USER MOD reduce.3.24.130724 H: found=0, std=0, add=843, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 844 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 84 THR OG1 : rot 180:sc= -0.112 USER MOD Set 1.2: A 85 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 9 SER OG : rot 69:sc= 0.00188 USER MOD Set 2.2: A 59 SER OG : rot 70:sc= 0.513 USER MOD Set 3.1: A 50 GLN : amide:sc= 0.394 K(o=0.85,f=-0.64) USER MOD Set 3.2: A 51 ASN : amide:sc= 0.46 K(o=0.85,f=-0.031) USER MOD Single : A 4 TYR OH : rot -140:sc= 0.188 USER MOD Single : A 10 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 LYS NZ :NH3+ 169:sc= 0.499 (180deg=0.435) USER MOD Single : A 21 MET CE :methyl -149:sc= -0.45 (180deg=-2.38!) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 31 THR OG1 : rot 37:sc= 0.384 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 THR OG1 : rot 180:sc= -0.255 USER MOD Single : A 39 LYS NZ :NH3+ -167:sc= 0.778 (180deg=0.65) USER MOD Single : A 40 LYS NZ :NH3+ -172:sc= -0.0193 (180deg=-0.107) USER MOD Single : A 41 TYR OH : rot -156:sc= 0.0699 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 ASN :FLIP amide:sc= 0 F(o=-0.83,f=0) USER MOD Single : A 66 LYS NZ :NH3+ 153:sc= 0.151 (180deg=-0.113) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 GLN : amide:sc= 0 X(o=0,f=-0.18) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 MET CE :methyl -168:sc= 0 (180deg=-0.175) USER MOD Single : A 80 THR OG1 : rot -150:sc= 0 USER MOD Single : A 82 LYS NZ :NH3+ 160:sc= 0.803 (180deg=0.561) USER MOD Single : A 90 LYS NZ :NH3+ -159:sc= 0.612 (180deg=0.373) USER MOD Single : A 94 LYS NZ :NH3+ 142:sc= 1.09 (180deg=0.265) USER MOD Single : A 97 SER OG : rot 77:sc= 0.339 USER MOD ----------------------------------------------------------------- ATOM 20 N LEU A 2 -10.279 -1.657 9.773 1.00 21.25 N ATOM 21 CA LEU A 2 -9.628 -2.424 8.701 1.00 23.00 C ATOM 22 C LEU A 2 -8.412 -1.637 8.167 1.00 45.21 C ATOM 23 O LEU A 2 -8.582 -0.609 7.513 1.00 25.44 O ATOM 24 CB LEU A 2 -10.652 -2.702 7.559 1.00 52.24 C ATOM 25 CG LEU A 2 -11.941 -3.482 7.959 1.00 32.02 C ATOM 26 CD1 LEU A 2 -12.913 -3.610 6.760 1.00 3.43 C ATOM 27 CD2 LEU A 2 -11.587 -4.863 8.553 1.00 55.24 C ATOM 0 HA LEU A 2 -9.279 -3.379 9.092 1.00 23.00 H new ATOM 0 HB2 LEU A 2 -10.951 -1.747 7.128 1.00 52.24 H new ATOM 0 HB3 LEU A 2 -10.144 -3.261 6.773 1.00 52.24 H new ATOM 0 HG LEU A 2 -12.454 -2.911 8.733 1.00 32.02 H new ATOM 0 HD11 LEU A 2 -13.803 -4.159 7.070 1.00 3.43 H new ATOM 0 HD12 LEU A 2 -13.201 -2.616 6.417 1.00 3.43 H new ATOM 0 HD13 LEU A 2 -12.421 -4.145 5.948 1.00 3.43 H new ATOM 0 HD21 LEU A 2 -12.503 -5.388 8.824 1.00 55.24 H new ATOM 0 HD22 LEU A 2 -11.039 -5.447 7.814 1.00 55.24 H new ATOM 0 HD23 LEU A 2 -10.969 -4.730 9.441 1.00 55.24 H new ATOM 39 N LEU A 3 -7.189 -2.096 8.490 1.00 21.42 N ATOM 40 CA LEU A 3 -5.937 -1.450 8.037 1.00 32.02 C ATOM 41 C LEU A 3 -5.216 -2.366 7.023 1.00 43.33 C ATOM 42 O LEU A 3 -4.820 -3.486 7.364 1.00 35.55 O ATOM 43 CB LEU A 3 -5.017 -1.154 9.253 1.00 35.25 C ATOM 44 CG LEU A 3 -5.572 -0.196 10.353 1.00 51.31 C ATOM 45 CD1 LEU A 3 -4.544 0.001 11.491 1.00 1.44 C ATOM 46 CD2 LEU A 3 -6.001 1.154 9.754 1.00 13.50 C ATOM 0 H LEU A 3 -7.038 -2.921 9.070 1.00 21.42 H new ATOM 0 HA LEU A 3 -6.177 -0.505 7.550 1.00 32.02 H new ATOM 0 HB2 LEU A 3 -4.768 -2.104 9.727 1.00 35.25 H new ATOM 0 HB3 LEU A 3 -4.085 -0.732 8.876 1.00 35.25 H new ATOM 0 HG LEU A 3 -6.458 -0.664 10.781 1.00 51.31 H new ATOM 0 HD11 LEU A 3 -4.958 0.673 12.243 1.00 1.44 H new ATOM 0 HD12 LEU A 3 -4.319 -0.962 11.949 1.00 1.44 H new ATOM 0 HD13 LEU A 3 -3.629 0.431 11.084 1.00 1.44 H new ATOM 0 HD21 LEU A 3 -6.383 1.798 10.546 1.00 13.50 H new ATOM 0 HD22 LEU A 3 -5.143 1.631 9.280 1.00 13.50 H new ATOM 0 HD23 LEU A 3 -6.782 0.991 9.011 1.00 13.50 H new ATOM 58 N TYR A 4 -5.061 -1.889 5.777 1.00 34.41 N ATOM 59 CA TYR A 4 -4.447 -2.669 4.680 1.00 64.32 C ATOM 60 C TYR A 4 -3.216 -1.948 4.124 1.00 13.55 C ATOM 61 O TYR A 4 -3.130 -0.720 4.172 1.00 72.31 O ATOM 62 CB TYR A 4 -5.478 -2.913 3.554 1.00 15.42 C ATOM 63 CG TYR A 4 -6.670 -3.774 3.991 1.00 43.31 C ATOM 64 CD1 TYR A 4 -6.523 -5.152 4.170 1.00 51.11 C ATOM 65 CD2 TYR A 4 -7.930 -3.221 4.233 1.00 64.14 C ATOM 66 CE1 TYR A 4 -7.585 -5.938 4.576 1.00 65.32 C ATOM 67 CE2 TYR A 4 -8.990 -4.011 4.636 1.00 33.10 C ATOM 68 CZ TYR A 4 -8.814 -5.362 4.807 1.00 53.25 C ATOM 69 OH TYR A 4 -9.872 -6.144 5.217 1.00 64.34 O ATOM 0 H TYR A 4 -5.356 -0.953 5.498 1.00 34.41 H new ATOM 0 HA TYR A 4 -4.129 -3.631 5.081 1.00 64.32 H new ATOM 0 HB2 TYR A 4 -5.846 -1.952 3.195 1.00 15.42 H new ATOM 0 HB3 TYR A 4 -4.979 -3.397 2.714 1.00 15.42 H new ATOM 0 HD1 TYR A 4 -5.563 -5.611 3.988 1.00 51.11 H new ATOM 0 HD2 TYR A 4 -8.078 -2.159 4.103 1.00 64.14 H new ATOM 0 HE1 TYR A 4 -7.451 -7.001 4.712 1.00 65.32 H new ATOM 0 HE2 TYR A 4 -9.957 -3.566 4.816 1.00 33.10 H new ATOM 0 HH TYR A 4 -10.691 -5.848 4.767 1.00 64.34 H new ATOM 79 N VAL A 5 -2.260 -2.739 3.620 1.00 10.04 N ATOM 80 CA VAL A 5 -1.026 -2.241 2.990 1.00 10.03 C ATOM 81 C VAL A 5 -0.918 -2.794 1.548 1.00 0.24 C ATOM 82 O VAL A 5 -0.872 -4.006 1.352 1.00 3.12 O ATOM 83 CB VAL A 5 0.240 -2.661 3.849 1.00 45.45 C ATOM 84 CG1 VAL A 5 1.559 -2.216 3.180 1.00 73.14 C ATOM 85 CG2 VAL A 5 0.138 -2.110 5.301 1.00 51.50 C ATOM 0 H VAL A 5 -2.321 -3.757 3.638 1.00 10.04 H new ATOM 0 HA VAL A 5 -1.060 -1.152 2.947 1.00 10.03 H new ATOM 0 HB VAL A 5 0.251 -3.750 3.899 1.00 45.45 H new ATOM 0 HG11 VAL A 5 2.402 -2.522 3.799 1.00 73.14 H new ATOM 0 HG12 VAL A 5 1.643 -2.680 2.197 1.00 73.14 H new ATOM 0 HG13 VAL A 5 1.564 -1.131 3.071 1.00 73.14 H new ATOM 0 HG21 VAL A 5 1.019 -2.413 5.868 1.00 51.50 H new ATOM 0 HG22 VAL A 5 0.080 -1.022 5.274 1.00 51.50 H new ATOM 0 HG23 VAL A 5 -0.756 -2.509 5.780 1.00 51.50 H new ATOM 95 N LEU A 6 -0.921 -1.891 0.549 1.00 23.22 N ATOM 96 CA LEU A 6 -0.733 -2.231 -0.875 1.00 12.44 C ATOM 97 C LEU A 6 0.656 -1.766 -1.320 1.00 24.00 C ATOM 98 O LEU A 6 0.903 -0.571 -1.400 1.00 44.31 O ATOM 99 CB LEU A 6 -1.827 -1.544 -1.749 1.00 14.33 C ATOM 100 CG LEU A 6 -3.300 -1.966 -1.478 1.00 72.01 C ATOM 101 CD1 LEU A 6 -4.280 -1.315 -2.485 1.00 43.54 C ATOM 102 CD2 LEU A 6 -3.448 -3.489 -1.460 1.00 32.43 C ATOM 0 H LEU A 6 -1.056 -0.893 0.710 1.00 23.22 H new ATOM 0 HA LEU A 6 -0.820 -3.310 -1.001 1.00 12.44 H new ATOM 0 HB2 LEU A 6 -1.750 -0.466 -1.607 1.00 14.33 H new ATOM 0 HB3 LEU A 6 -1.602 -1.745 -2.797 1.00 14.33 H new ATOM 0 HG LEU A 6 -3.565 -1.596 -0.488 1.00 72.01 H new ATOM 0 HD11 LEU A 6 -5.298 -1.635 -2.261 1.00 43.54 H new ATOM 0 HD12 LEU A 6 -4.215 -0.230 -2.406 1.00 43.54 H new ATOM 0 HD13 LEU A 6 -4.018 -1.621 -3.498 1.00 43.54 H new ATOM 0 HD21 LEU A 6 -4.488 -3.751 -1.268 1.00 32.43 H new ATOM 0 HD22 LEU A 6 -3.143 -3.896 -2.424 1.00 32.43 H new ATOM 0 HD23 LEU A 6 -2.818 -3.907 -0.675 1.00 32.43 H new ATOM 114 N ILE A 7 1.562 -2.702 -1.606 1.00 32.52 N ATOM 115 CA ILE A 7 2.951 -2.368 -1.970 1.00 13.10 C ATOM 116 C ILE A 7 3.192 -2.610 -3.479 1.00 4.11 C ATOM 117 O ILE A 7 3.240 -3.753 -3.942 1.00 52.33 O ATOM 118 CB ILE A 7 3.987 -3.176 -1.091 1.00 62.42 C ATOM 119 CG1 ILE A 7 5.450 -2.843 -1.530 1.00 61.12 C ATOM 120 CG2 ILE A 7 3.717 -4.704 -1.105 1.00 32.32 C ATOM 121 CD1 ILE A 7 6.519 -3.536 -0.722 1.00 23.33 C ATOM 0 H ILE A 7 1.364 -3.702 -1.594 1.00 32.52 H new ATOM 0 HA ILE A 7 3.106 -1.309 -1.766 1.00 13.10 H new ATOM 0 HB ILE A 7 3.857 -2.857 -0.057 1.00 62.42 H new ATOM 0 HG12 ILE A 7 5.572 -3.114 -2.579 1.00 61.12 H new ATOM 0 HG13 ILE A 7 5.601 -1.766 -1.460 1.00 61.12 H new ATOM 0 HG21 ILE A 7 4.458 -5.210 -0.486 1.00 32.32 H new ATOM 0 HG22 ILE A 7 2.720 -4.901 -0.712 1.00 32.32 H new ATOM 0 HG23 ILE A 7 3.784 -5.076 -2.127 1.00 32.32 H new ATOM 0 HD11 ILE A 7 7.502 -3.247 -1.095 1.00 23.33 H new ATOM 0 HD12 ILE A 7 6.429 -3.246 0.325 1.00 23.33 H new ATOM 0 HD13 ILE A 7 6.400 -4.616 -0.811 1.00 23.33 H new ATOM 133 N ILE A 8 3.321 -1.521 -4.251 1.00 1.41 N ATOM 134 CA ILE A 8 3.686 -1.603 -5.671 1.00 11.43 C ATOM 135 C ILE A 8 5.218 -1.575 -5.770 1.00 21.23 C ATOM 136 O ILE A 8 5.836 -0.508 -5.602 1.00 1.43 O ATOM 137 CB ILE A 8 3.066 -0.426 -6.524 1.00 71.23 C ATOM 138 CG1 ILE A 8 1.598 -0.130 -6.083 1.00 43.14 C ATOM 139 CG2 ILE A 8 3.136 -0.761 -8.037 1.00 72.14 C ATOM 140 CD1 ILE A 8 0.872 0.908 -6.912 1.00 1.33 C ATOM 0 H ILE A 8 3.177 -0.570 -3.913 1.00 1.41 H new ATOM 0 HA ILE A 8 3.283 -2.529 -6.081 1.00 11.43 H new ATOM 0 HB ILE A 8 3.653 0.475 -6.345 1.00 71.23 H new ATOM 0 HG12 ILE A 8 1.031 -1.060 -6.117 1.00 43.14 H new ATOM 0 HG13 ILE A 8 1.607 0.200 -5.044 1.00 43.14 H new ATOM 0 HG21 ILE A 8 2.705 0.059 -8.612 1.00 72.14 H new ATOM 0 HG22 ILE A 8 4.176 -0.903 -8.331 1.00 72.14 H new ATOM 0 HG23 ILE A 8 2.576 -1.675 -8.234 1.00 72.14 H new ATOM 0 HD11 ILE A 8 -0.138 1.041 -6.525 1.00 1.33 H new ATOM 0 HD12 ILE A 8 1.408 1.856 -6.859 1.00 1.33 H new ATOM 0 HD13 ILE A 8 0.823 0.576 -7.949 1.00 1.33 H new ATOM 152 N SER A 9 5.820 -2.754 -5.993 1.00 41.02 N ATOM 153 CA SER A 9 7.275 -2.899 -6.094 1.00 22.44 C ATOM 154 C SER A 9 7.629 -4.152 -6.897 1.00 24.02 C ATOM 155 O SER A 9 6.986 -5.197 -6.759 1.00 60.11 O ATOM 156 CB SER A 9 7.912 -2.975 -4.683 1.00 34.44 C ATOM 157 OG SER A 9 9.333 -3.005 -4.746 1.00 73.44 O ATOM 0 H SER A 9 5.310 -3.630 -6.108 1.00 41.02 H new ATOM 0 HA SER A 9 7.673 -2.025 -6.610 1.00 22.44 H new ATOM 0 HB2 SER A 9 7.592 -2.116 -4.093 1.00 34.44 H new ATOM 0 HB3 SER A 9 7.552 -3.866 -4.169 1.00 34.44 H new ATOM 0 HG SER A 9 9.665 -2.135 -5.050 1.00 73.44 H new ATOM 163 N ASN A 10 8.655 -4.015 -7.741 1.00 30.43 N ATOM 164 CA ASN A 10 9.245 -5.130 -8.498 1.00 44.03 C ATOM 165 C ASN A 10 10.342 -5.813 -7.665 1.00 52.42 C ATOM 166 O ASN A 10 10.664 -6.987 -7.885 1.00 12.22 O ATOM 167 CB ASN A 10 9.837 -4.606 -9.836 1.00 45.11 C ATOM 168 CG ASN A 10 8.780 -4.008 -10.769 1.00 70.23 C ATOM 169 OD1 ASN A 10 8.440 -2.828 -10.669 1.00 63.22 O ATOM 170 ND2 ASN A 10 8.259 -4.805 -11.689 1.00 52.03 N ATOM 0 H ASN A 10 9.107 -3.119 -7.922 1.00 30.43 H new ATOM 0 HA ASN A 10 8.467 -5.861 -8.717 1.00 44.03 H new ATOM 0 HB2 ASN A 10 10.592 -3.850 -9.621 1.00 45.11 H new ATOM 0 HB3 ASN A 10 10.343 -5.425 -10.348 1.00 45.11 H new ATOM 0 HD21 ASN A 10 7.558 -4.446 -12.337 1.00 52.03 H new ATOM 0 HD22 ASN A 10 8.559 -5.778 -11.750 1.00 52.03 H new ATOM 177 N ASP A 11 10.905 -5.064 -6.693 1.00 40.01 N ATOM 178 CA ASP A 11 12.071 -5.512 -5.916 1.00 22.33 C ATOM 179 C ASP A 11 11.628 -6.414 -4.751 1.00 24.34 C ATOM 180 O ASP A 11 10.913 -5.973 -3.841 1.00 31.31 O ATOM 181 CB ASP A 11 12.897 -4.312 -5.394 1.00 62.54 C ATOM 182 CG ASP A 11 14.186 -4.752 -4.670 1.00 21.51 C ATOM 183 OD1 ASP A 11 15.135 -5.213 -5.346 1.00 42.31 O ATOM 184 OD2 ASP A 11 14.254 -4.658 -3.430 1.00 23.14 O ATOM 0 H ASP A 11 10.564 -4.139 -6.429 1.00 40.01 H new ATOM 0 HA ASP A 11 12.712 -6.091 -6.580 1.00 22.33 H new ATOM 0 HB2 ASP A 11 13.157 -3.663 -6.230 1.00 62.54 H new ATOM 0 HB3 ASP A 11 12.284 -3.723 -4.712 1.00 62.54 H new ATOM 189 N LYS A 12 12.081 -7.674 -4.812 1.00 62.31 N ATOM 190 CA LYS A 12 11.735 -8.734 -3.853 1.00 63.32 C ATOM 191 C LYS A 12 12.163 -8.391 -2.418 1.00 11.25 C ATOM 192 O LYS A 12 11.457 -8.723 -1.463 1.00 32.20 O ATOM 193 CB LYS A 12 12.381 -10.076 -4.289 1.00 44.30 C ATOM 194 CG LYS A 12 12.048 -10.561 -5.727 1.00 63.15 C ATOM 195 CD LYS A 12 10.600 -11.103 -5.933 1.00 64.24 C ATOM 196 CE LYS A 12 9.510 -10.018 -6.057 1.00 23.32 C ATOM 197 NZ LYS A 12 8.193 -10.594 -6.452 1.00 40.44 N ATOM 0 H LYS A 12 12.713 -7.992 -5.547 1.00 62.31 H new ATOM 0 HA LYS A 12 10.649 -8.827 -3.854 1.00 63.32 H new ATOM 0 HB2 LYS A 12 13.463 -9.980 -4.202 1.00 44.30 