -1.758 1.00 11.31 C ATOM 365 O ASP A 24 9.377 -6.283 -0.799 1.00 64.22 O ATOM 366 CB ASP A 24 10.215 -6.910 -3.755 1.00 24.42 C ATOM 367 CG ASP A 24 10.433 -6.644 -5.252 1.00 72.34 C ATOM 368 OD1 ASP A 24 11.122 -5.661 -5.601 1.00 64.24 O ATOM 369 OD2 ASP A 24 9.914 -7.415 -6.088 1.00 53.41 O ATOM 0 H ASP A 24 10.222 -4.456 -2.965 1.00 35.34 H new ATOM 0 HA ASP A 24 8.140 -6.334 -3.825 1.00 75.41 H new ATOM 0 HB2 ASP A 24 11.112 -6.624 -3.206 1.00 24.42 H new ATOM 0 HB3 ASP A 24 10.073 -7.979 -3.598 1.00 24.42 H new ATOM 374 N LEU A 25 7.634 -7.464 -1.650 1.00 22.43 N ATOM 375 CA LEU A 25 7.171 -8.048 -0.388 1.00 55.05 C ATOM 376 C LEU A 25 6.353 -9.304 -0.701 1.00 43.31 C ATOM 377 O LEU A 25 5.652 -9.359 -1.721 1.00 4.54 O ATOM 378 CB LEU A 25 6.362 -7.007 0.452 1.00 11.23 C ATOM 379 CG LEU A 25 5.080 -6.377 -0.212 1.00 22.41 C ATOM 380 CD1 LEU A 25 3.769 -7.086 0.216 1.00 10.24 C ATOM 381 CD2 LEU A 25 5.000 -4.868 0.051 1.00 62.14 C ATOM 0 H LEU A 25 7.076 -7.752 -2.454 1.00 22.43 H new ATOM 0 HA LEU A 25 8.026 -8.332 0.226 1.00 55.05 H new ATOM 0 HB2 LEU A 25 6.058 -7.488 1.382 1.00 11.23 H new ATOM 0 HB3 LEU A 25 7.036 -6.194 0.720 1.00 11.23 H new ATOM 0 HG LEU A 25 5.183 -6.533 -1.286 1.00 22.41 H new ATOM 0 HD11 LEU A 25 2.920 -6.608 -0.273 1.00 10.24 H new ATOM 0 HD12 LEU A 25 3.811 -8.136 -0.075 1.00 10.24 H new ATOM 0 HD13 LEU A 25 3.652 -7.013 1.297 1.00 10.24 H new ATOM 0 HD21 LEU A 25 4.104 -4.464 -0.420 1.00 62.14 H new ATOM 0 HD22 LEU A 25 4.958 -4.688 1.125 1.00 62.14 H new ATOM 0 HD23 LEU A 25 5.881 -4.379 -0.365 1.00 62.14 H new ATOM 393 N TYR A 26 6.476 -10.318 0.163 1.00 63.34 N ATOM 394 CA TYR A 26 5.886 -11.647 -0.047 1.00 61.03 C ATOM 395 C TYR A 26 5.047 -12.025 1.173 1.00 2.21 C ATOM 396 O TYR A 26 5.582 -12.483 2.193 1.00 73.31 O ATOM 397 CB TYR A 26 7.005 -12.693 -0.317 1.00 72.31 C ATOM 398 CG TYR A 26 7.807 -12.397 -1.592 1.00 45.02 C ATOM 399 CD1 TYR A 26 7.344 -12.816 -2.839 1.00 63.53 C ATOM 400 CD2 TYR A 26 9.002 -11.660 -1.555 1.00 43.42 C ATOM 401 CE1 TYR A 26 8.033 -12.515 -3.994 1.00 3.14 C ATOM 402 CE2 TYR A 26 9.696 -11.366 -2.713 1.00 72.24 C ATOM 403 CZ TYR A 26 9.205 -11.795 -3.926 1.00 33.12 C ATOM 404 OH TYR A 26 9.881 -11.491 -5.087 1.00 31.23 O ATOM 0 H TYR A 26 6.994 -10.239 1.038 1.00 63.34 H new ATOM 0 HA TYR A 26 5.235 -11.630 -0.921 1.00 61.03 H new ATOM 0 HB2 TYR A 26 7.684 -12.719 0.535 1.00 72.31 H new ATOM 0 HB3 TYR A 26 6.557 -13.683 -0.398 1.00 72.31 H new ATOM 0 HD1 TYR A 26 6.429 -13.387 -2.901 1.00 63.53 H new ATOM 0 HD2 TYR A 26 9.385 -11.317 -0.605 1.00 43.42 H new ATOM 0 HE1 TYR A 26 7.654 -12.843 -4.951 1.00 3.14 H new ATOM 0 HE2 TYR A 26 10.617 -10.804 -2.667 1.00 72.24 H new ATOM 0 HH TYR A 26 10.688 -10.978 -4.871 1.00 31.23 H new ATOM 414 N PHE A 27 3.737 -11.752 1.073 1.00 13.50 N ATOM 415 CA PHE A 27 2.750 -12.149 2.077 1.00 13.24 C ATOM 416 C PHE A 27 2.574 -13.682 2.072 1.00 14.35 C ATOM 417 O PHE A 27 2.417 -14.304 1.015 1.00 61.00 O ATOM 418 CB PHE A 27 1.394 -11.411 1.837 1.00 73.51 C ATOM 419 CG PHE A 27 0.192 -12.020 2.575 1.00 34.35 C ATOM 420 CD1 PHE A 27 0.157 -12.074 3.965 1.00 64.31 C ATOM 421 CD2 PHE A 27 -0.880 -12.586 1.879 1.00 53.33 C ATOM 422 CE1 PHE A 27 -0.900 -12.661 4.630 1.00 2.03 C ATOM 423 CE2 PHE A 27 -1.926 -13.179 2.551 1.00 25.41 C ATOM 424 CZ PHE A 27 -1.933 -13.215 3.925 1.00 4.35 C ATOM 0 H PHE A 27 3.334 -11.245 0.285 1.00 13.50 H new ATOM 0 HA PHE A 27 3.110 -11.857 3.064 1.00 13.24 H new ATOM 0 HB2 PHE A 27 1.503 -10.371 2.144 1.00 73.51 H new ATOM 0 HB3 PHE A 27 1.182 -11.407 0.768 1.00 73.51 H new ATOM 0 HD1 PHE A 27 0.971 -11.649 4.533 1.00 64.31 H new ATOM 0 HD2 PHE A 27 -0.888 -12.558 0.799 1.00 53.33 H new ATOM 0 HE1 PHE A 27 -0.912 -12.683 5.710 1.00 2.03 H new ATOM 0 HE2 PHE A 27 -2.743 -13.617 1.997 1.00 25.41 H new ATOM 0 HZ PHE A 27 -2.755 -13.681 4.448 1.00 4.35 H new ATOM 434 N SER A 28 2.636 -14.257 3.271 1.00 11.32 N ATOM 435 CA SER A 28 2.424 -15.692 3.534 1.00 62.12 C ATOM 436 C SER A 28 1.789 -15.866 4.934 1.00 53.10 C ATOM 437 O SER A 28 1.052 -16.829 5.183 1.00 33.53 O ATOM 438 CB SER A 28 3.768 -16.462 3.429 1.00 1.42 C ATOM 439 OG SER A 28 4.333 -16.369 2.127 1.00 5.23 O ATOM 0 H SER A 28 2.841 -13.727 4.118 1.00 11.32 H new ATOM 0 HA SER A 28 1.746 -16.105 2.788 1.00 62.12 H new ATOM 0 HB2 SER A 28 4.472 -16.064 4.159 1.00 1.42 H new ATOM 0 HB3 SER A 28 3.606 -17.510 3.680 1.00 1.42 H new ATOM 0 HG SER A 28 5.178 -16.864 2.101 1.00 5.23 H new ATOM 445 N LYS A 29 2.083 -14.912 5.841 1.00 73.04 N ATOM 446 CA LYS A 29 1.491 -14.843 7.188 1.00 13.13 C ATOM 447 C LYS A 29 1.051 -13.392 7.455 1.00 35.21 C ATOM 448 O LYS A 29 1.814 -12.456 7.168 1.00 70.15 O ATOM 449 CB LYS A 29 2.504 -15.352 8.274 1.00 54.24 C ATOM 450 CG LYS A 29 1.930 -16.437 9.211 1.00 61.42 C ATOM 451 CD LYS A 29 1.500 -17.708 8.437 1.00 53.21 C ATOM 452 CE LYS A 29 0.918 -18.797 9.345 1.00 20.54 C ATOM 453 NZ LYS A 29 0.508 -19.998 8.564 1.00 20.41 N ATOM 0 H LYS A 29 2.746 -14.160 5.654 1.00 73.04 H new ATOM 0 HA LYS A 29 0.620 -15.496 7.244 1.00 13.13 H new ATOM 0 HB2 LYS A 29 3.387 -15.749 7.774 1.00 54.24 H new ATOM 0 HB3 LYS A 29 2.832 -14.504 8.875 1.00 54.24 H new ATOM 0 HG2 LYS A 29 2.678 -16.704 9.957 1.00 61.42 H new ATOM 0 HG3 LYS A 29 1.072 -16.034 9.749 1.00 61.42 H new ATOM 0 HD2 LYS A 29 0.759 -17.435 7.686 1.00 53.21 H new ATOM 0 HD3 LYS A 29 2.361 -18.110 7.904 1.00 53.21 H new ATOM 0 HE2 LYS A 29 1.658 -19.083 10.092 1.00 20.54 H new ATOM 0 HE3 LYS A 29 0.057 -18.401 9.884 1.00 20.54 H new ATOM 0 HZ1 LYS A 29 0.119 -20.715 9.209 1.00 20.41 H new ATOM 0 HZ2 LYS A 29 -0.216 -19.729 7.868 1.00 20.41 H new ATOM 0 HZ3 LYS A 29 1.335 -20.390 8.070 1.00 20.41 H new ATOM 467 N ALA A 30 -0.178 -13.226 7.993 1.00 3.45 N ATOM 468 CA ALA A 30 -0.806 -11.912 8.239 1.00 2.33 C ATOM 469 C ALA A 30 -0.043 -11.096 9.294 1.00 34.22 C ATOM 470 O ALA A 30 -0.047 -9.863 9.241 1.00 62.01 O ATOM 471 CB ALA A 30 -2.279 -12.088 8.646 1.00 10.22 C ATOM 0 H ALA A 30 -0.767 -14.011 8.271 1.00 3.45 H new ATOM 0 HA ALA A 30 -0.763 -11.350 7.306 1.00 2.33 H new ATOM 0 HB1 ALA A 30 -2.727 -11.110 8.824 1.00 10.22 H new ATOM 0 HB2 ALA A 30 -2.819 -12.595 7.846 1.00 10.22 H new ATOM 0 HB3 ALA A 30 -2.336 -12.684 9.557 1.00 10.22 H new ATOM 477 N GLU A 31 0.612 -11.804 10.242 1.00 21.33 N ATOM 478 CA GLU A 31 1.473 -11.197 11.279 1.00 3.04 C ATOM 479 C GLU A 31 2.630 -10.419 10.624 1.00 40.21 C ATOM 480 O GLU A 31 2.850 -9.231 10.908 1.00 64.11 O ATOM 481 CB GLU A 31 2.031 -12.301 12.223 1.00 25.43 C ATOM 482 CG GLU A 31 2.920 -11.775 13.373 1.00 45.31 C ATOM 483 CD GLU A 31 3.615 -12.897 14.161 1.00 24.24 C ATOM 484 OE1 GLU A 31 2.917 -13.681 14.842 1.00 72.44 O ATOM 485 OE2 GLU A 31 4.855 -13.028 14.068 1.00 34.31 O ATOM 0 H GLU A 31 0.557 -12.820 10.308 1.00 21.33 H new ATOM 0 HA GLU A 31 0.876 -10.501 11.868 1.00 3.04 H new ATOM 0 HB2 GLU A 31 1.194 -12.852 12.651 1.00 25.43 H new ATOM 0 HB3 GLU A 31 2.609 -13.010 11.630 1.00 25.43 H new ATOM 0 HG2 GLU A 31 3.676 -11.106 12.962 1.00 45.31 H new ATOM 0 HG3 GLU A 31 2.309 -11.185 14.056 1.00 45.31 H new ATOM 492 N GLU A 32 3.316 -11.109 9.703 1.00 11.43 N ATOM 493 CA GLU A 32 4.453 -10.560 8.955 1.00 34.30 C ATOM 494 C GLU A 32 3.984 -9.449 8.004 1.00 21.12 C ATOM 495 O GLU A 32 4.646 -8.417 7.889 1.00 1.42 O ATOM 496 CB GLU A 32 5.169 -11.684 8.170 1.00 21.24 C ATOM 497 CG GLU A 32 5.660 -12.855 9.055 1.00 20.43 C ATOM 498 CD GLU A 32 6.440 -13.914 8.266 1.00 35.13 C ATOM 499 OE1 GLU A 32 5.828 -14.578 7.407 1.00 42.12 O ATOM 500 OE2 GLU A 32 7.654 -14.092 8.498 1.00 61.10 O ATOM 0 H GLU A 32 3.094 -12.073 9.455 1.00 11.43 H new ATOM 0 HA GLU A 32 5.161 -10.127 9.662 1.00 34.30 H new ATOM 0 HB2 GLU A 32 4.489 -12.074 7.413 1.00 21.24 H new ATOM 0 HB3 GLU A 32 6.022 -11.258 7.643 1.00 21.24 H new ATOM 0 HG2 GLU A 32 6.294 -12.462 9.850 1.00 20.43 H new ATOM 0 HG3 GLU A 32 4.802 -13.326 9.535 1.00 20.43 H new ATOM 507 N ALA A 33 2.803 -9.657 7.382 1.00 72.23 N ATOM 508 CA ALA A 33 2.197 -8.703 6.437 1.00 61.24 C ATOM 509 C ALA A 33 1.969 -7.339 7.091 1.00 32.14 C ATOM 510 O ALA A 33 2.215 -6.311 6.470 1.00 11.22 O ATOM 511 CB ALA A 33 0.880 -9.253 5.888 1.00 43.41 C ATOM 0 H ALA A 33 2.243 -10.497 7.525 1.00 72.23 H new ATOM 0 HA ALA A 33 2.894 -8.568 5.610 1.00 61.24 H new ATOM 0 HB1 ALA A 33 0.448 -8.534 5.192 1.00 43.41 H new ATOM 0 HB2 ALA A 33 1.066 -10.193 5.369 1.00 43.41 H new ATOM 0 HB3 ALA A 33 0.186 -9.424 6.711 1.00 43.41 H new ATOM 517 N LYS A 34 1.537 -7.342 8.363 1.00 1.05 N ATOM 518 CA LYS A 34 1.323 -6.101 9.124 1.00 72.34 C ATOM 519 C LYS A 34 2.652 -5.364 9.392 1.00 14.12 C ATOM 520 O LYS A 34 2.653 -4.147 9.598 1.00 61.33 O ATOM 521 CB LYS A 34 0.532 -6.348 10.436 1.00 41.43 C ATOM 522 CG LYS A 34 -0.899 -6.911 10.210 1.00 64.42 C ATOM 523 CD LYS A 34 -1.859 -6.633 11.389 1.00 32.45 C ATOM 524 CE LYS A 34 -2.174 -5.138 11.559 1.00 30.45 C ATOM 525 NZ LYS A 34 -3.181 -4.896 12.631 1.00 71.32 N ATOM 0 H LYS A 34 1.329 -8.192 8.886 1.00 1.05 H new ATOM 0 HA LYS A 34 0.708 -5.451 8.502 1.00 72.34 H new ATOM 0 HB2 LYS A 34 1.092 -7.044 11.061 1.00 41.43 H new ATOM 0 HB3 LYS A 34 0.461 -5.411 10.988 1.00 41.43 H new ATOM 0 HG2 LYS A 34 -1.314 -6.474 9.302 1.00 64.42 H new ATOM 0 HG3 LYS A 34 -0.837 -7.987 10.047 1.00 64.42 H new ATOM 0 HD2 LYS A 34 -2.789 -7.180 11.232 1.00 32.45 H new ATOM 0 HD3 LYS A 34 -1.417 -7.014 12.310 1.00 32.45 H new ATOM 0 HE2 LYS A 34 -1.257 -4.599 11.796 1.00 30.45 H new ATOM 0 HE3 LYS A 34 -2.545 -4.737 10.616 1.00 30.45 H new ATOM 0 HZ1 LYS A 34 -3.364 -3.875 12.712 1.00 71.32 H new ATOM 0 HZ2 LYS A 34 -4.066 -5.388 12.394 1.00 71.32 H new ATOM 0 HZ3 LYS A 34 -2.817 -5.255 13.537 1.00 71.32 H new ATOM 539 N GLU A 35 3.773 -6.101 9.445 1.00 74.01 N ATOM 540 CA GLU A 35 5.109 -5.487 9.493 1.00 53.22 C ATOM 541 C GLU A 35 5.528 -4.963 8.095 1.00 62.35 C ATOM 542 O GLU A 35 6.284 -3.998 8.003 1.00 74.40 O ATOM 543 CB GLU A 35 6.172 -6.436 10.097 1.00 41.33 C ATOM 544 CG GLU A 35 7.536 -5.750 10.351 1.00 45.02 C ATOM 545 CD GLU A 35 8.448 -6.530 11.301 1.00 4.43 C ATOM 546 OE1 GLU A 35 8.319 -6.345 12.529 1.00 22.54 O ATOM 547 OE2 GLU A 35 9.293 -7.318 10.826 1.00 34.44 O ATOM 0 H GLU A 35 3.781 -7.121 9.456 1.00 74.01 H new ATOM 0 HA GLU A 35 5.049 -4.631 10.165 1.00 53.22 H new ATOM 0 HB2 GLU A 35 5.796 -6.839 11.037 1.00 41.33 H new ATOM 0 HB3 GLU A 35 6.318 -7.281 9.424 1.00 41.33 H new ATOM 0 HG2 GLU A 35 8.048 -5.615 9.398 1.00 45.02 H new ATOM 0 HG3 GLU A 35 7.362 -4.756 10.763 1.00 45.02 H new ATOM 554 N LEU A 36 5.037 -5.586 7.000 1.00 51.23 N ATOM 555 CA LEU A 36 5.197 -5.005 5.635 1.00 63.02 C ATOM 556 C LEU A 36 4.368 -3.708 5.494 1.00 31.42 C ATOM 557 O LEU A 36 4.748 -2.802 4.754 1.00 73.14 O ATOM 558 CB LEU A 36 4.848 -6.014 4.500 1.00 