USER MOD reduce.3.24.130724 H: found=0, std=0, add=720, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 713 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 48 SER OG : rot 170:sc= -0.842 USER MOD Set 1.2: A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 9 HIS : no HE2:sc= 0.335 K(o=0.33,f=-1.2) USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 18 CYS SG : rot 180:sc= -0.0296 USER MOD Single : A 23 THR OG1 : rot -91:sc= 1.02 USER MOD Single : A 24 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 27 HIS : no HD1:sc= 0 X(o=0,f=-0.0055) USER MOD Single : A 32 LYS NZ :NH3+ -136:sc=0.000195 (180deg=-2.57!) USER MOD Single : A 34 GLN : amide:sc= -2.93 K(o=-2.9,f=-4.9!) USER MOD Single : A 36 THR OG1 : rot 180:sc= 0.00315 USER MOD Single : A 44 TYR OH : rot 180:sc= -0.0638 USER MOD Single : A 56 MET CE :methyl 165:sc=-3.04e-05 (180deg=-0.141) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 HIS : no HD1:sc= 0 X(o=0,f=-0.056) USER MOD Single : A 65 HIS : no HD1:sc= -1.41! C(o=-1.4!,f=-1.1!) USER MOD Single : A 70 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 73 GLN : amide:sc= 0 K(o=0,f=-2.2!) USER MOD Single : A 75 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0174) USER MOD Single : A 78 HIS : no HE2:sc= -0.445 X(o=-0.45,f=-0.24) USER MOD Single : A 82 THR OG1 : rot 180:sc=-0.00983 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 2.410 1.407 0.471 1.00 61.31 N ATOM 2 CA GLY A 1 2.808 1.504 -0.921 1.00 62.32 C ATOM 3 C GLY A 1 1.621 1.594 -1.859 1.00 33.11 C ATOM 4 O GLY A 1 0.892 2.585 -1.855 1.00 11.54 O ATOM 0 H1 GLY A 1 3.257 1.348 1.071 1.00 61.31 H new ATOM 0 H2 GLY A 1 1.858 2.248 0.734 1.00 61.31 H new ATOM 0 H3 GLY A 1 1.829 0.555 0.607 1.00 61.31 H new ATOM 0 HA2 GLY A 1 3.440 2.382 -1.055 1.00 62.32 H new ATOM 0 HA3 GLY A 1 3.410 0.635 -1.185 1.00 62.32 H new ATOM 8 N ALA A 2 1.426 0.557 -2.667 1.00 23.55 N ATOM 9 CA ALA A 2 0.319 0.523 -3.614 1.00 31.23 C ATOM 10 C ALA A 2 0.444 1.640 -4.644 1.00 74.11 C ATOM 11 O ALA A 2 1.469 2.317 -4.718 1.00 73.23 O ATOM 12 CB ALA A 2 -1.009 0.627 -2.878 1.00 24.14 C ATOM 0 H ALA A 2 2.021 -0.271 -2.684 1.00 23.55 H new ATOM 0 HA ALA A 2 0.355 -0.429 -4.143 1.00 31.23 H new ATOM 0 HB1 ALA A 2 -1.827 0.600 -3.598 1.00 24.14 H new ATOM 0 HB2 ALA A 2 -1.108 -0.209 -2.186 1.00 24.14 H new ATOM 0 HB3 ALA A 2 -1.045 1.564 -2.323 1.00 24.14 H new ATOM 18 N MET A 3 -0.606 1.827 -5.438 1.00 20.43 N ATOM 19 CA MET A 3 -0.613 2.863 -6.464 1.00 20.31 C ATOM 20 C MET A 3 -0.916 4.228 -5.856 1.00 11.34 C ATOM 21 O MET A 3 -1.931 4.407 -5.183 1.00 22.13 O ATOM 22 CB MET A 3 -1.644 2.533 -7.545 1.00 30.21 C ATOM 23 CG MET A 3 -1.166 1.491 -8.543 1.00 44.24 C ATOM 24 SD MET A 3 -1.124 2.117 -10.234 1.00 12.11 S ATOM 25 CE MET A 3 -1.243 0.590 -11.163 1.00 42.41 C ATOM 0 H MET A 3 -1.462 1.275 -5.390 1.00 20.43 H new ATOM 0 HA MET A 3 0.378 2.898 -6.916 1.00 20.31 H new ATOM 0 HB2 MET A 3 -2.557 2.176 -7.068 1.00 30.21 H new ATOM 0 HB3 MET A 3 -1.901 3.447 -8.081 1.00 30.21 H new ATOM 0 HG2 MET A 3 -0.169 1.153 -8.260 1.00 44.24 H new ATOM 0 HG3 MET A 3 -1.822 0.622 -8.498 1.00 44.24 H new ATOM 0 HE1 MET A 3 -1.230 0.811 -12.230 1.00 42.41 H new ATOM 0 HE2 MET A 3 -0.399 -0.053 -10.915 1.00 42.41 H new ATOM 0 HE3 MET A 3 -2.173 0.081 -10.910 1.00 42.41 H new ATOM 35 N ALA A 4 -0.029 5.188 -6.097 1.00 13.55 N ATOM 36 CA ALA A 4 -0.204 6.538 -5.574 1.00 25.13 C ATOM 37 C ALA A 4 -0.236 7.564 -6.702 1.00 31.34 C ATOM 38 O ALA A 4 -0.311 7.206 -7.877 1.00 72.50 O ATOM 39 CB ALA A 4 0.907 6.869 -4.588 1.00 41.40 C ATOM 0 H ALA A 4 0.817 5.056 -6.651 1.00 13.55 H new ATOM 0 HA ALA A 4 -1.161 6.579 -5.054 1.00 25.13 H new ATOM 0 HB1 ALA A 4 0.765 7.880 -4.205 1.00 41.40 H new ATOM 0 HB2 ALA A 4 0.882 6.160 -3.760 1.00 41.40 H new ATOM 0 HB3 ALA A 4 1.872 6.805 -5.092 1.00 41.40 H new ATOM 45 N ARG A 5 -0.180 8.840 -6.336 1.00 42.20 N ATOM 46 CA ARG A 5 -0.205 9.918 -7.318 1.00 22.24 C ATOM 47 C ARG A 5 1.208 10.270 -7.774 1.00 51.41 C ATOM 48 O ARG A 5 1.418 10.682 -8.915 1.00 15.55 O ATOM 49 CB ARG A 5 -0.886 11.155 -6.731 1.00 14.33 C ATOM 50 CG ARG A 5 -2.173 10.845 -5.984 1.00 11.15 C ATOM 51 CD ARG A 5 -3.162 