H new ATOM 0 HB3 LYS A 12 12.072 -10.850 -3.586 1.00 44.30 H new ATOM 0 HG2 LYS A 12 12.209 -9.733 -6.418 1.00 63.15 H new ATOM 0 HG3 LYS A 12 12.754 -11.346 -6.000 1.00 63.15 H new ATOM 0 HD2 LYS A 12 10.583 -11.719 -6.832 1.00 64.24 H new ATOM 0 HD3 LYS A 12 10.349 -11.755 -5.096 1.00 64.24 H new ATOM 0 HE2 LYS A 12 9.407 -9.497 -5.105 1.00 23.32 H new ATOM 0 HE3 LYS A 12 9.818 -9.277 -6.795 1.00 23.32 H new ATOM 0 HZ1 LYS A 12 7.489 -9.832 -6.524 1.00 40.44 H new ATOM 0 HZ2 LYS A 12 8.284 -11.070 -7.372 1.00 40.44 H new ATOM 0 HZ3 LYS A 12 7.886 -11.282 -5.735 1.00 40.44 H new ATOM 211 N LYS A 13 13.302 -7.696 -2.286 1.00 0.54 N ATOM 212 CA LYS A 13 13.897 -7.374 -0.982 1.00 13.12 C ATOM 213 C LYS A 13 13.039 -6.314 -0.274 1.00 41.24 C ATOM 214 O LYS A 13 12.769 -6.427 0.917 1.00 61.44 O ATOM 215 CB LYS A 13 15.372 -6.887 -1.133 1.00 42.32 C ATOM 216 CG LYS A 13 16.370 -7.913 -1.743 1.00 11.20 C ATOM 217 CD LYS A 13 16.220 -8.103 -3.277 1.00 22.11 C ATOM 218 CE LYS A 13 17.273 -9.056 -3.863 1.00 31.24 C ATOM 219 NZ LYS A 13 17.185 -9.153 -5.349 1.00 33.32 N ATOM 0 H LYS A 13 13.836 -7.342 -3.080 1.00 0.54 H new ATOM 0 HA LYS A 13 13.918 -8.280 -0.376 1.00 13.12 H new ATOM 0 HB2 LYS A 13 15.376 -5.992 -1.755 1.00 42.32 H new ATOM 0 HB3 LYS A 13 15.739 -6.593 -0.150 1.00 42.32 H new ATOM 0 HG2 LYS A 13 17.388 -7.589 -1.525 1.00 11.20 H new ATOM 0 HG3 LYS A 13 16.230 -8.876 -1.252 1.00 11.20 H new ATOM 0 HD2 LYS A 13 15.225 -8.490 -3.495 1.00 22.11 H new ATOM 0 HD3 LYS A 13 16.300 -7.133 -3.768 1.00 22.11 H new ATOM 0 HE2 LYS A 13 18.268 -8.711 -3.582 1.00 31.24 H new ATOM 0 HE3 LYS A 13 17.145 -10.047 -3.428 1.00 31.24 H new ATOM 0 HZ1 LYS A 13 17.915 -9.807 -5.698 1.00 33.32 H new ATOM 0 HZ2 LYS A 13 16.245 -9.507 -5.619 1.00 33.32 H new ATOM 0 HZ3 LYS A 13 17.334 -8.213 -5.768 1.00 33.32 H new ATOM 233 N LEU A 14 12.584 -5.316 -1.059 1.00 62.44 N ATOM 234 CA LEU A 14 11.716 -4.217 -0.588 1.00 3.13 C ATOM 235 C LEU A 14 10.353 -4.777 -0.117 1.00 52.43 C ATOM 236 O LEU A 14 9.812 -4.333 0.905 1.00 13.32 O ATOM 237 CB LEU A 14 11.572 -3.163 -1.738 1.00 35.45 C ATOM 238 CG LEU A 14 11.107 -1.707 -1.347 1.00 14.13 C ATOM 239 CD1 LEU A 14 11.558 -0.678 -2.410 1.00 73.02 C ATOM 240 CD2 LEU A 14 9.580 -1.611 -1.138 1.00 52.11 C ATOM 0 H LEU A 14 12.812 -5.250 -2.051 1.00 62.44 H new ATOM 0 HA LEU A 14 12.160 -3.718 0.274 1.00 3.13 H new ATOM 0 HB2 LEU A 14 12.535 -3.083 -2.242 1.00 35.45 H new ATOM 0 HB3 LEU A 14 10.863 -3.557 -2.466 1.00 35.45 H new ATOM 0 HG LEU A 14 11.586 -1.475 -0.396 1.00 14.13 H new ATOM 0 HD11 LEU A 14 11.225 0.318 -2.117 1.00 73.02 H new ATOM 0 HD12 LEU A 14 12.645 -0.689 -2.488 1.00 73.02 H new ATOM 0 HD13 LEU A 14 11.122 -0.937 -3.375 1.00 73.02 H new ATOM 0 HD21 LEU A 14 9.313 -0.589 -0.871 1.00 52.11 H new ATOM 0 HD22 LEU A 14 9.068 -1.891 -2.059 1.00 52.11 H new ATOM 0 HD23 LEU A 14 9.279 -2.286 -0.337 1.00 52.11 H new ATOM 252 N ILE A 15 9.829 -5.771 -0.871 1.00 72.51 N ATOM 253 CA ILE A 15 8.579 -6.482 -0.535 1.00 42.33 C ATOM 254 C ILE A 15 8.696 -7.222 0.815 1.00 75.41 C ATOM 255 O ILE A 15 7.802 -7.121 1.663 1.00 62.24 O ATOM 256 CB ILE A 15 8.168 -7.478 -1.687 1.00 71.21 C ATOM 257 CG1 ILE A 15 7.802 -6.685 -2.989 1.00 52.14 C ATOM 258 CG2 ILE A 15 7.011 -8.410 -1.252 1.00 61.34 C ATOM 259 CD1 ILE A 15 7.401 -7.544 -4.178 1.00 41.15 C ATOM 0 H ILE A 15 10.265 -6.102 -1.732 1.00 72.51 H new ATOM 0 HA ILE A 15 7.792 -5.734 -0.436 1.00 42.33 H new ATOM 0 HB ILE A 15 9.026 -8.115 -1.902 1.00 71.21 H new ATOM 0 HG12 ILE A 15 6.983 -6.002 -2.762 1.00 52.14 H new ATOM 0 HG13 ILE A 15 8.657 -6.073 -3.275 1.00 52.14 H new ATOM 0 HG21 ILE A 15 6.756 -9.081 -2.072 1.00 61.34 H new ATOM 0 HG22 ILE A 15 7.321 -8.996 -0.387 1.00 61.34 H new ATOM 0 HG23 ILE A 15 6.139 -7.810 -0.990 1.00 61.34 H new ATOM 0 HD11 ILE A 15 7.167 -6.903 -5.028 1.00 41.15 H new ATOM 0 HD12 ILE A 15 8.224 -8.209 -4.441 1.00 41.15 H new ATOM 0 HD13 ILE A 15 6.524 -8.137 -3.919 1.00 41.15 H new ATOM 271 N GLU A 16 9.816 -7.949 1.000 1.00 3.33 N ATOM 272 CA GLU A 16 10.062 -8.723 2.231 1.00 61.32 C ATOM 273 C GLU A 16 10.247 -7.804 3.456 1.00 71.01 C ATOM 274 O GLU A 16 9.775 -8.130 4.544 1.00 3.42 O ATOM 275 CB GLU A 16 11.270 -9.683 2.067 1.00 12.43 C ATOM 276 CG GLU A 16 11.077 -10.782 1.005 1.00 72.41 C ATOM 277 CD GLU A 16 9.785 -11.591 1.193 1.00 74.02 C ATOM 278 OE1 GLU A 16 9.736 -12.461 2.089 1.00 1.32 O ATOM 279 OE2 GLU A 16 8.801 -11.346 0.462 1.00 14.11 O ATOM 0 H GLU A 16 10.565 -8.016 0.311 1.00 3.33 H new ATOM 0 HA GLU A 16 9.175 -9.331 2.408 1.00 61.32 H new ATOM 0 HB2 GLU A 16 12.151 -9.096 1.807 1.00 12.43 H new ATOM 0 HB3 GLU A 16 11.474 -10.156 3.027 1.00 12.43 H new ATOM 0 HG2 GLU A 16 11.070 -10.324 0.016 1.00 72.41 H new ATOM 0 HG3 GLU A 16 11.930 -11.460 1.036 1.00 72.41 H new ATOM 286 N GLU A 17 10.914 -6.654 3.254 1.00 45.30 N ATOM 287 CA GLU A 17 11.149 -5.646 4.313 1.00 43.32 C ATOM 288 C GLU A 17 9.827 -5.054 4.831 1.00 33.14 C ATOM 289 O GLU A 17 9.611 -4.947 6.050 1.00 2.12 O ATOM 290 CB GLU A 17 12.056 -4.519 3.762 1.00 40.51 C ATOM 291 CG GLU A 17 13.534 -4.907 3.586 1.00 31.21 C ATOM 292 CD GLU A 17 14.269 -5.152 4.910 1.00 14.44 C ATOM 293 OE1 GLU A 17 14.667 -4.169 5.573 1.00 73.51 O ATOM 294 OE2 GLU A 17 14.454 -6.322 5.299 1.00 51.44 O ATOM 0 H GLU A 17 11.308 -6.393 2.350 1.00 45.30 H new ATOM 0 HA GLU A 17 11.642 -6.139 5.151 1.00 43.32 H new ATOM 0 HB2 GLU A 17 11.663 -4.194 2.798 1.00 40.51 H new ATOM 0 HB3 GLU A 17 11.997 -3.663 4.435 1.00 40.51 H new ATOM 0 HG2 GLU A 17 13.594 -5.808 2.975 1.00 31.21 H new ATOM 0 HG3 GLU A 17 14.045 -4.116 3.038 1.00 31.21 H new ATOM 301 N ALA A 18 8.957 -4.668 3.881 1.00 43.32 N ATOM 302 CA ALA A 18 7.619 -4.141 4.183 1.00 52.32 C ATOM 303 C ALA A 18 6.737 -5.220 4.838 1.00 62.30 C ATOM 304 O ALA A 18 5.906 -4.916 5.702 1.00 43.31 O ATOM 305 CB ALA A 18 6.969 -3.613 2.900 1.00 30.45 C ATOM 0 H ALA A 18 9.164 -4.714 2.883 1.00 43.32 H new ATOM 0 HA ALA A 18 7.718 -3.320 4.893 1.00 52.32 H new ATOM 0 HB1 ALA A 18 5.977 -3.223 3.128 1.00 30.45 H new ATOM 0 HB2 ALA A 18 7.584 -2.817 2.482 1.00 30.45 H new ATOM 0 HB3 ALA A 18 6.883 -4.423 2.176 1.00 30.45 H new ATOM 311 N ARG A 19 6.941 -6.481 4.399 1.00 12.43 N ATOM 312 CA ARG A 19 6.241 -7.653 4.943 1.00 24.14 C ATOM 313 C ARG A 19 6.576 -7.845 6.430 1.00 25.00 C ATOM 314 O ARG A 19 5.680 -8.096 7.220 1.00 52.40 O ATOM 315 CB ARG A 19 6.587 -8.937 4.150 1.00 12.41 C ATOM 316 CG ARG A 19 5.705 -10.160 4.498 1.00 23.34 C ATOM 317 CD ARG A 19 6.176 -11.451 3.811 1.00 14.23 C ATOM 318 NE ARG A 19 6.435 -11.280 2.369 1.00 34.35 N ATOM 319 CZ ARG A 19 5.527 -11.392 1.387 1.00 11.42 C ATOM 320 NH1 ARG A 19 4.249 -11.676 1.645 1.00 21.11 N ATOM 321 NH2 ARG A 19 5.920 -11.229 0.135 1.00 52.43 N ATOM 0 H ARG A 19 7.599 -6.710 3.654 1.00 12.43 H new ATOM 0 HA ARG A 19 5.171 -7.470 4.843 1.00 24.14 H new ATOM 0 HB2 ARG A 19 6.493 -8.728 3.084 1.00 12.41 H new ATOM 0 HB3 ARG A 19 7.631 -9.193 4.334 1.00 12.41 H new ATOM 0 HG2 ARG A 19 5.707 -10.308 5.578 1.00 23.34 H new ATOM 0 HG3 ARG A 19 4.675 -9.954 4.206 1.00 23.34 H new ATOM 0 HD2 ARG A 19 7.086 -11.803 4.298 1.00 14.23 H new ATOM 0 HD3 ARG A 19 5.421 -12.225 3.949 1.00 14.23 H new ATOM 0 HE ARG A 19 7.391 -11.056 2.093 1.00 34.35 H new ATOM 0 HH11 ARG A 19 3.941 -11.814 2.608 1.00 21.11 H new ATOM 0 HH12 ARG A 19 3.580 -11.755 0.879 1.00 21.11 H new ATOM 0 HH21 ARG A 19 6.898 -11.022 -0.070 1.00 52.43 H new ATOM 0 HH22 ARG A 19 5.246 -11.310 -0.626 1.00 52.43 H new ATOM 335 N LYS A 20 7.874 -7.668 6.800 1.00 31.42 N ATOM 336 CA LYS A 20 8.343 -7.831 8.202 1.00 33.23 C ATOM 337 C LYS A 20 7.616 -6.858 9.148 1.00 13.21 C ATOM 338 O LYS A 20 7.305 -7.195 10.294 1.00 75.25 O ATOM 339 CB LYS A 20 9.882 -7.623 8.322 1.00 15.33 C ATOM 340 CG LYS A 20 10.748 -8.636 7.540 1.00 61.34 C ATOM 341 CD LYS A 20 10.481 -10.110 7.916 1.00 64.20 C ATOM 342 CE LYS A 20 10.858 -10.453 9.366 1.00 12.34 C ATOM 343 NZ LYS A 20 10.466 -11.847 9.712 1.00 64.54 N ATOM 0 H LYS A 20 8.613 -7.412 6.145 1.00 31.42 H new ATOM 0 HA LYS A 20 8.109 -8.854 8.496 1.00 33.23 H new ATOM 0 HB2 LYS A 20 10.124 -6.619 7.975 1.00 15.33 H new ATOM 0 HB3 LYS A 20 10.158 -7.671 9.375 1.00 15.33 H new ATOM 0 HG2 LYS A 20 10.568 -8.505 6.473 1.00 61.34 H new ATOM 0 HG3 LYS A 20 11.800 -8.411 7.716 1.00 61.34 H new ATOM 0 HD2 LYS A 20 9.424 -10.330 7.762 1.00 64.20 H new ATOM 0 HD3 LYS A 20 11.042 -10.756 7.241 1.00 64.20 H new ATOM 0 HE2 LYS A 20 11.932 -10.330 9.503 1.00 12.34 H new ATOM 0 HE3 LYS A 20 10.368 -9.756 10.046 1.00 12.34 H new ATOM 0 HZ1 LYS A 20 10.894 -12.112 10.622 1.00 64.54 H new ATOM 0 HZ2 LYS A 20 9.430 -11.908 9.785 1.00 64.54 H new ATOM 0 HZ3 LYS A 20 10.800 -12.496 8.971 1.00 64.54 H new ATOM 357 N MET A 21 7.344 -5.650 8.630 1.00 0.40 N ATOM 358 CA MET A 21 6.594 -4.613 9.354 1.00 11.22 C ATOM 359 C MET A 21 5.101 -4.935 9.420 1.00 74.32 C ATOM 360 O MET A 21 4.464 -4.693 10.446 1.00 72.32 O ATOM 361 CB MET A 21 6.830 -3.230 8.702 1.00 55.23 C ATOM 362 CG MET A 21 8.190 -2.626 9.049 1.00 22.13 C ATOM 363 SD MET A 21 8.453 -2.476 10.828 1.00 21.43 S ATOM 364 CE MET A 21 6.996 -1.561 11.339 1.00 30.22 C ATOM 0 H MET A 21 7.639 -5.365 7.696 1.00 0.40 H new ATOM 0 HA MET A 21 6.964 -4.587 10.379 1.00 11.22 H new ATOM 0 HB2 MET A 21 6.748 -3.327 7.619 1.00 55.23 H new ATOM 0 HB3 MET A 21 6.044 -2.546 9.021 1.00 55.23 H new ATOM 0 HG2 MET A 21 8.978 -3.245 8.621 1.00 22.13 H new ATOM 0 HG3 MET A 21 8.273 -1.641 8.589 1.00 22.13 H new ATOM 0 HE1 MET A 21 7.240 -0.939 12.200 1.00 30.22 H new ATOM 0 HE2 MET A 21 6.658 -0.928 10.519 1.00 30.22 H new ATOM 0 HE3 MET A 21 6.204 -2.259 11.609 1.00 30.22 H new ATOM 374 N ALA A 22 4.553 -5.471 8.317 1.00 41.04 N ATOM 375 CA ALA A 22 3.147 -5.899 8.256 1.00 14.01 C ATOM 376 C ALA A 22 2.860 -7.038 9.254 1.00 42.44 C ATOM 377 O ALA A 22 1.770 -7.099 9.825 1.00 40.51 O ATOM 378 CB ALA A 22 2.784 -6.314 6.826 1.00 35.14 C ATOM 0 H ALA A 22 5.068 -5.619 7.449 1.00 41.04 H new ATOM 0 HA ALA A 22 2.521 -5.054 8.543 1.00 14.01 H new ATOM 0 HB1 ALA A 22 1.741 -6.629 6.792 1.00 35.14 H new ATOM 0 HB2 ALA A 22 2.930 -5.468 6.154 1.00 35.14 H new ATOM 0 HB3 ALA A 22 3.423 -7.140 6.514 1.00 35.14 H new ATOM 384 N GLU A 23 3.863 -7.927 9.444 1.00 55.54 N ATOM 385 CA GLU A 23 3.816 -9.041 10.421 1.00 25.41 C ATOM 386 C GLU A 23 3.671 -8.501 11.856 1.00 62.41 C ATOM 387 O GLU A 23 2.782 -8.924 12.607 1.00 64.24 O ATOM 388 CB GLU A 23 5.109 -9.896 10.318 1.00 54.24 C ATOM 389 CG GLU A 23 5.318 -10.627 8.966 1.00 1.50 C ATOM 390 CD GLU A 23 6.714 -11.258 8.788 1.00 1.23 C ATOM 391 OE1 GLU A 23 7.544 -11.204 9.727 1.00 43.31 O ATOM 392 OE2 GLU A 23 6.995 -11.808 7.701 1.00 73.52 O ATOM 0 H GLU A 23 4.736 -7.891 8.918 1.00 55.54 H new ATOM 0 HA GLU A 23 2.950 -9.661 10.189 1.00 25.41 H new ATOM 0 HB2 GLU A 23 5.967 -9.249 10.498 1.00 54.24 H new ATOM 0 HB3 GLU A 23 5.097 -10.639 11.115 1.00 54.24 H new ATOM 0 HG2 GLU A 23 4.565 -11.409 8.870 1.00 1.50 H new ATOM 0 HG3 GLU A 23 5.147 -9.919 8.155 1.00 1.50 H new ATOM 399 N LYS A 24 4.555 -7.547 12.202 1.00 3.44 N ATOM 400 CA LYS A 24 4.593 -6.908 13.536 1.00 10.33 C ATOM 401 C LYS A 24 3.309 -6.103 13.795 1.00 2.44 C ATOM 402 O LYS A 24 2.761 -6.121 14.898 1.00 73.20 O ATOM 403 CB LYS A 24 5.842 -5.990 13.652 1.00 3.22 C ATOM 404 CG LYS A 24 7.180 -6.744 13.536 1.00 4.34 C ATOM 405 CD LYS A 24 8.415 -5.817 13.617 1.00 61.41 C ATOM 406 CE LYS A 24 9.739 -6.599 13.547 1.00 41.21 C ATOM 407 NZ LYS A 24 10.926 -5.718 13.712 1.00 33.24 N ATOM 0 H LYS A 24 5.267 -7.194 11.563 1.00 3.44 H new ATOM 0 HA LYS A 24 4.659 -7.691 14.292 1.00 10.33 H new ATOM 0 HB2 LYS A 24 5.796 -5.229 12.873 