32.40 C ATOM 559 CG LEU A 36 5.948 -7.077 4.146 1.00 61.45 C ATOM 560 CD1 LEU A 36 7.341 -6.420 3.965 1.00 55.41 C ATOM 561 CD2 LEU A 36 6.000 -8.253 5.145 1.00 42.20 C ATOM 0 H LEU A 36 4.535 -6.474 7.025 1.00 51.23 H new ATOM 0 HA LEU A 36 6.254 -4.764 5.519 1.00 63.02 H new ATOM 0 HB2 LEU A 36 3.939 -6.545 4.783 1.00 32.40 H new ATOM 0 HB3 LEU A 36 4.618 -5.447 3.598 1.00 32.40 H new ATOM 0 HG LEU A 36 5.655 -7.507 3.188 1.00 61.45 H new ATOM 0 HD11 LEU A 36 8.076 -7.187 3.721 1.00 55.41 H new ATOM 0 HD12 LEU A 36 7.297 -5.690 3.157 1.00 55.41 H new ATOM 0 HD13 LEU A 36 7.631 -5.921 4.890 1.00 55.41 H new ATOM 0 HD21 LEU A 36 6.780 -8.952 4.844 1.00 42.20 H new ATOM 0 HD22 LEU A 36 6.218 -7.873 6.143 1.00 42.20 H new ATOM 0 HD23 LEU A 36 5.038 -8.765 5.154 1.00 42.20 H new ATOM 573 N LEU A 37 3.232 -3.643 6.211 1.00 1.25 N ATOM 574 CA LEU A 37 2.453 -2.397 6.391 1.00 13.35 C ATOM 575 C LEU A 37 3.324 -1.347 7.117 1.00 32.23 C ATOM 576 O LEU A 37 3.387 -0.185 6.696 1.00 41.33 O ATOM 577 CB LEU A 37 1.129 -2.711 7.183 1.00 4.04 C ATOM 578 CG LEU A 37 0.554 -1.608 8.155 1.00 61.01 C ATOM 579 CD1 LEU A 37 0.046 -0.362 7.399 1.00 52.31 C ATOM 580 CD2 LEU A 37 -0.542 -2.204 9.067 1.00 0.30 C ATOM 0 H LEU A 37 2.825 -4.450 6.683 1.00 1.25 H new ATOM 0 HA LEU A 37 2.170 -1.985 5.422 1.00 13.35 H new ATOM 0 HB2 LEU A 37 0.354 -2.947 6.453 1.00 4.04 H new ATOM 0 HB3 LEU A 37 1.300 -3.614 7.770 1.00 4.04 H new ATOM 0 HG LEU A 37 1.377 -1.270 8.784 1.00 61.01 H new ATOM 0 HD11 LEU A 37 -0.339 0.365 8.114 1.00 52.31 H new ATOM 0 HD12 LEU A 37 0.867 0.082 6.836 1.00 52.31 H new ATOM 0 HD13 LEU A 37 -0.749 -0.652 6.713 1.00 52.31 H new ATOM 0 HD21 LEU A 37 -0.926 -1.428 9.730 1.00 0.30 H new ATOM 0 HD22 LEU A 37 -1.355 -2.592 8.453 1.00 0.30 H new ATOM 0 HD23 LEU A 37 -0.119 -3.013 9.663 1.00 0.30 H new ATOM 592 N LYS A 38 4.011 -1.797 8.188 1.00 35.22 N ATOM 593 CA LYS A 38 4.920 -0.967 9.004 1.00 52.33 C ATOM 594 C LYS A 38 6.057 -0.389 8.137 1.00 22.40 C ATOM 595 O LYS A 38 6.392 0.791 8.252 1.00 54.22 O ATOM 596 CB LYS A 38 5.490 -1.830 10.167 1.00 73.21 C ATOM 597 CG LYS A 38 6.392 -1.094 11.188 1.00 32.31 C ATOM 598 CD LYS A 38 7.137 -2.069 12.142 1.00 30.53 C ATOM 599 CE LYS A 38 6.187 -2.995 12.923 1.00 4.30 C ATOM 600 NZ LYS A 38 6.920 -3.956 13.797 1.00 22.51 N ATOM 0 H LYS A 38 3.948 -2.761 8.514 1.00 35.22 H new ATOM 0 HA LYS A 38 4.366 -0.126 9.421 1.00 52.33 H new ATOM 0 HB2 LYS A 38 4.653 -2.273 10.707 1.00 73.21 H new ATOM 0 HB3 LYS A 38 6.061 -2.652 9.735 1.00 73.21 H new ATOM 0 HG2 LYS A 38 7.122 -0.488 10.651 1.00 32.31 H new ATOM 0 HG3 LYS A 38 5.782 -0.410 11.778 1.00 32.31 H new ATOM 0 HD2 LYS A 38 7.831 -2.677 11.561 1.00 30.53 H new ATOM 0 HD3 LYS A 38 7.734 -1.492 12.848 1.00 30.53 H new ATOM 0 HE2 LYS A 38 5.517 -2.391 13.534 1.00 4.30 H new ATOM 0 HE3 LYS A 38 5.565 -3.549 12.220 1.00 4.30 H new ATOM 0 HZ1 LYS A 38 6.259 -4.376 14.481 1.00 22.51 H new ATOM 0 HZ2 LYS A 38 7.338 -4.708 13.212 1.00 22.51 H new ATOM 0 HZ3 LYS A 38 7.675 -3.455 14.308 1.00 22.51 H new ATOM 614 N LYS A 39 6.609 -1.227 7.237 1.00 1.21 N ATOM 615 CA LYS A 39 7.748 -0.850 6.381 1.00 24.44 C ATOM 616 C LYS A 39 7.311 0.110 5.255 1.00 12.32 C ATOM 617 O LYS A 39 7.788 1.245 5.198 1.00 31.13 O ATOM 618 CB LYS A 39 8.407 -2.131 5.783 1.00 73.20 C ATOM 619 CG LYS A 39 9.045 -3.065 6.834 1.00 30.44 C ATOM 620 CD LYS A 39 9.614 -4.369 6.237 1.00 73.43 C ATOM 621 CE LYS A 39 10.140 -5.332 7.315 1.00 61.51 C ATOM 622 NZ LYS A 39 11.197 -4.712 8.168 1.00 22.35 N ATOM 0 H LYS A 39 6.278 -2.180 7.085 1.00 1.21 H new ATOM 0 HA LYS A 39 8.479 -0.325 6.996 1.00 24.44 H new ATOM 0 HB2 LYS A 39 7.653 -2.689 5.228 1.00 73.20 H new ATOM 0 HB3 LYS A 39 9.173 -1.832 5.067 1.00 73.20 H new ATOM 0 HG2 LYS A 39 9.845 -2.530 7.345 1.00 30.44 H new ATOM 0 HG3 LYS A 39 8.297 -3.316 7.587 1.00 30.44 H new ATOM 0 HD2 LYS A 39 8.838 -4.868 5.657 1.00 73.43 H new ATOM 0 HD3 LYS A 39 10.422 -4.126 5.546 1.00 73.43 H new ATOM 0 HE2 LYS A 39 9.311 -5.654 7.946 1.00 61.51 H new ATOM 0 HE3 LYS A 39 10.542 -6.225 6.836 1.00 61.51 H new ATOM 0 HZ1 LYS A 39 11.578 -5.425 8.822 1.00 22.35 H new ATOM 0 HZ2 LYS A 39 11.963 -4.351 7.564 1.00 22.35 H new ATOM 0 HZ3 LYS A 39 10.787 -3.927 8.713 1.00 22.35 H new ATOM 636 N VAL A 40 6.327 -0.325 4.437 1.00 53.44 N ATOM 637 CA VAL A 40 5.907 0.385 3.206 1.00 11.34 C ATOM 638 C VAL A 40 5.309 1.772 3.518 1.00 30.33 C ATOM 639 O VAL A 40 5.614 2.746 2.820 1.00 32.32 O ATOM 640 CB VAL A 40 4.891 -0.495 2.367 1.00 1.32 C ATOM 641 CG1 VAL A 40 4.249 0.284 1.194 1.00 43.32 C ATOM 642 CG2 VAL A 40 5.587 -1.776 1.845 1.00 61.11 C ATOM 0 H VAL A 40 5.800 -1.181 4.611 1.00 53.44 H new ATOM 0 HA VAL A 40 6.800 0.547 2.603 1.00 11.34 H new ATOM 0 HB VAL A 40 4.083 -0.772 3.044 1.00 1.32 H new ATOM 0 HG11 VAL A 40 3.563 -0.370 0.656 1.00 43.32 H new ATOM 0 HG12 VAL A 40 3.702 1.143 1.584 1.00 43.32 H new ATOM 0 HG13 VAL A 40 5.029 0.628 0.515 1.00 43.32 H new ATOM 0 HG21 VAL A 40 4.875 -2.369 1.271 1.00 61.11 H new ATOM 0 HG22 VAL A 40 6.427 -1.500 1.207 1.00 61.11 H new ATOM 0 HG23 VAL A 40 5.950 -2.362 2.689 1.00 61.11 H new ATOM 652 N ALA A 41 4.496 1.856 4.587 1.00 50.33 N ATOM 653 CA ALA A 41 3.833 3.111 4.974 1.00 31.21 C ATOM 654 C ALA A 41 4.842 4.163 5.486 1.00 40.42 C ATOM 655 O ALA A 41 4.633 5.359 5.276 1.00 32.44 O ATOM 656 CB ALA A 41 2.726 2.841 5.999 1.00 24.31 C ATOM 0 H ALA A 41 4.283 1.067 5.198 1.00 50.33 H new ATOM 0 HA ALA A 41 3.371 3.533 4.081 1.00 31.21 H new ATOM 0 HB1 ALA A 41 2.247 3.781 6.273 1.00 24.31 H new ATOM 0 HB2 ALA A 41 1.985 2.169 5.566 1.00 24.31 H new ATOM 0 HB3 ALA A 41 3.158 2.381 6.888 1.00 24.31 H new ATOM 662 N GLU A 42 5.934 3.708 6.145 1.00 44.44 N ATOM 663 CA GLU A 42 7.038 4.603 6.571 1.00 12.03 C ATOM 664 C GLU A 42 7.917 5.008 5.372 1.00 65.42 C ATOM 665 O GLU A 42 8.380 6.153 5.298 1.00 5.03 O ATOM 666 CB GLU A 42 7.920 3.945 7.665 1.00 34.21 C ATOM 667 CG GLU A 42 7.216 3.691 9.010 1.00 45.53 C ATOM 668 CD GLU A 42 6.731 4.969 9.722 1.00 2.13 C ATOM 669 OE1 GLU A 42 7.525 5.585 10.460 1.00 23.34 O ATOM 670 OE2 GLU A 42 5.554 5.342 9.568 1.00 42.51 O ATOM 0 H GLU A 42 6.075 2.729 6.393 1.00 44.44 H new ATOM 0 HA GLU A 42 6.577 5.496 6.992 1.00 12.03 H new ATOM 0 HB2 GLU A 42 8.295 2.995 7.284 1.00 34.21 H new ATOM 0 HB3 GLU A 42 8.787 4.582 7.842 1.00 34.21 H new ATOM 0 HG2 GLU A 42 6.361 3.036 8.842 1.00 45.53 H new ATOM 0 HG3 GLU A 42 7.900 3.158 9.670 1.00 45.53 H new ATOM 677 N LYS A 43 8.147 4.057 4.444 1.00 61.44 N ATOM 678 CA LYS A 43 8.944 4.303 3.223 1.00 72.12 C ATOM 679 C LYS A 43 8.228 5.321 2.312 1.00 4.40 C ATOM 680 O LYS A 43 8.878 6.145 1.665 1.00 71.31 O ATOM 681 CB LYS A 43 9.197 2.985 2.432 1.00 75.41 C ATOM 682 CG LYS A 43 10.047 1.913 3.157 1.00 71.32 C ATOM 683 CD LYS A 43 11.473 2.379 3.524 1.00 1.40 C ATOM 684 CE LYS A 43 12.266 1.300 4.290 1.00 24.32 C ATOM 685 NZ LYS A 43 13.612 1.796 4.717 1.00 71.41 N ATOM 0 H LYS A 43 7.789 3.105 4.518 1.00 61.44 H new ATOM 0 HA LYS A 43 9.907 4.707 3.535 1.00 72.12 H new ATOM 0 HB2 LYS A 43 8.232 2.545 2.179 1.00 75.41 H new ATOM 0 HB3 LYS A 43 9.689 3.237 1.493 1.00 75.41 H new ATOM 0 HG2 LYS A 43 9.530 1.610 4.068 1.00 71.32 H new ATOM 0 HG3 LYS A 43 10.117 1.030 2.522 1.00 71.32 H new ATOM 0 HD2 LYS A 43 12.011 2.644 2.614 1.00 1.40 H new ATOM 0 HD3 LYS A 43 11.412 3.281 4.132 1.00 1.40 H new ATOM 0 HE2 LYS A 43 11.699 0.987 5.167 1.00 24.32 H new ATOM 0 HE3 LYS A 43 12.387 0.420 3.658 1.00 24.32 H new ATOM 0 HZ1 LYS A 43 14.114 1.042 5.228 1.00 71.41 H new ATOM 0 HZ2 LYS A 43 14.163 2.071 3.879 1.00 71.41 H new ATOM 0 HZ3 LYS A 43 13.496 2.620 5.341 1.00 71.41 H new ATOM 699 N ALA A 44 6.884 5.247 2.297 1.00 12.32 N ATOM 700 CA ALA A 44 6.021 6.163 1.535 1.00 4.20 C ATOM 701 C ALA A 44 5.946 7.518 2.244 1.00 33.24 C ATOM 702 O ALA A 44 6.011 8.559 1.595 1.00 41.10 O ATOM 703 CB ALA A 44 4.619 5.554 1.350 1.00 73.21 C ATOM 0 H ALA A 44 6.364 4.542 2.819 1.00 12.32 H new ATOM 0 HA ALA A 44 6.450 6.316 0.545 1.00 4.20 H new ATOM 0 HB1 ALA A 44 3.994 6.245 0.784 1.00 73.21 H new ATOM 0 HB2 ALA A 44 4.700 4.612 0.808 1.00 73.21 H new ATOM 0 HB3 ALA A 44 4.169 5.374 2.326 1.00 73.21 H new ATOM 709 N ALA A 45 5.854 7.489 3.595 1.00 13.23 N ATOM 710 CA ALA A 45 5.830 8.714 4.435 1.00 75.23 C ATOM 711 C ALA A 45 7.147 9.518 4.307 1.00 41.32 C ATOM 712 O ALA A 45 7.159 10.739 4.475 1.00 64.23 O ATOM 713 CB ALA A 45 5.557 8.359 5.900 1.00 71.14 C ATOM 0 H ALA A 45 5.795 6.623 4.131 1.00 13.23 H new ATOM 0 HA ALA A 45 5.020 9.346 4.072 1.00 75.23 H new ATOM 0 HB1 ALA A 45 5.543 9.270 6.499 1.00 71.14 H new ATOM 0 HB2 ALA A 45 4.592 7.858 5.979 1.00 71.14 H new ATOM 0 HB3 ALA A 45 6.341 7.696 6.266 1.00 71.14 H new ATOM 719 N ASP A 46 8.244 8.783 4.035 1.00 30.30 N ATOM 720 CA ASP A 46 9.586 9.340 3.737 1.00 24.23 C ATOM 721 C ASP A 46 9.582 10.099 2.394 1.00 75.31 C ATOM 722 O ASP A 46 10.228 11.147 2.250 1.00 73.04 O ATOM 723 CB ASP A 46 10.615 8.173 3.706 1.00 3.44 C ATOM 724 CG ASP A 46 11.999 8.561 3.147 1.00 71.32 C ATOM 725 OD1 ASP A 46 12.870 9.005 3.927 1.00 33.53 O ATOM 726 OD2 ASP A 46 12.230 8.404 1.919 1.00 4.41 O ATOM 0 H ASP A 46 8.225 7.763 4.015 1.00 30.30 H new ATOM 0 HA ASP A 46 9.863 10.053 4.513 1.00 24.23 H new ATOM 0 HB2 ASP A 46 10.740 7.788 4.718 1.00 3.44 H new ATOM 0 HB3 ASP A 46 10.208 7.361 3.104 1.00 3.44 H new ATOM 731 N LYS A 47 8.849 9.542 1.417 1.00 42.44 N ATOM 732 CA LYS A 47 8.719 10.134 0.070 1.00 73.43 C ATOM 733 C LYS A 47 7.888 11.412 0.128 1.00 61.12 C ATOM 734 O LYS A 47 8.187 12.378 -0.568 1.00 55.13 O ATOM 735 CB LYS A 47 8.063 9.135 -0.902 1.00 71.44 C ATOM 736 CG LYS A 47 8.802 7.799 -1.010 1.00 62.00 C ATOM 737 CD LYS A 47 10.237 7.947 -1.545 1.00 73.43 C ATOM 738 CE LYS A 47 10.947 6.595 -1.619 1.00 55.21 C ATOM 739 NZ LYS A 47 11.033 5.945 -0.284 1.00 41.01 N ATOM 0 H LYS A 47 8.330 8.672 1.535 1.00 42.44 H new ATOM 0 HA LYS A 47 9.719 10.374 -0.291 1.00 73.43 H new ATOM 0 HB2 LYS A 47 7.039 8.948 -0.579 1.00 71.44 H new ATOM 0 HB3 LYS A 47 8.007 9.589 -1.891 1.00 71.44 H new ATOM 0 HG2 LYS A 47 8.833 7.327 -0.028 1.00 62.00 H new ATOM 0 HG3 LYS A 47 8.242 7.133 -1.666 1.00 62.00 H new ATOM 0 HD2 LYS A 47 10.213 8.402 -2.535 1.00 73.43 H new ATOM 0 HD3 LYS A 47 10.800 8.621 -0.899 1.00 73.43 H new ATOM 0 HE2 LYS A 47 10.413 5.941 -2.308 1.00 55.21 H new ATOM 0 HE3 LYS A 47 11.950 6.732 -2.022 1.00 55.21 H new ATOM 0 HZ1 LYS A 47 11.232 4.931 -0.404 1.00 41.01 H new ATOM 0 HZ2 LYS A 47 11.797 6.385 0.268 1.00 41.01 H new ATOM 0 HZ3 LYS A 47 10.130 6.064 0.219 1.00 41.01 H new ATOM 753 N ILE A 48 6.842 11.371 0.977 1.00 72.12 N ATOM 754 CA ILE A 48 5.955 12.510 1.266 1.00 32.21 C ATOM 755 C ILE A 48 6.723 13.608 2.021 1.00 41.52 C ATOM 756 O ILE A 48 6.496 14.808 1.799 1.00 24.32 