10.098 -6.864 1.00 73.31 C ATOM 52 NE ARG A 5 -4.546 10.445 -6.550 1.00 43.13 N ATOM 53 CZ ARG A 5 -5.578 10.116 -7.318 1.00 34.41 C ATOM 54 NH1 ARG A 5 -5.385 9.434 -8.438 1.00 61.44 N ATOM 55 NH2 ARG A 5 -6.808 10.468 -6.965 1.00 31.20 N ATOM 0 H ARG A 5 -0.117 9.153 -5.367 1.00 42.20 H new ATOM 0 HA ARG A 5 -0.773 9.575 -8.183 1.00 22.24 H new ATOM 0 HB2 ARG A 5 -0.193 11.653 -6.053 1.00 14.33 H new ATOM 0 HB3 ARG A 5 -1.103 11.856 -7.537 1.00 14.33 H new ATOM 0 HG2 ARG A 5 -1.947 10.248 -5.101 1.00 11.15 H new ATOM 0 HG3 ARG A 5 -2.625 11.773 -5.634 1.00 11.15 H new ATOM 0 HD2 ARG A 5 -2.960 10.326 -7.911 1.00 73.31 H new ATOM 0 HD3 ARG A 5 -3.020 9.025 -6.738 1.00 73.31 H new ATOM 0 HE ARG A 5 -4.730 10.969 -5.694 1.00 43.13 H new ATOM 0 HH11 ARG A 5 -4.441 9.160 -8.712 1.00 61.44 H new ATOM 0 HH12 ARG A 5 -6.180 9.183 -9.026 1.00 61.44 H new ATOM 0 HH21 ARG A 5 -6.961 10.992 -6.103 1.00 31.20 H new ATOM 0 HH22 ARG A 5 -7.600 10.215 -7.556 1.00 31.20 H new ATOM 69 N ALA A 6 2.173 10.106 -6.875 1.00 71.24 N ATOM 70 CA ALA A 6 3.565 10.405 -7.186 1.00 62.00 C ATOM 71 C ALA A 6 3.709 11.807 -7.769 1.00 34.20 C ATOM 72 O ALA A 6 4.479 12.024 -8.704 1.00 30.24 O ATOM 73 CB ALA A 6 4.125 9.370 -8.151 1.00 12.20 C ATOM 0 H ALA A 6 2.016 9.768 -5.926 1.00 71.24 H new ATOM 0 HA ALA A 6 4.135 10.366 -6.258 1.00 62.00 H new ATOM 0 HB1 ALA A 6 5.165 9.606 -8.374 1.00 12.20 H new ATOM 0 HB2 ALA A 6 4.067 8.381 -7.697 1.00 12.20 H new ATOM 0 HB3 ALA A 6 3.544 9.381 -9.073 1.00 12.20 H new ATOM 79 N GLU A 7 2.961 12.754 -7.211 1.00 42.11 N ATOM 80 CA GLU A 7 3.005 14.135 -7.678 1.00 61.21 C ATOM 81 C GLU A 7 4.433 14.673 -7.650 1.00 14.51 C ATOM 82 O GLU A 7 4.808 15.507 -8.473 1.00 61.05 O ATOM 83 CB GLU A 7 2.098 15.017 -6.817 1.00 64.22 C ATOM 84 CG GLU A 7 2.691 15.357 -5.460 1.00 32.01 C ATOM 85 CD GLU A 7 2.939 14.128 -4.607 1.00 62.02 C ATOM 86 OE1 GLU A 7 2.050 13.252 -4.556 1.00 50.52 O ATOM 87 OE2 GLU A 7 4.022 14.042 -3.991 1.00 72.51 O ATOM 0 H GLU A 7 2.318 12.590 -6.436 1.00 42.11 H new ATOM 0 HA GLU A 7 2.648 14.156 -8.708 1.00 61.21 H new ATOM 0 HB2 GLU A 7 1.888 15.942 -7.354 1.00 64.22 H new ATOM 0 HB3 GLU A 7 1.144 14.510 -6.671 1.00 64.22 H new ATOM 0 HG2 GLU A 7 3.630 15.892 -5.602 1.00 32.01 H new ATOM 0 HG3 GLU A 7 2.017 16.031 -4.932 1.00 32.01 H new ATOM 94 N GLU A 8 5.222 14.191 -6.696 1.00 23.14 N ATOM 95 CA GLU A 8 6.608 14.625 -6.559 1.00 53.03 C ATOM 96 C GLU A 8 7.478 14.019 -7.656 1.00 63.30 C ATOM 97 O GLU A 8 8.523 14.566 -8.009 1.00 4.43 O ATOM 98 CB GLU A 8 7.155 14.235 -5.185 1.00 12.04 C ATOM 99 CG GLU A 8 7.130 12.739 -4.922 1.00 23.31 C ATOM 100 CD GLU A 8 7.832 12.361 -3.632 1.00 3.21 C ATOM 101 OE1 GLU A 8 8.274 13.276 -2.906 1.00 41.44 O ATOM 102 OE2 GLU A 8 7.940 11.150 -3.348 1.00 74.42 O ATOM 0 H GLU A 8 4.926 13.500 -6.006 1.00 23.14 H new ATOM 0 HA GLU A 8 6.633 15.710 -6.657 1.00 53.03 H new ATOM 0 HB2 GLU A 8 8.180 14.594 -5.096 1.00 12.04 H new ATOM 0 HB3 GLU A 8 6.573 14.741 -4.415 1.00 12.04 H new ATOM 0 HG2 GLU A 8 6.095 12.398 -4.881 1.00 23.31 H new ATOM 0 HG3 GLU A 8 7.604 12.220 -5.755 1.00 23.31 H new ATOM 109 N HIS A 9 7.040 12.884 -8.191 1.00 63.55 N ATOM 110 CA HIS A 9 7.779 12.202 -9.248 1.00 71.33 C ATOM 111 C HIS A 9 7.476 12.821 -10.609 1.00 72.24 C ATOM 112 O HIS A 9 7.997 12.378 -11.633 1.00 71.43 O ATOM 113 CB HIS A 9 7.431 10.713 -9.264 1.00 25.25 C ATOM 114 CG HIS A 9 8.595 9.829 -9.593 1.00 3.53 C ATOM 115 ND1 HIS A 9 9.461 10.082 -10.636 1.00 54.31 N ATOM 116 CD2 HIS A 9 9.036 8.691 -9.008 1.00 73.12 C ATOM 117 CE1 HIS A 9 10.382 9.137 -10.680 1.00 72.53 C ATOM 118 NE2 HIS A 9 10.147 8.280 -9.703 1.00 11.04 N ATOM 0 H HIS A 9 6.178 12.417 -7.910 1.00 63.55 H new ATOM 0 HA HIS A 9 8.844 12.317 -9.045 1.00 71.33 H new ATOM 0 HB2 HIS A 9 7.035 10.430 -8.289 1.00 25.25 H new ATOM 0 HB3 HIS A 9 6.638 10.541 -9.992 1.00 25.25 H new ATOM 0 HD1 HIS A 9 9.400 10.875 -11.274 1.00 54.31 H new ATOM 0 HD2 HIS A 9 8.596 8.198 -8.154 1.00 73.12 H new ATOM 0 HE1 HIS A 9 11.190 9.075 -11.394 1.00 72.53 H new ATOM 126 N ILE A 10 6.630 13.846 -10.613 1.00 24.14 N ATOM 127 CA ILE A 10 6.259 14.525 -11.848 1.00 12.14 C ATOM 128 C ILE A 10 7.343 