1.00 3.22 H new ATOM 0 HB3 LYS A 24 5.811 -5.469 14.609 1.00 3.22 H new ATOM 0 HG2 LYS A 24 7.240 -7.487 14.331 1.00 4.34 H new ATOM 0 HG3 LYS A 24 7.203 -7.286 12.590 1.00 4.34 H new ATOM 0 HD2 LYS A 24 8.379 -5.095 12.801 1.00 61.41 H new ATOM 0 HD3 LYS A 24 8.380 -5.249 14.547 1.00 61.41 H new ATOM 0 HE2 LYS A 24 9.747 -7.365 14.323 1.00 41.21 H new ATOM 0 HE3 LYS A 24 9.803 -7.115 12.589 1.00 41.21 H new ATOM 0 HZ1 LYS A 24 11.793 -6.290 13.658 1.00 33.24 H new ATOM 0 HZ2 LYS A 24 10.935 -5.003 12.957 1.00 33.24 H new ATOM 0 HZ3 LYS A 24 10.881 -5.245 14.637 1.00 33.24 H new ATOM 421 N ALA A 25 2.831 -5.423 12.746 1.00 23.31 N ATOM 422 CA ALA A 25 1.618 -4.591 12.795 1.00 42.31 C ATOM 423 C ALA A 25 0.340 -5.449 12.726 1.00 34.30 C ATOM 424 O ALA A 25 -0.741 -4.976 13.101 1.00 73.24 O ATOM 425 CB ALA A 25 1.667 -3.582 11.640 1.00 2.15 C ATOM 0 H ALA A 25 3.278 -5.434 11.829 1.00 23.31 H new ATOM 0 HA ALA A 25 1.587 -4.059 13.746 1.00 42.31 H new ATOM 0 HB1 ALA A 25 0.774 -2.958 11.664 1.00 2.15 H new ATOM 0 HB2 ALA A 25 2.551 -2.953 11.743 1.00 2.15 H new ATOM 0 HB3 ALA A 25 1.711 -4.117 10.691 1.00 2.15 H new ATOM 431 N ASN A 26 0.499 -6.709 12.240 1.00 2.33 N ATOM 432 CA ASN A 26 -0.595 -7.702 12.063 1.00 11.13 C ATOM 433 C ASN A 26 -1.623 -7.245 11.009 1.00 3.01 C ATOM 434 O ASN A 26 -2.780 -7.679 11.024 1.00 43.32 O ATOM 435 CB ASN A 26 -1.272 -8.053 13.423 1.00 71.45 C ATOM 436 CG ASN A 26 -0.333 -8.796 14.372 1.00 23.34 C ATOM 437 OD1 ASN A 26 -0.304 -10.030 14.392 1.00 32.32 O ATOM 438 ND2 ASN A 26 0.469 -8.060 15.135 1.00 13.25 N ATOM 0 H ASN A 26 1.409 -7.070 11.955 1.00 2.33 H new ATOM 0 HA ASN A 26 -0.142 -8.617 11.682 1.00 11.13 H new ATOM 0 HB2 ASN A 26 -1.615 -7.136 13.901 1.00 71.45 H new ATOM 0 HB3 ASN A 26 -2.155 -8.665 13.238 1.00 71.45 H new ATOM 0 HD21 ASN A 26 1.134 -8.513 15.761 1.00 13.25 H new ATOM 0 HD22 ASN A 26 0.419 -7.042 15.094 1.00 13.25 H new ATOM 445 N LEU A 27 -1.168 -6.412 10.055 1.00 72.10 N ATOM 446 CA LEU A 27 -2.024 -5.871 8.976 1.00 11.51 C ATOM 447 C LEU A 27 -1.909 -6.750 7.721 1.00 2.01 C ATOM 448 O LEU A 27 -0.870 -7.390 7.503 1.00 72.14 O ATOM 449 CB LEU A 27 -1.630 -4.404 8.643 1.00 41.10 C ATOM 450 CG LEU A 27 -1.536 -3.416 9.856 1.00 13.11 C ATOM 451 CD1 LEU A 27 -1.294 -1.963 9.384 1.00 44.42 C ATOM 452 CD2 LEU A 27 -2.765 -3.529 10.790 1.00 52.31 C ATOM 0 H LEU A 27 -0.200 -6.094 10.008 1.00 72.10 H new ATOM 0 HA LEU A 27 -3.058 -5.877 9.320 1.00 11.51 H new ATOM 0 HB2 LEU A 27 -0.665 -4.416 8.136 1.00 41.10 H new ATOM 0 HB3 LEU A 27 -2.357 -4.007 7.935 1.00 41.10 H new ATOM 0 HG LEU A 27 -0.669 -3.709 10.447 1.00 13.11 H new ATOM 0 HD11 LEU A 27 -1.234 -1.304 10.250 1.00 44.42 H new ATOM 0 HD12 LEU A 27 -0.360 -1.913 8.825 1.00 44.42 H new ATOM 0 HD13 LEU A 27 -2.117 -1.646 8.744 1.00 44.42 H new ATOM 0 HD21 LEU A 27 -2.659 -2.827 11.617 1.00 52.31 H new ATOM 0 HD22 LEU A 27 -3.670 -3.296 10.230 1.00 52.31 H new ATOM 0 HD23 LEU A 27 -2.832 -4.544 11.182 1.00 52.31 H new ATOM 464 N GLU A 28 -2.968 -6.767 6.892 1.00 14.24 N ATOM 465 CA GLU A 28 -3.009 -7.581 5.666 1.00 61.24 C ATOM 466 C GLU A 28 -2.289 -6.835 4.528 1.00 31.41 C ATOM 467 O GLU A 28 -2.703 -5.739 4.131 1.00 25.43 O ATOM 468 CB GLU A 28 -4.470 -7.930 5.262 1.00 11.45 C ATOM 469 CG GLU A 28 -5.209 -8.902 6.216 1.00 14.42 C ATOM 470 CD GLU A 28 -5.514 -8.316 7.606 1.00 61.42 C ATOM 471 OE1 GLU A 28 -6.423 -7.468 7.717 1.00 71.50 O ATOM 472 OE2 GLU A 28 -4.846 -8.698 8.591 1.00 72.50 O ATOM 0 H GLU A 28 -3.814 -6.220 7.052 1.00 14.24 H new ATOM 0 HA GLU A 28 -2.495 -8.523 5.858 1.00 61.24 H new ATOM 0 HB2 GLU A 28 -5.042 -7.005 5.199 1.00 11.45 H new ATOM 0 HB3 GLU A 28 -4.458 -8.367 4.263 1.00 11.45 H new ATOM 0 HG2 GLU A 28 -6.146 -9.208 5.750 1.00 14.42 H new ATOM 0 HG3 GLU A 28 -4.605 -9.801 6.338 1.00 14.42 H new ATOM 479 N LEU A 29 -1.208 -7.445 4.023 1.00 63.53 N ATOM 480 CA LEU A 29 -0.385 -6.882 2.949 1.00 31.34 C ATOM 481 C LEU A 29 -0.685 -7.631 1.646 1.00 54.34 C ATOM 482 O LEU A 29 -0.662 -8.866 1.611 1.00 64.01 O ATOM 483 CB LEU A 29 1.123 -6.965 3.336 1.00 53.14 C ATOM 484 CG LEU A 29 2.165 -6.352 2.313 1.00 11.41 C ATOM 485 CD1 LEU A 29 3.385 -5.744 3.041 1.00 4.10 C ATOM 486 CD2 LEU A 29 2.647 -7.392 1.268 1.00 5.55 C ATOM 0 H LEU A 29 -0.879 -8.352 4.353 1.00 63.53 H new ATOM 0 HA LEU A 29 -0.624 -5.829 2.800 1.00 31.34 H new ATOM 0 HB2 LEU A 29 1.254 -6.463 4.294 1.00 53.14 H new ATOM 0 HB3 LEU A 29 1.376 -8.014 3.489 1.00 53.14 H new ATOM 0 HG LEU A 29 1.637 -5.559 1.784 1.00 11.41 H new ATOM 0 HD11 LEU A 29 4.079 -5.333 2.308 1.00 4.10 H new ATOM 0 HD12 LEU A 29 3.051 -4.950 3.710 1.00 4.10 H new ATOM 0 HD13 LEU A 29 3.887 -6.519 3.620 1.00 4.10 H new ATOM 0 HD21 LEU A 29 3.360 -6.923 0.590 1.00 5.55 H new ATOM 0 HD22 LEU A 29 3.128 -8.226 1.780 1.00 5.55 H new ATOM 0 HD23 LEU A 29 1.793 -7.759 0.699 1.00 5.55 H new ATOM 498 N ARG A 30 -0.984 -6.871 0.590 1.00 33.33 N ATOM 499 CA ARG A 30 -1.161 -7.390 -0.768 1.00 42.41 C ATOM 500 C ARG A 30 -0.017 -6.832 -1.631 1.00 74.13 C ATOM 501 O ARG A 30 0.166 -5.606 -1.700 1.00 71.40 O ATOM 502 CB ARG A 30 -2.522 -6.934 -1.361 1.00 21.34 C ATOM 503 CG ARG A 30 -3.786 -7.370 -0.586 1.00 5.31 C ATOM 504 CD ARG A 30 -3.995 -8.892 -0.569 1.00 50.14 C ATOM 505 NE ARG A 30 -5.305 -9.242 -0.003 1.00 74.43 N ATOM 506 CZ ARG A 30 -5.553 -10.196 0.910 1.00 45.44 C ATOM 507 NH1 ARG A 30 -4.571 -10.946 1.407 1.00 13.34 N ATOM 508 NH2 ARG A 30 -6.799 -10.378 1.329 1.00 63.21 N ATOM 0 H ARG A 30 -1.112 -5.861 0.656 1.00 33.33 H new ATOM 0 HA ARG A 30 -1.149 -8.480 -0.751 1.00 42.41 H new ATOM 0 HB2 ARG A 30 -2.519 -5.846 -1.427 1.00 21.34 H new ATOM 0 HB3 ARG A 30 -2.597 -7.315 -2.380 1.00 21.34 H new ATOM 0 HG2 ARG A 30 -3.717 -7.008 0.440 1.00 5.31 H new ATOM 0 HG3 ARG A 30 -4.659 -6.895 -1.033 1.00 5.31 H new ATOM 0 HD2 ARG A 30 -3.918 -9.284 -1.583 1.00 50.14 H new ATOM 0 HD3 ARG A 30 -3.205 -9.364 0.016 1.00 50.14 H new ATOM 0 HE ARG A 30 -6.107 -8.707 -0.337 1.00 74.43 H new ATOM 0 HH11 ARG A 30 -3.611 -10.801 1.095 1.00 13.34 H new ATOM 0 HH12 ARG A 30 -4.779 -11.665 2.099 1.00 13.34 H new ATOM 0 HH21 ARG A 30 -7.552 -9.798 0.958 1.00 63.21 H new ATOM 0 HH22 ARG A 30 -7.004 -11.098 2.022 1.00 63.21 H new ATOM 522 N THR A 31 0.756 -7.727 -2.264 1.00 55.23 N ATOM 523 CA THR A 31 1.817 -7.332 -3.194 1.00 34.34 C ATOM 524 C THR A 31 1.187 -6.931 -4.534 1.00 74.54 C ATOM 525 O THR A 31 0.581 -7.759 -5.227 1.00 2.21 O ATOM 526 CB THR A 31 2.849 -8.486 -3.395 1.00 43.33 C ATOM 527 OG1 THR A 31 2.183 -9.670 -3.870 1.00 23.11 O ATOM 528 CG2 THR A 31 3.584 -8.799 -2.084 1.00 21.33 C ATOM 0 H THR A 31 0.662 -8.736 -2.145 1.00 55.23 H new ATOM 0 HA THR A 31 2.356 -6.482 -2.776 1.00 34.34 H new ATOM 0 HB THR A 31 3.580 -8.160 -4.135 1.00 43.33 H new ATOM 0 HG1 THR A 31 1.467 -9.416 -4.489 1.00 23.11 H new ATOM 0 HG21 THR A 31 4.297 -9.606 -2.251 1.00 21.33 H new ATOM 0 HG22 THR A 31 4.115 -7.910 -1.743 1.00 21.33 H new ATOM 0 HG23 THR A 31 2.862 -9.103 -1.326 1.00 21.33 H new ATOM 536 N VAL A 32 1.306 -5.644 -4.857 1.00 3.31 N ATOM 537 CA VAL A 32 0.768 -5.052 -6.082 1.00 10.00 C ATOM 538 C VAL A 32 1.879 -4.989 -7.135 1.00 14.32 C ATOM 539 O VAL A 32 3.027 -4.657 -6.815 1.00 74.33 O ATOM 540 CB VAL A 32 0.217 -3.612 -5.802 1.00 33.34 C ATOM 541 CG1 VAL A 32 -0.438 -3.004 -7.056 1.00 72.31 C ATOM 542 CG2 VAL A 32 -0.750 -3.610 -4.598 1.00 35.34 C ATOM 0 H VAL A 32 1.789 -4.970 -4.263 1.00 3.31 H new ATOM 0 HA VAL A 32 -0.054 -5.668 -6.446 1.00 10.00 H new ATOM 0 HB VAL A 32 1.065 -2.978 -5.543 1.00 33.34 H new ATOM 0 HG11 VAL A 32 -0.809 -2.005 -6.825 1.00 72.31 H new ATOM 0 HG12 VAL A 32 0.299 -2.941 -7.857 1.00 72.31 H new ATOM 0 HG13 VAL A 32 -1.268 -3.634 -7.375 1.00 72.31 H new ATOM 0 HG21 VAL A 32 -1.116 -2.598 -4.427 1.00 35.34 H new ATOM 0 HG22 VAL A 32 -1.592 -4.270 -4.806 1.00 35.34 H new ATOM 0 HG23 VAL A 32 -0.225 -3.961 -3.709 1.00 35.34 H new ATOM 552 N LYS A 33 1.545 -5.329 -8.384 1.00 74.44 N ATOM 553 CA LYS A 33 2.503 -5.318 -9.500 1.00 12.12 C ATOM 554 C LYS A 33 2.196 -4.141 -10.440 1.00 55.41 C ATOM 555 O LYS A 33 2.977 -3.185 -10.536 1.00 44.23 O ATOM 556 CB LYS A 33 2.460 -6.675 -10.247 1.00 11.05 C ATOM 557 CG LYS A 33 2.705 -7.898 -9.329 1.00 13.23 C ATOM 558 CD LYS A 33 2.965 -9.193 -10.125 1.00 45.03 C ATOM 559 CE LYS A 33 4.262 -9.121 -10.949 1.00 64.21 C ATOM 560 NZ LYS A 33 4.533 -10.380 -11.689 1.00 4.50 N ATOM 0 H LYS A 33 0.605 -5.620 -8.652 1.00 74.44 H new ATOM 0 HA LYS A 33 3.514 -5.183 -9.115 1.00 12.12 H new ATOM 0 HB2 LYS A 33 1.489 -6.783 -10.730 1.00 11.05 H new ATOM 0 HB3 LYS A 33 3.211 -6.669 -11.037 1.00 11.05 H new ATOM 0 HG2 LYS A 33 3.558 -7.696 -8.681 1.00 13.23 H new ATOM 0 HG3 LYS A 33 1.840 -8.041 -8.682 1.00 13.23 H new ATOM 0 HD2 LYS A 33 3.021 -10.035 -9.436 1.00 45.03 H new ATOM 0 HD3 LYS A 33 2.124 -9.382 -10.792 1.00 45.03 H new ATOM 0 HE2 LYS A 33 4.195 -8.294 -11.656 1.00 64.21 H new ATOM 0 HE3 LYS A 33 5.099 -8.905 -10.285 1.00 64.21 H new ATOM 0 HZ1 LYS A 33 5.417 -10.282 -12.229 1.00 4.50 H new ATOM 0 HZ2 LYS A 33 4.624 -11.166 -11.015 1.00 4.50 H new ATOM 0 HZ3 LYS A 33 3.748 -10.574 -12.343 1.00 4.50 H new ATOM 574 N THR A 34 1.039 -4.214 -11.113 1.00 34.32 N ATOM 575 CA THR A 34 0.559 -3.173 -12.035 1.00 51.45 C ATOM 576 C THR A 34 -0.526 -2.330 -11.361 1.00 41.25 C ATOM 577 O THR A 34 -0.950 -2.622 -10.230 1.00 12.54 O ATOM 578 CB THR A 34 -0.027 -3.828 -13.329 1.00 12.55 C ATOM 579 OG1 THR A 34 -1.090 -4.728 -12.965 1.00 51.24 O ATOM 580 CG2 THR A 34 1.053 -4.585 -14.125 1.00 65.22 C ATOM 0 H THR A 34 0.402 -5.007 -11.032 1.00 34.32 H new ATOM 0 HA THR A 34 1.400 -2.534 -12.302 1.00 51.45 H new ATOM 0 HB THR A 34 -0.411 -3.034 -13.970 1.00 12.55 H new ATOM 0 HG1 THR A 34 -1.461 -5.139 -13.773 1.00 51.24 H new ATOM 0 HG21 THR A 34 0.606 -5.026 -15.016 1.00 65.22 H new ATOM 0 HG22 THR A 34 1.841 -3.892 -14.419 1.00 65.22 H new ATOM 0 HG23 THR A 34 1.477 -5.374 -13.504 1.00 65.22 H new ATOM 588 N GLU A 35 -0.991 -1.299 -12.086 1.00 23.04 N ATOM 589 CA GLU A 35 -2.139 -0.478 -11.677 1.00 61.13 C ATOM 590 C GLU A 35 -3.408 -1.341 -11.561 1.00 53.10 C ATOM 591 O GLU A 35 -4.246 -1.091 -10.712 1.00 23.14 O ATOM 592 CB GLU A 35 -2.371 0.691 -12.675 1.00 44.44 C ATOM 593 CG GLU A 35 -2.670 0.264 -14.132 1.00 72.35 C ATOM 594 CD GLU A 35 -3.010 1.449 -15.043 1.00 45.44 C ATOM 595 OE1 GLU A 35 -2.079 2.092 -15.579 1.00 31.33 O ATOM 596 OE2 GLU A 35 -4.213 1.764 -15.201 1.00 53.31 O ATOM 0 H GLU A 35 -0.579 -1.012 -12.974 1.00 23.04 H new ATOM 0 HA GLU A 35 -1.916 -0.053 -10.699 1.00 61.13 H new ATOM 0 HB2 GLU A 35 -3.202 1.297 -12.313 1.00 44.44 H new ATOM 0 HB3 GLU A 35 -1.487 1.329 -12.674 1.00 44.44 H new ATOM 0 HG2 GLU A 35 -1.805 -0.262 -14.536 1.00 72.35 H new ATOM 0 HG3 GLU A 35 -3.502 -0.441 -14.135 1.00 72.35 H new ATOM 603 N ASP A 36 -3.504 -2.380 -12.408 1.00 4.12 N ATOM 604 CA ASP A 36 -4.663 -3.282 -12.464 1.00 21.42 C ATOM 605 C ASP A 36 -4.739 -4.183 -11.222 1.00 74.44 C ATOM 606 O ASP A 36 -5.841 -4.540 -10.778 1.00 1.11 O ATOM 607 CB ASP A 36 -4.617 -4.111 -13.765 1.00 10.52 C ATOM 608 CG ASP A 36 -4.670 -3.216 -15.014 1.00 11.21 C ATOM 609 OD1 ASP A 36 -5.778 -2.769 -15.391 1.00 44.33 O ATOM 610 OD2 ASP A 36 -3.604 -2.926 -15.600 1.00 43.24 O ATOM 0 H ASP A 36 -2.772 -2.618 -13.078 1.00 4.12 H new ATOM 0 HA ASP A 36 -5.571 -2.680 -12.468 1.00 21.42 H new ATOM 0 HB2 ASP A 36 -3.705 -4.708 -13.784 1.00 10.52 H new ATOM 0 HB3 ASP A 36 -5.455 -4.808 -13.782 1.00 10.52 H new ATOM 615 N GLU A 37 -3.563 -4.543 -10.657 1.00 11.22 N ATOM 616 CA GLU A 37 -3.500 -5.248 -9.359 1.00 21.42 C ATOM 617 C GLU A 37 -3.992 -4.318 -8.238 1.00 23.15 C ATOM 618 O GLU A 37 -4.746 -4.730 -7.359 1.00 34.23 O ATOM 619 CB GLU A 37 -2.067 -5.743 -9.033 1.00 15.11 C ATOM 620 CG GLU A 37 -1.431 -6.668 -10.090 1.00 12.25 C ATOM 621 CD GLU A 37 -2.162 -8.008 -10.312 1.00 21.25 C ATOM 622 OE1 GLU A 37 -2.603 -8.641 -9.329 1.00 3.34 O ATOM 623 OE2 GLU A 37 -2.253 -8.460 -11.475 1.00 21.51 O ATOM 0 H GLU A 37 -2.652 -4.358 -11.077 1.00 11.22 H new ATOM 0 HA GLU A 37 -4.145 -6.124 -9.430 1.00 21.42 H new ATOM 0 HB2 GLU A 37 -1.422 -4.874 -8.900 1.00 15.11 H new ATOM 0 HB3 GLU A 37 -2.091 -6.271 -8.080 1.00 15.11 H new ATOM 0 HG2 GLU A 37 -1.388 -6.134 -11.039 1.00 12.25 H new ATOM 0 HG3 GLU A 37 -0.403 -6.877 -9.795 1.00 12.25 H new ATOM 630 N LEU A 38 -3.587 -3.038 -8.330 1.00 1.43 N ATOM 631 CA LEU A 38 -3.941 -1.986 -7.356 1.00 65.31 C ATOM 632 C LEU A 38 -5.479 -1.826 -7.315 1.00 14.50 C ATOM 633 O LEU A 38 -6.083 -1.768 -6.237 1.00 45.12 O ATOM 634 CB LEU A 38 -3.203 -0.660 -7.761 1.00 61.31 C ATOM 635 CG LEU A 38 -3.009 0.448 -6.669 1.00 12.15 C ATOM 636 CD1 LEU A 38 -4.303 1.219 -6.361 1.00 53.11 C ATOM 637 CD2 LEU A 38 -2.394 -0.146 -5.383 1.00 63.21 C ATOM 0 H LEU A 38 -2.998 -2.700 -9.091 1.00 1.43 H new ATOM 0 HA LEU A 38 -3.619 -2.252 -6.349 1.00 65.31 H new ATOM 0 HB2 LEU A 38 -2.217 -0.931 -8.138 1.00 61.31 H new ATOM 0 HB3 LEU A 38 -3.751 -0.215 -8.592 1.00 61.31 H new ATOM 0 HG LEU A 38 -2.310 1.175 -7.084 1.00 12.15 H new ATOM 0 HD11 LEU A 38 -4.105 1.972 -5.598 1.00 53.11 H new ATOM 0 HD12 LEU A 38 -4.661 1.707 -7.268 1.00 53.11 H new ATOM 0 HD13 LEU A 38 -5.062 0.526 -5.998 1.00 53.11 H new ATOM 0 HD21 LEU A 38 -2.270 0.643 -4.641 1.00 63.21 H new ATOM 0 HD22 LEU A 38 -3.055 -0.917 -4.986 1.00 63.21 H new ATOM 0 HD23 LEU A 38 -1.423 -0.584 -5.613 1.00 63.21 H new ATOM 649 N LYS A 39 -6.084 -1.836 -8.518 1.00 2.34 N ATOM 650 CA LYS A 39 -7.541 -1.747 -8.712 1.00 10.41 C ATOM 651 C LYS A 39 -8.269 -2.934 -8.047 1.00 42.00 C ATOM 652 O LYS A 39 -9.137 -2.725 -7.206 1.00 12.01 O ATOM 653 CB LYS A 39 -7.878 -1.725 -10.227 1.00 12.34 C ATOM 654 CG LYS A 39 -7.274 -0.551 -11.026 1.00 44.42 C ATOM 655 CD LYS A 39 -7.436 -0.732 -12.555 1.00 71.53 C ATOM 656 CE LYS A 39 -6.686 0.332 -13.368 1.00 73.05 C ATOM 657 NZ LYS A 39 -6.727 0.049 -14.832 1.00 61.11 N ATOM 0 H LYS A 39 -5.566 -1.907 -9.394 1.00 2.34 H new ATOM 0 HA LYS A 39 -7.881 -0.823 -8.244 1.00 10.41 H new ATOM 0 HB2 LYS A 39 -7.534 -2.659 -10.671 1.00 12.34 H new ATOM 0 HB3 LYS A 39 -8.962 -1.699 -10.340 1.00 12.34 H new ATOM 0 HG2 LYS A 39 -7.754 0.378 -10.720 1.00 44.42 H new ATOM 0 HG3 LYS A 39 -6.215 -0.457 -10.784 1.00 44.42 H new ATOM 0 HD2 LYS A 39 -7.074 -1.720 -12.839 1.00 71.53 H new ATOM 0 HD3 LYS A 39 -8.495 -0.696 -12.809 1.00 71.53 H new ATOM 0 HE2 LYS A 39 -7.125 1.311 -13.176 1.00 73.05 H new ATOM 0 HE3 LYS A 39 -5.649 0.377 -13.036 1.00 73.05 H new ATOM 0 HZ1 LYS A 39 -6.037 0.653 -15.322 1.00 61.11 H new ATOM 0 HZ2 LYS A 39 -6.493 -0.950 -14.999 1.00 61.11 H new ATOM 0 HZ3 LYS A 39 -7.680 0.247 -15.197 1.00 61.11 H new ATOM 671 N LYS A 40 -7.867 -4.176 -8.414 1.00 1.53 N ATOM 672 CA LYS A 40 -8.579 -5.411 -8.004 1.00 71.22 C ATOM 673 C LYS A 40 -8.528 -5.635 -6.476 1.00 72.10 C ATOM 674 O LYS A 40 -9.455 -6.220 -5.900 1.00 52.41 O ATOM 675 CB LYS A 40 -8.035 -6.656 -8.763 1.00 4.43 C ATOM 676 CG LYS A 40 -6.590 -7.066 -8.416 1.00 34.24 C ATOM 677 CD LYS A 40 -6.078 -8.276 -9.227 1.00 62.03 C ATOM 678 CE LYS A 40 -6.854 -9.570 -8.937 1.00 34.10 C ATOM 679 NZ LYS A 40 -6.809 -9.949 -7.499 1.00 35.02 N ATOM 0 H LYS A 40 -7.048 -4.349 -8.997 1.00 1.53 H new ATOM 0 HA LYS A 40 -9.625 -5.275 -8.277 1.00 71.22 H new ATOM 0 HB2 LYS A 40 -8.693 -7.501 -8.558 1.00 4.43 H new ATOM 0 HB3 LYS A 40 -8.091 -6.460 -9.834 1.00 4.43 H new ATOM 0 HG2 LYS A 40 -5.929 -6.217 -8.590 1.00 34.24 H new ATOM 0 HG3 LYS A 40 -6.534 -7.302 -7.353 1.00 34.24 H new ATOM 0 HD2 LYS A 40 -6.148 -8.048 -10.291 1.00 62.03 H new ATOM 0 HD3 LYS A 40 -5.023 -8.435 -9.004 1.00 62.03 H new ATOM 0 HE2 LYS A 40 -7.892 -9.444 -9.244 1.00 34.10 H new ATOM 0 HE3 LYS A 40 -6.440 -10.381 -9.537 1.00 34.10 H new ATOM 0 HZ1 LYS A 40 -7.228 -10.893 -7.375 1.00 35.02 H new ATOM 0 HZ2 LYS A 40 -5.821 -9.964 -7.175 1.00 35.02 H new ATOM 0 HZ3 LYS A 40 -7.347 -9.256 -6.940 1.00 35.02 H new ATOM 693 N TYR A 41 -7.432 -5.177 -5.835 1.00 75.01 N ATOM 694 CA TYR A 41 -7.303 -5.212 -4.366 1.00 14.32 C ATOM 695 C TYR A 41 -8.222 -4.165 -3.719 1.00 4.14 C ATOM 696 O TYR A 41 -8.853 -4.441 -2.699 1.00 52.31 O ATOM 697 CB TYR A 41 -5.837 -5.008 -3.919 1.00 62.40 C ATOM 698 CG TYR A 41 -4.883 -6.141 -4.350 1.00 73.14 C ATOM 699 CD1 TYR A 41 -5.271 -7.488 -4.290 1.00 25.03 C ATOM 700 CD2 TYR A 41 -3.603 -5.863 -4.828 1.00 60.31 C ATOM 701 CE1 TYR A 41 -4.410 -8.499 -4.679 1.00 44.43 C ATOM 702 CE2 TYR A 41 -2.743 -6.870 -5.216 1.00 44.40 C ATOM 703 CZ TYR A 41 -3.156 -8.180 -5.150 1.00 35.42 C ATOM 704 OH TYR A 41 -2.298 -9.181 -5.545 1.00 4.32 O ATOM 0 H TYR A 41 -6.624 -4.779 -6.314 1.00 75.01 H new ATOM 0 HA TYR A 41 -7.613 -6.201 -4.029 1.00 14.32 H new ATOM 0 HB2 TYR A 41 -5.472 -4.065 -4.327 1.00 62.40 H new ATOM 0 HB3 TYR A 41 -5.809 -4.917 -2.833 1.00 62.40 H new ATOM 0 HD1 TYR A 41 -6.259 -7.740 -3.934 1.00 25.03 H new ATOM 0 HD2 TYR A 41 -3.277 -4.836 -4.896 1.00 60.31 H new ATOM 0 HE1 TYR A 41 -4.720 -9.532 -4.614 1.00 44.43 H new ATOM 0 HE2 TYR A 41 -1.751 -6.631 -5.570 1.00 44.40 H new ATOM 0 HH TYR A 41 -1.374 -8.860 -5.490 1.00 4.32 H new ATOM 714 N LEU A 42 -8.305 -2.963 -4.323 1.00 63.33 N ATOM 715 CA LEU A 42 -9.250 -1.922 -3.865 1.00 2.34 C ATOM 716 C LEU A 42 -10.719 -2.391 -3.999 1.00 5.22 C ATOM 717 O LEU A 42 -11.538 -2.063 -3.151 1.00 42.12 O ATOM 718 CB LEU A 42 -9.041 -0.587 -4.623 1.00 14.31 C ATOM 719 CG LEU A 42 -7.728 0.197 -4.311 1.00 44.12 C ATOM 720 CD1 LEU A 42 -7.619 1.447 -5.207 1.00 42.23 C ATOM 721 CD2 LEU A 42 -7.629 0.570 -2.811 1.00 41.24 C ATOM 0 H LEU A 42 -7.735 -2.689 -5.123 1.00 63.33 H new ATOM 0 HA LEU A 42 -9.041 -1.749 -2.809 1.00 2.34 H new ATOM 0 HB2 LEU A 42 -9.067 -0.795 -5.693 1.00 14.31 H new ATOM 0 HB3 LEU A 42 -9.887 0.065 -4.404 1.00 14.31 H new ATOM 0 HG LEU A 42 -6.886 -0.458 -4.534 1.00 44.12 H new ATOM 0 HD11 LEU A 42 -6.698 1.981 -4.976 1.00 42.23 H new ATOM 0 HD12 LEU A 42 -7.610 1.144 -6.254 1.00 42.23 H new ATOM 0 HD13 LEU A 42 -8.472 2.100 -5.026 1.00 42.23 H new ATOM 0 HD21 LEU A 42 -6.702 1.115 -2.632 1.00 41.24 H new ATOM 0 HD22 LEU A 42 -8.477 1.197 -2.535 1.00 41.24 H new ATOM 0 HD23 LEU A 42 -7.638 -0.338 -2.209 1.00 41.24 H new ATOM 733 N GLU A 43 -11.033 -3.165 -5.062 1.00 50.33 N ATOM 734 CA GLU A 43 -12.380 -3.765 -5.264 1.00 55.34 C ATOM 735 C GLU A 43 -12.711 -4.767 -4.139 1.00 52.05 C ATOM 736 O GLU A 43 -13.828 -4.777 -3.602 1.00 55.41 O ATOM 737 CB GLU A 43 -12.479 -4.478 -6.634 1.00 13.25 C ATOM 738 CG GLU A 43 -12.187 -3.585 -7.853 1.00 21.52 C ATOM 739 CD GLU A 43 -12.458 -4.302 -9.177 1.00 24.52 C ATOM 740 OE1 GLU A 43 -11.566 -5.017 -9.674 1.00 31.33 O ATOM 741 OE2 GLU A 43 -13.583 -4.186 -9.706 1.00 54.23 O ATOM 0 H GLU A 43 -10.368 -3.393 -5.801 1.00 50.33 H new ATOM 0 HA GLU A 43 -13.103 -2.949 -5.241 1.00 55.34 H new ATOM 0 HB2 GLU A 43 -11.783 -5.317 -6.642 1.00 13.25 H new ATOM 0 HB3 GLU A 43 -13.481 -4.894 -6.739 1.00 13.25 H new ATOM 0 HG2 GLU A 43 -12.801 -2.686 -7.797 1.00 21.52 H new ATOM 0 HG3 GLU A 43 -11.146 -3.263 -7.823 1.00 21.52 H new ATOM 748 N GLU A 44 -11.696 -5.584 -3.797 1.00 41.13 N ATOM 749 CA GLU A 44 -11.718 -6.523 -2.657 1.00 72.24 C ATOM 750 C GLU A 44 -12.041 -5.767 -1.349 1.00 44.45 C ATOM 751 O GLU A 44 -12.699 -6.294 -0.451 1.00 43.14 O ATOM 752 CB GLU A 44 -10.324 -7.210 -2.569 1.00 0.21 C ATOM 753 CG GLU A 44 -10.138 -8.220 -1.426 1.00 2.32 C ATOM 754 CD GLU A 44 -8.671 -8.646 -1.242 1.00 55.11 C ATOM 755 OE1 GLU A 44 -8.159 -9.451 -2.049 1.00 55.24 O ATOM 756 OE2 GLU A 44 -8.025 -8.180 -0.284 1.00 45.12 O ATOM 0 H GLU A 44 -10.819 -5.611 -4.316 1.00 41.13 H new ATOM 0 HA GLU A 44 -12.492 -7.277 -2.802 1.00 72.24 H new ATOM 0 HB2 GLU A 44 -10.133 -7.721 -3.513 1.00 0.21 H new ATOM 0 HB3 GLU A 44 -9.565 -6.434 -2.468 1.00 0.21 H new ATOM 0 HG2 GLU A 44 -10.504 -7.783 -0.497 1.00 2.32 H new ATOM 0 HG3 GLU A 44 -10.746 -9.103 -1.624 1.00 2.32 H new ATOM 763 N PHE A 45 -11.551 -4.520 -1.263 1.00 12.14 N ATOM 764 CA PHE A 45 -11.807 -3.622 -0.124 1.00 45.55 C ATOM 765 C PHE A 45 -13.164 -2.879 -0.238 1.00 32.23 C ATOM 766 O PHE A 45 -13.737 -2.502 0.782 1.00 13.12 O ATOM 767 CB PHE A 45 -10.633 -2.608 0.011 1.00 22.02 C ATOM 768 CG PHE A 45 -9.232 -3.238 0.138 1.00 2.21 C ATOM 769 CD1 PHE A 45 -9.045 -4.541 0.630 1.00 2.22 C ATOM 770 CD2 PHE A 45 -8.100 -2.524 -0.255 1.00 63.33 C ATOM 771 CE1 PHE A 45 -7.780 -5.096 0.706 1.00 73.54 C ATOM 772 CE2 PHE A 45 -6.840 -3.086 -0.177 1.00 41.20 C ATOM 773 CZ PHE A 45 -6.680 -4.368 0.307 1.00 44.23 C ATOM 0 H PHE A 45 -10.963 -4.104 -1.985 1.00 12.14 H new ATOM 0 HA PHE A 45 -11.870 -4.237 0.774 1.00 45.55 H new ATOM 0 HB2 PHE A 45 -10.641 -1.950 -0.858 1.00 22.02 H new ATOM 0 HB3 PHE A 45 -10.813 -1.983 0.885 1.00 22.02 H new ATOM 0 HD1 PHE A 45 -9.900 -5.117 0.953 1.00 2.22 H new ATOM 0 HD2 PHE A 45 -8.210 -1.516 -0.626 1.00 63.33 H new ATOM 0 HE1 PHE A 45 -7.654 -6.102 1.079 1.00 73.54 H new ATOM 0 HE2 PHE A 45 -5.977 -2.520 -0.496 1.00 41.20 H new ATOM 0 HZ PHE A 45 -5.693 -4.801 0.373 1.00 44.23 H new ATOM 783 N ARG A 46 -13.674 -2.666 -1.476 1.00 13.20 N ATOM 784 CA ARG A 46 -14.951 -1.924 -1.710 1.00 22.20 C ATOM 785 C ARG A 46 -16.174 -2.720 -1.228 1.00 30.55 C ATOM 786 O ARG A 46 -17.127 -2.142 -0.689 1.00 74.45 O ATOM 787 CB ARG A 46 -15.143 -1.538 -3.205 1.00 52.34 C ATOM 788 CG ARG A 46 -14.187 -0.443 -3.716 1.00 25.12 C ATOM 789 CD ARG A 46 -14.507 0.002 -5.151 1.00 51.50 C ATOM 790 NE ARG A 46 -15.830 0.646 -5.264 1.00 51.11 N ATOM 791 CZ ARG A 46 -16.203 1.510 -6.222 1.00 44.51 C ATOM 792 NH1 ARG A 46 -15.369 1.875 -7.196 1.00 21.20 N ATOM 793 NH2 ARG A 46 -17.429 2.017 -6.189 1.00 24.34 N ATOM 0 H ARG A 46 -13.226 -2.995 -2.331 1.00 13.20 H new ATOM 0 HA ARG A 46 -14.873 -1.009 -1.124 1.00 22.20 H new ATOM 0 HB2 ARG A 46 -15.011 -2.431 -3.816 1.00 52.34 H new ATOM 0 HB3 ARG A 46 -16.170 -1.201 -3.350 1.00 52.34 H new ATOM 0 HG2 ARG A 46 -14.241 0.420 -3.052 1.00 25.12 H new ATOM 0 HG3 ARG A 46 -13.163 -0.813 -3.675 1.00 25.12 H new ATOM 0 HD2 ARG A 46 -13.739 0.696 -5.492 1.00 51.50 H new ATOM 0 HD3 ARG A 46 -14.471 -0.864 -5.812 1.00 51.50 H new ATOM 0 HE ARG A 46 -16.522 0.414 -4.552 1.00 51.11 H new ATOM 0 HH11 ARG A 46 -14.422 1.496 -7.226 1.00 21.20 H new ATOM 0 HH12 ARG A 46 -15.678 2.533 -7.912 1.00 21.20 H new ATOM 0 HH21 ARG A 46 -18.072 1.749 -5.444 1.00 24.34 H new ATOM 0 HH22 ARG A 46 -17.728 2.675 -6.909 1.00 24.34 H new ATOM 807 N LYS A 47 -16.122 -4.051 -1.400 1.00 0.34 N ATOM 808 CA LYS A 47 -17.220 -4.964 -0.990 1.00 72.51 C ATOM 809 C LYS A 47 -17.383 -5.006 0.549 1.00 33.15 C ATOM 810 O LYS A 47 -18.382 -5.519 1.063 1.00 22.44 O ATOM 811 CB LYS A 47 -16.957 -6.390 -1.541 1.00 70.40 C ATOM 812 CG LYS A 47 -15.674 -7.055 -0.996 1.00 44.22 C ATOM 813 CD LYS A 47 -15.395 -8.458 -1.586 1.00 41.21 C ATOM 814 CE LYS A 47 -16.515 -9.473 -1.293 1.00 54.33 C ATOM 815 NZ LYS A 47 -16.127 -10.863 -1.677 1.00 14.02 N ATOM 0 H LYS A 47 -15.327 -4.529 -1.823 1.00 0.34 H new ATOM 0 HA LYS A 47 -18.150 -4.580 -1.410 1.00 72.51 H new ATOM 0 HB2 LYS A 47 -17.811 -7.023 -1.300 1.00 70.40 H new ATOM 0 HB3 LYS A 47 -16.893 -6.341 -2.628 1.00 70.40 H new ATOM 0 HG2 LYS A 47 -14.823 -6.407 -1.207 1.00 44.22 H new ATOM 0 HG3 LYS A 47 -15.751 -7.136 0.088 1.00 44.22 H new ATOM 0 HD2 LYS A 47 -15.265 -8.372 -2.665 1.00 41.21 H new ATOM 0 HD3 LYS A 47 -14.456 -8.835 -1.181 