O ATOM 757 CB ILE A 48 4.720 12.035 2.124 1.00 71.13 C ATOM 758 CG1 ILE A 48 3.927 10.920 1.368 1.00 65.03 C ATOM 759 CG2 ILE A 48 3.797 13.221 2.510 1.00 14.14 C ATOM 760 CD1 ILE A 48 3.062 10.046 2.252 1.00 4.10 C ATOM 0 H ILE A 48 6.587 10.527 1.490 1.00 72.12 H new ATOM 0 HA ILE A 48 5.596 12.917 0.321 1.00 32.21 H new ATOM 0 HB ILE A 48 5.101 11.614 3.054 1.00 71.13 H new ATOM 0 HG12 ILE A 48 3.294 11.390 0.615 1.00 65.03 H new ATOM 0 HG13 ILE A 48 4.637 10.286 0.837 1.00 65.03 H new ATOM 0 HG21 ILE A 48 2.958 12.852 3.100 1.00 14.14 H new ATOM 0 HG22 ILE A 48 4.362 13.946 3.096 1.00 14.14 H new ATOM 0 HG23 ILE A 48 3.421 13.699 1.605 1.00 14.14 H new ATOM 0 HD11 ILE A 48 2.551 9.303 1.640 1.00 4.10 H new ATOM 0 HD12 ILE A 48 3.687 9.542 2.989 1.00 4.10 H new ATOM 0 HD13 ILE A 48 2.324 10.664 2.764 1.00 4.10 H new ATOM 772 N LYS A 49 7.648 13.164 2.902 1.00 5.21 N ATOM 773 CA LYS A 49 8.494 14.051 3.707 1.00 53.50 C ATOM 774 C LYS A 49 9.372 14.924 2.789 1.00 14.54 C ATOM 775 O LYS A 49 9.515 16.131 3.016 1.00 35.31 O ATOM 776 CB LYS A 49 9.363 13.223 4.706 1.00 10.14 C ATOM 777 CG LYS A 49 10.235 14.037 5.704 1.00 32.11 C ATOM 778 CD LYS A 49 9.446 14.719 6.860 1.00 11.34 C ATOM 779 CE LYS A 49 8.728 16.019 6.455 1.00 32.44 C ATOM 780 NZ LYS A 49 7.984 16.619 7.593 1.00 61.20 N ATOM 0 H LYS A 49 7.823 12.173 3.070 1.00 5.21 H new ATOM 0 HA LYS A 49 7.856 14.712 4.294 1.00 53.50 H new ATOM 0 HB2 LYS A 49 8.700 12.576 5.281 1.00 10.14 H new ATOM 0 HB3 LYS A 49 10.021 12.573 4.129 1.00 10.14 H new ATOM 0 HG2 LYS A 49 10.982 13.372 6.137 1.00 32.11 H new ATOM 0 HG3 LYS A 49 10.775 14.805 5.150 1.00 32.11 H new ATOM 0 HD2 LYS A 49 8.708 14.015 7.246 1.00 11.34 H new ATOM 0 HD3 LYS A 49 10.135 14.937 7.676 1.00 11.34 H new ATOM 0 HE2 LYS A 49 9.459 16.736 6.081 1.00 32.44 H new ATOM 0 HE3 LYS A 49 8.037 15.813 5.638 1.00 32.44 H new ATOM 0 HZ1 LYS A 49 7.515 17.492 7.279 1.00 61.20 H new ATOM 0 HZ2 LYS A 49 7.269 15.945 7.934 1.00 61.20 H new ATOM 0 HZ3 LYS A 49 8.647 16.840 8.363 1.00 61.20 H new ATOM 794 N LYS A 50 9.913 14.300 1.733 1.00 73.04 N ATOM 795 CA LYS A 50 10.686 14.992 0.689 1.00 44.33 C ATOM 796 C LYS A 50 9.751 15.815 -0.233 1.00 14.33 C ATOM 797 O LYS A 50 9.998 17.004 -0.487 1.00 31.22 O ATOM 798 CB LYS A 50 11.506 13.951 -0.129 1.00 53.44 C ATOM 799 CG LYS A 50 12.594 13.211 0.683 1.00 41.23 C ATOM 800 CD LYS A 50 13.401 12.202 -0.170 1.00 20.42 C ATOM 801 CE LYS A 50 14.522 11.512 0.633 1.00 54.21 C ATOM 802 NZ LYS A 50 13.996 10.770 1.812 1.00 31.12 N ATOM 0 H LYS A 50 9.827 13.296 1.577 1.00 73.04 H new ATOM 0 HA LYS A 50 11.378 15.690 1.161 1.00 44.33 H new ATOM 0 HB2 LYS A 50 10.820 13.215 -0.548 1.00 53.44 H new ATOM 0 HB3 LYS A 50 11.980 14.459 -0.969 1.00 53.44 H new ATOM 0 HG2 LYS A 50 13.277 13.942 1.115 1.00 41.23 H new ATOM 0 HG3 LYS A 50 12.125 12.683 1.513 1.00 41.23 H new ATOM 0 HD2 LYS A 50 12.725 11.445 -0.568 1.00 20.42 H new ATOM 0 HD3 LYS A 50 13.837 12.720 -1.024 1.00 20.42 H new ATOM 0 HE2 LYS A 50 15.060 10.822 -0.017 1.00 54.21 H new ATOM 0 HE3 LYS A 50 15.240 12.261 0.968 1.00 54.21 H new ATOM 0 HZ1 LYS A 50 14.778 10.281 2.292 1.00 31.12 H new ATOM 0 HZ2 LYS A 50 13.549 11.438 2.472 1.00 31.12 H new ATOM 0 HZ3 LYS A 50 13.293 10.072 1.497 1.00 31.12 H new ATOM 816 N GLN A 51 8.650 15.180 -0.677 1.00 42.42 N ATOM 817 CA GLN A 51 7.686 15.762 -1.634 1.00 73.20 C ATOM 818 C GLN A 51 6.376 14.943 -1.597 1.00 54.14 C ATOM 819 O GLN A 51 6.372 13.772 -1.983 1.00 11.32 O ATOM 820 CB GLN A 51 8.285 15.774 -3.077 1.00 74.42 C ATOM 821 CG GLN A 51 7.448 16.543 -4.119 1.00 41.45 C ATOM 822 CD GLN A 51 7.262 18.034 -3.797 1.00 63.32 C ATOM 823 OE1 GLN A 51 6.233 18.622 -4.129 1.00 35.42 O ATOM 824 NE2 GLN A 51 8.254 18.667 -3.173 1.00 31.42 N ATOM 0 H GLN A 51 8.401 14.237 -0.379 1.00 42.42 H new ATOM 0 HA GLN A 51 7.474 16.793 -1.350 1.00 73.20 H new ATOM 0 HB2 GLN A 51 9.282 16.213 -3.038 1.00 74.42 H new ATOM 0 HB3 GLN A 51 8.403 14.744 -3.415 1.00 74.42 H new ATOM 0 HG2 GLN A 51 7.926 16.450 -5.094 1.00 41.45 H new ATOM 0 HG3 GLN A 51 6.467 16.074 -4.199 1.00 41.45 H new ATOM 0 HE21 GLN A 51 9.097 18.158 -2.908 1.00 31.42 H new ATOM 0 HE22 GLN A 51 8.171 19.661 -2.960 1.00 31.42 H new ATOM 833 N GLY A 52 5.281 15.582 -1.131 1.00 13.15 N ATOM 834 CA GLY A 52 3.991 14.913 -0.879 1.00 22.42 C ATOM 835 C GLY A 52 3.426 14.147 -2.078 1.00 5.04 C ATOM 836 O GLY A 52 3.143 14.754 -3.120 1.00 24.40 O ATOM 0 H GLY A 52 5.269 16.580 -0.919 1.00 13.15 H new ATOM 0 HA2 GLY A 52 4.112 14.220 -0.046 1.00 22.42 H new ATOM 0 HA3 GLY A 52 3.263 15.662 -0.567 1.00 22.42 H new ATOM 840 N CYS A 53 3.285 12.808 -1.938 1.00 62.45 N ATOM 841 CA CYS A 53 2.685 11.957 -2.979 1.00 55.42 C ATOM 842 C CYS A 53 1.176 12.256 -3.093 1.00 22.34 C ATOM 843 O CYS A 53 0.435 12.142 -2.108 1.00 61.31 O ATOM 844 CB CYS A 53 2.933 10.460 -2.675 1.00 34.04 C ATOM 845 SG CYS A 53 2.182 9.862 -1.146 1.00 62.23 S ATOM 0 H CYS A 53 3.582 12.296 -1.107 1.00 62.45 H new ATOM 0 HA CYS A 53 3.158 12.182 -3.935 1.00 55.42 H new ATOM 0 HB2 CYS A 53 2.552 9.867 -3.506 1.00 34.04 H new ATOM 0 HB3 CYS A 53 4.008 10.287 -2.627 1.00 34.04 H new ATOM 0 HG CYS A 53 2.452 8.599 -0.995 1.00 62.23 H new ATOM 851 N LYS A 54 0.744 12.664 -4.297 1.00 72.42 N ATOM 852 CA LYS A 54 -0.646 13.102 -4.566 1.00 24.15 C ATOM 853 C LYS A 54 -1.559 11.906 -4.905 1.00 20.03 C ATOM 854 O LYS A 54 -2.785 11.955 -4.701 1.00 23.41 O ATOM 855 CB LYS A 54 -0.649 14.144 -5.719 1.00 61.50 C ATOM 856 CG LYS A 54 -0.067 13.611 -7.052 1.00 52.14 C ATOM 857 CD LYS A 54 0.117 14.704 -8.128 1.00 21.45 C ATOM 858 CE LYS A 54 0.780 14.158 -9.404 1.00 41.31 C ATOM 859 NZ LYS A 54 2.126 13.561 -9.134 1.00 64.11 N ATOM 0 H LYS A 54 1.347 12.702 -5.119 1.00 72.42 H new ATOM 0 HA LYS A 54 -1.044 13.565 -3.663 1.00 24.15 H new ATOM 0 HB2 LYS A 54 -1.672 14.479 -5.889 1.00 61.50 H new ATOM 0 HB3 LYS A 54 -0.075 15.017 -5.407 1.00 61.50 H new ATOM 0 HG2 LYS A 54 0.896 13.141 -6.856 1.00 52.14 H new ATOM 0 HG3 LYS A 54 -0.727 12.836 -7.443 1.00 52.14 H new ATOM 0 HD2 LYS A 54 -0.854 15.131 -8.379 1.00 21.45 H new ATOM 0 HD3 LYS A 54 0.725 15.512 -7.722 1.00 21.45 H new ATOM 0 HE2 LYS A 54 0.134 13.403 -9.852 1.00 41.31 H new ATOM 0 HE3 LYS A 54 0.882 14.964 -10.131 1.00 41.31 H new ATOM 0 HZ1 LYS A 54 2.784 13.832 -9.892 1.00 64.11 H new ATOM 0 HZ2 LYS A 54 2.484 13.911 -8.222 1.00 64.11 H new ATOM 0 HZ3 LYS A 54 2.046 12.525 -9.100 1.00 64.11 H new ATOM 873 N ARG A 55 -0.943 10.835 -5.414 1.00 11.32 N ATOM 874 CA ARG A 55 -1.656 9.654 -5.911 1.00 13.34 C ATOM 875 C ARG A 55 -0.690 8.462 -5.880 1.00 1.42 C ATOM 876 O ARG A 55 0.279 8.439 -6.619 1.00 3.25 O ATOM 877 CB ARG A 55 -2.155 9.938 -7.363 1.00 4.31 C ATOM 878 CG ARG A 55 -2.863 8.765 -8.072 1.00 63.44 C ATOM 879 CD ARG A 55 -3.334 9.133 -9.493 1.00 52.14 C ATOM 880 NE ARG A 55 -4.065 8.027 -10.130 1.00 43.14 N ATOM 881 CZ ARG A 55 -4.634 8.062 -11.350 1.00 65.33 C ATOM 882 NH1 ARG A 55 -4.585 9.159 -12.104 1.00 72.22 N ATOM 883 NH2 ARG A 55 -5.266 6.987 -11.806 1.00 62.51 N ATOM 0 H ARG A 55 0.071 10.762 -5.493 1.00 11.32 H new ATOM 0 HA ARG A 55 -2.522 9.425 -5.290 1.00 13.34 H new ATOM 0 HB2 ARG A 55 -2.840 10.786 -7.332 1.00 4.31 H new ATOM 0 HB3 ARG A 55 -1.300 10.241 -7.968 1.00 4.31 H new ATOM 0 HG2 ARG A 55 -2.184 7.914 -8.127 1.00 63.44 H new ATOM 0 HG3 ARG A 55 -3.721 8.450 -7.478 1.00 63.44 H new ATOM 0 HD2 ARG A 55 -3.975 10.013 -9.447 1.00 52.14 H new ATOM 0 HD3 ARG A 55 -2.472 9.398 -10.104 1.00 52.14 H new ATOM 0 HE ARG A 55 -4.148 7.158 -9.602 1.00 43.14 H new ATOM 0 HH11 ARG A 55 -4.110 9.993 -11.760 1.00 72.22 H new ATOM 0 HH12 ARG A 55 -5.023 9.165 -13.025 1.00 72.22 H new ATOM 0 HH21 ARG A 55 -5.317 6.144 -11.233 1.00 62.51 H new ATOM 0 HH22 ARG A 55 -5.700 7.004 -12.729 1.00 62.51 H new ATOM 897 N VAL A 56 -0.989 7.461 -5.052 1.00 30.41 N ATOM 898 CA VAL A 56 -0.140 6.266 -4.862 1.00 23.02 C ATOM 899 C VAL A 56 -0.841 5.089 -5.543 1.00 33.12 C ATOM 900 O VAL A 56 -2.065 5.070 -5.610 1.00 4.33 O ATOM 901 CB VAL A 56 0.074 5.952 -3.325 1.00 72.35 C ATOM 902 CG1 VAL A 56 0.975 4.713 -3.103 1.00 24.43 C ATOM 903 CG2 VAL A 56 0.632 7.187 -2.584 1.00 3.34 C ATOM 0 H VAL A 56 -1.836 7.449 -4.484 1.00 30.41 H new ATOM 0 HA VAL A 56 0.844 6.441 -5.297 1.00 23.02 H new ATOM 0 HB VAL A 56 -0.903 5.713 -2.905 1.00 72.35 H new ATOM 0 HG11 VAL A 56 1.094 4.536 -2.034 1.00 24.43 H new ATOM 0 HG12 VAL A 56 0.514 3.840 -3.566 1.00 24.43 H new ATOM 0 HG13 VAL A 56 1.952 4.889 -3.552 1.00 24.43 H new ATOM 0 HG21 VAL A 56 0.771 6.947 -1.530 1.00 3.34 H new ATOM 0 HG22 VAL A 56 1.590 7.471 -3.020 1.00 3.34 H new ATOM 0 HG23 VAL A 56 -0.070 8.016 -2.678 1.00 3.34 H new ATOM 913 N LYS A 57 -0.076 4.140 -6.096 1.00 31.31 N ATOM 914 CA LYS A 57 -0.632 2.997 -6.838 1.00 23.01 C ATOM 915 C LYS A 57 -0.039 1.691 -6.293 1.00 65.31 C ATOM 916 O LYS A 57 1.163 1.463 -6.391 1.00 53.32 O ATOM 917 CB LYS A 57 -0.341 3.167 -8.359 1.00 54.03 C ATOM 918 CG LYS A 57 -1.002 4.416 -8.996 1.00 0.41 C ATOM 919 CD LYS A 57 -0.684 4.570 -10.498 1.00 72.43 C ATOM 920 CE LYS A 57 -1.418 5.759 -11.141 1.00 63.24 C ATOM 921 NZ LYS A 57 -1.211 5.826 -12.609 1.00 65.03 N ATOM 0 H LYS A 57 0.943 4.141 -6.043 1.00 31.31 H new ATOM 0 HA LYS A 57 -1.713 2.958 -6.705 1.00 23.01 H new ATOM 0 HB2 LYS A 57 0.737 3.225 -8.507 1.00 54.03 H new ATOM 0 HB3 LYS A 57 -0.688 2.278 -8.886 1.00 54.03 H new ATOM 0 HG2 LYS A 57 -2.082 4.355 -8.864 1.00 0.41 H new ATOM 0 HG3 LYS A 57 -0.666 5.307 -8.466 1.00 0.41 H new ATOM 0 HD2 LYS A 57 0.391 4.699 -10.626 1.00 72.43 H new ATOM 0 HD3 LYS A 57 -0.959 3.653 -11.019 1.00 72.43 H new ATOM 0 HE2 LYS A 57 -2.485 5.681 -10.931 1.00 63.24 H new ATOM 0 HE3 LYS A 57 -1.071 6.686 -10.685 1.00 63.24 H new ATOM 0 HZ1 LYS A 57 -1.725 6.643 -12.995 1.00 65.03 H new ATOM 0 HZ2 LYS A 57 -0.196 5.928 -12.812 1.00 65.03 H new ATOM 0 HZ3 LYS A 57 -1.566 4.954 -13.050 1.00 65.03 H new ATOM 935 N ILE A 58 -0.894 0.858 -5.694 1.00 31.23 N ATOM 936 CA ILE A 58 -0.535 -0.480 -5.201 1.00 13.54 C ATOM 937 C ILE A 58 -1.050 -1.509 -6.222 1.00 2.45 C ATOM 938 O ILE A 58 -2.251 -1.597 -6.451 1.00 41.33 O ATOM 939 CB ILE A 58 -1.183 -0.754 -3.779 1.00 42.25 C ATOM 940 CG1 ILE A 58 -0.650 0.272 -2.723 1.00 42.41 C ATOM 941 CG2 ILE A 58 -0.969 -2.219 -3.310 1.00 42.13 C ATOM 942 CD1 ILE A 58 -1.299 0.178 -1.347 1.00 61.34 C ATOM 0 H ILE A 58 -1.873 1.096 -5.534 1.00 31.23 H new ATOM 0 HA ILE A 58 0.547 -0.555 -5.089 1.00 13.54 H new ATOM 0 HB ILE A 58 -2.260 -0.614 -3.876 1.00 42.25 H new ATOM 0 HG12 ILE A 58 0.425 0.130 -2.611 1.00 42.41 H new ATOM 0 HG13 ILE A 58 -0.800 1.280 -3.110 1.00 42.41 H new ATOM 0 HG21 ILE A 58 -1.430 -2.359 -2.332 1.00 42.13 H new ATOM 0 HG22 ILE A 58 -1.426 -2.901 -4.027 1.00 42.13 H new ATOM 0 HG23 ILE A 58 0.099 -2.427 -3.241 1.00 42.13 H new ATOM 0 HD11 ILE A 58 -0.863 0.928 -0.687 1.00 61.34 H new ATOM 0 HD12 ILE A 58 -2.371 0.353 -1.438 1.00 61.34 H new ATOM 0 HD13 ILE A 58 -1.127 -0.815 -0.931 1.00 61.34 H new ATOM 954 N ARG A 59 -0.139 -2.241 -6.862 1.00 52.43 N ATOM 955 CA ARG A 59 -0.472 -3.338 -7.789 1.00 72.42 C ATOM 956 C ARG A 59 -0.056 -4.658 -7.135 1.00 22.24 C ATOM 957 O ARG A 59 0.983 -4.724 -6.459 1.00 53.53 O ATOM 958 CB ARG A 59 0.238 -3.158 -9.164 1.00 73.43 C ATOM 959 CG ARG A 59 -0.262 -1.958 -9.999 1.00 31.32 C ATOM 960 CD ARG A 59 0.367 -1.909 -11.403 1.00 0.10 C ATOM 961 NE ARG A 59 -0.196 -0.833 -12.240 1.00 41.22 N ATOM 962 CZ ARG A 59 0.360 -0.364 -13.379 1.00 44.43 C ATOM 963 NH1 ARG A 59 1.516 -0.858 -13.837 1.00 23.14 N ATOM 964 NH2 ARG A 59 -0.259 0.595 -14.059 1.00 45.33 N ATOM 0 H ARG A 59 0.864 -2.092 -6.755 1.00 52.43 H new ATOM 0 HA ARG A 59 -1.544 -3.335 -7.984 1.00 72.42 H new ATOM 0 HB2 ARG A 59 1.308 -3.042 -8.992 1.00 73.43 H new ATOM 0 HB3 ARG A 59 0.106 -4.069 -9.748 1.00 73.43 H new ATOM 0 HG2 ARG A 59 -1.347 -2.012 -10.093 1.00 31.32 H new ATOM 0 HG3 ARG A 59 -0.034 -1.032 -9.470 1.00 31.32 H new ATOM 0 HD2 ARG A 59 1.444 -1.766 -11.310 1.00 0.10 H new ATOM 0 HD3 ARG A 59 0.214 -2.868 -11.899 1.00 0.10 H new ATOM 0 HE ARG A 59 -1.073 -0.410 -11.936 1.00 41.22 H new ATOM 0 HH11 ARG A 59 1.992 -1.601 -13.325 1.00 23.14 H new ATOM 0 HH12 ARG A 59 1.921 -0.492 -14.699 1.00 23.14 H new ATOM 0 HH21 ARG A 59 -1.145 0.970 -13.720 1.00 45.33 H new ATOM 0 HH22 ARG A 59 0.152 0.956 -14.920 1.00 45.33 H new ATOM 978 N PHE A 60 -0.861 -5.698 -7.347 1.00 53.32 N ATOM 979 CA PHE A 60 -0.692 -6.992 -6.687 1.00 12.15 C ATOM 980 C PHE A 60 -1.316 -8.100 -7.551 1.00 41.42 C ATOM 981 O PHE A 60 -2.372 -7.892 -8.159 1.00 12.13 O ATOM 982 CB PHE A 60 -1.346 -6.923 -5.279 1.00 72.33 C ATOM 983 CG PHE A 60 -1.361 -8.242 -4.518 1.00 11.44 C ATOM 984 CD1 PHE A 60 -0.168 -8.869 -4.173 1.00 0.40 C ATOM 985 CD2 PHE A 60 -2.561 -8.848 -4.143 1.00 75.24 C ATOM 986 CE1 PHE A 60 -0.164 -10.056 -3.476 1.00 50.34 C ATOM 987 CE2 PHE A 60 -2.557 -10.036 -3.443 1.00 11.34 C ATOM 988 CZ PHE A 60 -1.357 -10.636 -3.108 1.00 63.02 C ATOM 0 H PHE A 60 -1.655 -5.666 -7.987 1.00 53.32 H new ATOM 0 HA PHE A 60 0.366 -7.226 -6.567 1.00 12.15 H new ATOM 0 HB2 PHE A 60 -0.815 -6.181 -4.683 1.00 72.33 H new ATOM 0 HB3 PHE A 60 -2.372 -6.570 -5.387 1.00 72.33 H new ATOM 0 HD1 PHE A 60 0.771 -8.417 -4.457 1.00 0.40 H new ATOM 0 HD2 PHE A 60 -3.500 -8.383 -4.403 1.00 75.24 H new ATOM 0 HE1 PHE A 60 0.771 -10.530 -3.219 1.00 50.34 H new ATOM 0 HE2 PHE A 60 -3.490 -10.498 -3.157 1.00 11.34 H new ATOM 0 HZ PHE A 60 -1.356 -11.564 -2.555 1.00 63.02 H new ATOM 998 N GLU A 61 -0.644 -9.266 -7.614 1.00 73.33 N ATOM 999 CA GLU A 61 -1.144 -10.449 -8.337 1.00 24.23 C ATOM 1000 C GLU A 61 -1.970 -11.332 -7.393 1.00 24.01 C ATOM 1001 O GLU A 61 -1.513 -11.678 -6.298 1.00 33.13 O ATOM 1002 CB GLU A 61 0.023 -11.249 -8.971 1.00 53.21 C ATOM 1003 CG GLU A 61 0.786 -10.466 -10.067 1.00 20.54 C ATOM 1004 CD GLU A 61 1.472 -11.373 -11.104 1.00 20.52 C ATOM 1005 OE1 GLU A 61 0.758 -11.948 -11.953 1.00 12.04 O ATOM 1006 OE2 GLU A 61 2.711 -11.512 -11.081 1.00 4.40 O ATOM 0 H GLU A 61 0.260 -9.413 -7.165 1.00 73.33 H new ATOM 0 HA GLU A 61 -1.789 -10.112 -9.149 1.00 24.23 H new ATOM 0 HB2 GLU A 61 0.724 -11.537 -8.187 1.00 53.21 H new ATOM 0 HB3 GLU A 61 -0.370 -12.170 -9.401 1.00 53.21 H new ATOM 0 HG2 GLU A 61 0.090 -9.803 -10.580 1.00 20.54 H new ATOM 0 HG3 GLU A 61 1.538 -9.834 -9.594 1.00 20.54 H new ATOM 1013 N LYS A 62 -3.169 -11.707 -7.855 1.00 5.15 N ATOM 1014 CA LYS A 62 -4.202 -12.371 -7.041 1.00 42.30 C ATOM 1015 C LYS A 62 -4.584 -13.734 -7.684 1.00 45.34 C ATOM 1016 O LYS A 62 -4.958 -14.681 -6.983 1.00 62.23 O ATOM 1017 CB LYS A 62 -5.418 -11.384 -6.904 1.00 61.11 C ATOM 1018 CG LYS A 62 -6.540 -11.768 -5.897 1.00 71.12 C ATOM 1019 CD LYS A 62 -7.546 -12.819 -6.432 1.00 4.10 C ATOM 1020 CE LYS A 62 -8.317 -12.330 -7.669 1.00 50.22 C ATOM 1021 NZ LYS A 62 -9.140 -13.407 -8.290 1.00 12.31 N ATOM 0 H LYS A 62 -3.456 -11.556 -8.822 1.00 5.15 H new ATOM 0 HA LYS A 62 -3.839 -12.601 -6.039 1.00 42.30 H new ATOM 0 HB2 LYS A 62 -5.029 -10.407 -6.618 1.00 61.11 H new ATOM 0 HB3 LYS A 62 -5.873 -11.271 -7.888 1.00 61.11 H new ATOM 0 HG2 LYS A 62 -6.079 -12.154 -4.988 1.00 71.12 H new ATOM 0 HG3 LYS A 62 -7.087 -10.867 -5.620 1.00 71.12 H new ATOM 0 HD2 LYS A 62 -7.010 -13.734 -6.682 1.00 4.10 H new ATOM 0 HD3 LYS A 62 -8.255 -13.071 -5.644 1.00 4.10 H new ATOM 0 HE2 LYS A 62 -8.964 -11.500 -7.385 1.00 50.22 H new ATOM 0 HE3 LYS A 62 -7.611 -11.946 -8.405 1.00 50.22 H new ATOM 0 HZ1 LYS A 62 -8.830 -13.559 -9.271 1.00 12.31 H new ATOM 0 HZ2 LYS A 62 -9.024 -14.288 -7.750 1.00 12.31 H new ATOM 0 HZ3 LYS A 62 -10.141 -13.126 -8.283 1.00 12.31 H new ATOM 1035 N LYS A 63 -4.483 -13.834 -9.018 1.00 13.54 N ATOM 1036 CA LYS A 63 -4.775 -15.082 -9.742 1.00 23.23 C ATOM 1037 C LYS A 63 -3.680 -16.128 -9.456 1.00 13.31 C ATOM 1038 O LYS A 63 -2.589 -16.071 -10.035 1.00 72.12 O ATOM 1039 CB LYS A 63 -4.891 -14.813 -11.265 1.00 44.44 C ATOM 1040 CG LYS A 63 -5.287 -16.041 -12.115 1.00 52.14 C ATOM 1041 CD LYS A 63 -5.398 -15.709 -13.624 1.00 21.11 C ATOM 1042 CE LYS A 63 -5.874 -16.908 -14.456 1.00 32.52 C ATOM 1043 NZ LYS A 63 -7.240 -17.350 -14.057 1.00 61.21 N ATOM 0 H LYS A 63 -4.200 -13.061 -9.621 1.00 13.54 H new ATOM 0 HA LYS A 63 -5.730 -15.474 -9.393 1.00 23.23 H new ATOM 0 HB2 LYS A 63 -5.628 -14.026 -11.425 1.00 44.44 H new ATOM 0 HB3 LYS A 63 -3.935 -14.433 -11.626 1.00 44.44 H new ATOM 0 HG2 LYS A 63 -4.548 -16.830 -11.974 1.00 52.14 H new ATOM 0 HG3 LYS A 63 -6.241 -16.431 -11.761 1.00 52.14 H new ATOM 0 HD2 LYS A 63 -6.091 -14.879 -13.760 1.00 21.11 H new ATOM 0 HD3 LYS A 63 -4.427 -15.378 -13.992 1.00 21.11 H new ATOM 0 HE2 LYS A 63 -5.872 -16.641 -15.513 1.00 32.52 H new ATOM 0 HE3 LYS A 63 -5.174 -17.735 -14.335 1.00 32.52 H new ATOM 0 HZ1 LYS A 63 -7.602 -18.032 -14.754 1.00 61.21 H new ATOM 0 HZ2 LYS A 63 -7.199 -17.801 -13.121 1.00 61.21 H new ATOM 0 HZ3 LYS A 63 -7.874 -16.526 -14.017 1.00 61.21 H new ATOM 1057 N GLY A 64 -3.970 -17.054 -8.524 1.00 30.34 N ATOM 1058 CA GLY A 64 -3.052 -18.158 -8.189 1.00 53.21 C ATOM 1059 C GLY A 64 -3.034 -18.517 -6.708 1.00 30.11 C ATOM 1060 O GLY A 64 -2.696 -19.656 -6.348 1.00 62.40 O ATOM 0 H GLY A 64 -4.837 -17.059 -7.987 1.00 30.34 H new ATOM 0 HA2 GLY A 64 -3.335 -19.040 -8.763 1.00 53.21 H new ATOM 0 HA3 GLY A 64 -2.043 -17.886 -8.499 1.00 53.21 H new ATOM 1064 N LEU A 65 -3.405 -17.553 -5.848 1.00 65.41 N ATOM 1065 CA LEU A 65 -3.375 -17.714 -4.375 1.00 43.32 C ATOM 1066 C LEU A 65 -4.757 -18.113 -3.807 1.00 33.40 C ATOM 1067 O LEU A 65 -5.711 -18.330 -4.561 1.00 65.45 O ATOM 1068 CB LEU A 65 -2.816 -16.409 -3.709 1.00 23.41 C ATOM 1069 CG LEU A 65 -3.362 -15.025 -4.228 1.00 74.22 C ATOM 1070 CD1 LEU A 65 -4.827 -14.753 -3.832 1.00 40.22 C ATOM 1071 CD2 LEU A 65 -2.463 -13.864 -3.771 1.00 13.35 C ATOM 0 H LEU A 65 -3.736 -16.637 -6.150 1.00 65.41 H new ATOM 0 HA LEU A 65 -2.703 -18.537 -4.132 1.00 43.32 H new ATOM 0 HB2 LEU A 65 -3.016 -16.467 -2.639 1.00 23.41 H new ATOM 0 HB3 LEU A 65 -1.733 -16.408 -3.831 1.00 23.41 H new ATOM 0 HG LEU A 65 -3.338 -15.090 -5.316 1.00 74.22 H new ATOM 0 HD11 LEU A 65 -5.135 -13.783 -4.223 1.00 40.22 H new ATOM 0 HD12 LEU A 65 -5.467 -15.532 -4.247 1.00 40.22 H new ATOM 0 HD13 LEU A 65 -4.916 -14.751 -2.746 1.00 40.22 H new ATOM 0 HD21 LEU A 65 -2.866 -12.923 -4.145 1.00 13.35 H new ATOM 0 HD22 LEU A 65 -2.429 -13.837 -2.682 1.00 13.35 H new ATOM 0 HD23 LEU A 65 -1.456 -14.008 -4.162 1.00 13.35 H new ATOM 1083 N ASP A 66 -4.830 -18.220 -2.471 1.00 73.42 N ATOM 1084 CA ASP A 66 -6.065 -18.546 -1.729 1.00 71.04 C ATOM 1085 C ASP A 66 -7.005 -17.330 -1.711 1.00 41.33 C ATOM 1086 O ASP A 66 -6.536 -16.200 -1.722 1.00 65.14 O ATOM 1087 CB ASP A 66 -5.718 -18.924 -0.263 1.00 44.14 C ATOM 1088 CG ASP A 66 -4.654 -20.030 -0.146 1.00 73.22 C ATOM 1089 OD1 ASP A 66 -3.452 -19.715 -0.291 1.00 12.25 O ATOM 1090 OD2 ASP A 66 -5.011 -21.203 0.080 1.00 35.12 O ATOM 0 H ASP A 66 -4.022 -18.081 -1.864 1.00 73.42 H new ATOM 0 HA ASP A 66 -6.554 -19.385 -2.224 1.00 71.04 H new ATOM 0 HB2 ASP A 66 -5.364 -18.035 0.258 1.00 44.14 H new ATOM 0 HB3 ASP A 66 -6.626 -19.250 0.244 1.00 44.14 H new ATOM 1095 N ASP A 67 -8.323 -17.564 -1.629 1.00 40.41 N ATOM 1096 CA ASP A 67 -9.324 -16.480 -1.425 1.00 1.24 C ATOM 1097 C ASP A 67 -9.195 -15.868 -0.015 1.00 51.23 C ATOM 1098 O ASP A 67 -9.638 -14.738 0.235 1.00 62.35 O ATOM 1099 CB ASP A 67 -10.764 -16.992 -1.699 1.00 20.21 C ATOM 1100 CG ASP A 67 -11.094 -17.034 -3.203 1.00 50.44 C ATOM 1101 OD1 ASP A 67 -10.647 -17.974 -3.900 1.00 51.24 O ATOM 1102 OD2 ASP A 67 -11.799 -16.116 -3.694 1.00 5.34 O ATOM 0 H ASP A 67 -8.732 -18.495 -1.700 1.00 40.41 H new ATOM 0 HA ASP A 67 -9.118 -15.688 -2.145 1.00 1.24 H new ATOM 0 HB2 ASP A 67 -10.879 -17.990 -1.276 1.00 20.21 H new ATOM 0 HB3 ASP A 67 -11.480 -16.346 -1.190 1.00 20.21 H new ATOM 1107 N ASP A 68 -8.568 -16.639 0.887 1.00 12.20 N ATOM 1108 CA ASP A 68 -8.129 -16.164 2.205 1.00 13.41 C ATOM 1109 C ASP A 68 -7.004 -15.130 2.009 1.00 2.43 C ATOM 1110 O ASP A 68 -7.095 -14.008 2.503 1.00 73.21 O ATOM 1111 CB ASP A 68 -7.639 -17.360 3.073 1.00 23.44 C ATOM 1112 CG ASP A 68 -7.140 -16.933 4.470 1.00 12.21 C ATOM 1113 OD1 ASP A 68 -5.940 -16.616 4.621 1.00 43.11 O ATOM 1114 OD2 ASP A 68 -7.946 -16.912 5.428 1.00 55.32 O ATOM 0 H ASP A 68 -8.350 -17.621 0.718 1.00 12.20 H new ATOM 0 HA ASP A 68 -8.962 -15.694 2.727 1.00 13.41 H new ATOM 0 HB2 ASP A 68 -8.454 -18.075 3.188 1.00 23.44 H new ATOM 0 HB3 ASP A 68 -6.834 -17.875 2.549 1.00 23.44 H new ATOM 1119 N ALA A 69 -5.980 -15.524 1.216 1.00 22.32 N ATOM 1120 CA ALA A 69 -4.818 -14.668 0.885 1.00 32.10 C ATOM 1121 C ALA A 69 -5.244 -13.385 0.143 1.00 1.04 C ATOM 1122 O ALA A 69 -4.654 -12.314 0.340 1.00 62.22 O ATOM 1123 CB ALA A 69 -3.810 -15.457 0.039 1.00 71.20 C ATOM 0 H ALA A 69 -5.937 -16.448 0.787 1.00 22.32 H new ATOM 0 HA ALA A 69 -4.350 -14.366 1.822 1.00 32.10 H new ATOM 0 HB1 ALA A 69 -2.958 -14.820 -0.200 1.00 71.20 H new ATOM 0 HB2 ALA A 69 -3.467 -16.327 0.599 1.00 71.20 H new ATOM 0 HB3 ALA A 69 -4.288 -15.785 -0.884 1.00 71.20 H new ATOM 1129 N ARG A 70 -6.285 -13.529 -0.704 1.00 50.33 N ATOM 1130 CA ARG A 70 -6.921 -12.422 -1.445 1.00 43.22 C ATOM 1131 C ARG A 70 -7.512 -11.400 -0.462 1.00 33.23 C ATOM 1132 O ARG A 70 -7.323 -10.197 -0.624 1.00 34.41 O ATOM 1133 CB ARG A 70 -8.029 -13.009 -2.391 1.00 31.24 C ATOM 1134 CG ARG A 70 -8.964 -11.985 -3.121 1.00 3.42 C ATOM 1135 CD ARG A 70 -10.309 -11.744 -2.410 1.00 14.52 C ATOM 1136 NE ARG A 70 -11.146 -12.962 -2.353 1.00 54.25 N ATOM 1137 CZ ARG A 70 -12.130 -13.191 -1.465 1.00 