15.504 -12.284 1.00 64.15 C ATOM 129 O ILE A 10 7.894 15.388 -13.380 1.00 3.15 O ATOM 130 CB ILE A 10 4.929 15.286 -11.693 1.00 75.35 C ATOM 131 CG1 ILE A 10 3.853 14.364 -11.116 1.00 75.55 C ATOM 132 CG2 ILE A 10 4.485 15.853 -13.033 1.00 55.24 C ATOM 133 CD1 ILE A 10 3.620 13.117 -11.941 1.00 33.22 C ATOM 0 H ILE A 10 6.189 14.224 -9.775 1.00 24.14 H new ATOM 0 HA ILE A 10 6.142 13.754 -12.609 1.00 12.14 H new ATOM 0 HB ILE A 10 5.080 16.115 -11.001 1.00 75.35 H new ATOM 0 HG12 ILE A 10 4.139 14.073 -10.105 1.00 75.55 H new ATOM 0 HG13 ILE A 10 2.917 14.917 -11.036 1.00 75.55 H new ATOM 0 HG21 ILE A 10 3.544 16.388 -12.908 1.00 55.24 H new ATOM 0 HG22 ILE A 10 5.245 16.539 -13.408 1.00 55.24 H new ATOM 0 HG23 ILE A 10 4.348 15.039 -13.745 1.00 55.24 H new ATOM 0 HD11 ILE A 10 2.845 12.511 -11.473 1.00 33.22 H new ATOM 0 HD12 ILE A 10 3.303 13.399 -12.945 1.00 33.22 H new ATOM 0 HD13 ILE A 10 4.544 12.542 -12.000 1.00 33.22 H new ATOM 145 N TYR A 11 7.647 16.466 -11.421 1.00 15.43 N ATOM 146 CA TYR A 11 8.665 17.466 -11.717 1.00 44.41 C ATOM 147 C TYR A 11 9.652 17.598 -10.561 1.00 11.42 C ATOM 148 O TYR A 11 9.260 17.855 -9.422 1.00 42.53 O ATOM 149 CB TYR A 11 8.013 18.820 -12.003 1.00 3.21 C ATOM 150 CG TYR A 11 7.478 18.949 -13.411 1.00 51.20 C ATOM 151 CD1 TYR A 11 8.283 19.421 -14.441 1.00 11.24 C ATOM 152 CD2 TYR A 11 6.167 18.600 -13.712 1.00 2.21 C ATOM 153 CE1 TYR A 11 7.798 19.541 -15.729 1.00 11.44 C ATOM 154 CE2 TYR A 11 5.674 18.716 -14.997 1.00 63.21 C ATOM 155 CZ TYR A 11 6.493 19.187 -16.002 1.00 3.01 C ATOM 156 OH TYR A 11 6.006 19.305 -17.283 1.00 74.03 O ATOM 0 H TYR A 11 7.202 16.575 -10.509 1.00 15.43 H new ATOM 0 HA TYR A 11 9.211 17.140 -12.602 1.00 44.41 H new ATOM 0 HB2 TYR A 11 7.197 18.977 -11.297 1.00 3.21 H new ATOM 0 HB3 TYR A 11 8.743 19.610 -11.827 1.00 3.21 H new ATOM 0 HD1 TYR A 11 9.305 19.699 -14.231 1.00 11.24 H new ATOM 0 HD2 TYR A 11 5.522 18.232 -12.928 1.00 2.21 H new ATOM 0 HE1 TYR A 11 8.437 19.910 -16.518 1.00 11.44 H new ATOM 0 HE2 TYR A 11 4.653 18.439 -15.214 1.00 63.21 H new ATOM 0 HH TYR A 11 5.071 19.013 -17.306 1.00 74.03 H new ATOM 166 N ARG A 12 10.934 17.421 -10.862 1.00 40.14 N ATOM 167 CA ARG A 12 11.978 17.520 -9.849 1.00 72.54 C ATOM 168 C ARG A 12 12.124 18.956 -9.357 1.00 12.41 C ATOM 169 O ARG A 12 12.260 19.201 -8.159 1.00 34.44 O ATOM 170 CB ARG A 12 13.312 17.024 -10.411 1.00 74.30 C ATOM 171 CG ARG A 12 13.746 17.745 -11.676 1.00 53.43 C ATOM 172 CD ARG A 12 14.432 16.800 -12.649 1.00 62.24 C ATOM 173 NE ARG A 12 15.181 17.520 -13.676 1.00 24.42 N ATOM 174 CZ ARG A 12 16.012 16.930 -14.529 1.00 11.34 C ATOM 175 NH1 ARG A 12 16.198 15.619 -14.478 1.00 63.54 N ATOM 176 NH2 ARG A 12 16.658 17.653 -15.435 1.00 13.34 N ATOM 0 H ARG A 12 11.275 17.208 -11.799 1.00 40.14 H new ATOM 0 HA ARG A 12 11.691 16.893 -9.005 1.00 72.54 H new ATOM 0 HB2 ARG A 12 14.084 17.145 -9.651 1.00 74.30 H new ATOM 0 HB3 ARG A 12 13.234 15.957 -10.620 1.00 74.30 H new ATOM 0 HG2 ARG A 12 12.877 18.195 -12.156 1.00 53.43 H new ATOM 0 HG3 ARG A 12 14.424 18.558 -11.418 1.00 53.43 H new ATOM 0 HD2 ARG A 12 15.108 16.143 -12.101 1.00 62.24 H new ATOM 0 HD3 ARG A 12 13.685 16.164 -13.124 1.00 62.24 H new ATOM 0 HE ARG A 12 15.060 18.531 -13.742 1.00 24.42 H new ATOM 0 HH11 ARG A 12 15.703 15.060 -13.783 1.00 63.54 H new ATOM 0 HH12 ARG A 12 16.836 15.169 -15.134 1.00 63.54 H new ATOM 0 HH21 ARG A 12 16.517 18.662 -15.477 1.00 13.34 H new ATOM 0 HH22 ARG A 12 17.296 17.199 -16.089 1.00 13.34 H new ATOM 190 N GLU A 13 12.095 19.902 -10.291 1.00 1.45 N ATOM 191 CA GLU A 13 12.226 21.314 -9.951 1.00 13.34 C ATOM 192 C GLU A 13 11.139 21.740 -8.967 1.00 63.11 C ATOM 193 O GLU A 13 11.394 22.508 -8.039 1.00 21.11 O ATOM 194 CB GLU A 13 12.151 22.175 -11.214 1.00 21.24 C ATOM 195 CG GLU A 13 13.389 22.078 -12.090 1.00 14.31 C ATOM 196 CD GLU A 13 13.158 22.619 -13.487 1.00 54.44 C ATOM 197 OE1 GLU A 13 12.377 22.003 -14.242 1.00 32.54 O ATOM 198 OE2 GLU A 13 13.758 23.661 -13.826 1.00 61.24 O ATOM 0 H GLU A 13 11.982 19.716 -11.288 1.00 1.45 H new ATOM 0 HA GLU A 13 13.197 21.459 -9.478 1.00 13.34 H new ATOM 0 HB2 GLU A 13 11.280 21.876 -11.796 1.00 21.24 