1.00 41.21 H new ATOM 0 HE2 LYS A 47 -16.760 -9.446 -0.231 1.00 54.33 H new ATOM 0 HE3 LYS A 47 -17.416 -9.185 -1.836 1.00 54.33 H new ATOM 0 HZ1 LYS A 47 -16.910 -11.514 -1.463 1.00 14.02 H new ATOM 0 HZ2 LYS A 47 -15.918 -10.896 -2.695 1.00 14.02 H new ATOM 0 HZ3 LYS A 47 -15.283 -11.148 -1.141 1.00 14.02 H new ATOM 829 N GLU A 48 -16.382 -4.467 1.269 1.00 52.33 N ATOM 830 CA GLU A 48 -16.375 -4.388 2.739 1.00 42.33 C ATOM 831 C GLU A 48 -16.016 -2.969 3.209 1.00 21.43 C ATOM 832 O GLU A 48 -15.636 -2.779 4.376 1.00 51.31 O ATOM 833 CB GLU A 48 -15.362 -5.424 3.302 1.00 54.24 C ATOM 834 CG GLU A 48 -13.907 -5.223 2.818 1.00 60.50 C ATOM 835 CD GLU A 48 -12.928 -6.255 3.384 1.00 40.34 C ATOM 836 OE1 GLU A 48 -12.796 -6.335 4.622 1.00 20.43 O ATOM 837 OE2 GLU A 48 -12.276 -6.976 2.605 1.00 10.14 O ATOM 0 H GLU A 48 -15.546 -4.070 0.840 1.00 52.33 H new ATOM 0 HA GLU A 48 -17.372 -4.618 3.114 1.00 42.33 H new ATOM 0 HB2 GLU A 48 -15.380 -5.376 4.391 1.00 54.24 H new ATOM 0 HB3 GLU A 48 -15.690 -6.425 3.021 1.00 54.24 H new ATOM 0 HG2 GLU A 48 -13.885 -5.271 1.729 1.00 60.50 H new ATOM 0 HG3 GLU A 48 -13.573 -4.224 3.100 1.00 60.50 H new ATOM 844 N SER A 49 -16.189 -1.968 2.315 1.00 62.32 N ATOM 845 CA SER A 49 -15.740 -0.589 2.568 1.00 51.33 C ATOM 846 C SER A 49 -16.615 0.097 3.632 1.00 55.05 C ATOM 847 O SER A 49 -17.656 0.700 3.331 1.00 21.41 O ATOM 848 CB SER A 49 -15.692 0.243 1.267 1.00 40.54 C ATOM 849 OG SER A 49 -15.064 1.500 1.470 1.00 75.11 O ATOM 0 H SER A 49 -16.639 -2.096 1.409 1.00 62.32 H new ATOM 0 HA SER A 49 -14.723 -0.646 2.957 1.00 51.33 H new ATOM 0 HB2 SER A 49 -15.154 -0.313 0.499 1.00 40.54 H new ATOM 0 HB3 SER A 49 -16.705 0.398 0.897 1.00 40.54 H new ATOM 0 HG SER A 49 -15.050 1.999 0.626 1.00 75.11 H new ATOM 855 N GLN A 50 -16.191 -0.076 4.885 1.00 41.52 N ATOM 856 CA GLN A 50 -16.719 0.620 6.061 1.00 55.20 C ATOM 857 C GLN A 50 -15.647 0.568 7.160 1.00 22.45 C ATOM 858 O GLN A 50 -15.129 -0.517 7.471 1.00 1.33 O ATOM 859 CB GLN A 50 -18.101 0.021 6.504 1.00 52.33 C ATOM 860 CG GLN A 50 -18.197 -1.528 6.547 1.00 55.04 C ATOM 861 CD GLN A 50 -17.661 -2.183 7.821 1.00 31.02 C ATOM 862 OE1 GLN A 50 -17.744 -1.619 8.912 1.00 13.24 O ATOM 863 NE2 GLN A 50 -17.073 -3.356 7.692 1.00 23.50 N ATOM 0 H GLN A 50 -15.443 -0.729 5.118 1.00 41.52 H new ATOM 0 HA GLN A 50 -16.928 1.665 5.832 1.00 55.20 H new ATOM 0 HB2 GLN A 50 -18.339 0.406 7.496 1.00 52.33 H new ATOM 0 HB3 GLN A 50 -18.868 0.393 5.825 1.00 52.33 H new ATOM 0 HG2 GLN A 50 -19.242 -1.814 6.423 1.00 55.04 H new ATOM 0 HG3 GLN A 50 -17.653 -1.933 5.694 1.00 55.04 H new ATOM 0 HE21 GLN A 50 -17.018 -3.801 6.776 1.00 23.50 H new ATOM 0 HE22 GLN A 50 -16.673 -3.818 8.508 1.00 23.50 H new ATOM 872 N ASN A 51 -15.263 1.761 7.680 1.00 14.20 N ATOM 873 CA ASN A 51 -14.225 1.912 8.745 1.00 22.12 C ATOM 874 C ASN A 51 -12.863 1.383 8.244 1.00 1.54 C ATOM 875 O ASN A 51 -12.054 0.840 9.014 1.00 44.40 O ATOM 876 CB ASN A 51 -14.660 1.190 10.063 1.00 64.35 C ATOM 877 CG ASN A 51 -16.036 1.634 10.558 1.00 15.14 C ATOM 878 OD1 ASN A 51 -16.158 2.597 11.315 1.00 30.35 O ATOM 879 ND2 ASN A 51 -17.083 0.949 10.126 1.00 23.53 N ATOM 0 H ASN A 51 -15.661 2.649 7.376 1.00 14.20 H new ATOM 0 HA ASN A 51 -14.119 2.973 8.973 1.00 22.12 H new ATOM 0 HB2 ASN A 51 -14.670 0.113 9.895 1.00 64.35 H new ATOM 0 HB3 ASN A 51 -13.920 1.385 10.839 1.00 64.35 H new ATOM 0 HD21 ASN A 51 -18.023 1.215 10.420 1.00 23.53 H new ATOM 0 HD22 ASN A 51 -16.950 0.155 9.499 1.00 23.53 H new ATOM 886 N ILE A 52 -12.617 1.588 6.945 1.00 11.32 N ATOM 887 CA ILE A 52 -11.505 0.967 6.223 1.00 21.53 C ATOM 888 C ILE A 52 -10.484 2.032 5.766 1.00 74.21 C ATOM 889 O ILE A 52 -10.850 3.131 5.313 1.00 54.33 O ATOM 890 CB ILE A 52 -12.061 0.145 5.009 1.00 21.45 C ATOM 891 CG1 ILE A 52 -10.949 -0.702 4.320 1.00 41.53 C ATOM 892 CG2 ILE A 52 -12.783 1.053 3.984 1.00 34.13 C ATOM 893 CD1 ILE A 52 -11.484 -1.727 3.341 1.00 30.12 C ATOM 0 H ILE A 52 -13.191 2.196 6.361 1.00 11.32 H new ATOM 0 HA ILE A 52 -10.980 0.284 6.891 1.00 21.53 H new ATOM 0 HB ILE A 52 -12.798 -0.549 5.413 1.00 21.45 H new ATOM 0 HG12 ILE A 52 -10.267 -0.033 3.795 1.00 41.53 H new ATOM 0 HG13 ILE A 52 -10.367 -1.214 5.086 1.00 41.53 H new ATOM 0 HG21 ILE A 52 -13.154 0.446 3.158 1.00 34.13 H new ATOM 0 HG22 ILE A 52 -13.620 1.556 4.469 1.00 34.13 H new ATOM 0 HG23 ILE A 52 -12.085 1.798 3.602 1.00 34.13 H new ATOM 0 HD11 ILE A 52 -10.653 -2.278 2.901 1.00 30.12 H new ATOM 0 HD12 ILE A 52 -12.143 -2.420 3.864 1.00 30.12 H new ATOM 0 HD13 ILE A 52 -12.042 -1.221 2.553 1.00 30.12 H new ATOM 905 N LYS A 53 -9.206 1.691 5.918 1.00 32.21 N ATOM 906 CA LYS A 53 -8.064 2.559 5.634 1.00 12.42 C ATOM 907 C LYS A 53 -6.988 1.724 4.943 1.00 51.32 C ATOM 908 O LYS A 53 -6.664 0.626 5.400 1.00 34.33 O ATOM 909 CB LYS A 53 -7.524 3.161 6.959 1.00 3.45 C ATOM 910 CG LYS A 53 -8.436 4.243 7.597 1.00 43.02 C ATOM 911 CD LYS A 53 -8.229 4.401 9.115 1.00 23.23 C ATOM 912 CE LYS A 53 -6.787 4.717 9.535 1.00 11.01 C ATOM 913 NZ LYS A 53 -6.646 4.761 11.020 1.00 35.04 N ATOM 0 H LYS A 53 -8.927 0.769 6.254 1.00 32.21 H new ATOM 0 HA LYS A 53 -8.361 3.382 4.983 1.00 12.42 H new ATOM 0 HB2 LYS A 53 -7.382 2.354 7.678 1.00 3.45 H new ATOM 0 HB3 LYS A 53 -6.543 3.597 6.771 1.00 3.45 H new ATOM 0 HG2 LYS A 53 -8.247 5.200 7.111 1.00 43.02 H new ATOM 0 HG3 LYS A 53 -9.478 3.988 7.405 1.00 43.02 H new ATOM 0 HD2 LYS A 53 -8.881 5.196 9.476 1.00 23.23 H new ATOM 0 HD3 LYS A 53 -8.544 3.482 9.609 1.00 23.23 H new ATOM 0 HE2 LYS A 53 -6.115 3.962 9.127 1.00 11.01 H new ATOM 0 HE3 LYS A 53 -6.485 5.675 9.111 1.00 11.01 H new ATOM 0 HZ1 LYS A 53 -5.660 4.977 11.269 1.00 35.04 H new ATOM 0 HZ2 LYS A 53 -7.270 5.498 11.406 1.00 35.04 H new ATOM 0 HZ3 LYS A 53 -6.910 3.839 11.421 1.00 35.04 H new ATOM 927 N VAL A 54 -6.463 2.239 3.824 1.00 43.11 N ATOM 928 CA VAL A 54 -5.387 1.578 3.052 1.00 1.40 C ATOM 929 C VAL A 54 -4.155 2.509 2.953 1.00 64.31 C ATOM 930 O VAL A 54 -4.288 3.731 2.992 1.00 62.15 O ATOM 931 CB VAL A 54 -5.894 1.172 1.612 1.00 3.41 C ATOM 932 CG1 VAL A 54 -4.826 0.381 0.832 1.00 30.14 C ATOM 933 CG2 VAL A 54 -7.230 0.386 1.689 1.00 42.34 C ATOM 0 H VAL A 54 -6.768 3.126 3.423 1.00 43.11 H new ATOM 0 HA VAL A 54 -5.097 0.667 3.575 1.00 1.40 H new ATOM 0 HB VAL A 54 -6.079 2.094 1.062 1.00 3.41 H new ATOM 0 HG11 VAL A 54 -5.213 0.120 -0.153 1.00 30.14 H new ATOM 0 HG12 VAL A 54 -3.930 0.992 0.720 1.00 30.14 H new ATOM 0 HG13 VAL A 54 -4.578 -0.530 1.377 1.00 30.14 H new ATOM 0 HG21 VAL A 54 -7.554 0.120 0.683 1.00 42.34 H new ATOM 0 HG22 VAL A 54 -7.085 -0.521 2.275 1.00 42.34 H new ATOM 0 HG23 VAL A 54 -7.990 1.007 2.163 1.00 42.34 H new ATOM 943 N LEU A 55 -2.960 1.900 2.898 1.00 1.35 N ATOM 944 CA LEU A 55 -1.682 2.599 2.675 1.00 21.31 C ATOM 945 C LEU A 55 -0.974 1.975 1.461 1.00 23.03 C ATOM 946 O LEU A 55 -0.622 0.798 1.496 1.00 12.05 O ATOM 947 CB LEU A 55 -0.787 2.463 3.932 1.00 0.33 C ATOM 948 CG LEU A 55 0.648 3.074 3.817 1.00 42.32 C ATOM 949 CD1 LEU A 55 0.621 4.611 3.730 1.00 75.24 C ATOM 950 CD2 LEU A 55 1.549 2.582 4.959 1.00 43.41 C ATOM 0 H LEU A 55 -2.852 0.892 3.009 1.00 1.35 H new ATOM 0 HA LEU A 55 -1.869 3.656 2.486 1.00 21.31 H new ATOM 0 HB2 LEU A 55 -1.297 2.937 4.771 1.00 0.33 H new ATOM 0 HB3 LEU A 55 -0.692 1.404 4.174 1.00 0.33 H new ATOM 0 HG LEU A 55 1.077 2.720 2.880 1.00 42.32 H new ATOM 0 HD11 LEU A 55 1.640 4.989 3.652 1.00 75.24 H new ATOM 0 HD12 LEU A 55 0.052 4.916 2.851 1.00 75.24 H new ATOM 0 HD13 LEU A 55 0.151 5.018 4.625 1.00 75.24 H new ATOM 0 HD21 LEU A 55 2.541 3.022 4.855 1.00 43.41 H new ATOM 0 HD22 LEU A 55 1.119 2.879 5.916 1.00 43.41 H new ATOM 0 HD23 LEU A 55 1.628 1.496 4.918 1.00 43.41 H new ATOM 962 N ILE A 56 -0.758 2.773 0.411 1.00 44.21 N ATOM 963 CA ILE A 56 -0.126 2.310 -0.837 1.00 20.11 C ATOM 964 C ILE A 56 1.328 2.826 -0.911 1.00 30.43 C ATOM 965 O ILE A 56 1.545 4.034 -0.988 1.00 4.03 O ATOM 966 CB ILE A 56 -0.932 2.791 -2.107 1.00 14.54 C ATOM 967 CG1 ILE A 56 -2.423 2.331 -2.017 1.00 64.35 C ATOM 968 CG2 ILE A 56 -0.270 2.271 -3.409 1.00 25.21 C ATOM 969 CD1 ILE A 56 -3.320 2.845 -3.127 1.00 1.21 C ATOM 0 H ILE A 56 -1.015 3.760 0.398 1.00 44.21 H new ATOM 0 HA ILE A 56 -0.128 1.220 -0.831 1.00 20.11 H new ATOM 0 HB ILE A 56 -0.913 3.881 -2.133 1.00 14.54 H new ATOM 0 HG12 ILE A 56 -2.452 1.241 -2.022 1.00 64.35 H new ATOM 0 HG13 ILE A 56 -2.831 2.657 -1.060 1.00 64.35 H new ATOM 0 HG21 ILE A 56 -0.842 2.615 -4.271 1.00 25.21 H new ATOM 0 HG22 ILE A 56 0.749 2.651 -3.476 1.00 25.21 H new ATOM 0 HG23 ILE A 56 -0.251 1.181 -3.397 1.00 25.21 H new ATOM 0 HD11 ILE A 56 -4.333 2.472 -2.978 1.00 1.21 H new ATOM 0 HD12 ILE A 56 -3.328 3.935 -3.113 1.00 1.21 H new ATOM 0 HD13 ILE A 56 -2.944 2.497 -4.089 1.00 1.21 H new ATOM 981 N LEU A 57 2.312 1.898 -0.874 1.00 74.44 N ATOM 982 CA LEU A 57 3.748 2.227 -1.006 1.00 1.41 C ATOM 983 C LEU A 57 4.184 1.899 -2.436 1.00 44.32 C ATOM 984 O LEU A 57 4.214 0.726 -2.817 1.00 23.22 O ATOM 985 CB LEU A 57 4.630 1.417 0.002 1.00 74.01 C ATOM 986 CG LEU A 57 4.345 1.608 1.532 1.00 62.54 C ATOM 987 CD1 LEU A 57 4.235 3.096 1.910 1.00 41.24 C ATOM 988 CD2 LEU A 57 3.109 0.803 1.995 1.00 14.22 C ATOM 0 H LEU A 57 2.132 0.901 -0.752 1.00 74.44 H new ATOM 0 HA LEU A 57 3.884 3.285 -0.783 1.00 1.41 H new ATOM 0 HB2 LEU A 57 4.519 0.358 -0.231 1.00 74.01 H new ATOM 0 HB3 LEU A 57 5.673 1.676 -0.180 1.00 74.01 H new ATOM 0 HG LEU A 57 5.204 1.204 2.069 1.00 62.54 H new ATOM 0 HD11 LEU A 57 4.037 3.186 2.978 1.00 41.24 H new ATOM 0 HD12 LEU A 57 5.170 3.602 1.670 1.00 41.24 H new ATOM 0 HD13 LEU A 57 3.420 3.554 1.350 1.00 41.24 H new ATOM 0 HD21 LEU A 57 2.948 0.964 3.061 1.00 14.22 H new ATOM 0 HD22 LEU A 57 2.231 1.134 1.441 1.00 14.22 H new ATOM 0 HD23 LEU A 57 3.276 -0.258 1.810 1.00 14.22 H new ATOM 1000 N VAL A 58 4.526 2.929 -3.209 1.00 34.13 N ATOM 1001 CA VAL A 58 4.917 2.779 -4.624 1.00 43.24 C ATOM 1002 C VAL A 58 6.431 2.975 -4.775 1.00 12.23 C ATOM 1003 O VAL A 58 7.049 3.674 -3.977 1.00 65.35 O ATOM 1004 CB VAL A 58 4.144 3.803 -5.529 1.00 63.41 C ATOM 1005 CG1 VAL A 58 2.617 3.712 -5.304 1.00 45.23 C ATOM 1006 CG2 VAL A 58 4.640 5.247 -5.324 1.00 51.22 C ATOM 0 H VAL A 58 4.542 3.894 -2.879 1.00 34.13 H new ATOM 0 HA VAL A 58 4.655 1.772 -4.948 1.00 43.24 H new ATOM 0 HB VAL A 58 4.354 3.529 -6.563 1.00 63.41 H new ATOM 0 HG11 VAL A 58 2.111 4.434 -5.945 1.00 45.23 H new ATOM 0 HG12 VAL A 58 2.273 2.707 -5.547 1.00 45.23 H new ATOM 0 HG13 VAL A 58 2.389 3.931 -4.261 1.00 45.23 H new ATOM 0 HG21 VAL A 58 4.077 5.920 -5.970 1.00 51.22 H new ATOM 0 HG22 VAL A 58 4.495 5.537 -4.283 1.00 51.22 H new ATOM 0 HG23 VAL A 58 5.699 5.307 -5.573 1.00 51.22 H new ATOM 1016 N SER A 59 7.015 2.373 -5.810 1.00 2.25 N ATOM 1017 CA SER A 59 8.466 2.484 -6.089 1.00 64.22 C ATOM 1018 C SER A 59 8.774 3.633 -7.070 1.00 60.24 C ATOM 1019 O SER A 59 9.923 4.078 -7.166 1.00 65.35 O ATOM 1020 CB SER A 59 8.991 1.143 -6.648 1.00 12.21 C ATOM 1021 OG SER A 59 8.759 0.091 -5.730 1.00 32.13 O ATOM 0 H SER A 59 6.509 1.796 -6.481 1.00 2.25 H new ATOM 0 HA SER A 59 8.974 2.713 -5.152 1.00 64.22 H new ATOM 0 HB2 SER A 59 8.499 0.921 -7.595 1.00 12.21 H new ATOM 0 HB3 SER A 59 10.058 1.223 -6.855 1.00 12.21 H new ATOM 0 HG SER A 59 7.798 -0.091 -5.677 1.00 32.13 H new ATOM 1027 N ASN A 60 7.742 4.114 -7.799 1.00 24.52 N ATOM 1028 CA ASN A 60 7.912 5.108 -8.898 1.00 62.21 C ATOM 1029 C ASN A 60 6.913 6.276 -8.760 1.00 2.15 C ATOM 1030 O ASN A 60 5.808 6.103 -8.234 1.00 60.43 O ATOM 1031 CB ASN A 60 7.737 4.420 -10.284 1.00 51.33 C ATOM 1032 CG ASN A 60 8.733 3.278 -10.522 1.00 55.31 C ATOM 1033 OD1 ASN A 60 8.389 2.081 -10.077 1.00 20.15 O flip