0.11 C ATOM 1138 NH1 ARG A 70 -12.424 -12.303 -0.513 1.00 64.40 N ATOM 1139 NH2 ARG A 70 -12.833 -14.319 -1.538 1.00 32.14 N ATOM 0 H ARG A 70 -6.714 -14.435 -0.895 1.00 50.33 H new ATOM 0 HA ARG A 70 -6.178 -11.906 -2.053 1.00 43.22 H new ATOM 0 HB2 ARG A 70 -7.537 -13.618 -3.150 1.00 31.24 H new ATOM 0 HB3 ARG A 70 -8.656 -13.678 -1.802 1.00 31.24 H new ATOM 0 HG2 ARG A 70 -8.440 -11.034 -3.216 1.00 3.42 H new ATOM 0 HG3 ARG A 70 -9.159 -12.344 -4.132 1.00 3.42 H new ATOM 0 HD2 ARG A 70 -10.122 -11.388 -1.397 1.00 14.52 H new ATOM 0 HD3 ARG A 70 -10.855 -10.956 -2.929 1.00 14.52 H new ATOM 0 HE ARG A 70 -10.962 -13.689 -3.045 1.00 54.25 H new ATOM 0 HH11 ARG A 70 -11.899 -11.431 -0.449 1.00 64.40 H new ATOM 0 HH12 ARG A 70 -13.174 -12.496 0.151 1.00 64.40 H new ATOM 0 HH21 ARG A 70 -12.624 -15.004 -2.264 1.00 32.14 H new ATOM 0 HH22 ARG A 70 -13.580 -14.498 -0.867 1.00 32.14 H new ATOM 1153 N LYS A 71 -8.203 -11.925 0.569 1.00 32.42 N ATOM 1154 CA LYS A 71 -8.933 -11.127 1.572 1.00 24.34 C ATOM 1155 C LYS A 71 -7.979 -10.391 2.541 1.00 12.14 C ATOM 1156 O LYS A 71 -8.229 -9.235 2.918 1.00 31.42 O ATOM 1157 CB LYS A 71 -9.903 -12.059 2.353 1.00 2.32 C ATOM 1158 CG LYS A 71 -10.779 -11.361 3.415 1.00 52.11 C ATOM 1159 CD LYS A 71 -11.711 -10.288 2.808 1.00 33.12 C ATOM 1160 CE LYS A 71 -12.555 -9.578 3.872 1.00 41.35 C ATOM 1161 NZ LYS A 71 -13.444 -10.512 4.613 1.00 2.44 N ATOM 0 H LYS A 71 -8.270 -12.930 0.730 1.00 32.42 H new ATOM 0 HA LYS A 71 -9.500 -10.356 1.051 1.00 24.34 H new ATOM 0 HB2 LYS A 71 -10.557 -12.557 1.637 1.00 2.32 H new ATOM 0 HB3 LYS A 71 -9.317 -12.836 2.843 1.00 2.32 H new ATOM 0 HG2 LYS A 71 -11.381 -12.108 3.932 1.00 52.11 H new ATOM 0 HG3 LYS A 71 -10.136 -10.897 4.163 1.00 52.11 H new ATOM 0 HD2 LYS A 71 -11.112 -9.552 2.272 1.00 33.12 H new ATOM 0 HD3 LYS A 71 -12.371 -10.755 2.077 1.00 33.12 H new ATOM 0 HE2 LYS A 71 -11.895 -9.074 4.578 1.00 41.35 H new ATOM 0 HE3 LYS A 71 -13.160 -8.807 3.395 1.00 41.35 H new ATOM 0 HZ1 LYS A 71 -14.088 -9.968 5.223 1.00 2.44 H new ATOM 0 HZ2 LYS A 71 -13.999 -11.073 3.936 1.00 2.44 H new ATOM 0 HZ3 LYS A 71 -12.867 -11.149 5.199 1.00 2.44 H new ATOM 1175 N LYS A 72 -6.886 -11.069 2.933 1.00 70.43 N ATOM 1176 CA LYS A 72 -5.898 -10.514 3.881 1.00 11.44 C ATOM 1177 C LYS A 72 -5.095 -9.384 3.213 1.00 11.21 C ATOM 1178 O LYS A 72 -4.819 -8.359 3.839 1.00 65.30 O ATOM 1179 CB LYS A 72 -4.933 -11.623 4.371 1.00 71.52 C ATOM 1180 CG LYS A 72 -5.606 -12.840 5.037 1.00 41.44 C ATOM 1181 CD LYS A 72 -6.313 -12.500 6.367 1.00 32.23 C ATOM 1182 CE LYS A 72 -7.156 -13.672 6.897 1.00 62.24 C ATOM 1183 NZ LYS A 72 -6.378 -14.935 7.015 1.00 32.41 N ATOM 0 H LYS A 72 -6.662 -12.009 2.606 1.00 70.43 H new ATOM 0 HA LYS A 72 -6.436 -10.111 4.739 1.00 11.44 H new ATOM 0 HB2 LYS A 72 -4.348 -11.973 3.521 1.00 71.52 H new ATOM 0 HB3 LYS A 72 -4.232 -11.183 5.081 1.00 71.52 H new ATOM 0 HG2 LYS A 72 -6.334 -13.266 4.346 1.00 41.44 H new ATOM 0 HG3 LYS A 72 -4.853 -13.607 5.220 1.00 41.44 H new ATOM 0 HD2 LYS A 72 -5.567 -12.226 7.113 1.00 32.23 H new ATOM 0 HD3 LYS A 72 -6.954 -11.630 6.223 1.00 32.23 H new ATOM 0 HE2 LYS A 72 -7.563 -13.409 7.873 1.00 62.24 H new ATOM 0 HE3 LYS A 72 -8.004 -13.834 6.232 1.00 62.24 H new ATOM 0 HZ1 LYS A 72 -6.970 -15.668 7.455 1.00 32.41 H new ATOM 0 HZ2 LYS A 72 -6.083 -15.250 6.069 1.00 32.41 H new ATOM 0 HZ3 LYS A 72 -5.536 -14.771 7.603 1.00 32.41 H new ATOM 1197 N ALA A 73 -4.734 -9.600 1.929 1.00 64.53 N ATOM 1198 CA ALA A 73 -4.024 -8.605 1.099 1.00 3.02 C ATOM 1199 C ALA A 73 -4.963 -7.447 0.694 1.00 12.12 C ATOM 1200 O ALA A 73 -4.506 -6.315 0.488 1.00 61.23 O ATOM 1201 CB ALA A 73 -3.430 -9.285 -0.139 1.00 63.22 C ATOM 0 H ALA A 73 -4.928 -10.473 1.438 1.00 64.53 H new ATOM 0 HA ALA A 73 -3.212 -8.179 1.688 1.00 3.02 H new ATOM 0 HB1 ALA A 73 -2.908 -8.545 -0.746 1.00 63.22 H new ATOM 0 HB2 ALA A 73 -2.728 -10.059 0.172 1.00 63.22 H new ATOM 0 HB3 ALA A 73 -4.230 -9.736 -0.726 1.00 63.22 H new ATOM 1207 N LYS A 74 -6.275 -7.759 0.575 1.00 13.00 N ATOM 1208 CA LYS A 74 -7.334 -6.760 0.314 1.00 62.04 C ATOM 1209 C LYS A 74 -7.391 -5.759 1.467 1.00 72.33 C ATOM 1210 O LYS A 74 -7.410 -4.541 1.246 1.00 60.52 O ATOM 1211 CB LYS A 74 -8.712 -7.464 0.075 1.00 73.00 C ATOM 1212 CG LYS A 74 -9.927 -6.547 -0.280 1.00 1.54 C ATOM 1213 CD LYS A 74 -10.735 -6.069 0.950 1.00 5.31 C ATOM 1214 CE LYS A 74 -11.934 -5.185 0.579 1.00 34.10 C ATOM 1215 NZ LYS A 74 -12.676 -4.723 1.786 1.00 1.43 N ATOM 0 H LYS A 74 -6.628 -8.712 0.658 1.00 13.00 H new ATOM 0 HA LYS A 74 -7.098 -6.210 -0.597 1.00 62.04 H new ATOM 0 HB2 LYS A 74 -8.587 -8.187 -0.731 1.00 73.00 H new ATOM 0 HB3 LYS A 74 -8.964 -8.028 0.973 1.00 73.00 H new ATOM 0 HG2 LYS A 74 -9.564 -5.675 -0.825 1.00 1.54 H new ATOM 0 HG3 LYS A 74 -10.593 -7.088 -0.952 1.00 1.54 H new ATOM 0 HD2 LYS A 74 -11.090 -6.938 1.504 1.00 5.31 H new ATOM 0 HD3 LYS A 74 -10.075 -5.514 1.617 1.00 5.31 H new ATOM 0 HE2 LYS A 74 -11.587 -4.321 0.013 1.00 34.10 H new ATOM 0 HE3 LYS A 74 -12.609 -5.742 -0.071 1.00 34.10 H new ATOM 0 HZ1 LYS A 74 -13.478 -4.129 1.494 1.00 1.43 H new ATOM 0 HZ2 LYS A 74 -13.029 -5.547 2.313 1.00 1.43 H new ATOM 0 HZ3 LYS A 74 -12.039 -4.170 2.394 1.00 1.43 H new ATOM 1229 N LYS A 75 -7.375 -6.296 2.700 1.00 53.13 N ATOM 1230 CA LYS A 75 -7.343 -5.481 3.914 1.00 3.41 C ATOM 1231 C LYS A 75 -5.980 -4.781 4.060 1.00 52.21 C ATOM 1232 O LYS A 75 -5.936 -3.627 4.463 1.00 60.51 O ATOM 1233 CB LYS A 75 -7.645 -6.335 5.175 1.00 30.21 C ATOM 1234 CG LYS A 75 -7.570 -5.530 6.500 1.00 31.24 C ATOM 1235 CD LYS A 75 -7.872 -6.363 7.759 1.00 74.41 C ATOM 1236 CE LYS A 75 -9.312 -6.876 7.820 1.00 53.31 C ATOM 1237 NZ LYS A 75 -9.580 -7.607 9.096 1.00 72.45 N ATOM 0 H LYS A 75 -7.384 -7.301 2.876 1.00 53.13 H new ATOM 0 HA LYS A 75 -8.121 -4.723 3.825 1.00 3.41 H new ATOM 0 HB2 LYS A 75 -8.640 -6.771 5.080 1.00 30.21 H new ATOM 0 HB3 LYS A 75 -6.938 -7.163 5.221 1.00 30.21 H new ATOM 0 HG2 LYS A 75 -6.574 -5.097 6.594 1.00 31.24 H new ATOM 0 HG3 LYS A 75 -8.275 -4.700 6.449 1.00 31.24 H new ATOM 0 HD2 LYS A 75 -7.190 -7.213 7.795 1.00 74.41 H new ATOM 0 HD3 LYS A 75 -7.673 -5.757 8.643 1.00 74.41 H new ATOM 0 HE2 LYS A 75 -10.002 -6.037 7.728 1.00 53.31 H new ATOM 0 HE3 LYS A 75 -9.500 -7.537 6.974 1.00 53.31 H new ATOM 0 HZ1 LYS A 75 -10.565 -7.941 9.104 1.00 72.45 H new ATOM 0 HZ2 LYS A 75 -8.937 -8.421 9.171 1.00 72.45 H new ATOM 0 HZ3 LYS A 75 -9.424 -6.968 9.902 1.00 72.45 H new ATOM 1251 N TRP A 76 -4.882 -5.486 3.694 1.00 22.12 N ATOM 1252 CA TRP A 76 -3.499 -4.973 3.843 1.00 61.32 C ATOM 1253 C TRP A 76 -3.294 -3.666 3.061 1.00 43.35 C ATOM 1254 O TRP A 76 -2.739 -2.701 3.589 1.00 32.12 O ATOM 1255 CB TRP A 76 -2.455 -6.029 3.380 1.00 40.04 C ATOM 1256 CG TRP A 76 -1.015 -5.549 3.493 1.00 42.01 C ATOM 1257 CD1 TRP A 76 -0.230 -5.566 4.610 1.00 51.34 C ATOM 1258 CD2 TRP A 76 -0.215 -4.938 2.456 1.00 73.43 C ATOM 1259 NE1 TRP A 76 0.995 -5.014 4.332 1.00 53.11 N ATOM 1260 CE2 TRP A 76 1.028 -4.620 3.027 1.00 61.21 C ATOM 1261 CE3 TRP A 76 -0.438 -4.625 1.106 1.00 62.24 C ATOM 1262 CZ2 TRP A 76 2.047 -4.012 2.304 1.00 35.02 C ATOM 1263 CZ3 TRP A 76 0.577 -4.023 0.383 1.00 23.32 C ATOM 1264 CH2 TRP A 76 1.804 -3.715 0.985 1.00 40.24 C ATOM 0 H TRP A 76 -4.930 -6.421 3.289 1.00 22.12 H new ATOM 0 HA TRP A 76 -3.349 -4.769 4.903 1.00 61.32 H new ATOM 0 HB2 TRP A 76 -2.576 -6.934 3.976 1.00 40.04 H new ATOM 0 HB3 TRP A 76 -2.659 -6.300 2.344 1.00 40.04 H new ATOM 0 HD1 TRP A 76 -0.529 -5.957 5.571 1.00 51.34 H new ATOM 0 HE1 TRP A 76 1.761 -4.914 4.998 1.00 53.11 H new ATOM 0 HE3 TRP A 76 -1.386 -4.850 0.639 1.00 62.24 H new ATOM 0 HZ2 TRP A 76 2.997 -3.781 2.763 1.00 35.02 H new ATOM 0 HZ3 TRP A 76 0.421 -3.787 -0.659 1.00 23.32 H new ATOM 0 HH2 TRP A 76 2.574 -3.234 0.400 1.00 40.24 H new ATOM 1275 N ALA A 77 -3.732 -3.665 1.795 1.00 11.34 N ATOM 1276 CA ALA A 77 -3.656 -2.490 0.917 1.00 61.22 C ATOM 1277 C ALA A 77 -4.456 -1.300 1.491 1.00 25.02 C ATOM 1278 O ALA A 77 -4.099 -0.138 1.272 1.00 44.14 O ATOM 1279 CB ALA A 77 -4.147 -2.870 -0.479 1.00 0.34 C ATOM 0 H ALA A 77 -4.150 -4.482 1.350 1.00 11.34 H new ATOM 0 HA ALA A 77 -2.617 -2.166 0.852 1.00 61.22 H new ATOM 0 HB1 ALA A 77 -4.092 -2.000 -1.133 1.00 0.34 H new ATOM 0 HB2 ALA A 77 -3.521 -3.666 -0.881 1.00 0.34 H new ATOM 0 HB3 ALA A 77 -5.179 -3.215 -0.420 1.00 0.34 H new ATOM 1285 N LEU A 78 -5.536 -1.629 2.231 1.00 41.02 N ATOM 1286 CA LEU A 78 -6.357 -0.651 2.968 1.00 3.24 C ATOM 1287 C LEU A 78 -5.651 -0.187 4.262 1.00 2.01 C ATOM 1288 O LEU A 78 -5.791 0.963 4.647 1.00 30.15 O ATOM 1289 CB LEU A 78 -7.750 -1.256 3.310 1.00 23.40 C ATOM 1290 CG LEU A 78 -8.680 -1.605 2.103 1.00 25.23 C ATOM 1291 CD1 LEU A 78 -9.954 -2.349 2.574 1.00 73.33 C ATOM 1292 CD2 LEU A 78 -9.039 -0.337 1.300 1.00 62.22 C ATOM 0 H LEU A 78 -5.863 -2.590 2.333 1.00 41.02 H new ATOM 0 HA LEU A 78 -6.494 0.218 2.324 1.00 3.24 H new ATOM 0 HB2 LEU A 78 -7.593 -2.164 3.892 1.00 23.40 H new ATOM 0 HB3 LEU A 78 -8.278 -0.552 3.954 1.00 23.40 H new ATOM 0 HG LEU A 78 -8.132 -2.277 1.442 1.00 25.23 H new ATOM 0 HD11 LEU A 78 -10.581 -2.578 1.712 1.00 73.33 H new ATOM 0 HD12 LEU A 78 -9.671 -3.276 3.073 1.00 73.33 H new ATOM 0 HD13 LEU A 78 -10.508 -1.718 3.268 1.00 73.33 H new ATOM 0 HD21 LEU A 78 -9.687 -0.606 0.466 1.00 62.22 H new ATOM 0 HD22 LEU A 78 -9.557 0.370 1.948 1.00 62.22 H new ATOM 0 HD23 LEU A 78 -8.127 0.122 0.918 1.00 62.22 H new ATOM 1304 N GLU A 79 -4.890 -1.090 4.917 1.00 20.34 N ATOM 1305 CA GLU A 79 -4.148 -0.763 6.158 1.00 24.01 C ATOM 1306 C GLU A 79 -3.062 0.284 5.859 1.00 73.41 C ATOM 1307 O GLU A 79 -2.924 1.275 6.582 1.00 32.01 O ATOM 1308 CB GLU A 79 -3.508 -2.036 6.795 1.00 22.12 C ATOM 1309 CG GLU A 79 -4.496 -3.146 7.220 1.00 63.15 C ATOM 1310 CD GLU A 79 -5.490 -2.720 8.321 1.00 64.05 C ATOM 1311 OE1 GLU A 79 -6.548 -2.140 7.992 1.00 61.20 O ATOM 1312 OE2 GLU A 79 -5.226 -2.995 9.515 1.00 22.00 O ATOM 0 H GLU A 79 -4.772 -2.055 4.607 1.00 20.34 H new ATOM 0 HA GLU A 79 -4.858 -0.353 6.877 1.00 24.01 H new ATOM 0 HB2 GLU A 79 -2.801 -2.459 6.082 1.00 22.12 H new ATOM 0 HB3 GLU A 79 -2.935 -1.732 7.671 1.00 22.12 H new ATOM 0 HG2 GLU A 79 -5.058 -3.471 6.345 1.00 63.15 H new ATOM 0 HG3 GLU A 79 -3.928 -4.007 7.572 1.00 63.15 H new ATOM 1319 N VAL A 80 -2.314 0.037 4.769 1.00 22.14 N ATOM 1320 CA VAL A 80 -1.293 0.955 4.238 1.00 51.15 C ATOM 1321 C VAL A 80 -1.943 2.304 3.862 1.00 31.44 C ATOM 1322 O VAL A 80 -1.445 3.370 4.232 1.00 52.44 O ATOM 1323 CB VAL A 80 -0.592 0.303 2.984 1.00 53.35 C ATOM 1324 CG1 VAL A 80 0.417 1.250 2.310 1.00 71.42 C ATOM 1325 CG2 VAL A 80 0.092 -1.032 3.360 1.00 74.35 C ATOM 0 H VAL A 80 -2.404 -0.820 4.224 1.00 22.14 H new ATOM 0 HA VAL A 80 -0.538 1.139 5.002 1.00 51.15 H new ATOM 0 HB VAL A 80 -1.381 0.103 