H new ATOM 0 HB3 GLU A 13 12.000 23.215 -10.926 1.00 21.24 H new ATOM 0 HG2 GLU A 13 14.205 22.628 -11.622 1.00 14.31 H new ATOM 0 HG3 GLU A 13 13.703 21.036 -12.155 1.00 14.31 H new ATOM 205 N ILE A 14 9.928 21.236 -9.178 1.00 61.02 N ATOM 206 CA ILE A 14 8.803 21.563 -8.311 1.00 4.12 C ATOM 207 C ILE A 14 9.100 21.191 -6.862 1.00 2.40 C ATOM 208 O ILE A 14 8.504 21.740 -5.935 1.00 60.54 O ATOM 209 CB ILE A 14 7.518 20.844 -8.760 1.00 71.24 C ATOM 210 CG1 ILE A 14 7.122 21.293 -10.169 1.00 24.43 C ATOM 211 CG2 ILE A 14 6.389 21.112 -7.777 1.00 10.25 C ATOM 212 CD1 ILE A 14 6.734 22.752 -10.251 1.00 52.20 C ATOM 0 H ILE A 14 9.701 20.600 -9.942 1.00 61.02 H new ATOM 0 HA ILE A 14 8.651 22.640 -8.384 1.00 4.12 H new ATOM 0 HB ILE A 14 7.709 19.771 -8.780 1.00 71.24 H new ATOM 0 HG12 ILE A 14 7.954 21.108 -10.848 1.00 24.43 H new ATOM 0 HG13 ILE A 14 6.287 20.683 -10.515 1.00 24.43 H new ATOM 0 HG21 ILE A 14 5.488 20.597 -8.109 1.00 10.25 H new ATOM 0 HG22 ILE A 14 6.672 20.748 -6.789 1.00 10.25 H new ATOM 0 HG23 ILE A 14 6.197 22.184 -7.727 1.00 10.25 H new ATOM 0 HD11 ILE A 14 6.466 23.000 -11.278 1.00 52.20 H new ATOM 0 HD12 ILE A 14 5.882 22.939 -9.598 1.00 52.20 H new ATOM 0 HD13 ILE A 14 7.575 23.370 -9.936 1.00 52.20 H new ATOM 224 N MET A 15 10.027 20.258 -6.674 1.00 60.54 N ATOM 225 CA MET A 15 10.406 19.815 -5.338 1.00 34.35 C ATOM 226 C MET A 15 10.774 21.003 -4.455 1.00 41.22 C ATOM 227 O MET A 15 10.668 20.935 -3.231 1.00 62.42 O ATOM 228 CB MET A 15 11.580 18.838 -5.414 1.00 65.22 C ATOM 229 CG MET A 15 11.922 18.192 -4.081 1.00 42.50 C ATOM 230 SD MET A 15 12.364 16.452 -4.245 1.00 32.02 S ATOM 231 CE MET A 15 10.827 15.666 -3.767 1.00 55.35 C ATOM 0 H MET A 15 10.530 19.794 -7.430 1.00 60.54 H new ATOM 0 HA MET A 15 9.549 19.307 -4.895 1.00 34.35 H new ATOM 0 HB2 MET A 15 11.345 18.057 -6.137 1.00 65.22 H new ATOM 0 HB3 MET A 15 12.457 19.366 -5.788 1.00 65.22 H new ATOM 0 HG2 MET A 15 12.751 18.732 -3.622 1.00 42.50 H new ATOM 0 HG3 MET A 15 11.070 18.284 -3.408 1.00 42.50 H new ATOM 0 HE1 MET A 15 10.941 14.583 -3.818 1.00 55.35 H new ATOM 0 HE2 MET A 15 10.571 15.957 -2.748 1.00 55.35 H new ATOM 0 HE3 MET A 15 10.032 15.979 -4.444 1.00 55.35 H new ATOM 241 N GLU A 16 11.207 22.091 -5.085 1.00 61.33 N ATOM 242 CA GLU A 16 11.592 23.293 -4.356 1.00 1.13 C ATOM 243 C GLU A 16 10.455 23.772 -3.458 1.00 10.12 C ATOM 244 O GLU A 16 10.642 23.983 -2.259 1.00 20.34 O ATOM 245 CB GLU A 16 11.989 24.403 -5.331 1.00 53.30 C ATOM 246 CG GLU A 16 13.363 24.209 -5.948 1.00 64.22 C ATOM 247 CD GLU A 16 14.443 23.982 -4.908 1.00 2.30 C ATOM 248 OE1 GLU A 16 14.818 24.954 -4.219 1.00 52.25 O ATOM 249 OE2 GLU A 16 14.913 22.832 -4.783 1.00 23.03 O ATOM 0 H GLU A 16 11.300 22.164 -6.098 1.00 61.33 H new ATOM 0 HA GLU A 16 12.449 23.048 -3.729 1.00 1.13 H new ATOM 0 HB2 GLU A 16 11.247 24.458 -6.128 1.00 53.30 H new ATOM 0 HB3 GLU A 16 11.967 25.359 -4.808 1.00 53.30 H new ATOM 0 HG2 GLU A 16 13.335 23.358 -6.629 1.00 64.22 H new ATOM 0 HG3 GLU A 16 13.616 25.086 -6.544 1.00 64.22 H new ATOM 256 N LEU A 17 9.276 23.943 -4.046 1.00 64.13 N ATOM 257 CA LEU A 17 8.108 24.398 -3.301 1.00 33.30 C ATOM 258 C LEU A 17 7.426 23.231 -2.593 1.00 55.41 C ATOM 259 O LEU A 17 7.103 23.315 -1.407 1.00 71.05 O ATOM 260 CB LEU A 17 7.117 25.089 -4.239 1.00 43.43 C ATOM 261 CG LEU A 17 6.223 26.155 -3.604 1.00 60.23 C ATOM 262 CD1 LEU A 17 6.734 27.548 -3.937 1.00 11.01 C ATOM 263 CD2 LEU A 17 4.783 25.988 -4.068 1.00 22.02 C ATOM 0 H LEU A 17 9.104 23.773 -5.037 1.00 64.13 H new ATOM 0 HA LEU A 17 8.443 25.111 -2.548 1.00 33.30 H new ATOM 0 HB2 LEU A 17 7.678 25.551 -5.051 1.00 43.43 H new ATOM 0 HB3 LEU A 17 6.478 24.327 -4.686 1.00 43.43 H new ATOM 0 HG LEU A 17 6.252 26.029 -2.522 1.00 60.23 H new ATOM 0 HD11 LEU A 17 6.085 28.293 -3.477 1.00 11.01 H new ATOM 0 HD12 LEU A 17 7.748 27.664 -3.555 1.00 11.01 H new ATOM 0 HD13 LEU A 17 6.735 27.686 -5.018 1.00 11.01 H new ATOM 0 HD21 LEU A 17 4.161 26.755 -3.606 1.00 22.02 H new ATOM 0 HD22 LEU A 17 4.736 26.087 -5.152 1.00 22.02 H new ATOM 0 HD23 LEU A 17 4.419 25.002 -3.778 1.00 22.02 H new ATOM 275 N CYS A 18 7.211 22.145 -3.327 1.00 11.03 N ATOM 