ATOM 1034 ND2 ASN A 60 9.817 3.477 -11.072 1.00 63.15 N flip ATOM 0 H ASN A 60 6.774 3.831 -7.649 1.00 24.52 H new ATOM 0 HA ASN A 60 8.921 5.514 -8.824 1.00 62.21 H new ATOM 0 HB2 ASN A 60 6.722 4.031 -10.364 1.00 51.33 H new ATOM 0 HB3 ASN A 60 7.855 5.166 -11.070 1.00 51.33 H new ATOM 0 HD21 ASN A 60 10.056 4.411 -11.406 1.00 63.15 H new ATOM 0 HD22 ASN A 60 10.476 2.708 -11.194 1.00 63.15 H new ATOM 1041 N ASP A 61 7.324 7.465 -9.261 1.00 53.22 N ATOM 1042 CA ASP A 61 6.526 8.718 -9.196 1.00 2.13 C ATOM 1043 C ASP A 61 5.231 8.633 -10.025 1.00 43.23 C ATOM 1044 O ASP A 61 4.222 9.262 -9.676 1.00 54.15 O ATOM 1045 CB ASP A 61 7.391 9.921 -9.666 1.00 60.45 C ATOM 1046 CG ASP A 61 6.747 11.293 -9.363 1.00 33.53 C ATOM 1047 OD1 ASP A 61 6.879 11.774 -8.214 1.00 41.12 O ATOM 1048 OD2 ASP A 61 6.120 11.900 -10.266 1.00 2.33 O ATOM 0 H ASP A 61 8.224 7.585 -9.725 1.00 53.22 H new ATOM 0 HA ASP A 61 6.230 8.864 -8.157 1.00 2.13 H new ATOM 0 HB2 ASP A 61 8.366 9.870 -9.181 1.00 60.45 H new ATOM 0 HB3 ASP A 61 7.564 9.838 -10.739 1.00 60.45 H new ATOM 1053 N GLU A 62 5.269 7.856 -11.127 1.00 24.23 N ATOM 1054 CA GLU A 62 4.082 7.626 -11.979 1.00 23.51 C ATOM 1055 C GLU A 62 3.028 6.798 -11.218 1.00 35.31 C ATOM 1056 O GLU A 62 1.829 7.081 -11.297 1.00 22.44 O ATOM 1057 CB GLU A 62 4.452 6.940 -13.324 1.00 43.10 C ATOM 1058 CG GLU A 62 5.173 5.579 -13.203 1.00 1.23 C ATOM 1059 CD GLU A 62 5.392 4.900 -14.563 1.00 72.31 C ATOM 1060 OE1 GLU A 62 6.389 5.213 -15.249 1.00 45.10 O ATOM 1061 OE2 GLU A 62 4.557 4.061 -14.960 1.00 54.32 O ATOM 0 H GLU A 62 6.110 7.376 -11.449 1.00 24.23 H new ATOM 0 HA GLU A 62 3.659 8.601 -12.221 1.00 23.51 H new ATOM 0 HB2 GLU A 62 3.539 6.797 -13.902 1.00 43.10 H new ATOM 0 HB3 GLU A 62 5.087 7.618 -13.894 1.00 43.10 H new ATOM 0 HG2 GLU A 62 6.137 5.725 -12.715 1.00 1.23 H new ATOM 0 HG3 GLU A 62 4.589 4.919 -12.562 1.00 1.23 H new ATOM 1068 N GLU A 63 3.512 5.805 -10.442 1.00 63.42 N ATOM 1069 CA GLU A 63 2.664 4.925 -9.628 1.00 12.21 C ATOM 1070 C GLU A 63 2.062 5.706 -8.454 1.00 75.33 C ATOM 1071 O GLU A 63 0.968 5.388 -8.012 1.00 52.31 O ATOM 1072 CB GLU A 63 3.482 3.728 -9.095 1.00 40.24 C ATOM 1073 CG GLU A 63 4.199 2.896 -10.175 1.00 2.34 C ATOM 1074 CD GLU A 63 5.129 1.803 -9.603 1.00 34.22 C ATOM 1075 OE1 GLU A 63 5.671 1.977 -8.480 1.00 11.53 O ATOM 1076 OE2 GLU A 63 5.360 0.785 -10.291 1.00 33.23 O ATOM 0 H GLU A 63 4.507 5.595 -10.366 1.00 63.42 H new ATOM 0 HA GLU A 63 1.857 4.548 -10.256 1.00 12.21 H new ATOM 0 HB2 GLU A 63 4.226 4.101 -8.391 1.00 40.24 H new ATOM 0 HB3 GLU A 63 2.815 3.072 -8.536 1.00 40.24 H new ATOM 0 HG2 GLU A 63 3.452 2.426 -10.815 1.00 2.34 H new ATOM 0 HG3 GLU A 63 4.784 3.564 -10.807 1.00 2.34 H new ATOM 1083 N LEU A 64 2.813 6.711 -7.945 1.00 65.42 N ATOM 1084 CA LEU A 64 2.352 7.601 -6.860 1.00 53.21 C ATOM 1085 C LEU A 64 1.048 8.308 -7.255 1.00 40.22 C ATOM 1086 O LEU A 64 -0.003 8.083 -6.638 1.00 51.21 O ATOM 1087 CB LEU A 64 3.449 8.655 -6.518 1.00 1.42 C ATOM 1088 CG LEU A 64 3.075 9.730 -5.441 1.00 43.12 C ATOM 1089 CD1 LEU A 64 2.821 9.093 -4.058 1.00 21.12 C ATOM 1090 CD2 LEU A 64 4.151 10.833 -5.369 1.00 43.35 C ATOM 0 H LEU A 64 3.754 6.925 -8.276 1.00 65.42 H new ATOM 0 HA LEU A 64 2.162 6.991 -5.977 1.00 53.21 H new ATOM 0 HB2 LEU A 64 4.337 8.124 -6.176 1.00 1.42 H new ATOM 0 HB3 LEU A 64 3.722 9.174 -7.437 1.00 1.42 H new ATOM 0 HG LEU A 64 2.139 10.195 -5.751 1.00 43.12 H new ATOM 0 HD11 LEU A 64 2.565 9.872 -3.340 1.00 21.12 H new ATOM 0 HD12 LEU A 64 1.998 8.382 -4.131 1.00 21.12 H new ATOM 0 HD13 LEU A 64 3.720 8.575 -3.725 1.00 21.12 H new ATOM 0 HD21 LEU A 64 3.869 11.568 -4.615 1.00 43.35 H new ATOM 0 HD22 LEU A 64 5.110 10.389 -5.103 1.00 43.35 H new ATOM 0 HD23 LEU A 64 4.235 11.323 -6.339 1.00 43.35 H new ATOM 1102 N ASP A 65 1.134 9.115 -8.332 1.00 41.44 N ATOM 1103 CA ASP A 65 0.022 9.942 -8.821 1.00 70.20 C ATOM 1104 C ASP A 65 -1.155 9.060 -9.275 1.00 34.13 C ATOM 1105 O ASP A 65 -2.314 9.380 -8.999 1.00 61.21 O ATOM 1106 CB ASP A 65 0.509 10.851 -9.986 1.00 75.31 C ATOM 1107 CG ASP A 65 -0.531 11.918 -10.398 1.00 14.10 C ATOM 1108 OD1 ASP A 65 -0.578 12.990 -9.749 1.00 14.04 O ATOM 1109 OD2 ASP A 65 -1.294 11.701 -11.364 1.00 25.23 O ATOM 0 H ASP A 65 1.984 9.209 -8.888 1.00 41.44 H new ATOM 0 HA ASP A 65 -0.328 10.575 -8.005 1.00 70.20 H new ATOM 0 HB2 ASP A 65 1.433 11.348 -9.689 1.00 75.31 H new ATOM 0 HB3 ASP A 65 0.745 10.229 -10.850 1.00 75.31 H new ATOM 1114 N LYS A 66 -0.825 7.915 -9.917 1.00 54.42 N ATOM 1115 CA LYS A 66 -1.827 6.997 -10.477 1.00 1.51 C ATOM 1116 C LYS A 66 -2.590 6.248 -9.370 1.00 61.22 C ATOM 1117 O LYS A 66 -3.806 6.100 -9.459 1.00 41.10 O ATOM 1118 CB LYS A 66 -1.177 5.992 -11.470 1.00 30.43 C ATOM 1119 CG LYS A 66 -2.190 5.158 -12.293 1.00 30.21 C ATOM 1120 CD LYS A 66 -3.183 6.060 -13.077 1.00 51.31 C ATOM 1121 CE LYS A 66 -4.160 5.277 -13.960 1.00 44.23 C ATOM 1122 NZ LYS A 66 -3.472 4.604 -15.088 1.00 55.32 N ATOM 0 H LYS A 66 0.138 7.609 -10.057 1.00 54.42 H new ATOM 0 HA LYS A 66 -2.547 7.603 -11.027 1.00 1.51 H new ATOM 0 HB2 LYS A 66 -0.536 6.543 -12.158 1.00 30.43 H new ATOM 0 HB3 LYS A 66 -0.535 5.312 -10.911 1.00 30.43 H new ATOM 0 HG2 LYS A 66 -1.651 4.519 -12.992 1.00 30.21 H new ATOM 0 HG3 LYS A 66 -2.747 4.501 -11.625 1.00 30.21 H new ATOM 0 HD2 LYS A 66 -3.751 6.662 -12.368 1.00 51.31 H new ATOM 0 HD3 LYS A 66 -2.617 6.752 -13.701 1.00 51.31 H new ATOM 0 HE2 LYS A 66 -4.678 4.533 -13.356 1.00 44.23 H new ATOM 0 HE3 LYS A 66 -4.919 5.955 -14.351 1.00 44.23 H new ATOM 0 HZ1 LYS A 66 -4.014 3.764 -15.374 1.00 55.32 H new ATOM 0 HZ2 LYS A 66 -3.400 5.260 -15.892 1.00 55.32 H new ATOM 0 HZ3 LYS A 66 -2.518 4.316 -14.790 1.00 55.32 H new ATOM 1136 N ALA A 67 -1.879 5.798 -8.322 1.00 34.54 N ATOM 1137 CA ALA A 67 -2.501 5.086 -7.189 1.00 34.14 C ATOM 1138 C ALA A 67 -3.371 6.041 -6.356 1.00 12.35 C ATOM 1139 O ALA A 67 -4.333 5.597 -5.724 1.00 42.54 O ATOM 1140 CB ALA A 67 -1.450 4.399 -6.315 1.00 72.45 C ATOM 0 H ALA A 67 -0.869 5.915 -8.235 1.00 34.54 H new ATOM 0 HA ALA A 67 -3.145 4.308 -7.599 1.00 34.14 H new ATOM 0 HB1 ALA A 67 -1.943 3.884 -5.490 1.00 72.45 H new ATOM 0 HB2 ALA A 67 -0.895 3.677 -6.914 1.00 72.45 H new ATOM 0 HB3 ALA A 67 -0.763 5.146 -5.918 1.00 72.45 H new ATOM 1146 N LYS A 68 -3.013 7.353 -6.354 1.00 74.42 N ATOM 1147 CA LYS A 68 -3.888 8.414 -5.799 1.00 44.13 C ATOM 1148 C LYS A 68 -5.197 8.475 -6.594 1.00 41.10 C ATOM 1149 O LYS A 68 -6.281 8.473 -6.011 1.00 14.31 O ATOM 1150 CB LYS A 68 -3.215 9.815 -5.832 1.00 43.21 C ATOM 1151 CG LYS A 68 -2.006 9.959 -4.898 1.00 41.13 C ATOM 1152 CD LYS A 68 -1.435 11.389 -4.871 1.00 71.10 C ATOM 1153 CE LYS A 68 -0.214 11.523 -3.953 1.00 55.53 C ATOM 1154 NZ LYS A 68 0.252 12.934 -3.871 1.00 71.43 N ATOM 0 H LYS A 68 -2.129 7.697 -6.729 1.00 74.42 H new ATOM 0 HA LYS A 68 -4.080 8.157 -4.757 1.00 44.13 H new ATOM 0 HB2 LYS A 68 -2.898 10.028 -6.853 1.00 43.21 H new ATOM 0 HB3 LYS A 68 -3.957 10.568 -5.565 1.00 43.21 H new ATOM 0 HG2 LYS A 68 -2.297 9.671 -3.888 1.00 41.13 H new ATOM 0 HG3 LYS A 68 -1.225 9.267 -5.214 1.00 41.13 H new ATOM 0 HD2 LYS A 68 -1.157 11.684 -5.883 1.00 71.10 H new ATOM 0 HD3 LYS A 68 -2.211 12.079 -4.539 1.00 71.10 H new ATOM 0 HE2 LYS A 68 -0.466 11.163 -2.955 1.00 55.53 H new ATOM 0 HE3 LYS A 68 0.594 10.893 -4.325 1.00 55.53 H new ATOM 0 HZ1 LYS A 68 1.079 12.991 -3.243 1.00 71.43 H new ATOM 0 HZ2 LYS A 68 0.515 13.269 -4.820 1.00 71.43 H new ATOM 0 HZ3 LYS A 68 -0.512 13.530 -3.493 1.00 71.43 H new ATOM 1168 N GLU A 69 -5.060 8.487 -7.941 1.00 25.44 N ATOM 1169 CA GLU A 69 -6.202 8.545 -8.872 1.00 70.32 C ATOM 1170 C GLU A 69 -7.164 7.370 -8.615 1.00 71.31 C ATOM 1171 O GLU A 69 -8.333 7.594 -8.318 1.00 73.25 O ATOM 1172 CB GLU A 69 -5.726 8.564 -10.358 1.00 24.44 C ATOM 1173 CG GLU A 69 -4.956 9.837 -10.762 1.00 15.21 C ATOM 1174 CD GLU A 69 -4.574 9.866 -12.251 1.00 73.12 C ATOM 1175 OE1 GLU A 69 -5.432 10.252 -13.085 1.00 13.33 O ATOM 1176 OE2 GLU A 69 -3.436 9.483 -12.601 1.00 13.23 O ATOM 0 H GLU A 69 -4.154 8.457 -8.408 1.00 25.44 H new ATOM 0 HA GLU A 69 -6.738 9.476 -8.690 1.00 70.32 H new ATOM 0 HB2 GLU A 69 -5.089 7.697 -10.534 1.00 24.44 H new ATOM 0 HB3 GLU A 69 -6.595 8.458 -11.007 1.00 24.44 H new ATOM 0 HG2 GLU A 69 -5.566 10.711 -10.533 1.00 15.21 H new ATOM 0 HG3 GLU A 69 -4.051 9.913 -10.160 1.00 15.21 H new ATOM 1183 N LEU A 70 -6.606 6.140 -8.609 1.00 70.32 N ATOM 1184 CA LEU A 70 -7.373 4.884 -8.460 1.00 44.15 C ATOM 1185 C LEU A 70 -8.116 4.843 -7.108 1.00 25.41 C ATOM 1186 O LEU A 70 -9.326 4.594 -7.073 1.00 73.12 O ATOM 1187 CB LEU A 70 -6.425 3.650 -8.604 1.00 73.43 C ATOM 1188 CG LEU A 70 -5.638 3.539 -9.955 1.00 54.04 C ATOM 1189 CD1 LEU A 70 -4.709 2.306 -9.970 1.00 74.52 C ATOM 1190 CD2 LEU A 70 -6.586 3.542 -11.174 1.00 33.53 C ATOM 0 H LEU A 70 -5.602 5.990 -8.708 1.00 70.32 H new ATOM 0 HA LEU A 70 -8.120 4.846 -9.253 1.00 44.15 H new ATOM 0 HB2 LEU A 70 -5.703 3.675 -7.788 1.00 73.43 H new ATOM 0 HB3 LEU A 70 -7.019 2.745 -8.477 1.00 73.43 H new ATOM 0 HG LEU A 70 -5.009 4.426 -10.032 1.00 54.04 H new ATOM 0 HD11 LEU A 70 -4.179 2.261 -10.922 1.00 74.52 H new ATOM 0 HD12 LEU A 70 -3.988 2.384 -9.157 1.00 74.52 H new ATOM 0 HD13 LEU A 70 -5.303 1.401 -9.842 1.00 74.52 H new ATOM 0 HD21 LEU A 70 -6.001 3.464 -12.090 1.00 33.53 H new ATOM 0 HD22 LEU A 70 -7.269 2.695 -11.106 1.00 33.53 H new ATOM 0 HD23 LEU A 70 -7.158 4.469 -11.187 1.00 33.53 H new ATOM 1202 N ALA A 71 -7.379 5.135 -6.014 1.00 61.10 N ATOM 1203 CA ALA A 71 -7.912 5.128 -4.632 1.00 54.31 C ATOM 1204 C ALA A 71 -9.101 6.085 -4.457 1.00 44.02 C ATOM 1205 O ALA A 71 -10.099 5.747 -3.803 1.00 73.54 O ATOM 1206 CB ALA A 71 -6.795 5.494 -3.648 1.00 4.43 C ATOM 0 H ALA A 71 -6.391 5.384 -6.064 1.00 61.10 H new ATOM 0 HA ALA A 71 -8.277 4.122 -4.426 1.00 54.31 H new ATOM 0 HB1 ALA A 71 -7.189 5.488 -2.632 1.00 4.43 H new ATOM 0 HB2 ALA A 71 -5.987 4.767 -3.728 1.00 4.43 H new ATOM 0 HB3 ALA A 71 -6.414 6.488 -3.884 1.00 4.43 H new ATOM 1212 N GLN A 72 -8.967 7.281 -5.050 1.00 54.33 N ATOM 1213 CA GLN A 72 -9.985 8.338 -4.982 1.00 13.00 C ATOM 1214 C GLN A 72 -11.191 8.024 -5.885 1.00 41.32 C ATOM 1215 O GLN A 72 -12.321 8.394 -5.558 1.00 23.33 O ATOM 1216 CB GLN A 72 -9.346 9.707 -5.324 1.00 54.52 C ATOM 1217 CG GLN A 72 -8.262 10.139 -4.304 1.00 32.44 C ATOM 1218 CD GLN A 72 -7.524 11.428 -4.670 1.00 61.52 C ATOM 1219 OE1 GLN A 72 -8.078 12.323 -5.308 1.00 31.14 O ATOM 1220 NE2 GLN A 72 -6.263 11.532 -4.265 1.00 41.11 N ATOM 0 H GLN A 72 -8.144 7.543 -5.593 1.00 54.33 H new ATOM 0 HA GLN A 72 -10.369 8.385 -3.963 1.00 13.00 H new ATOM 0 HB2 GLN A 72 -8.902 9.657 -6.318 1.00 54.52 H new ATOM 0 HB3 GLN A 72 -10.126 10.467 -5.361 1.00 54.52 H new ATOM 0 HG2 GLN A 72 -8.730 10.268 -3.328 1.00 32.44 H new ATOM 0 HG3 GLN A 72 -7.534 9.334 -4.204 1.00 32.44 H new ATOM 0 HE21 GLN A 72 -5.832 10.772 -3.738 1.00 41.11 H new ATOM 0 HE22 GLN A 72 -5.725 12.371 -4.481 1.00 41.11 H new ATOM 1229 N LYS A 73 -10.964 7.313 -7.010 1.00 53.54 N ATOM 1230 CA LYS A 73 -12.072 6.842 -7.877 1.00 62.41 C ATOM 1231 C LYS A 73 -12.895 5.745 -7.163 1.00 41.04 C ATOM 1232 O LYS A 73 -14.086 5.584 -7.423 1.00 3.44 O ATOM 1233 CB LYS A 73 -11.558 6.329 -9.253 1.00 41.04 C ATOM 1234 CG LYS A 73 -10.811 7.366 -10.119 1.00 22.43 C ATOM 1235 CD LYS A 73 -11.596 8.673 -10.367 1.00 64.02 C ATOM 1236 CE LYS A 73 -12.925 8.459 -11.109 1.00 13.32 C ATOM 1237 NZ LYS A 73 -13.620 9.748 -11.379 1.00 54.23 N ATOM 0 H LYS A 73 -10.034 7.053 -7.339 1.00 53.54 H new ATOM 0 HA LYS A 73 -12.718 7.698 -8.069 1.00 62.41 H new ATOM 0 HB2 LYS A 73 -10.894 5.483 -9.079 1.00 41.04 H new ATOM 0 HB3 LYS A 73 -12.409 5.955 -9.821 1.00 41.04 H new ATOM 0 HG2 LYS A 73 -9.865 7.611 -9.636 1.00 22.43 H new ATOM 0 HG3 LYS A 73 -10.570 6.913 -11.081 1.00 22.43 H new ATOM 0 HD2 LYS A 73 -11.797 9.154 -9.410 1.00 64.02 H new ATOM 0 HD3 LYS A 73 -10.974 9.358 -10.943 1.00 64.02 H new ATOM 0 HE2 LYS A 73 -12.737 7.943 -12.051 1.00 13.32 H new ATOM 0 HE3 LYS A 73 -13.573 7.814 -10.516 1.00 13.32 H new ATOM 0 HZ1 LYS A 73 -14.512 9.563 -11.881 1.00 54.23 H new ATOM 0 HZ2 LYS A 73 -13.822 10.229 -10.479 1.00 54.23 H new ATOM 0 HZ3 LYS A 73 -13.012 10.354 -11.966 1.00 54.23 H new ATOM 1251 N MET A 74 -12.231 4.996 -6.260 1.00 62.14 N ATOM 1252 CA MET A 74 -12.891 4.015 -5.364 1.00 14.44 C ATOM 1253 C MET A 74 -13.479 4.715 -4.119 1.00 21.31 C ATOM 1254 O MET A 74 -14.255 4.106 -3.373 1.00 23.10 O ATOM 1255 CB MET A 74 -11.875 2.939 -4.898 1.00 12.14 C ATOM 1256 CG MET A 74 -11.176 2.170 -6.017 1.00 70.43 C ATOM 1257 SD MET A 74 -12.309 1.284 -7.098 1.00 54.12 S ATOM 1258 CE MET A 74 -11.213 0.058 -7.820 1.00 51.24 C ATOM 0 H MET A 74 -11.221 5.051 -6.128 1.00 62.14 H new ATOM 0 HA MET A 74 -13.697 3.543 -5.927 1.00 14.44 H new ATOM 0 HB2 MET A 74 -11.116 3.423 -4.283 1.00 12.14 H new ATOM 0 HB3 MET A 74 -12.395 2.225 -4.259 1.00 12.14 H new ATOM 0 HG2 MET A 74 -10.588 2.867 -6.614 1.00 70.43 H new ATOM 0 HG3 MET A 74 -10.477 1.459 -5.576 1.00 70.43 H new ATOM 0 HE1 MET A 74 -11.711 -0.425 -8.661 1.00 51.24 H new ATOM 0 HE2 MET A 74 -10.302 0.545 -8.168 1.00 51.24 H new ATOM 0 HE3 MET A 74 -10.960 -0.691 -7.070 1.00 51.24 H new ATOM 1268 N GLU A 75 -13.056 5.984 -3.909 1.00 33.32 N ATOM 1269 CA GLU A 75 -13.455 6.852 -2.773 1.00 2.15 C ATOM 1270 C GLU A 75 -13.098 6.272 -1.383 1.00 33.01 C ATOM 1271 O GLU A 75 -13.568 6.792 -0.367 1.00 52.33 O ATOM 1272 CB GLU A 75 -14.970 7.218 -2.867 1.00 31.12 C ATOM 1273 CG GLU A 75 -15.366 7.933 -4.175 1.00 14.24 C ATOM 1274 CD GLU A 75 -16.846 8.351 -4.226 1.00 55.55 C ATOM 1275 OE1 GLU A 75 -17.705 7.502 -4.561 1.00 41.21 O ATOM 1276 OE2 GLU A 75 -17.164 9.533 -3.938 1.00 31.52 O ATOM 0 H GLU A 75 -12.407 6.448 -4.545 1.00 33.32 H new ATOM 0 HA GLU A 75 -12.863 7.763 -2.864 1.00 2.15 H new ATOM 0 HB2 GLU A 75 -15.559 6.306 -2.771 1.00 31.12 H new ATOM 0 HB3 GLU A 75 -15.231 7.857 -2.023 1.00 31.12 H new ATOM 0 HG2 GLU A 75 -14.743 8.819 -4.298 1.00 14.24 H new ATOM 0 HG3 GLU A 75 -15.154 7.275 -5.017 1.00 14.24 H new ATOM 1283 N ILE A 76 -12.234 5.231 -1.338 1.00 0.25 N ATOM 1284 CA ILE A 76 -11.783 4.608 -0.070 1.00 51.21 C ATOM 1285 C ILE A 76 -10.777 5.557 0.631 1.00 4.30 C ATOM 1286 O ILE A 76 -10.011 6.260 -0.044 1.00 63.15 O ATOM 1287 CB ILE A 76 -11.113 3.190 -0.313 1.00 25.24 C ATOM 1288 CG1 ILE A 76 -12.036 2.251 -1.159 1.00 44.11 C ATOM 1289 CG2 ILE A 76 -10.741 2.500 1.032 1.00 41.40 C ATOM 1290 CD1 ILE A 76 -11.398 0.923 -1.555 1.00 11.41 C ATOM 0 H ILE A 76 -11.832 4.802 -2.172 1.00 0.25 H new ATOM 0 HA ILE A 76 -12.656 4.450 0.563 1.00 51.21 H new ATOM 0 HB ILE A 76 -10.198 3.367 -0.877 1.00 25.24 H new ATOM 0 HG12 ILE A 76 -12.944 2.048 -0.591 1.00 44.11 H new ATOM 0 HG13 ILE A 76 -12.337 2.779 -2.064 1.00 44.11 H new ATOM 0 HG21 ILE A 76 -10.284 1.531 0.830 1.00 41.40 H new ATOM 0 HG22 ILE A 76 -10.036 3.126 1.579 1.00 41.40 H new ATOM 0 HG23 ILE A 76 -11.641 2.359 1.630 1.00 41.40 H new ATOM 0 HD11 ILE A 76 -12.109 0.337 -2.138 1.00 11.41 H new ATOM 0 HD12 ILE A 76 -10.506 1.112 -2.153 1.00 11.41 H new ATOM 0 HD13 ILE A 76 -11.122 0.370 -0.657 1.00 11.41 H new ATOM 1302 N ASP A 77 -10.795 5.580 1.977 1.00 42.24 N ATOM 1303 CA ASP A 77 -9.895 6.417 2.788 1.00 41.12 C ATOM 1304 C ASP A 77 -8.460 5.834 2.745 1.00 44.30 C ATOM 1305 O ASP A 77 -8.140 4.890 3.470 1.00 53.05 O ATOM 1306 CB ASP A 77 -10.442 6.497 4.238 1.00 53.11 C ATOM 1307 CG ASP A 77 -9.706 7.511 5.126 1.00 60.34 C ATOM 1308 OD1 ASP A 77 -9.711 8.712 4.788 1.00 51.45 O ATOM 1309 OD2 ASP A 77 -9.142 7.124 6.169 1.00 53.15 O ATOM 0 H ASP A 77 -11.437 5.016 2.533 1.00 42.24 H new ATOM 0 HA ASP A 77 -9.852 7.429 2.385 1.00 41.12 H new ATOM 0 HB2 ASP A 77 -11.499 6.760 4.203 1.00 53.11 H new ATOM 0 HB3 ASP A 77 -10.374 5.510 4.697 1.00 53.11 H new ATOM 1314 N VAL A 78 -7.615 6.381 1.846 1.00 43.22 N ATOM 1315 CA VAL A 78 -6.291 5.803 1.492 1.00 34.21 C ATOM 1316 C VAL A 78 -5.186 6.877 1.513 1.00 13.33 C ATOM 1317 O VAL A 78 -5.408 7.991 1.070 1.00 64.34 O ATOM 1318 CB VAL A 78 -6.313 5.153 0.049 1.00 11.22 C ATOM 1319 CG1 VAL A 78 -4.945 4.542 -0.329 1.00 54.42 C ATOM 1320 CG2 VAL A 78 -7.435 4.101 -0.094 1.00 12.34 C ATOM 0 H VAL A 78 -7.828 7.240 1.340 1.00 43.22 H new ATOM 0 HA VAL A 78 -6.079 5.039 2.240 1.00 34.21 H new ATOM 0 HB VAL A 78 -6.523 5.963 -0.650 1.00 11.22 H new ATOM 0 HG11 VAL A 78 -5.004 4.107 -1.327 1.00 54.42 H new ATOM 0 HG12 VAL A 78 -4.183 5.321 -0.318 1.00 54.42 H new ATOM 0 HG13 VAL A 78 -4.682 3.766 0.390 1.00 54.42 H new ATOM 0 HG21 VAL A 78 -7.414 3.681 -1.099 1.00 12.34 H new ATOM 0 HG22 VAL A 78 -7.283 3.305 0.635 1.00 12.34 H new ATOM 0 HG23 VAL A 78 -8.401 4.574 0.081 1.00 12.34 H new ATOM 1330 N ARG A 79 -3.987 6.496 1.994 1.00 30.03 N ATOM 1331 CA ARG A 79 -2.779 7.342 1.937 1.00 33.30 C ATOM 1332 C ARG A 79 -1.863 6.742 0.869 1.00 42.34 C ATOM 1333 O ARG A 79 -1.592 5.542 0.904 1.00 23.43 O ATOM 1334 CB ARG A 79 -1.999 7.391 3.295 1.00 21.23 C ATOM 1335 CG ARG A 79 -2.821 7.821 4.532 1.00 32.01 C ATOM 1336 CD ARG A 79 -3.712 6.695 5.090 1.00 20.45 C ATOM 1337 NE ARG A 79 -4.589 7.175 6.160 1.00 34.24 N ATOM 1338 CZ ARG A 79 -5.882 6.848 6.294 1.00 72.43 C ATOM 1339 NH1 ARG A 79 -6.472 6.031 5.430 1.00 53.40 N ATOM 1340 NH2 ARG A 79 -6.582 7.351 7.289 1.00 1.43 N ATOM 0 H ARG A 79 -3.828 5.590 2.435 1.00 30.03 H new ATOM 0 HA ARG A 79 -3.083 8.364 1.710 1.00 33.30 H new ATOM 0 HB2 ARG A 79 -1.580 6.403 3.487 1.00 21.23 H new ATOM 0 HB3 ARG A 79 -1.159 8.077 3.185 1.00 21.23 H new ATOM 0 HG2 ARG A 79 -2.140 8.158 5.314 1.00 32.01 H new ATOM 0 HG3 ARG A 79 -3.447 8.673 4.266 1.00 32.01 H new ATOM 0 HD2 ARG A 79 -4.316 6.277 4.285 1.00 20.45 H new ATOM 0 HD3 ARG A 79 -3.084 5.889 5.469 1.00 20.45 H new ATOM 0 HE ARG A 79 -4.186 7.804 6.854 1.00 34.24 H new ATOM 0 HH11 ARG A 79 -5.941 5.643 4.651 1.00 53.40 H new ATOM 0 HH12 ARG A 79 -7.457 5.792 5.545 1.00 53.40 H new ATOM 0 HH21 ARG A 79 -6.140 7.986 7.953 1.00 1.43 H new ATOM 0 HH22 ARG A 79 -7.566 7.105 7.395 1.00 1.43 H new ATOM 1354 N THR A 80 -1.390 7.563 -0.069 1.00 41.25 N ATOM 1355 CA THR A 80 -0.468 7.112 -1.121 1.00 24.44 C ATOM 1356 C THR A 80 0.911 7.749 -0.877 1.00 72.54 C ATOM 1357 O THR A 80 1.063 8.976 -0.951 1.00 23.24 O ATOM 1358 CB THR A 80 -1.000 7.483 -2.540 1.00 12.22 C ATOM 1359 OG1 THR A 80 -2.398 7.149 -2.642 1.00 10.44 O ATOM 1360 CG2 THR A 80 -0.229 6.751 -3.652 1.00 43.51 C ATOM 0 H THR A 80 -1.631 8.553 -0.124 1.00 41.25 H new ATOM 0 HA THR A 80 -0.386 6.026 -1.081 1.00 24.44 H new ATOM 0 HB THR A 80 -0.855 8.555 -2.671 1.00 12.22 H new ATOM 0 HG1 THR A 80 -2.613 6.923 -3.571 1.00 10.44 H new ATOM 0 HG21 THR A 80 -0.632 7.038 -4.623 1.00 43.51 H new ATOM 0 HG22 THR A 80 0.826 7.021 -3.602 1.00 43.51 H new ATOM 0 HG23 THR A 80 -0.334 5.674 -3.519 1.00 43.51 H new ATOM 1368 N ARG A 81 1.892 6.898 -0.552 1.00 31.42 N ATOM 1369 CA ARG A 81 3.266 7.303 -0.213 1.00 53.54 C ATOM 1370 C ARG A 81 4.245 6.704 -1.230 1.00 75.31 C ATOM 1371 O ARG A 81 4.168 5.513 -1.546 1.00 41.44 O ATOM 1372 CB ARG A 81 3.624 6.820 1.227 1.00 72.35 C ATOM 1373 CG ARG A 81 2.751 7.406 2.367 1.00 44.05 C ATOM 1374 CD ARG A 81 2.990 8.907 2.626 1.00 55.21 C ATOM 1375 NE ARG A 81 2.524 9.769 1.528 1.00 61.42 N ATOM 1376 CZ ARG A 81 3.123 10.897 1.111 1.00 52.15 C ATOM 1377 NH1 ARG A 81 4.237 11.344 1.694 1.00 41.51 N ATOM 1378 NH2 ARG A 81 2.610 11.561 0.090 1.00 2.10 N ATOM 0 H ARG A 81 1.752 5.888 -0.516 1.00 31.42 H new ATOM 0 HA ARG A 81 3.339 8.390 -0.246 1.00 53.54 H new ATOM 0 HB2 ARG A 81 3.546 5.733 1.256 1.00 72.35 H new ATOM 0 HB3 ARG A 81 4.666 7.070 1.426 1.00 72.35 H new ATOM 0 HG2 ARG A 81 1.700 7.252 2.123 1.00 44.05 H new ATOM 0 HG3 ARG A 81 2.949 6.853 3.285 1.00 44.05 H new ATOM 0 HD2 ARG A 81 2.481 9.195 3.546 1.00 55.21 H new ATOM 0 HD3 ARG A 81 4.055 9.076 2.784 1.00 55.21 H new ATOM 0 HE ARG A 81 1.673 9.486 1.042 1.00 61.42 H new ATOM 0 HH11 ARG A 81 4.649 10.827 2.471 1.00 41.51 H new ATOM 0 HH12 ARG A 81 4.677 12.203 1.363 1.00 41.51 H new ATOM 0 HH21 ARG A 81 1.769 11.216 -0.372 1.00 2.10 H new ATOM 0 HH22 ARG A 81 3.055 12.419 -0.236 1.00 2.10 H new ATOM 1392 N LYS A 82 5.150 7.545 -1.751 1.00 72.42 N ATOM 1393 CA LYS A 82 6.219 7.109 -2.652 1.00 73.11 C ATOM 1394 C LYS A 82 7.470 6.800 -1.823 1.00 65.04 C ATOM 1395 O LYS A 82 7.875 7.601 -0.975 1.00 51.45 O ATOM 1396 CB LYS A 82 6.513 8.201 -3.705 1.00 71.50 C ATOM 1397 CG LYS A 82 7.547 7.795 -4.780 1.00 54.24 C ATOM 1398 CD LYS A 82 7.858 8.939 -5.769 1.00 3.30 C ATOM 1399 CE LYS A 82 8.467 10.173 -5.080 1.00 31.15 C ATOM 1400 NZ LYS A 82 8.771 11.262 -6.044 1.00 43.34 N ATOM 0 H LYS A 82 5.159 8.546 -1.558 1.00 72.42 H new ATOM 0 HA LYS A 82 5.909 6.210 -3.184 1.00 73.11 H new ATOM 0 HB2 LYS A 82 5.580 8.471 -4.200 1.00 71.50 H new ATOM 0 HB3 LYS A 82 6.872 9.094 -3.193 1.00 71.50 H new ATOM 0 HG2 LYS A 82 8.470 7.482 -4.291 1.00 54.24 H new ATOM 0 HG3 LYS A 82 7.171 6.934 -5.333 1.00 54.24 H new ATOM 0 HD2 LYS A 82 8.548 8.577 -6.531 1.00 3.30 H new ATOM 0 HD3 LYS A 82 6.941 9.230 -6.281 1.00 3.30 H new ATOM 0 HE2 LYS A 82 7.775 10.543 -4.323 1.00 31.15 H new ATOM 0 HE3 LYS A 82 9.381 9.883 -4.562 1.00 31.15 H new ATOM 0 HZ1 LYS A 82 8.852 12.165 -5.534 1.00 43.34 H new ATOM 0 HZ2 LYS A 82 9.668 11.057 -6.528 1.00 43.34 H new ATOM 0 HZ3 LYS A 82 8.006 11.328 -6.746 1.00 43.34 H new ATOM 1414 N VAL A 83 8.055 5.624 -2.054 1.00 72.43 N ATOM 1415 CA VAL A 83 9.221 5.132 -1.312 1.00 70.12 C ATOM 1416 C VAL A 83 10.384 4.880 -2.290 1.00 1.10 C ATOM 1417 O VAL A 83 10.175 4.388 -3.411 1.00 71.24 O ATOM 1418 CB VAL A 83 8.856 3.832 -0.488 1.00 12.35 C ATOM 1419 CG1 VAL A 83 7.649 4.105 0.442 1.00 74.24 C ATOM 1420 CG2 VAL A 83 8.595 2.597 -1.384 1.00 52.33 C ATOM 0 H VAL A 83 7.729 4.976 -2.771 1.00 72.43 H new ATOM 0 HA VAL A 83 9.535 5.887 -0.592 1.00 70.12 H new ATOM 0 HB VAL A 83 9.728 3.588 0.119 1.00 12.35 H new ATOM 0 HG11 VAL A 83 7.410 3.201 1.002 1.00 74.24 H new ATOM 0 HG12 VAL A 83 7.899 4.907 1.136 1.00 74.24 H new ATOM 0 HG13 VAL A 83 6.787 4.399 -0.157 1.00 74.24 H new ATOM 0 HG21 VAL A 83 8.350 1.739 -0.758 1.00 52.33 H new ATOM 0 HG22 VAL A 83 7.763 2.805 -2.057 1.00 52.33 H new ATOM 0 HG23 VAL A 83 9.488 2.376 -1.969 1.00 52.33 H new ATOM 1430 N THR A 84 11.594 5.298 -1.894 1.00 71.53 N ATOM 1431 CA THR A 84 12.820 5.028 -2.660 1.00 13.01 C ATOM 1432 C THR A 84 13.458 3.728 -2.145 1.00 11.41 C ATOM 1433 O THR A 84 13.578 2.740 -2.873 1.00 42.31 O ATOM 1434 CB THR A 84 13.830 6.229 -2.547 1.00 74.14 C ATOM 1435 OG1 THR A 84 14.158 6.473 -1.166 1.00 51.32 O ATOM 1436 CG2 THR A 84 13.262 7.520 -3.166 1.00 14.05 C ATOM 0 H THR A 84 11.751 5.830 -1.038 1.00 71.53 H new ATOM 0 HA THR A 84 12.566 4.913 -3.714 1.00 13.01 H new ATOM 0 HB THR A 84 14.726 5.950 -3.102 1.00 74.14 H new ATOM 0 HG1 THR A 84 14.788 7.221 -1.107 1.00 51.32 H new ATOM 0 HG21 THR A 84 13.992 8.323 -3.066 1.00 14.05 H new ATOM 0 HG22 THR A 84 13.048 7.354 -4.222 1.00 14.05 H new ATOM 0 HG23 THR A 84 12.344 7.798 -2.649 1.00 14.05 H new ATOM 1444 N SER A 85 13.814 3.748 -0.854 1.00 73.14 N ATOM 1445 CA SER A 85 14.455 2.635 -0.150 1.00 23.23 C ATOM 1446 C SER A 85 13.387 1.774 0.564 1.00 64.24 C ATOM 1447 O SER A 85 12.257 2.244 0.773 1.00 73.22 O ATOM 1448 CB SER A 85 15.455 3.221 0.877 1.00 75.42 C ATOM 1449 OG SER A 85 16.412 4.046 0.239 1.00 63.21 O ATOM 