2.259 1.00 53.35 H new ATOM 0 HG11 VAL A 80 0.869 0.750 1.453 1.00 71.42 H new ATOM 0 HG12 VAL A 80 -0.097 2.151 1.975 1.00 71.42 H new ATOM 0 HG13 VAL A 80 1.195 1.521 3.024 1.00 71.42 H new ATOM 0 HG21 VAL A 80 0.567 -1.459 2.477 1.00 74.35 H new ATOM 0 HG22 VAL A 80 0.846 -0.851 4.126 1.00 74.35 H new ATOM 0 HG23 VAL A 80 -0.654 -1.728 3.743 1.00 74.35 H new ATOM 1335 N ALA A 81 -3.102 2.208 3.188 1.00 62.14 N ATOM 1336 CA ALA A 81 -3.873 3.365 2.719 1.00 14.22 C ATOM 1337 C ALA A 81 -4.348 4.262 3.875 1.00 31.21 C ATOM 1338 O ALA A 81 -4.154 5.476 3.849 1.00 31.33 O ATOM 1339 CB ALA A 81 -5.079 2.878 1.919 1.00 51.43 C ATOM 0 H ALA A 81 -3.532 1.313 2.953 1.00 62.14 H new ATOM 0 HA ALA A 81 -3.216 3.967 2.091 1.00 14.22 H new ATOM 0 HB1 ALA A 81 -5.654 3.735 1.569 1.00 51.43 H new ATOM 0 HB2 ALA A 81 -4.737 2.297 1.063 1.00 51.43 H new ATOM 0 HB3 ALA A 81 -5.708 2.254 2.553 1.00 51.43 H new ATOM 1345 N ASN A 82 -4.944 3.627 4.897 1.00 53.13 N ATOM 1346 CA ASN A 82 -5.590 4.320 6.029 1.00 0.34 C ATOM 1347 C ASN A 82 -4.545 4.864 7.010 1.00 4.12 C ATOM 1348 O ASN A 82 -4.802 5.866 7.668 1.00 13.22 O ATOM 1349 CB ASN A 82 -6.598 3.376 6.766 1.00 64.35 C ATOM 1350 CG ASN A 82 -7.997 3.341 6.126 1.00 31.41 C ATOM 1351 OD1 ASN A 82 -8.866 4.145 6.465 1.00 43.31 O ATOM 1352 ND2 ASN A 82 -8.240 2.401 5.227 1.00 3.33 N ATOM 0 H ASN A 82 -4.993 2.610 4.964 1.00 53.13 H new ATOM 0 HA ASN A 82 -6.149 5.164 5.625 1.00 0.34 H new ATOM 0 HB2 ASN A 82 -6.190 2.365 6.781 1.00 64.35 H new ATOM 0 HB3 ASN A 82 -6.691 3.698 7.803 1.00 64.35 H new ATOM 0 HD21 ASN A 82 -9.163 2.331 4.799 1.00 3.33 H new ATOM 0 HD22 ASN A 82 -7.504 1.746 4.962 1.00 3.33 H new ATOM 1359 N LYS A 83 -3.379 4.188 7.105 1.00 43.21 N ATOM 1360 CA LYS A 83 -2.256 4.640 7.958 1.00 3.33 C ATOM 1361 C LYS A 83 -1.764 6.005 7.452 1.00 71.21 C ATOM 1362 O LYS A 83 -1.685 6.973 8.215 1.00 64.44 O ATOM 1363 CB LYS A 83 -1.095 3.575 7.964 1.00 11.35 C ATOM 1364 CG LYS A 83 0.042 3.768 9.022 1.00 43.10 C ATOM 1365 CD LYS A 83 1.062 4.883 8.672 1.00 15.54 C ATOM 1366 CE LYS A 83 2.270 4.916 9.618 1.00 15.23 C ATOM 1367 NZ LYS A 83 1.898 5.206 11.028 1.00 42.12 N ATOM 0 H LYS A 83 -3.190 3.323 6.599 1.00 43.21 H new ATOM 0 HA LYS A 83 -2.597 4.746 8.988 1.00 3.33 H new ATOM 0 HB2 LYS A 83 -1.539 2.592 8.119 1.00 11.35 H new ATOM 0 HB3 LYS A 83 -0.639 3.566 6.974 1.00 11.35 H new ATOM 0 HG2 LYS A 83 -0.411 3.997 9.986 1.00 43.10 H new ATOM 0 HG3 LYS A 83 0.578 2.826 9.137 1.00 43.10 H new ATOM 0 HD2 LYS A 83 1.413 4.738 7.650 1.00 15.54 H new ATOM 0 HD3 LYS A 83 0.559 5.849 8.702 1.00 15.54 H new ATOM 0 HE2 LYS A 83 2.785 3.956 9.574 1.00 15.23 H new ATOM 0 HE3 LYS A 83 2.975 5.672 9.272 1.00 15.23 H new ATOM 0 HZ1 LYS A 83 2.726 5.066 11.641 1.00 42.12 H new ATOM 0 HZ2 LYS A 83 1.572 6.191 11.106 1.00 42.12 H new ATOM 0 HZ3 LYS A 83 1.135 4.565 11.325 1.00 42.12 H new ATOM 1381 N ILE A 84 -1.484 6.058 6.141 1.00 63.23 N ATOM 1382 CA ILE A 84 -0.904 7.233 5.479 1.00 4.20 C ATOM 1383 C ILE A 84 -1.967 8.352 5.332 1.00 32.30 C ATOM 1384 O ILE A 84 -1.660 9.525 5.533 1.00 72.24 O ATOM 1385 CB ILE A 84 -0.283 6.836 4.083 1.00 42.10 C ATOM 1386 CG1 ILE A 84 0.800 5.710 4.242 1.00 43.00 C ATOM 1387 CG2 ILE A 84 0.331 8.063 3.387 1.00 31.01 C ATOM 1388 CD1 ILE A 84 1.263 5.084 2.932 1.00 64.51 C ATOM 0 H ILE A 84 -1.656 5.278 5.506 1.00 63.23 H new ATOM 0 HA ILE A 84 -0.096 7.621 6.100 1.00 4.20 H new ATOM 0 HB ILE A 84 -1.092 6.450 3.463 1.00 42.10 H new ATOM 0 HG12 ILE A 84 1.666 6.127 4.756 1.00 43.00 H new ATOM 0 HG13 ILE A 84 0.397 4.925 4.882 1.00 43.00 H new ATOM 0 HG21 ILE A 84 0.752 7.764 2.427 1.00 31.01 H new ATOM 0 HG22 ILE A 84 -0.442 8.814 3.226 1.00 31.01 H new ATOM 0 HG23 ILE A 84 1.118 8.481 4.014 1.00 31.01 H new ATOM 0 HD11 ILE A 84 2.010 4.318 3.139 1.00 64.51 H new ATOM 0 HD12 ILE A 84 0.411 4.633 2.423 1.00 64.51 H new ATOM 0 HD13 ILE A 84 1.700 5.854 2.295 1.00 64.51 H new ATOM 1400 N ALA A 85 -3.231 7.971 5.039 1.00 32.50 N ATOM 1401 CA ALA A 85 -4.358 8.932 4.953 1.00 31.55 C ATOM 1402 C ALA A 85 -4.647 9.577 6.326 1.00 12.21 C ATOM 1403 O ALA A 85 -5.082 10.729 6.400 1.00 24.44 O ATOM 1404 CB ALA A 85 -5.621 8.251 4.397 1.00 41.11 C ATOM 0 H ALA A 85 -3.498 7.003 4.858 1.00 32.50 H new ATOM 0 HA ALA A 85 -4.066 9.724 4.263 1.00 31.55 H new ATOM 0 HB1 ALA A 85 -6.432 8.977 4.344 1.00 41.11 H new ATOM 0 HB2 ALA A 85 -5.416 7.863 3.399 1.00 41.11 H new ATOM 0 HB3 ALA A 85 -5.911 7.430 5.053 1.00 41.11 H new ATOM 1410 N ASN A 86 -4.397 8.814 7.406 1.00 40.31 N ATOM 1411 CA ASN A 86 -4.547 9.296 8.805 1.00 54.41 C ATOM 1412 C ASN A 86 -3.366 10.209 9.174 1.00 51.44 C ATOM 1413 O ASN A 86 -3.521 11.209 9.883 1.00 40.42 O ATOM 1414 CB ASN A 86 -4.597 8.090 9.791 1.00 55.33 C ATOM 1415 CG ASN A 86 -5.093 8.441 11.206 1.00 44.42 C ATOM 1416 OD1 ASN A 86 -5.913 9.345 11.393 1.00 43.34 O ATOM 1417 ND2 ASN A 86 -4.618 7.723 12.212 1.00 30.10 N ATOM 0 H ASN A 86 -4.085 7.845 7.341 1.00 40.31 H new ATOM 0 HA ASN A 86 -5.478 9.857 8.881 1.00 54.41 H new ATOM 0 HB2 ASN A 86 -5.247 7.322 9.372 1.00 55.33 H new ATOM 0 HB3 ASN A 86 -3.599 7.657 9.866 1.00 55.33 H new ATOM 0 HD21 ASN A 86 -4.929 7.912 13.165 1.00 30.10 H new ATOM 0 HD22 ASN A 86 -3.941 6.981 12.034 1.00 30.10 H new ATOM 1424 N GLU A 87 -2.189 9.834 8.660 1.00 2.31 N ATOM 1425 CA GLU A 87 -0.912 10.475 8.978 1.00 33.11 C ATOM 1426 C GLU A 87 -0.830 11.872 8.333 1.00 42.13 C ATOM 1427 O GLU A 87 -0.313 12.818 8.930 1.00 71.31 O ATOM 1428 CB GLU A 87 0.252 9.561 8.481 1.00 50.41 C ATOM 1429 CG GLU A 87 1.573 9.718 9.249 1.00 70.32 C ATOM 1430 CD GLU A 87 1.461 9.293 10.727 1.00 44.22 C ATOM 1431 OE1 GLU A 87 1.393 8.073 10.992 1.00 53.02 O ATOM 1432 OE2 GLU A 87 1.425 10.171 11.620 1.00 71.45 O ATOM 0 H GLU A 87 -2.098 9.062 7.999 1.00 2.31 H new ATOM 0 HA GLU A 87 -0.829 10.607 10.057 1.00 33.11 H new ATOM 0 HB2 GLU A 87 -0.068 8.521 8.548 1.00 50.41 H new ATOM 0 HB3 GLU A 87 0.434 9.771 7.427 1.00 50.41 H new ATOM 0 HG2 GLU A 87 2.344 9.121 8.762 1.00 70.32 H new ATOM 0 HG3 GLU A 87 1.896 10.758 9.198 1.00 70.32 H new ATOM 1439 N LEU A 88 -1.362 11.974 7.099 1.00 33.04 N ATOM 1440 CA LEU A 88 -1.342 13.222 6.303 1.00 44.42 C ATOM 1441 C LEU A 88 -2.615 14.060 6.513 1.00 14.11 C ATOM 1442 O LEU A 88 -2.596 15.282 6.327 1.00 55.43 O ATOM 1443 CB LEU A 88 -1.203 12.891 4.796 1.00 42.04 C ATOM 1444 CG LEU A 88 -0.015 11.987 4.365 1.00 74.15 C ATOM 1445 CD1 LEU A 88 0.076 11.933 2.827 1.00 75.24 C ATOM 1446 CD2 LEU A 88 1.313 12.432 5.015 1.00 0.02 C ATOM 0 H LEU A 88 -1.818 11.195 6.624 1.00 33.04 H new ATOM 0 HA LEU A 88 -0.486 13.805 6.643 1.00 44.42 H new ATOM 0 HB2 LEU A 88 -2.126 12.411 4.471 1.00 42.04 H new ATOM 0 HB3 LEU A 88 -1.124 13.832 4.251 1.00 42.04 H new ATOM 0 HG LEU A 88 -0.202 10.976 4.727 1.00 74.15 H new ATOM 0 HD11 LEU A 88 0.911 11.297 2.534 1.00 75.24 H new ATOM 0 HD12 LEU A 88 -0.850 11.525 2.422 1.00 75.24 H new ATOM 0 HD13 LEU A 88 0.231 12.939 2.436 1.00 75.24 H new ATOM 0 HD21 LEU A 88 2.117 11.773 4.687 1.00 0.02 H new ATOM 0 HD22 LEU A 88 1.538 13.456 4.718 1.00 0.02 H new ATOM 0 HD23 LEU A 88 1.222 12.381 6.100 1.00 0.02 H new ATOM 1458 N GLY A 89 -3.713 13.392 6.898 1.00 70.53 N ATOM 1459 CA GLY A 89 -5.035 14.031 6.937 1.00 61.12 C ATOM 1460 C GLY A 89 -5.649 14.130 5.546 1.00 51.21 C ATOM 1461 O GLY A 89 -6.294 15.124 5.202 1.00 64.24 O ATOM 0 H GLY A 89 -3.711 12.413 7.186 1.00 70.53 H new ATOM 0 HA2 GLY A 89 -5.697 13.460 7.588 1.00 61.12 H new ATOM 0 HA3 GLY A 89 -4.946 15.028 7.368 1.00 61.12 H new ATOM 1465 N ALA A 90 -5.421 13.078 4.747 1.00 71.21 N ATOM 1466 CA ALA A 90 -5.944 12.943 3.381 1.00 72.03 C ATOM 1467 C ALA A 90 -7.304 12.198 3.396 1.00 62.34 C ATOM 1468 O ALA A 90 -7.921 12.048 4.464 1.00 74.12 O ATOM 1469 CB ALA A 90 -4.902 12.213 2.526 1.00 2.23 C ATOM 0 H ALA A 90 -4.856 12.281 5.039 1.00 71.21 H new ATOM 0 HA ALA A 90 -6.125 13.926 2.947 1.00 72.03 H new ATOM 0 HB1 ALA A 90 -5.277 12.106 1.508 1.00 2.23 H new ATOM 0 HB2 ALA A 90 -3.976 12.787 2.513 1.00 2.23 H new ATOM 0 HB3 ALA A 90 -4.711 11.226 2.948 1.00 2.23 H new ATOM 1475 N LYS A 91 -7.758 11.732 2.208 1.00 1.55 N ATOM 1476 CA LYS A 91 -9.056 11.052 2.039 1.00 63.44 C ATOM 1477 C LYS A 91 -8.940 9.531 2.350 1.00 62.31 C ATOM 1478 O LYS A 91 -8.933 9.143 3.523 1.00 51.22 O ATOM 1479 CB LYS A 91 -9.610 11.308 0.605 1.00 35.10 C ATOM 1480 CG LYS A 91 -9.845 12.789 0.243 1.00 75.22 C ATOM 1481 CD LYS A 91 -10.253 12.983 -1.236 1.00 54.55 C ATOM 1482 CE LYS A 91 -11.545 12.251 -1.635 1.00 61.10 C ATOM 1483 NZ LYS A 91 -12.723 12.733 -0.860 1.00 61.24 N ATOM 0 H LYS A 91 -7.230 11.819 1.340 1.00 1.55 H new ATOM 0 HA LYS A 91 -9.764 11.468 2.755 1.00 63.44 H new ATOM 0 HB2 LYS A 91 -8.914 10.881 -0.117 1.00 35.10 H new ATOM 0 HB3 LYS A 91 -10.552 10.771 0.496 1.00 35.10 H new ATOM 0 HG2 LYS A 91 -10.624 13.197 0.887 1.00 75.22 H new ATOM 0 HG3 LYS A 91 -8.936 13.356 0.443 1.00 75.22 H new ATOM 0 HD2 LYS A 91 -10.378 14.048 -1.430 1.00 54.55 H new ATOM 0 HD3 LYS A 91 -9.440 12.636 -1.874 1.00 54.55 H new ATOM 0 HE2 LYS A 91 -11.729 12.394 -2.700 1.00 61.10 H new ATOM 0 HE3 LYS A 91 -11.419 11.180 -1.475 1.00 61.10 H new ATOM 0 HZ1 LYS A 91 -13.572 12.213 -1.160 1.00 61.24 H new ATOM 0 HZ2 LYS A 91 -12.560 12.573 0.155 1.00 61.24 H new ATOM 0 HZ3 LYS A 91 -12.860 13.749 -1.033 1.00 61.24 H new ATOM 1497 N GLN A 92 -8.802 8.696 1.294 1.00 3.23 N ATOM 1498 CA GLN A 92 -8.848 7.211 1.368 1.00 74.13 C ATOM 1499 C GLN A 92 -8.148 6.622 0.121 1.00 50.22 C ATOM 1500 O GLN A 92 -7.386 7.315 -0.565 1.00 54.30 O ATOM 1501 CB GLN A 92 -10.336 6.684 1.453 1.00 63.43 C ATOM 1502 CG GLN A 92 -11.002 6.733 2.842 1.00 61.03 C ATOM 1503 CD GLN A 92 -10.296 5.849 3.880 1.00 23.13 C ATOM 1504 OE1 GLN A 92 -10.591 4.653 4.007 1.00 30.42 O ATOM 1505 NE2 GLN A 92 -9.378 6.418 4.636 1.00 0.11 N ATOM 0 H GLN A 92 -8.652 9.040 0.345 1.00 3.23 H new ATOM 0 HA GLN A 92 -8.332 6.891 2.273 1.00 74.13 H new ATOM 0 HB2 GLN A 92 -10.945 7.267 0.761 1.00 63.43 H new ATOM 0 HB3 GLN A 92 -10.354 5.652 1.102 1.00 63.43 H new ATOM 0 HG2 GLN A 92 -11.012 7.763 3.198 1.00 61.03 H new ATOM 0 HG3 GLN A 92 -12.041 6.417 2.751 1.00 61.03 H new ATOM 0 HE21 GLN A 92 -9.154 7.405 4.511 1.00 0.11 H new ATOM 0 HE22 GLN A 92 -8.892 5.871 5.346 1.00 0.11 H new ATOM 1514 N SER A 93 -8.407 5.328 -0.158 1.00 73.05 N ATOM 1515 CA SER A 93 -7.931 4.641 -1.359 1.00 12.03 C ATOM 1516 C SER A 93 -9.110 4.078 -2.157 1.00 74.12 C ATOM 1517 O SER A 93 -10.066 3.553 -1.571 1.00 33.43 O ATOM 1518 CB SER A 93 -6.997 3.492 -0.948 1.00 14.24 C ATOM 1519 OG SER A 93 -7.643 2.587 -0.053 1.00 65.43 O ATOM 0 H SER A 93 -8.960 4.731 0.457 1.00 73.05 H new ATOM 0 HA SER A 93 -7.393 5.353 -1.984 1.00 12.03 H new ATOM 0 HB2 SER A 93 -6.668 2.954 -1.837 1.00 14.24 H new ATOM 