276 CA CYS A 18 6.568 20.960 -2.769 1.00 3.43 C ATOM 277 C CYS A 18 7.189 20.586 -1.427 1.00 3.11 C ATOM 278 O CYS A 18 6.491 20.171 -0.502 1.00 32.01 O ATOM 279 CB CYS A 18 6.682 19.787 -3.742 1.00 63.54 C ATOM 280 SG CYS A 18 6.058 18.221 -3.088 1.00 11.14 S ATOM 0 H CYS A 18 7.472 22.060 -4.309 1.00 11.03 H new ATOM 0 HA CYS A 18 5.514 21.189 -2.610 1.00 3.43 H new ATOM 0 HB2 CYS A 18 6.136 20.031 -4.654 1.00 63.54 H new ATOM 0 HB3 CYS A 18 7.728 19.661 -4.021 1.00 63.54 H new ATOM 0 HG CYS A 18 6.196 17.290 -3.985 1.00 11.14 H new ATOM 286 N PHE A 19 8.506 20.734 -1.328 1.00 42.05 N ATOM 287 CA PHE A 19 9.222 20.409 -0.100 1.00 64.05 C ATOM 288 C PHE A 19 8.617 21.142 1.093 1.00 53.33 C ATOM 289 O PHE A 19 8.459 20.571 2.172 1.00 54.12 O ATOM 290 CB PHE A 19 10.703 20.770 -0.238 1.00 11.24 C ATOM 291 CG PHE A 19 11.480 20.610 1.038 1.00 15.41 C ATOM 292 CD1 PHE A 19 11.337 19.471 1.813 1.00 33.05 C ATOM 293 CD2 PHE A 19 12.353 21.599 1.462 1.00 52.25 C ATOM 294 CE1 PHE A 19 12.050 19.322 2.988 1.00 35.10 C ATOM 295 CE2 PHE A 19 13.069 21.456 2.635 1.00 33.51 C ATOM 296 CZ PHE A 19 12.918 20.315 3.399 1.00 74.22 C ATOM 0 H PHE A 19 9.099 21.077 -2.084 1.00 42.05 H new ATOM 0 HA PHE A 19 9.131 19.336 0.071 1.00 64.05 H new ATOM 0 HB2 PHE A 19 11.152 20.143 -1.008 1.00 11.24 H new ATOM 0 HB3 PHE A 19 10.787 21.802 -0.578 1.00 11.24 H new ATOM 0 HD1 PHE A 19 10.661 18.691 1.496 1.00 33.05 H new ATOM 0 HD2 PHE A 19 12.475 22.493 0.868 1.00 52.25 H new ATOM 0 HE1 PHE A 19 11.928 18.430 3.584 1.00 35.10 H new ATOM 0 HE2 PHE A 19 13.746 22.235 2.954 1.00 33.51 H new ATOM 0 HZ PHE A 19 13.477 20.200 4.316 1.00 74.22 H new ATOM 306 N VAL A 20 8.280 22.412 0.891 1.00 50.25 N ATOM 307 CA VAL A 20 7.691 23.225 1.948 1.00 23.23 C ATOM 308 C VAL A 20 6.226 22.865 2.167 1.00 60.22 C ATOM 309 O VAL A 20 5.747 22.831 3.301 1.00 42.22 O ATOM 310 CB VAL A 20 7.797 24.727 1.627 1.00 50.35 C ATOM 311 CG1 VAL A 20 7.031 25.548 2.653 1.00 44.51 C ATOM 312 CG2 VAL A 20 9.255 25.158 1.567 1.00 32.32 C ATOM 0 H VAL A 20 8.405 22.900 0.004 1.00 50.25 H new ATOM 0 HA VAL A 20 8.253 23.016 2.858 1.00 23.23 H new ATOM 0 HB VAL A 20 7.350 24.904 0.649 1.00 50.35 H new ATOM 0 HG11 VAL A 20 7.117 26.607 2.410 1.00 44.51 H new ATOM 0 HG12 VAL A 20 5.981 25.257 2.641 1.00 44.51 H new ATOM 0 HG13 VAL A 20 7.445 25.369 3.645 1.00 44.51 H new ATOM 0 HG21 VAL A 20 9.311 26.222 1.339 1.00 32.32 H new ATOM 0 HG22 VAL A 20 9.731 24.968 2.529 1.00 32.32 H new ATOM 0 HG23 VAL A 20 9.770 24.593 0.790 1.00 32.32 H new ATOM 322 N ILE A 21 5.519 22.596 1.074 1.00 3.02 N ATOM 323 CA ILE A 21 4.109 22.237 1.147 1.00 74.23 C ATOM 324 C ILE A 21 3.915 20.917 1.885 1.00 33.23 C ATOM 325 O ILE A 21 2.886 20.697 2.525 1.00 1.11 O ATOM 326 CB ILE A 21 3.484 22.124 -0.256 1.00 74.33 C ATOM 327 CG1 ILE A 21 3.844 23.349 -1.099 1.00 72.22 C ATOM 328 CG2 ILE A 21 1.973 21.971 -0.153 1.00 25.33 C ATOM 329 CD1 ILE A 21 3.567 24.663 -0.404 1.00 12.31 C ATOM 0 H ILE A 21 5.900 22.620 0.128 1.00 3.02 H new ATOM 0 HA ILE A 21 3.608 23.034 1.696 1.00 74.23 H new ATOM 0 HB ILE A 21 3.887 21.238 -0.746 1.00 74.33 H new ATOM 0 HG12 ILE A 21 4.901 23.302 -1.361 1.00 72.22 H new ATOM 0 HG13 ILE A 21 3.282 23.315 -2.032 1.00 72.22 H new ATOM 0 HG21 ILE A 21 1.546 21.892 -1.153 1.00 25.33 H new ATOM 0 HG22 ILE A 21 1.736 21.071 0.414 1.00 25.33 H new ATOM 0 HG23 ILE A 21 1.553 22.840 0.353 1.00 25.33 H new ATOM 0 HD11 ILE A 21 3.846 25.488 -1.060 1.00 12.31 H new ATOM 0 HD12 ILE A 21 2.506 24.732 -0.166 1.00 12.31 H new ATOM 0 HD13 ILE A 21 4.149 24.718 0.516 1.00 12.31 H new ATOM 341 N ARG A 22 4.911 20.042 1.793 1.00 32.24 N ATOM 342 CA ARG A 22 4.850 18.743 2.453 1.00 3.34 C ATOM 343 C ARG A 22 4.993 18.895 3.965 1.00 24.50 C ATOM 344 O ARG A 22 4.557 18.035 4.731 1.00 75.53 O ATOM 345 CB ARG A 22 5.948 17.823 1.916 1.00 33.31 C ATOM 346 CG ARG A 22 5.802 16.377 2.361 1.00 33.23 C ATOM 347 CD ARG A 22 6.785 16.033 3.470 1.00 55.33 C ATOM 348 NE ARG A 22 6.310 14.929 4.299 1.00 61.30 N ATOM 349 CZ ARG A 22 6.970 14.467 5.355 1.00 33.25 C ATOM 350 NH1 ARG A 22 8.125 15.012 5.710 1.00 64.43 N ATOM 351 NH2 ARG A 22 6.473 13.458 6.060 1.00 1.23 N ATOM 0 H