0 H SER A 85 13.659 4.560 -0.257 1.00 73.14 H new ATOM 0 HA SER A 85 14.985 1.997 -0.857 1.00 23.23 H new ATOM 0 HB2 SER A 85 14.915 3.798 1.628 1.00 75.42 H new ATOM 0 HB3 SER A 85 15.960 2.410 1.401 1.00 75.42 H new ATOM 0 HG SER A 85 17.031 4.406 0.908 1.00 63.21 H new ATOM 1455 N PRO A 86 13.719 0.503 0.960 1.00 2.53 N ATOM 1456 CA PRO A 86 12.812 -0.347 1.779 1.00 40.25 C ATOM 1457 C PRO A 86 12.492 0.287 3.143 1.00 51.35 C ATOM 1458 O PRO A 86 11.374 0.156 3.638 1.00 44.44 O ATOM 1459 CB PRO A 86 13.602 -1.672 1.931 1.00 33.14 C ATOM 1460 CG PRO A 86 15.032 -1.305 1.661 1.00 21.44 C ATOM 1461 CD PRO A 86 14.961 -0.237 0.600 1.00 13.22 C ATOM 0 HA PRO A 86 11.836 -0.485 1.313 1.00 40.25 H new ATOM 0 HB2 PRO A 86 13.484 -2.089 2.931 1.00 33.14 H new ATOM 0 HB3 PRO A 86 13.248 -2.425 1.227 1.00 33.14 H new ATOM 0 HG2 PRO A 86 15.523 -0.936 2.562 1.00 21.44 H new ATOM 0 HG3 PRO A 86 15.604 -2.167 1.317 1.00 21.44 H new ATOM 0 HD2 PRO A 86 15.838 0.411 0.619 1.00 13.22 H new ATOM 0 HD3 PRO A 86 14.902 -0.664 -0.401 1.00 13.22 H new ATOM 1469 N ASP A 87 13.484 1.022 3.684 1.00 52.30 N ATOM 1470 CA ASP A 87 13.411 1.713 4.987 1.00 44.12 C ATOM 1471 C ASP A 87 12.248 2.719 5.015 1.00 23.32 C ATOM 1472 O ASP A 87 11.584 2.891 6.049 1.00 54.25 O ATOM 1473 CB ASP A 87 14.751 2.456 5.260 1.00 22.22 C ATOM 1474 CG ASP A 87 15.985 1.539 5.200 1.00 70.40 C ATOM 1475 OD1 ASP A 87 16.457 1.247 4.080 1.00 72.14 O ATOM 1476 OD2 ASP A 87 16.482 1.097 6.262 1.00 73.11 O ATOM 0 H ASP A 87 14.380 1.155 3.215 1.00 52.30 H new ATOM 0 HA ASP A 87 13.237 0.966 5.762 1.00 44.12 H new ATOM 0 HB2 ASP A 87 14.868 3.257 4.530 1.00 22.22 H new ATOM 0 HB3 ASP A 87 14.704 2.924 6.243 1.00 22.22 H new ATOM 1481 N GLU A 88 12.008 3.356 3.846 1.00 44.44 N ATOM 1482 CA GLU A 88 10.914 4.323 3.668 1.00 4.12 C ATOM 1483 C GLU A 88 9.566 3.609 3.855 1.00 60.04 C ATOM 1484 O GLU A 88 8.764 4.003 4.706 1.00 24.01 O ATOM 1485 CB GLU A 88 10.980 4.998 2.269 1.00 54.11 C ATOM 1486 CG GLU A 88 12.378 5.482 1.832 1.00 55.10 C ATOM 1487 CD GLU A 88 13.097 6.374 2.857 1.00 54.52 C ATOM 1488 OE1 GLU A 88 12.682 7.539 3.041 1.00 23.53 O ATOM 1489 OE2 GLU A 88 14.075 5.913 3.486 1.00 0.23 O ATOM 0 H GLU A 88 12.568 3.211 3.006 1.00 44.44 H new ATOM 0 HA GLU A 88 11.018 5.108 4.418 1.00 4.12 H new ATOM 0 HB2 GLU A 88 10.610 4.291 1.526 1.00 54.11 H new ATOM 0 HB3 GLU A 88 10.301 5.851 2.264 1.00 54.11 H new ATOM 0 HG2 GLU A 88 13.001 4.612 1.627 1.00 55.10 H new ATOM 0 HG3 GLU A 88 12.281 6.032 0.896 1.00 55.10 H new ATOM 1496 N ALA A 89 9.403 2.483 3.116 1.00 51.04 N ATOM 1497 CA ALA A 89 8.156 1.695 3.097 1.00 53.32 C ATOM 1498 C ALA A 89 7.813 1.162 4.490 1.00 60.34 C ATOM 1499 O ALA A 89 6.659 1.226 4.917 1.00 24.03 O ATOM 1500 CB ALA A 89 8.270 0.537 2.091 1.00 70.13 C ATOM 0 H ALA A 89 10.136 2.100 2.518 1.00 51.04 H new ATOM 0 HA ALA A 89 7.347 2.355 2.784 1.00 53.32 H new ATOM 0 HB1 ALA A 89 7.342 -0.035 2.088 1.00 70.13 H new ATOM 0 HB2 ALA A 89 8.452 0.938 1.094 1.00 70.13 H new ATOM 0 HB3 ALA A 89 9.097 -0.113 2.377 1.00 70.13 H new ATOM 1506 N LYS A 90 8.854 0.689 5.198 1.00 70.54 N ATOM 1507 CA LYS A 90 8.738 0.139 6.553 1.00 63.32 C ATOM 1508 C LYS A 90 8.246 1.202 7.545 1.00 64.13 C ATOM 1509 O LYS A 90 7.366 0.923 8.381 1.00 72.25 O ATOM 1510 CB LYS A 90 10.113 -0.409 7.010 1.00 31.33 C ATOM 1511 CG LYS A 90 10.654 -1.563 6.140 1.00 0.15 C ATOM 1512 CD LYS A 90 12.087 -1.990 6.534 1.00 44.23 C ATOM 1513 CE LYS A 90 12.157 -2.712 7.887 1.00 2.14 C ATOM 1514 NZ LYS A 90 13.539 -3.186 8.180 1.00 14.25 N ATOM 0 H LYS A 90 9.808 0.679 4.838 1.00 70.54 H new ATOM 0 HA LYS A 90 8.007 -0.669 6.533 1.00 63.32 H new ATOM 0 HB2 LYS A 90 10.837 0.406 7.004 1.00 31.33 H new ATOM 0 HB3 LYS A 90 10.030 -0.754 8.041 1.00 31.33 H new ATOM 0 HG2 LYS A 90 9.987 -2.421 6.227 1.00 0.15 H new ATOM 0 HG3 LYS A 90 10.646 -1.258 5.094 1.00 0.15 H new ATOM 0 HD2 LYS A 90 12.489 -2.644 5.760 1.00 44.23 H new ATOM 0 HD3 LYS A 90 12.725 -1.107 6.568 1.00 44.23 H new ATOM 0 HE2 LYS A 90 11.826 -2.039 8.678 1.00 2.14 H new ATOM 0 HE3 LYS A 90 11.473 -3.560 7.884 1.00 2.14 H new ATOM 0 HZ1 LYS A 90 13.502 -3.950 8.885 1.00 14.25 H new ATOM 0 HZ2 LYS A 90 13.976 -3.542 7.306 1.00 14.25 H new ATOM 0 HZ3 LYS A 90 14.105 -2.397 8.554 1.00 14.25 H new ATOM 1528 N ARG A 91 8.825 2.420 7.430 1.00 61.12 N ATOM 1529 CA ARG A 91 8.491 3.538 8.312 1.00 11.11 C ATOM 1530 C ARG A 91 7.011 3.899 8.188 1.00 51.31 C ATOM 1531 O ARG A 91 6.313 3.935 9.200 1.00 54.34 O ATOM 1532 CB ARG A 91 9.382 4.779 8.032 1.00 63.14 C ATOM 1533 CG ARG A 91 9.093 5.979 8.970 1.00 33.00 C ATOM 1534 CD ARG A 91 10.092 7.136 8.816 1.00 63.44 C ATOM 1535 NE ARG A 91 9.714 8.301 9.646 1.00 3.44 N ATOM 1536 CZ ARG A 91 10.543 9.019 10.426 1.00 72.32 C ATOM 1537 NH1 ARG A 91 11.840 8.715 10.516 1.00 3.42 N ATOM 1538 NH2 ARG A 91 10.053 10.033 11.128 1.00 13.04 N ATOM 0 H ARG A 91 9.529 2.644 6.727 1.00 61.12 H new ATOM 0 HA ARG A 91 8.688 3.217 9.335 1.00 11.11 H new ATOM 0 HB2 ARG A 91 10.429 4.494 8.134 1.00 63.14 H new ATOM 0 HB3 ARG A 91 9.236 5.094 6.999 1.00 63.14 H new ATOM 0 HG2 ARG A 91 8.087 6.350 8.772 1.00 33.00 H new ATOM 0 HG3 ARG A 91 9.107 5.633 10.004 1.00 33.00 H new ATOM 0 HD2 ARG A 91 11.088 6.796 9.098 1.00 63.44 H new ATOM 0 HD3 ARG A 91 10.142 7.436 7.769 1.00 63.44 H new ATOM 0 HE ARG A 91 8.735 8.586 9.625 1.00 3.44 H new ATOM 0 HH11 ARG A 91 12.217 7.928 9.989 1.00 3.42 H new ATOM 0 HH12 ARG A 91 12.454 9.270 11.112 1.00 3.42 H new ATOM 0 HH21 ARG A 91 9.060 10.259 11.072 1.00 13.04 H new ATOM 0 HH22 ARG A 91 10.669 10.586 11.723 1.00 13.04 H new ATOM 1552 N TRP A 92 6.530 4.129 6.943 1.00 15.13 N ATOM 1553 CA TRP A 92 5.121 4.492 6.690 1.00 44.54 C ATOM 1554 C TRP A 92 4.118 3.459 7.243 1.00 70.24 C ATOM 1555 O TRP A 92 3.051 3.848 7.725 1.00 45.32 O ATOM 1556 CB TRP A 92 4.861 4.705 5.180 1.00 50.20 C ATOM 1557 CG TRP A 92 5.685 5.805 4.549 1.00 33.33 C ATOM 1558 CD1 TRP A 92 6.586 5.682 3.533 1.00 33.42 C ATOM 1559 CD2 TRP A 92 5.669 7.199 4.891 1.00 14.13 C ATOM 1560 NE1 TRP A 92 7.146 6.893 3.240 1.00 70.30 N ATOM 1561 CE2 TRP A 92 6.599 7.842 4.056 1.00 72.24 C ATOM 1562 CE3 TRP A 92 4.968 7.964 5.824 1.00 21.25 C ATOM 1563 CZ2 TRP A 92 6.843 9.208 4.119 1.00 44.40 C ATOM 1564 CZ3 TRP A 92 5.207 9.318 5.885 1.00 2.04 C ATOM 1565 CH2 TRP A 92 6.143 9.931 5.040 1.00 4.14 C ATOM 0 H TRP A 92 7.100 4.069 6.099 1.00 15.13 H new ATOM 0 HA TRP A 92 4.958 5.427 7.226 1.00 44.54 H new ATOM 0 HB2 TRP A 92 5.062 3.771 4.655 1.00 50.20 H new ATOM 0 HB3 TRP A 92 3.805 4.931 5.035 1.00 50.20 H new ATOM 0 HD1 TRP A 92 6.824 4.756 3.030 1.00 33.42 H new ATOM 0 HE1 TRP A 92 7.857 7.061 2.528 1.00 70.30 H new ATOM 0 HE3 TRP A 92 4.251 7.502 6.486 1.00 21.25 H new ATOM 0 HZ2 TRP A 92 7.560 9.680 3.463 1.00 44.40 H new ATOM 0 HZ3 TRP A 92 4.663 9.920 6.598 1.00 2.04 H new ATOM 0 HH2 TRP A 92 6.313 10.995 5.120 1.00 4.14 H new ATOM 1576 N ILE A 93 4.470 2.153 7.177 1.00 40.11 N ATOM 1577 CA ILE A 93 3.607 1.063 7.691 1.00 54.22 C ATOM 1578 C ILE A 93 3.478 1.175 9.216 1.00 13.31 C ATOM 1579 O ILE A 93 2.378 1.020 9.770 1.00 45.44 O ATOM 1580 CB ILE A 93 4.158 -0.359 7.291 1.00 4.51 C ATOM 1581 CG1 ILE A 93 4.140 -0.523 5.742 1.00 31.12 C ATOM 1582 CG2 ILE A 93 3.367 -1.510 7.979 1.00 72.54 C ATOM 1583 CD1 ILE A 93 4.795 -1.791 5.240 1.00 2.42 C ATOM 0 H ILE A 93 5.348 1.828 6.772 1.00 40.11 H new ATOM 0 HA ILE A 93 2.623 1.172 7.235 1.00 54.22 H new ATOM 0 HB ILE A 93 5.187 -0.427 7.645 1.00 4.51 H new ATOM 0 HG12 ILE A 93 3.106 -0.502 5.399 1.00 31.12 H new ATOM 0 HG13 ILE A 93 4.642 0.334 5.292 1.00 31.12 H new ATOM 0 HG21 ILE A 93 3.782 -2.470 7.673 1.00 72.54 H new ATOM 0 HG22 ILE A 93 3.445 -1.409 9.061 1.00 72.54 H new ATOM 0 HG23 ILE A 93 2.319 -1.458 7.684 1.00 72.54 H new ATOM 0 HD11 ILE A 93 4.738 -1.824 4.152 1.00 2.42 H new ATOM 0 HD12 ILE A 93 5.840 -1.808 5.549 1.00 2.42 H new ATOM 0 HD13 ILE A 93 4.280 -2.656 5.657 1.00 2.42 H new ATOM 1595 N LYS A 94 4.614 1.478 9.883 1.00 72.20 N ATOM 1596 CA LYS A 94 4.639 1.730 11.332 1.00 35.34 C ATOM 1597 C LYS A 94 3.747 2.932 11.680 1.00 51.12 C ATOM 1598 O LYS A 94 2.886 2.817 12.544 1.00 14.53 O ATOM 1599 CB LYS A 94 6.093 1.952 11.830 1.00 2.34 C ATOM 1600 CG LYS A 94 6.233 2.055 13.371 1.00 23.44 C ATOM 1601 CD LYS A 94 7.706 2.040 13.845 1.00 5.41 C ATOM 1602 CE LYS A 94 8.510 3.266 13.380 1.00 70.43 C ATOM 1603 NZ LYS A 94 7.988 4.538 13.943 1.00 3.24 N ATOM 0 H LYS A 94 5.527 1.553 9.434 1.00 72.20 H new ATOM 0 HA LYS A 94 4.244 0.852 11.842 1.00 35.34 H new ATOM 0 HB2 LYS A 94 6.715 1.131 11.475 1.00 2.34 H new ATOM 0 HB3 LYS A 94 6.483 2.865 11.380 1.00 2.34 H new ATOM 0 HG2 LYS A 94 5.756 2.973 13.713 1.00 23.44 H new ATOM 0 HG3 LYS A 94 5.699 1.226 13.835 1.00 23.44 H new ATOM 0 HD2 LYS A 94 7.729 1.991 14.934 1.00 5.41 H new ATOM 0 HD3 LYS A 94 8.190 1.136 13.475 1.00 5.41 H new ATOM 0 HE2 LYS A 94 9.553 3.144 13.673 1.00 70.43 H new ATOM 0 HE3 LYS A 94 8.488 3.319 12.291 1.00 70.43 H new ATOM 0 HZ1 LYS A 94 8.783 5.167 14.175 1.00 3.24 H new ATOM 0 HZ2 LYS A 94 7.373 5.001 13.243 1.00 3.24 H new ATOM 0 HZ3 LYS A 94 7.442 4.338 14.805 1.00 3.24 H new ATOM 1617 N GLU A 95 3.905 4.043 10.923 1.00 75.33 N ATOM 1618 CA GLU A 95 3.167 5.305 11.163 1.00 72.02 C ATOM 1619 C GLU A 95 1.645 5.111 10.975 1.00 5.44 C ATOM 1620 O GLU A 95 0.839 5.706 11.693 1.00 1.42 O ATOM 1621 CB GLU A 95 3.679 6.427 10.210 1.00 52.44 C ATOM 1622 CG GLU A 95 5.198 6.710 10.270 1.00 51.23 C ATOM 1623 CD GLU A 95 5.720 7.037 11.678 1.00 13.22 C ATOM 1624 OE1 GLU A 95 5.630 8.210 12.102 1.00 1.54 O ATOM 1625 OE2 GLU A 95 6.237 6.125 12.367 1.00 25.01 O ATOM 0 H GLU A 95 4.546 4.090 10.131 1.00 75.33 H new ATOM 0 HA GLU A 95 3.349 5.602 12.196 1.00 72.02 H new ATOM 0 HB2 GLU A 95 3.418 6.158 9.187 1.00 52.44 H new ATOM 0 HB3 GLU A 95 3.146 7.349 10.443 1.00 52.44 H new ATOM 0 HG2 GLU A 95 5.734 5.841 9.888 1.00 51.23 H new ATOM 0 HG3 GLU A 95 5.428 7.543 9.606 1.00 51.23 H new ATOM 1632 N PHE A 96 1.288 4.249 10.012 1.00 13.31 N ATOM 1633 CA PHE A 96 -0.107 3.906 9.668 1.00 1.40 C ATOM 1634 C PHE A 96 -0.760 3.087 10.801 1.00 61.21 C ATOM 1635 O PHE A 96 -1.974 3.182 11.043 1.00 4.15 O ATOM 1636 CB PHE A 96 -0.094 3.125 8.330 1.00 72.11 C ATOM 1637 CG PHE A 96 -1.455 2.724 7.772 1.00 50.23 C ATOM 1638 CD1 PHE A 96 -2.398 3.694 7.423 1.00 33.21 C ATOM 1639 CD2 PHE A 96 -1.784 1.379 7.575 1.00 14.02 C ATOM 1640 CE1 PHE A 96 -3.618 3.330 6.891 1.00 14.33 C ATOM 1641 CE2 PHE A 96 -3.003 1.024 7.046 1.00 72.02 C ATOM 1642 CZ PHE A 96 -3.919 1.996 6.711 1.00 72.24 C ATOM 0 H PHE A 96 1.972 3.758 9.436 1.00 13.31 H new ATOM 0 HA PHE A 96 -0.704 4.811 9.551 1.00 1.40 H new ATOM 0 HB2 PHE A 96 0.417 3.733 7.583 1.00 72.11 H new ATOM 0 HB3 PHE A 96 0.500 2.221 8.466 1.00 72.11 H new ATOM 0 HD1 PHE A 96 -2.170 4.739 7.571 1.00 33.21 H new ATOM 0 HD2 PHE A 96 -1.073 0.611 7.841 1.00 14.02 H new ATOM 0 HE1 PHE A 96 -4.336 4.088 6.616 1.00 14.33 H new ATOM 0 HE2 PHE A 96 -3.242 -0.018 6.893 1.00 72.02 H new ATOM 0 HZ PHE A 96 -4.879 1.712 6.305 1.00 72.24 H new ATOM 1652 N SER A 97 0.070 2.294 11.497 1.00 2.11 N ATOM 1653 CA SER A 97 -0.344 1.535 12.688 1.00 71.01 C ATOM 1654 C SER A 97 -0.418 2.455 13.928 1.00 72.11 C ATOM 1655 O SER A 97 -1.268 2.247 14.802 1.00 5.43 O ATOM 1656 CB SER A 97 0.632 0.363 12.915 1.00 60.41 C ATOM 1657 OG SER A 97 0.681 -0.478 11.774 1.00 74.11 O ATOM 0 H SER A 97 1.050 2.161 11.249 1.00 2.11 H new ATOM 0 HA SER A 97 -1.343 1.130 12.526 1.00 71.01 H new ATOM 0 HB2 SER A 97 1.628 0.750 13.131 1.00 60.41 H new ATOM 0 HB3 SER A 97 0.319 -0.214 13.785 1.00 60.41 H new ATOM 0 HG SER A 97 1.219 -0.051 11.075 1.00 74.11 H new