0 HB3 SER A 93 -6.104 3.899 -0.473 1.00 14.24 H new ATOM 0 HG SER A 93 -7.023 1.867 0.188 1.00 65.43 H new ATOM 1525 N THR A 94 -9.021 4.158 -3.489 1.00 50.02 N ATOM 1526 CA THR A 94 -9.989 3.530 -4.388 1.00 10.35 C ATOM 1527 C THR A 94 -9.468 2.129 -4.785 1.00 73.14 C ATOM 1528 O THR A 94 -8.308 1.965 -5.184 1.00 24.41 O ATOM 1529 CB THR A 94 -10.283 4.431 -5.644 1.00 64.51 C ATOM 1530 OG1 THR A 94 -11.242 3.790 -6.506 1.00 33.35 O ATOM 1531 CG2 THR A 94 -9.018 4.780 -6.454 1.00 63.51 C ATOM 0 H THR A 94 -8.276 4.660 -3.972 1.00 50.02 H new ATOM 0 HA THR A 94 -10.942 3.417 -3.871 1.00 10.35 H new ATOM 0 HB THR A 94 -10.687 5.367 -5.259 1.00 64.51 H new ATOM 0 HG1 THR A 94 -11.417 4.362 -7.282 1.00 33.35 H new ATOM 0 HG21 THR A 94 -9.292 5.403 -7.306 1.00 63.51 H new ATOM 0 HG22 THR A 94 -8.317 5.322 -5.819 1.00 63.51 H new ATOM 0 HG23 THR A 94 -8.550 3.863 -6.811 1.00 63.51 H new ATOM 1539 N THR A 95 -10.329 1.118 -4.615 1.00 71.34 N ATOM 1540 CA THR A 95 -9.973 -0.295 -4.810 1.00 50.31 C ATOM 1541 C THR A 95 -10.540 -0.818 -6.142 1.00 72.11 C ATOM 1542 O THR A 95 -11.717 -0.590 -6.454 1.00 53.42 O ATOM 1543 CB THR A 95 -10.527 -1.163 -3.623 1.00 74.44 C ATOM 1544 OG1 THR A 95 -11.937 -0.931 -3.451 1.00 53.41 O ATOM 1545 CG2 THR A 95 -9.810 -0.851 -2.298 1.00 13.33 C ATOM 0 H THR A 95 -11.300 1.258 -4.336 1.00 71.34 H new ATOM 0 HA THR A 95 -8.886 -0.373 -4.836 1.00 50.31 H new ATOM 0 HB THR A 95 -10.344 -2.206 -3.880 1.00 74.44 H new ATOM 0 HG1 THR A 95 -12.320 -0.606 -4.292 1.00 53.41 H new ATOM 0 HG21 THR A 95 -10.224 -1.473 -1.505 1.00 13.33 H new ATOM 0 HG22 THR A 95 -8.745 -1.058 -2.403 1.00 13.33 H new ATOM 0 HG23 THR A 95 -9.952 0.200 -2.046 1.00 13.33 H new ATOM 1553 N THR A 96 -9.691 -1.488 -6.926 1.00 34.24 N ATOM 1554 CA THR A 96 -10.092 -2.183 -8.156 1.00 50.30 C ATOM 1555 C THR A 96 -9.779 -3.674 -7.987 1.00 73.44 C ATOM 1556 O THR A 96 -8.607 -4.061 -7.875 1.00 62.01 O ATOM 1557 CB THR A 96 -9.339 -1.612 -9.404 1.00 60.13 C ATOM 1558 OG1 THR A 96 -9.509 -0.188 -9.446 1.00 53.10 O ATOM 1559 CG2 THR A 96 -9.829 -2.213 -10.735 1.00 24.52 C ATOM 0 H THR A 96 -8.694 -1.565 -6.724 1.00 34.24 H new ATOM 0 HA THR A 96 -11.159 -2.033 -8.324 1.00 50.30 H new ATOM 0 HB THR A 96 -8.289 -1.884 -9.294 1.00 60.13 H new ATOM 0 HG1 THR A 96 -9.038 0.175 -10.225 1.00 53.10 H new ATOM 0 HG21 THR A 96 -9.267 -1.776 -11.560 1.00 24.52 H new ATOM 0 HG22 THR A 96 -9.677 -3.292 -10.725 1.00 24.52 H new ATOM 0 HG23 THR A 96 -10.890 -1.997 -10.863 1.00 24.52 H new ATOM 1567 N THR A 97 -10.821 -4.499 -7.917 1.00 21.40 N ATOM 1568 CA THR A 97 -10.673 -5.949 -7.792 1.00 51.51 C ATOM 1569 C THR A 97 -10.925 -6.595 -9.166 1.00 21.42 C ATOM 1570 O THR A 97 -11.854 -6.212 -9.900 1.00 42.04 O ATOM 1571 CB THR A 97 -11.604 -6.542 -6.676 1.00 54.41 C ATOM 1572 OG1 THR A 97 -11.222 -7.894 -6.379 1.00 1.20 O ATOM 1573 CG2 THR A 97 -13.100 -6.498 -7.034 1.00 1.44 C ATOM 0 H THR A 97 -11.790 -4.183 -7.945 1.00 21.40 H new ATOM 0 HA THR A 97 -9.656 -6.179 -7.475 1.00 51.51 H new ATOM 0 HB THR A 97 -11.470 -5.906 -5.801 1.00 54.41 H new ATOM 0 HG1 THR A 97 -11.808 -8.254 -5.681 1.00 1.20 H new ATOM 0 HG21 THR A 97 -13.682 -6.924 -6.217 1.00 1.44 H new ATOM 0 HG22 THR A 97 -13.405 -5.464 -7.196 1.00 1.44 H new ATOM 0 HG23 THR A 97 -13.274 -7.075 -7.943 1.00 1.44 H new ATOM 1581 N ASP A 98 -10.064 -7.541 -9.527 1.00 75.24 N ATOM 1582 CA ASP A 98 -10.124 -8.235 -10.819 1.00 35.11 C ATOM 1583 C ASP A 98 -9.693 -9.681 -10.620 1.00 2.03 C ATOM 1584 O ASP A 98 -9.028 -9.990 -9.623 1.00 51.31 O ATOM 1585 CB ASP A 98 -9.219 -7.512 -11.861 1.00 43.54 C ATOM 1586 CG ASP A 98 -9.182 -8.196 -13.240 1.00 4.34 C ATOM 1587 OD1 ASP A 98 -10.241 -8.266 -13.907 1.00 3.01 O ATOM 1588 OD2 ASP A 98 -8.097 -8.651 -13.669 1.00 1.12 O ATOM 0 H ASP A 98 -9.298 -7.853 -8.931 1.00 75.24 H new ATOM 0 HA ASP A 98 -11.143 -8.220 -11.204 1.00 35.11 H new ATOM 0 HB2 ASP A 98 -9.571 -6.488 -11.984 1.00 43.54 H new ATOM 0 HB3 ASP A 98 -8.204 -7.455 -11.468 1.00 43.54 H new ATOM 1593 N GLY A 99 -10.082 -10.555 -11.568 1.00 40.05 N ATOM 1594 CA GLY A 99 -9.735 -11.974 -11.528 1.00 32.11 C ATOM 1595 C GLY A 99 -8.238 -12.248 -11.512 1.00 34.03 C ATOM 1596 O GLY A 99 -7.806 -13.288 -10.998 1.00 41.34 O ATOM 0 H GLY A 99 -10.644 -10.291 -12.377 1.00 40.05 H new ATOM 0 HA2 GLY A 99 -10.185 -12.422 -10.642 1.00 32.11 H new ATOM 0 HA3 GLY A 99 -10.175 -12.469 -12.394 1.00 32.11 H new ATOM 1600 N ASP A 100 -7.455 -11.305 -12.060 1.00 64.43 N ATOM 1601 CA ASP A 100 -5.992 -11.412 -12.127 1.00 73.03 C ATOM 1602 C ASP A 100 -5.332 -10.406 -11.164 1.00 74.12 C ATOM 1603 O ASP A 100 -4.740 -10.807 -10.157 1.00 23.35 O ATOM 1604 CB ASP A 100 -5.487 -11.196 -13.578 1.00 72.01 C ATOM 1605 CG ASP A 100 -3.969 -11.435 -13.709 1.00 35.53 C ATOM 1606 OD1 ASP A 100 -3.555 -12.604 -13.809 1.00 73.43 O ATOM 1607 OD2 ASP A 100 -3.186 -10.458 -13.703 1.00 3.23 O ATOM 0 H ASP A 100 -7.821 -10.446 -12.470 1.00 64.43 H new ATOM 0 HA ASP A 100 -5.710 -12.419 -11.819 1.00 73.03 H new ATOM 0 HB2 ASP A 100 -6.018 -11.870 -14.250 1.00 72.01 H new ATOM 0 HB3 ASP A 100 -5.722 -10.180 -13.895 1.00 72.01 H new ATOM 1612 N THR A 101 -5.460 -9.097 -11.472 1.00 2.52 N ATOM 1613 CA THR A 101 -4.720 -8.024 -10.765 1.00 2.02 C ATOM 1614 C THR A 101 -5.620 -7.294 -9.753 1.00 31.33 C ATOM 1615 O THR A 101 -6.658 -6.729 -10.107 1.00 14.21 O ATOM 1616 CB THR A 101 -4.129 -6.985 -11.782 1.00 12.44 C ATOM 1617 OG1 THR A 101 -3.300 -7.668 -12.743 1.00 35.13 O ATOM 1618 CG2 THR A 101 -3.295 -5.874 -11.094 1.00 44.24 C ATOM 0 H THR A 101 -6.074 -8.754 -12.211 1.00 2.52 H new ATOM 0 HA THR A 101 -3.902 -8.501 -10.225 1.00 2.02 H new ATOM 0 HB THR A 101 -4.976 -6.503 -12.271 1.00 12.44 H new ATOM 0 HG1 THR A 101 -3.509 -8.625 -12.734 1.00 35.13 H new ATOM 0 HG21 THR A 101 -2.913 -5.186 -11.848 1.00 44.24 H new ATOM 0 HG22 THR A 101 -3.925 -5.329 -10.391 1.00 44.24 H new ATOM 0 HG23 THR A 101 -2.460 -6.325 -10.558 1.00 44.24 H new ATOM 1626 N PHE A 102 -5.206 -7.323 -8.487 1.00 71.11 N ATOM 1627 CA PHE A 102 -5.805 -6.507 -7.428 1.00 62.15 C ATOM 1628 C PHE A 102 -4.989 -5.199 -7.294 1.00 31.00 C ATOM 1629 O PHE A 102 -3.833 -5.231 -6.865 1.00 42.23 O ATOM 1630 CB PHE A 102 -5.832 -7.308 -6.101 1.00 44.13 C ATOM 1631 CG PHE A 102 -6.553 -6.593 -4.975 1.00 41.33 C ATOM 1632 CD1 PHE A 102 -7.928 -6.362 -5.055 1.00 75.41 C ATOM 1633 CD2 PHE A 102 -5.863 -6.118 -3.861 1.00 72.14 C ATOM 1634 CE1 PHE A 102 -8.590 -5.697 -4.047 1.00 23.22 C ATOM 1635 CE2 PHE A 102 -6.527 -5.453 -2.859 1.00 1.54 C ATOM 1636 CZ PHE A 102 -7.889 -5.233 -2.955 1.00 60.53 C ATOM 0 H PHE A 102 -4.442 -7.916 -8.164 1.00 71.11 H new ATOM 0 HA PHE A 102 -6.835 -6.251 -7.674 1.00 62.15 H new ATOM 0 HB2 PHE A 102 -6.314 -8.270 -6.277 1.00 44.13 H new ATOM 0 HB3 PHE A 102 -4.808 -7.516 -5.791 1.00 44.13 H new ATOM 0 HD1 PHE A 102 -8.478 -6.709 -5.917 1.00 75.41 H new ATOM 0 HD2 PHE A 102 -4.797 -6.274 -3.785 1.00 72.14 H new ATOM 0 HE1 PHE A 102 -9.656 -5.539 -4.112 1.00 23.22 H new ATOM 0 HE2 PHE A 102 -5.984 -5.101 -1.994 1.00 1.54 H new ATOM 0 HZ PHE A 102 -8.404 -4.696 -2.172 1.00 60.53 H new ATOM 1646 N GLU A 103 -5.587 -4.058 -7.690 1.00 72.02 N ATOM 1647 CA GLU A 103 -4.900 -2.751 -7.732 1.00 44.35 C ATOM 1648 C GLU A 103 -5.667 -1.704 -6.891 1.00 25.43 C ATOM 1649 O GLU A 103 -6.819 -1.388 -7.182 1.00 53.34 O ATOM 1650 CB GLU A 103 -4.746 -2.274 -9.203 1.00 43.31 C ATOM 1651 CG GLU A 103 -3.962 -0.949 -9.366 1.00 60.51 C ATOM 1652 CD GLU A 103 -3.872 -0.457 -10.822 1.00 44.01 C ATOM 1653 OE1 GLU A 103 -3.144 -1.077 -11.626 1.00 73.04 O ATOM 1654 OE2 GLU A 103 -4.535 0.548 -11.170 1.00 4.14 O ATOM 0 H GLU A 103 -6.561 -4.016 -7.990 1.00 72.02 H new ATOM 0 HA GLU A 103 -3.906 -2.865 -7.300 1.00 44.35 H new ATOM 0 HB2 GLU A 103 -4.241 -3.053 -9.774 1.00 43.31 H new ATOM 0 HB3 GLU A 103 -5.738 -2.151 -9.638 1.00 43.31 H new ATOM 0 HG2 GLU A 103 -4.439 -0.178 -8.760 1.00 60.51 H new ATOM 0 HG3 GLU A 103 -2.954 -1.083 -8.974 1.00 60.51 H new ATOM 1661 N VAL A 104 -5.015 -1.200 -5.832 1.00 32.45 N ATOM 1662 CA VAL A 104 -5.570 -0.197 -4.904 1.00 31.35 C ATOM 1663 C VAL A 104 -4.769 1.108 -5.008 1.00 11.12 C ATOM 1664 O VAL A 104 -3.604 1.154 -4.615 1.00 4.12 O ATOM 1665 CB VAL A 104 -5.514 -0.739 -3.429 1.00 2.13 C ATOM 1666 CG1 VAL A 104 -5.988 0.304 -2.390 1.00 34.11 C ATOM 1667 CG2 VAL A 104 -6.326 -2.037 -3.309 1.00 63.31 C ATOM 0 H VAL A 104 -4.066 -1.484 -5.590 1.00 32.45 H new ATOM 0 HA VAL A 104 -6.609 -0.003 -5.172 1.00 31.35 H new ATOM 0 HB VAL A 104 -4.468 -0.948 -3.203 1.00 2.13 H new ATOM 0 HG11 VAL A 104 -5.928 -0.125 -1.390 1.00 34.11 H new ATOM 0 HG12 VAL A 104 -5.352 1.187 -2.445 1.00 34.11 H new ATOM 0 HG13 VAL A 104 -7.019 0.586 -2.602 1.00 34.11 H new ATOM 0 HG21 VAL A 104 -6.279 -2.402 -2.283 1.00 63.31 H new ATOM 0 HG22 VAL A 104 -7.364 -1.843 -3.578 1.00 63.31 H new ATOM 0 HG23 VAL A 104 -5.912 -2.789 -3.981 1.00 63.31 H new ATOM 1677 N GLU A 105 -5.389 2.159 -5.544 1.00 11.13 N ATOM 1678 CA GLU A 105 -4.752 3.477 -5.673 1.00 10.44 C ATOM 1679 C GLU A 105 -5.146 4.366 -4.480 1.00 14.35 C ATOM 1680 O GLU A 105 -6.333 4.618 -4.256 1.00 45.03 O ATOM 1681 CB GLU A 105 -5.149 4.143 -7.014 1.00 43.25 C ATOM 1682 CG GLU A 105 -4.717 3.345 -8.264 1.00 24.50 C ATOM 1683 CD GLU A 105 -5.007 4.085 -9.578 1.00 31.12 C ATOM 1684 OE1 GLU A 105 -4.369 5.117 -9.822 1.00 34.10 O ATOM 1685 OE2 GLU A 105 -5.886 3.654 -10.362 1.00 42.10 O ATOM 0 H GLU A 105 -6.344 2.125 -5.901 1.00 11.13 H new ATOM 0 HA GLU A 105 -3.669 3.350 -5.670 1.00 10.44 H new ATOM 0 HB2 GLU A 105 -6.231 4.275 -7.036 1.00 43.25 H new ATOM 0 HB3 GLU A 105 -4.705 5.138 -7.059 1.00 43.25 H new ATOM 0 HG2 GLU A 105 -3.650 3.132 -8.201 1.00 24.50 H new ATOM 0 HG3 GLU A 105 -5.234 2.385 -8.272 1.00 24.50 H new ATOM 1692 N VAL A 106 -4.139 4.848 -3.728 1.00 34.41 N ATOM 1693 CA VAL A 106 -4.350 5.628 -2.500 1.00 43.42 C ATOM 1694 C VAL A 106 -4.246 7.124 -2.836 1.00 13.41 C ATOM 1695 O VAL A 106 -3.151 7.634 -3.090 1.00 14.04 O ATOM 1696 CB VAL A 106 -3.291 5.247 -1.390 1.00 22.34 C ATOM 1697 CG1 VAL A 106 -3.651 5.889 -0.034 1.00 3.31 C ATOM 1698 CG2 VAL A 106 -3.132 3.713 -1.267 1.00 61.52 C ATOM 0 H VAL A 106 -3.155 4.706 -3.958 1.00 34.41 H new ATOM 0 HA VAL A 106 -5.340 5.401 -2.105 1.00 43.42 H new ATOM 0 HB VAL A 106 -2.326 5.650 -1.699 1.00 22.34 H new ATOM 0 HG11 VAL A 106 -2.905 5.610 0.710 1.00 3.31 H new ATOM 0 HG12 VAL A 106 -3.670 6.974 -0.139 1.00 3.31 H new ATOM 0 HG13 VAL A 106 -4.632 5.538 0.286 1.00 3.31 H new ATOM 0 HG21 VAL A 106 -2.397 3.484 -0.495 1.00 61.52 H new ATOM 0 HG22 VAL A 106 -4.090 3.268 -0.999 1.00 61.52 H new ATOM 0 HG23 VAL A 106 -2.797 3.304 -2.220 1.00 61.52 H new ATOM 1708 N ILE A 107 -5.394 7.820 -2.841 1.00 13.24 N ATOM 1709 CA ILE A 107 -5.482 9.214 -3.295 1.00 23.01 C ATOM 1710 C ILE A 107 -5.288 10.165 -2.108 1.00 32.42 C ATOM 1711 O ILE A 107 -6.191 10.348 -1.274 1.00 61.51 O ATOM 1712 CB ILE A 107 -6.853 9.495 -4.015 1.00 74.53 C ATOM 1713 CG1 ILE A 107 -7.112 8.448 -5.145 1.00 60.03 C ATOM 1714 CG2 ILE A 107 -6.912 10.938 -4.576 1.00 75.21 C ATOM 1715 CD1 ILE A 107 -6.061 8.408 -6.246 1.00 3.32 C ATOM 0 H ILE A 107 -6.285 7.432 -2.531 1.00 13.24 H new ATOM 0 HA ILE A 107 -4.688 9.388 -4.021 1.00 23.01 H new ATOM 0 HB ILE A 107 -7.644 9.397 -3.271 1.00 74.53 H new ATOM 0 HG12 ILE A 107 -7.179 7.458 -4.693 1.00 60.03 H new ATOM 0 HG13 ILE A 107 -8.081 8.658 -5.598 1.00 60.03 H new ATOM 0 HG21 ILE A 107 -7.872 11.099 -5.067 1.00 75.21 H new ATOM 0 HG22 ILE A 107 -6.798 11.651 -3.759 1.00 75.21 H new ATOM 0 HG23 ILE A 107 -6.107 11.081 -5.297 1.00 75.21 H new ATOM 0 HD11 ILE A 107 -6.332 7.650 -6.981 1.00 3.32 H new ATOM 0 HD12 ILE A 107 -6.007 9.382 -6.733 1.00 3.32 H new ATOM 0 HD13 ILE A 107 -5.091 8.164 -5.814 1.00 3.32 H new ATOM 1727 N LEU A 108 -4.083 10.734 -2.022 1.00 42.43 N ATOM 1728 CA LEU A 108 -3.714 11.657 -0.949 1.00 1.11 C ATOM 1729 C LEU A 108 -3.593 13.075 -1.520 1.00 0.30 C ATOM 1730 O LEU A 108 -2.562 13.435 -2.088 1.00 52.44 O ATOM 1731 CB LEU A 108 -2.366 11.194 -0.345 1.00 65.41 C ATOM 1732 CG LEU A 108 -2.286 9.689 0.062 1.00 11.42 C ATOM 1733 CD1 LEU A 108 -0.841 9.274 0.350 1.00 50.35 C ATOM 1734 CD2 LEU A 108 -3.196 9.372 1.264 1.00 55.54 C ATOM 0 H LEU A 108 -3.336 10.567 -2.696 1.00 42.43 H new ATOM 0 HA LEU A 108 -4.475 11.663 -0.168 1.00 1.11 H new ATOM 0 HB2 LEU A 108 -1.576 11.398 -1.068 1.00 65.41 H new ATOM 0 HB3 LEU A 108 -2.156 11.801 0.536 1.00 65.41 H new ATOM 0 HG LEU A 108 -2.648 9.106 -0.785 1.00 11.42 H new ATOM 0 HD11 LEU A 108 -0.814 8.221 0.631 1.00 50.35 H new ATOM 0 HD12 LEU A 108 -0.234 9.427 -0.542 1.00 50.35 H new ATOM 0 HD13 LEU A 108 -0.445 9.878 1.166 1.00 50.35 H new ATOM 0 HD21 LEU A 108 -3.111 8.315 1.516 1.00 55.54 H new ATOM 0 HD22 LEU A 108 -2.891 9.974 2.120 1.00 55.54 H new ATOM 0 HD23 LEU A 108 -4.230 9.602 1.008 1.00 55.54 H new ATOM 1746 N GLU A 109 -4.634 13.892 -1.354 1.00 42.20 N ATOM 1747 CA GLU A 109 -4.616 15.288 -1.826 1.00 33.23 C ATOM 1748 C GLU A 109 -4.373 16.219 -0.623 1.00 60.21 C ATOM 1749 O GLU A 109 -5.252 16.417 0.225 1.00 51.03 O ATOM 1750 CB GLU A 109 -5.915 15.648 -2.618 1.00 32.23 C ATOM 1751 CG GLU A 109 -7.244 15.381 -1.882 1.00 35.35 C ATOM 1752 CD GLU A 109 -8.450 16.036 -2.576 1.00 73.23 C ATOM 1753 OE1 GLU A 109 -8.676 17.244 -2.354 1.00 14.34 O ATOM 1754 OE2 GLU A 109 -9.160 15.360 -3.352 1.00 32.44 O ATOM 0 H GLU A 109 -5.503 13.616 -0.897 1.00 42.20 H new ATOM 0 HA GLU A 109 -3.799 15.422 -2.535 1.00 33.23 H new ATOM 0 HB2 GLU A 109 -5.875 16.704 -2.885 1.00 32.23 H new ATOM 0 HB3 GLU A 109 -5.918 15.084 -3.551 1.00 32.23 H new ATOM 0 HG2 GLU A 109 -7.408 14.305 -1.816 1.00 35.35 H new ATOM 0 HG3 GLU A 109 -7.170 15.755 -0.861 1.00 35.35 H new ATOM 1761 N LEU A 110 -3.132 16.730 -0.507 1.00 51.41 N ATOM 1762 CA LEU A 110 -2.722 17.612 0.599 1.00 3.23 C ATOM 1763 C LEU A 110 -2.630 19.065 0.118 1.00 32.24 C ATOM 1764 O LEU A 110 -1.969 19.341 -0.892 1.00 24.31 O ATOM 1765 CB LEU A 110 -1.349 17.163 1.198 1.00 73.40 C ATOM 1766 CG LEU A 110 -1.233 15.665 1.672 1.00 41.24 C ATOM 1767 CD1 LEU A 110 -2.516 15.194 2.388 1.00 31.03 C ATOM 1768 CD2 LEU A 110 -0.833 14.714 0.511 1.00 11.00 C ATOM 0 H LEU A 110 -2.387 16.542 -1.178 1.00 51.41 H new ATOM 0 HA LEU A 110 -3.478 17.541 1.381 1.00 3.23 H new ATOM 0 HB2 LEU A 110 -0.577 17.342 0.449 1.00 73.40 H new ATOM 0 HB3 LEU A 110 -1.123 17.806 2.049 1.00 73.40 H new ATOM 0 HG LEU A 110 -0.424 15.623 2.402 1.00 41.24 H new ATOM 0 HD11 LEU A 110 -2.398 14.156 2.700 1.00 31.03 H new ATOM 0 HD12 LEU A 110 -2.694 15.818 3.263 1.00 31.03 H new ATOM 0 HD13 LEU A 110 -3.363 15.274 1.707 1.00 31.03 H new ATOM 0 HD21 LEU A 110 -0.765 13.692 0.885 1.00 11.00 H new ATOM 0 HD22 LEU A 110 -1.586 14.763 -0.276 1.00 11.00 H new ATOM 0 HD23 LEU A 110 0.133 15.018 0.108 1.00 11.00 H new ATOM 1780 N GLU A 111 -3.276 19.986 0.855 1.00 12.33 N ATOM 1781 CA GLU A 111 -3.147 21.439 0.618 1.00 1.51 C ATOM 1782 C GLU A 111 -1.760 21.942 1.063 1.00 52.13 C ATOM 1783 O GLU A 111 -1.404 23.095 0.824 1.00 13.23 O ATOM 1784 CB GLU A 111 -4.320 22.207 1.299 1.00 63.52 C ATOM 1785 CG GLU A 111 -4.509 21.981 2.821 1.00 71.22 C ATOM 1786 CD GLU A 111 -3.492 22.715 3.722 1.00 51.25 C ATOM 1787 OE1 GLU A 111 -3.590 23.952 3.862 1.00 11.44 O ATOM 1788 OE2 GLU A 111 -2.592 22.061 4.291 1.00 4.42 O ATOM 0 H GLU A 111 -3.899 19.749 1.627 1.00 12.33 H new ATOM 0 HA GLU A 111 -3.220 21.637 -0.451 1.00 1.51 H new ATOM 0 HB2 GLU A 111 -4.173 23.274 1.129 1.00 63.52 H new ATOM 0 HB3 GLU A 111 -5.246 21.929 0.796 1.00 63.52 H new ATOM 0 HG2 GLU A 111 -5.514 22.300 3.098 1.00 71.22 H new ATOM 0 HG3 GLU A 111 -4.447 20.912 3.025 1.00 71.22 H new ATOM 1795 N HIS A 112 -1.006 21.064 1.747 1.00 1.12 N ATOM 1796 CA HIS A 112 0.416 21.264 2.025 1.00 74.32 C ATOM 1797 C HIS A 112 1.231 21.179 0.716 1.00 11.42 C ATOM 1798 O HIS A 112 1.365 20.099 0.125 1.00 42.55 O ATOM 1799 CB HIS A 112 0.936 20.213 3.039 1.00 4.44 C ATOM 1800 CG HIS A 112 0.347 20.337 4.415 1.00 5.00 C ATOM 1801 ND1 HIS A 112 0.676 21.364 5.271 1.00 32.30 N ATOM 1802 CD2 HIS A 112 -0.546 19.571 5.079 1.00 71.12 C ATOM 1803 CE1 HIS A 112 0.012 21.220 6.399 1.00 10.45 C ATOM 1804 NE2 HIS A 112 -0.734 20.143 6.306 1.00 34.24 N ATOM 0 H HIS A 112 -1.375 20.190 2.123 1.00 1.12 H new ATOM 0 HA HIS A 112 0.540 22.255 2.462 1.00 74.32 H new ATOM 0 HB2 HIS A 112 0.722 19.216 2.653 1.00 4.44 H new ATOM 0 HB3 HIS A 112 2.020 20.301 3.111 1.00 4.44 H new ATOM 0 HD2 HIS A 112 -1.022 18.675 4.710 1.00 71.12 H new ATOM 0 HE1 HIS A 112 0.071 21.876 7.255 1.00 10.45 H new ATOM 0 HE2 HIS A 112 -1.355 19.790 7.034 1.00 34.24 H new ATOM 1813 N HIS A 113 1.736 22.333 0.261 1.00 34.20 N ATOM 1814 CA HIS A 113 2.612 22.432 -0.914 1.00 60.32 C ATOM 1815 C HIS A 113 3.617 23.574 -0.703 1.00 13.24 C ATOM 1816 O HIS A 113 3.237 24.745 -0.598 1.00 23.01 O ATOM 1817 CB HIS A 113 1.790 22.614 -2.226 1.00 52.11 C ATOM 1818 CG HIS A 113 0.872 23.818 -2.274 1.00 11.11 C ATOM 1819 ND1 HIS A 113 -0.354 23.838 -1.661 1.00 23.32 N ATOM 1820 CD2 HIS A 113 0.994 25.029 -2.884 1.00 24.21 C ATOM 1821 CE1 HIS A 113 -0.945 24.992 -1.884 1.00 14.04 C ATOM 1822 NE2 HIS A 113 -0.152 25.736 -2.627 1.00 53.25 N ATOM 0 H HIS A 113 1.546 23.233 0.702 1.00 34.20 H new ATOM 0 HA HIS A 113 3.164 21.499 -1.027 1.00 60.32 H new ATOM 0 HB2 HIS A 113 2.487 22.680 -3.061 1.00 52.11 H new ATOM 0 HB3 HIS A 113 1.189 21.718 -2.382 1.00 52.11 H new ATOM 0 HD1 HIS A 113 -0.749 23.073 -1.114 1.00 23.32 H new ATOM 0 HD2 HIS A 113 1.839 25.370 -3.464 1.00 24.21 H new ATOM 0 HE1 HIS A 113 -1.919 25.281 -1.518 1.00 14.04 H new ATOM 1831 N HIS A 114 4.903 23.222 -0.595 1.00 11.13 N ATOM 1832 CA HIS A 114 5.999 24.199 -0.469 1.00 33.32 C ATOM 1833 C HIS A 114 6.474 24.599 -1.881 1.00 24.51 C ATOM 1834 O HIS A 114 7.647 24.436 -2.234 1.00 42.10 O ATOM 1835 CB HIS A 114 7.139 23.595 0.407 1.00 32.35 C ATOM 1836 CG HIS A 114 8.241 24.548 0.808 1.00 65.44 C ATOM 1837 ND1 HIS A 114 9.457 24.117 1.291 1.00 3.25 N ATOM 1838 CD2 HIS A 114 8.304 25.905 0.817 1.00 30.24 C ATOM 1839 CE1 HIS A 114 10.202 25.160 1.591 1.00 34.01 C ATOM 1840 NE2 HIS A 114 9.533 26.258 1.306 1.00 10.43 N ATOM 0 H HIS A 114 5.217 22.252 -0.592 1.00 11.13 H new ATOM 0 HA HIS A 114 5.661 25.105 0.034 1.00 33.32 H new ATOM 0 HB2 HIS A 114 6.695 23.183 1.313 1.00 32.35 H new ATOM 0 HB3 HIS A 114 7.586 22.762 -0.136 1.00 32.35 H new ATOM 0 HD2 HIS A 114 7.526 26.582 0.497 1.00 30.24 H new ATOM 0 HE1 HIS A 114 11.199 25.122 2.004 1.00 34.01 H new ATOM 0 HE2 HIS A 114 9.873 27.212 1.429 1.00 10.43 H new ATOM 1849 N HIS A 115 5.522 25.110 -2.683 1.00 61.44 N ATOM 1850 CA HIS A 115 5.748 25.491 -4.079 1.00 33.40 C ATOM 1851 C HIS A 115 4.543 26.310 -4.563 1.00 63.23 C ATOM 1852 O HIS A 115 3.487 25.751 -4.868 1.00 5.54 O ATOM 1853 CB HIS A 115 5.976 24.231 -4.965 1.00 32.33 C ATOM 1854 CG HIS A 115 6.469 24.515 -6.366 1.00 35.40 C ATOM 1855 ND1 HIS A 115 7.772 24.281 -6.768 1.00 33.25 N ATOM 1856 CD2 HIS A 115 5.833 24.996 -7.465 1.00 21.44 C ATOM 1857 CE1 HIS A 115 7.906 24.607 -8.037 1.00 35.42 C ATOM 1858 NE2 HIS A 115 6.747 25.040 -8.480 1.00 14.12 N ATOM 0 H HIS A 115 4.564 25.270 -2.371 1.00 61.44 H new ATOM 0 HA HIS A 115 6.649 26.100 -4.157 1.00 33.40 H new ATOM 0 HB2 HIS A 115 6.696 23.581 -4.468 1.00 32.33 H new ATOM 0 HB3 HIS A 115 5.039 23.677 -5.031 1.00 32.33 H new ATOM 0 HD2 HIS A 115 4.796 25.290 -7.526 1.00 21.44 H new ATOM 0 HE1 HIS A 115 8.815 24.531 -8.616 1.00 35.42 H new ATOM 0 HE2 HIS A 115 6.559 25.358 -9.431 1.00 14.12 H new ATOM 1867 N HIS A 116 4.707 27.639 -4.586 1.00 73.43 N ATOM 1868 CA HIS A 116 3.678 28.570 -5.091 1.00 30.24 C ATOM 1869 C HIS A 116 3.635 28.489 -6.626 1.00 63.13 C ATOM 1870 O HIS A 116 4.674 28.280 -7.261 1.00 12.11 O ATOM 1871 CB HIS A 116 3.975 30.019 -4.611 1.00 22.43 C ATOM 1872 CG HIS A 116 2.919 31.064 -4.942 1.00 54.23 C ATOM 1873 ND1 HIS A 116 1.872 31.372 -4.097 1.00 73.43 N ATOM 1874 CD2 HIS A 116 2.782 31.901 -6.007 1.00 10.22 C ATOM 1875 CE1 HIS A 116 1.147 32.343 -4.624 1.00 63.32 C ATOM 1876 NE2 HIS A 116 1.676 32.678 -5.778 1.00 13.54 N ATOM 0 H HIS A 116 5.554 28.103 -4.257 1.00 73.43 H new ATOM 0 HA HIS A 116 2.702 28.288 -4.696 1.00 30.24 H new ATOM 0 HB2 HIS A 116 4.113 30.001 -3.530 1.00 22.43 H new ATOM 0 HB3 HIS A 116 4.922 30.338 -5.047 1.00 22.43 H new ATOM 0 HD2 HIS A 116 3.426 31.945 -6.873 1.00 10.22 H new ATOM 0 HE1 HIS A 116 0.268 32.786 -4.180 1.00 63.32 H new ATOM 0 HE2 HIS A 116 1.321 33.401 -6.404 1.00 13.54 H new ATOM 1885 N HIS A 117 2.436 28.640 -7.209 1.00 40.23 N ATOM 1886 CA HIS A 117 2.224 28.491 -8.667 1.00 32.22 C ATOM 1887 C HIS A 117 0.982 29.312 -9.118 1.00 4.05 C ATOM 1888 O HIS A 117 0.237 28.884 -10.030 1.00 54.14 O ATOM 1889 CB HIS A 117 2.103 26.976 -9.018 1.00 53.45 C ATOM 1890 CG HIS A 117 0.960 26.263 -8.340 1.00 24.32 C ATOM 1891 ND1 HIS A 117 -0.298 26.189 -8.887 1.00 60.50 N ATOM 1892 CD2 HIS A 117 0.891 25.588 -7.164 1.00 35.40 C ATOM 1893 CE1 HIS A 117 -1.087 25.508 -8.085 1.00 51.22 C ATOM 1894 NE2 HIS A 117 -0.393 25.133 -7.032 1.00 71.34 N ATOM 1895 OXT HIS A 117 0.753 30.394 -8.537 1.00 39.12 O ATOM 0 H HIS A 117 1.587 28.868 -6.691 1.00 40.23 H new ATOM 0 HA HIS A 117 3.078 28.891 -9.214 1.00 32.22 H new ATOM 0 HB2 HIS A 117 1.988 26.875 -10.097 1.00 53.45 H new ATOM 0 HB3 HIS A 117 3.035 26.479 -8.749 1.00 53.45 H new ATOM 0 HD2 HIS A 117 1.699 25.438 -6.463 1.00 35.40 H new ATOM 0 HE1 HIS A 117 -2.130 25.293 -8.261 1.00 51.22 H new ATOM 0 HE2 HIS A 117 -0.753 24.592 -6.246 1.00 71.34 H new TER 1904 HIS A 117