ARG A 22 5.770 20.209 1.268 1.00 32.24 H new ATOM 0 HA ARG A 22 3.877 18.300 2.240 1.00 3.34 H new ATOM 0 HB2 ARG A 22 5.942 17.861 0.827 1.00 33.31 H new ATOM 0 HB3 ARG A 22 6.917 18.199 2.243 1.00 33.31 H new ATOM 0 HG2 ARG A 22 4.784 16.203 2.709 1.00 33.23 H new ATOM 0 HG3 ARG A 22 5.965 15.715 1.510 1.00 33.23 H new ATOM 0 HD2 ARG A 22 7.748 15.769 3.032 1.00 55.33 H new ATOM 0 HD3 ARG A 22 6.949 16.911 4.095 1.00 55.33 H new ATOM 0 HE ARG A 22 5.423 14.489 4.054 1.00 61.30 H new ATOM 0 HH11 ARG A 22 8.509 15.788 5.172 1.00 64.43 H new ATOM 0 HH12 ARG A 22 8.629 14.655 6.521 1.00 64.43 H new ATOM 0 HH21 ARG A 22 5.584 13.037 5.791 1.00 1.23 H new ATOM 0 HH22 ARG A 22 6.980 13.104 6.871 1.00 1.23 H new ATOM 365 N THR A 23 5.609 19.994 4.389 1.00 20.01 N ATOM 366 CA THR A 23 5.812 20.258 5.808 1.00 35.51 C ATOM 367 C THR A 23 4.499 20.621 6.493 1.00 50.45 C ATOM 368 O THR A 23 4.204 20.139 7.585 1.00 35.23 O ATOM 369 CB THR A 23 6.825 21.396 6.029 1.00 64.01 C ATOM 370 OG1 THR A 23 6.189 22.664 5.831 1.00 23.42 O ATOM 371 CG2 THR A 23 8.006 21.261 5.079 1.00 53.42 C ATOM 0 H THR A 23 5.976 20.716 3.769 1.00 20.01 H new ATOM 0 HA THR A 23 6.206 19.341 6.246 1.00 35.51 H new ATOM 0 HB THR A 23 7.193 21.331 7.053 1.00 64.01 H new ATOM 0 HG1 THR A 23 6.281 22.933 4.893 1.00 23.42 H new ATOM 0 HG21 THR A 23 8.708 22.076 5.254 1.00 53.42 H new ATOM 0 HG22 THR A 23 8.506 20.308 5.253 1.00 53.42 H new ATOM 0 HG23 THR A 23 7.651 21.302 4.049 1.00 53.42 H new ATOM 379 N MET A 24 3.715 21.475 5.842 1.00 34.23 N ATOM 380 CA MET A 24 2.432 21.901 6.389 1.00 54.43 C ATOM 381 C MET A 24 1.346 20.870 6.096 1.00 2.41 C ATOM 382 O MET A 24 0.693 20.367 7.009 1.00 10.15 O ATOM 383 CB MET A 24 2.032 23.259 5.808 1.00 53.03 C ATOM 384 CG MET A 24 3.028 24.367 6.110 1.00 32.31 C ATOM 385 SD MET A 24 3.219 24.665 7.878 1.00 23.10 S ATOM 386 CE MET A 24 1.780 25.679 8.208 1.00 5.31 C ATOM 0 H MET A 24 3.945 21.885 4.937 1.00 34.23 H new ATOM 0 HA MET A 24 2.539 21.993 7.470 1.00 54.43 H new ATOM 0 HB2 MET A 24 1.923 23.165 4.728 1.00 53.03 H new ATOM 0 HB3 MET A 24 1.056 23.541 6.204 1.00 53.03 H new ATOM 0 HG2 MET A 24 3.996 24.106 5.683 1.00 32.31 H new ATOM 0 HG3 MET A 24 2.702 25.286 5.624 1.00 32.31 H new ATOM 0 HE1 MET A 24 1.758 25.946 9.265 1.00 5.31 H new ATOM 0 HE2 MET A 24 1.828 26.586 7.606 1.00 5.31 H new ATOM 0 HE3 MET A 24 0.877 25.123 7.955 1.00 5.31 H new ATOM 396 N ALA A 25 1.159 20.561 4.817 1.00 3.22 N ATOM 397 CA ALA A 25 0.154 19.589 4.405 1.00 4.13 C ATOM 398 C ALA A 25 0.776 18.213 4.193 1.00 21.15 C ATOM 399 O ALA A 25 1.677 18.048 3.371 1.00 42.41 O ATOM 400 CB ALA A 25 -0.543 20.056 3.136 1.00 1.32 C ATOM 0 H ALA A 25 1.690 20.970 4.048 1.00 3.22 H new ATOM 0 HA ALA A 25 -0.584 19.506 5.203 1.00 4.13 H new ATOM 0 HB1 ALA A 25 -1.291 19.320 2.840 1.00 1.32 H new ATOM 0 HB2 ALA A 25 -1.029 21.014 3.319 1.00 1.32 H new ATOM 0 HB3 ALA A 25 0.191 20.168 2.338 1.00 1.32 H new ATOM 406 N ARG A 26 0.290 17.228 4.941 1.00 31.41 N ATOM 407 CA ARG A 26 0.800 15.866 4.836 1.00 32.21 C ATOM 408 C ARG A 26 0.011 15.068 3.802 1.00 51.12 C ATOM 409 O ARG A 26 0.138 13.846 3.715 1.00 4.33 O ATOM 410 CB ARG A 26 0.732 15.167 6.195 1.00 34.22 C ATOM 411 CG ARG A 26 1.410 15.941 7.313 1.00 1.42 C ATOM 412 CD ARG A 26 1.956 15.010 8.384 1.00 2.23 C ATOM 413 NE ARG A 26 3.273 15.430 8.855 1.00 2.42 N ATOM 414 CZ ARG A 26 3.842 14.962 9.960 1.00 25.12 C ATOM 415 NH1 ARG A 26 3.214 14.062 10.704 1.00 54.14 N ATOM 416 NH2 ARG A 26 5.044 15.393 10.323 1.00 12.11 N ATOM 0 H ARG A 26 -0.456 17.347 5.626 1.00 31.41 H new ATOM 0 HA ARG A 26 1.840 15.918 4.513 1.00 32.21 H new ATOM 0 HB2 ARG A 26 -0.313 15.005 6.459 1.00 34.22 H new ATOM 0 HB3 ARG A 26 1.196 14.184 6.112 1.00 34.22 H new ATOM 0 HG2 ARG A 26 2.222 16.540 6.901 1.00 1.42 H new ATOM 0 HG3 ARG A 26 0.698 16.634 7.761 1.00 1.42 H new ATOM 0 HD2 ARG A 26 1.263 14.979 9.225 1.00 2.23 H new ATOM 0 HD3 ARG A 26 2.019 13.997 7.986 1.00 2.23 H new ATOM 0 HE ARG A 26 3.784 16.121 8.305 1.00 2.42 H new ATOM 0 HH11 ARG A 26 2.291 13.727 10.428 1.00 54.14 H new ATOM 0 HH12 ARG A 26 3.654 13.705 11.552 1.00 54.14 H new ATOM 0 HH21 ARG A 26 5.531 16.084 9.753 1.00 12.11 H new ATOM 0 HH22 ARG A 26 5.480 15.033 11.172 1.00 12.11 H new ATOM 430 N HIS A 27 -0.805 15.767 3.019 1.00 2.41 N ATOM 431 CA HIS A 27 -1.615 15.125 1.990 1.00 24.53 C ATOM 432 C HIS A 27 -0.739 14.321 1.033 1.00 13.31 C ATOM 433 O HIS A 27 -1.214 13.400 0.368 1.00 45.33 O ATOM 434 CB HIS A 27 -2.414 16.171 1.213 1.00 60.31 C ATOM 435 CG HIS A 27 -3.558 16.748 1.988 1.00 32.21 C ATOM 436 ND1 HIS A 27 -4.873 16.629 1.590 1.00 30.31 N ATOM 437 CD2 HIS A 27 -3.579 17.450 3.145 1.00 0.10 C ATOM 438 CE1 HIS A 27 -5.653 17.234 2.468 1.00 40.12 C ATOM 439 NE2 HIS A 27 -4.892 17.741 3.422 1.00 74.55 N ATOM 0 H HIS A 27 -0.923 16.778 3.078 1.00 2.41 H new ATOM 0 HA HIS A 27 -2.308 14.442 2.481 1.00 24.53 H new ATOM 0 HB2 HIS A 27 -1.745 16.978 0.913 1.00 60.31 H new ATOM 0 HB3 HIS A 27 -2.797 15.718 0.299 1.00 60.31 H new ATOM 0 HD2 HIS A 27 -2.722 17.729 3.740 1.00 0.10 H new ATOM 0 HE1 HIS A 27 -6.730 17.303 2.415 1.00 40.12 H new ATOM 0 HE2 HIS A 27 -5.226 18.263 4.232 1.00 74.55 H new ATOM 447 N ARG A 28 0.540 14.677 0.968 1.00 14.05 N ATOM 448 CA ARG A 28 1.480 13.991 0.091 1.00 21.42 C ATOM 449 C ARG A 28 1.400 12.479 0.285 1.00 45.11 C ATOM 450 O ARG A 28 1.628 11.711 -0.650 1.00 22.24 O ATOM 451 CB ARG A 28 2.906 14.475 0.358 1.00 3.33 C ATOM 452 CG ARG A 28 3.818 14.382 -0.854 1.00 24.40 C ATOM 453 CD ARG A 28 4.454 13.005 -0.968 1.00 21.22 C ATOM 454 NE ARG A 28 5.861 13.017 -0.575 1.00 52.33 N ATOM 455 CZ ARG A 28 6.573 11.917 -0.357 1.00 15.23 C ATOM 456 NH1 ARG A 28 6.012 10.723 -0.492 1.00 1.31 N ATOM 457 NH2 ARG A 28 7.848 12.010 -0.002 1.00 51.24 N ATOM 0 H ARG A 28 0.948 15.437 1.512 1.00 14.05 H new ATOM 0 HA ARG A 28 1.212 14.223 -0.940 1.00 21.42 H new ATOM 0 HB2 ARG A 28 2.872 15.510 0.698 1.00 3.33 H new ATOM 0 HB3 ARG A 28 3.334 13.887 1.170 1.00 3.33 H new ATOM 0 HG2 ARG A 28 3.247 14.596 -1.758 1.00 24.40 H new ATOM 0 HG3 ARG A 28 4.598 15.140 -0.783 1.00 24.40 H new ATOM 0 HD2 ARG A 28 3.908 12.301 -0.340 1.00 21.22 H new ATOM 0 HD3 ARG A 28 4.368 12.650 -1.995 1.00 21.22 H new ATOM 0 HE ARG A 28 6.322 13.920 -0.462 1.00 52.33 H new ATOM 0 HH11 ARG A 28 5.032 10.648 -0.764 1.00 1.31 H new ATOM 0 HH12 ARG A 28 6.561 9.880 -0.324 1.00 1.31 H new ATOM 0 HH21 ARG A 28 8.282 12.927 0.104 1.00 51.24 H new ATOM 0 HH22 ARG A 28 8.394 11.165 0.165 1.00 51.24 H new ATOM 471 N ARG A 29 1.076 12.060 1.504 1.00 45.31 N ATOM 472 CA ARG A 29 0.969 10.641 1.821 1.00 54.34 C ATOM 473 C ARG A 29 -0.188 10.001 1.059 1.00 62.53 C ATOM 474 O ARG A 29 -0.097 8.853 0.622 1.00 23.14 O ATOM 475 CB ARG A 29 0.772 10.446 3.325 1.00 4.21 C ATOM 476 CG ARG A 29 1.041 9.026 3.795 1.00 32.12 C ATOM 477 CD ARG A 29 1.084 8.940 5.313 1.00 41.21 C ATOM 478 NE ARG A 29 2.426 9.179 5.836 1.00 25.34 N ATOM 479 CZ ARG A 29 3.390 8.264 5.833 1.00 12.02 C ATOM 480 NH1 ARG A 29 3.160 7.056 5.336 1.00 2.51 N ATOM 481 NH2 ARG A 29 4.586 8.557 6.328 1.00 71.44 N ATOM 0 H ARG A 29 0.883 12.683 2.288 1.00 45.31 H new ATOM 0 HA ARG A 29 1.896 10.155 1.517 1.00 54.34 H new ATOM 0 HB2 ARG A 29 1.432 11.128 3.861 1.00 4.21 H new ATOM 0 HB3 ARG A 29 -0.250 10.719 3.588 1.00 4.21 H new ATOM 0 HG2 ARG A 29 0.265 8.362 3.414 1.00 32.12 H new ATOM 0 HG3 ARG A 29 1.988 8.679 3.383 1.00 32.12 H new ATOM 0 HD2 ARG A 29 0.394 9.670 5.737 1.00 41.21 H new ATOM 0 HD3 ARG A 29 0.741 7.955 5.630 1.00 41.21 H new ATOM 0 HE ARG A 29 2.635 10.098 6.225 1.00 25.34 H new ATOM 0 HH11 ARG A 29 2.242 6.828 4.955 1.00 2.51 H new ATOM 0 HH12 ARG A 29 3.901 6.355 5.335 1.00 2.51 H new ATOM 0 HH21 ARG A 29 4.766 9.485 6.711 1.00 71.44 H new ATOM 0 HH22 ARG A 29 5.325 7.854 6.325 1.00 71.44 H new ATOM 495 N ASP A 30 -1.274 10.749 0.903 1.00 0.43 N ATOM 496 CA ASP A 30 -2.448 10.255 0.194 1.00 53.21 C ATOM 497 C ASP A 30 -2.326 10.512 -1.305 1.00 0.42 C ATOM 498 O ASP A 30 -2.821 9.736 -2.121 1.00 23.33 O ATOM 499 CB ASP A 30 -3.715 10.919 0.736 1.00 10.11 C ATOM 500 CG ASP A 30 -4.116 10.378 2.094 1.00 12.03 C ATOM 501 OD1 ASP A 30 -3.323 10.521 3.048 1.00 43.44 O ATOM 502 OD2 ASP A 30 -5.223 9.810 2.204 1.00 54.32 O ATOM 0 H ASP A 30 -1.366 11.701 1.258 1.00 0.43 H new ATOM 0 HA ASP A 30 -2.513 9.179 0.356 1.00 53.21 H new ATOM 0 HB2 ASP A 30 -3.555 11.995 0.809 1.00 10.11 H new ATOM 0 HB3 ASP A 30 -4.532 10.766 0.031 1.00 10.11 H new ATOM 507 N GLY A 31 -1.664 11.609 -1.660 1.00 2.40 N ATOM 508 CA GLY A 31 -1.490 11.950 -3.060 1.00 4.22 C ATOM 509 C GLY A 31 -1.044 13.386 -3.256 1.00 20.31 C ATOM 510 O GLY A 31 0.057 13.763 -2.854 1.00 32.24 O ATOM 0 H GLY A 31 -1.245 12.268 -1.003 1.00 2.40 H new ATOM 0 HA2 GLY A 31 -0.754 11.280 -3.505 1.00 4.22 H new ATOM 0 HA3 GLY A 31 -2.429 11.789 -3.589 1.00 4.22 H new ATOM 514 N LYS A 32 -1.900 14.190 -3.878 1.00 20.53 N ATOM 515 CA LYS A 32 -1.590 15.592 -4.128 1.00 3.13 C ATOM 516 C LYS A 32 -1.663 16.404 -2.838 1.00 73.24 C ATOM 517 O LYS A 32 -2.386 16.044 -1.908 1.00 45.32 O ATOM 518 CB LYS A 32 -2.555 16.172 -5.164 1.00 43.40 C ATOM 519 CG LYS A 32 -2.841 15.232 -6.322 1.00 34.02 C ATOM 520 CD LYS A 32 -1.562 14.792 -7.013 1.00 43.32 C ATOM 521 CE LYS A 32 -0.836 15.971 -7.644 1.00 71.34 C ATOM 522 NZ LYS A 32 -1.740 16.782 -8.506 1.00 32.12 N ATOM 0 H LYS A 32 -2.815 13.894 -4.218 1.00 20.53 H new ATOM 0 HA LYS A 32 -0.573 15.650 -4.516 1.00 3.13 H new ATOM 0 HB2 LYS A 32 -3.494 16.425 -4.672 1.00 43.40 H new ATOM 0 HB3 LYS A 32 -2.140 17.101 -5.555 1.00 43.40 H new ATOM 0 HG2 LYS A 32 -3.378 14.356 -5.957 1.00 34.02 H new ATOM 0 HG3 LYS A 32 -3.492 15.728 -7.042 1.00 34.02 H new ATOM 0 HD2 LYS A 32 -0.907 14.304 -6.292 1.00 43.32 H new ATOM 0 HD3 LYS A 32 -1.797 14.055 -7.781 1.00 43.32 H new ATOM 0 HE2 LYS A 32 -0.419 16.603 -6.860 1.00 71.34 H new ATOM 0 HE3 LYS A 32 0.002 15.606 -8.238 1.00 71.34 H new ATOM 0 HZ1 LYS A 32 -1.253 17.018 -9.394 1.00 32.12 H new ATOM 0 HZ2 LYS A 32 -2.600 16.237 -8.717 1.00 32.12 H new ATOM 0 HZ3 LYS A 32 -1.999 17.658 -8.010 1.00 32.12 H new ATOM 536 N ILE A 33 -0.913 17.500 -2.791 1.00 33.40 N ATOM 537 CA ILE A 33 -0.896 18.363 -1.617 1.00 34.24 C ATOM 538 C ILE A 33 -1.605 19.684 -1.895 1.00 72.12 C ATOM 539 O ILE A 33 -1.663 20.139 -3.037 1.00 73.11 O ATOM 540 CB ILE A 33 0.543 18.653 -1.152 1.00 40.41 C ATOM 541 CG1 ILE A 33 1.406 17.396 -1.276 1.00 33.22 C ATOM 542 CG2 ILE A 33 0.544 19.164 0.281 1.00 42.41 C ATOM 543 CD1 ILE A 33 2.842 17.604 -0.849 1.00 70.01 C ATOM 0 H ILE A 33 -0.309 17.811 -3.552 1.00 33.40 H new ATOM 0 HA ILE A 33 -1.424 17.830 -0.826 1.00 34.24 H new ATOM 0 HB ILE A 33 0.967 19.426 -1.793 1.00 40.41 H new ATOM 0 HG12 ILE A 33 0.967 16.603 -0.671 1.00 33.22 H new ATOM 0 HG13 ILE A 33 1.389 17.054 -2.311 1.00 33.22 H new ATOM 0 HG21 ILE A 33 1.568 19.364 0.595 1.00 42.41 H new ATOM 0 HG22 ILE A 33 -0.040 20.082 0.340 1.00 42.41 H new ATOM 0 HG23 ILE A 33 0.104 18.412 0.936 1.00 42.41 H new ATOM 0 HD11 ILE A 33 3.394 16.671 -0.964 1.00 70.01 H new ATOM 0 HD12 ILE A 33 3.298 18.375 -1.470 1.00 70.01 H new ATOM 0 HD13 ILE A 33 2.870 17.916 0.195 1.00 70.01 H new ATOM 555 N GLN A 34 -2.141 20.295 -0.843 1.00 42.15 N ATOM 556 CA GLN A 34 -2.845 21.565 -0.975 1.00 42.13 C ATOM 557 C GLN A 34 -2.694 22.405 0.289 1.00 42.03 C ATOM 558 O GLN A 34 -2.744 21.883 1.403 1.00 51.52 O ATOM 559 CB GLN A 34 -4.327 21.323 -1.267 1.00 2.10 C ATOM 560 CG GLN A 34 -4.575 20.539 -2.546 1.00 11.53 C ATOM 561 CD GLN A 34 -4.497 19.040 -2.336 1.00 1.11 C ATOM 562 OE1 GLN A 34 -4.292 18.568 -1.217 1.00 52.03 O ATOM 563 NE2 GLN A 34 -4.660 18.282 -3.414 1.00 32.02 N ATOM 0 H GLN A 34 -2.101 19.931 0.109 1.00 42.15 H new ATOM 0 HA GLN A 34 -2.403 22.112 -1.808 1.00 42.13 H new ATOM 0 HB2 GLN A 34 -4.771 20.785 -0.429 1.00 2.10 H new ATOM 0 HB3 GLN A 34 -4.837 22.284 -1.335 1.00 2.10 H new ATOM 0 HG2 GLN A 34 -5.558 20.796 -2.940 1.00 11.53 H new ATOM 0 HG3 GLN A 34 -3.843 20.835 -3.297 1.00 11.53 H new ATOM 0 HE21 GLN A 34 -4.828 18.716 -4.322 1.00 32.02 H new ATOM 0 HE22 GLN A 34 -4.617 17.266 -3.334 1.00 32.02 H new ATOM 572 N VAL A 35 -2.508 23.709 0.108 1.00 20.24 N ATOM 573 CA VAL A 35 -2.350 24.622 1.234 1.00 32.54 C ATOM 574 C VAL A 35 -2.788 26.034 0.863 1.00 73.33 C ATOM 575 O VAL A 35 -2.673 26.449 -0.291 1.00 63.20 O ATOM 576 CB VAL A 35 -0.891 24.661 1.725 1.00 64.03 C ATOM 577 CG1 VAL A 35 -0.549 23.390 2.488 1.00 41.24 C ATOM 578 CG2 VAL A 35 0.059 24.861 0.553 1.00 2.14 C ATOM 0 H VAL A 35 -2.463 24.157 -0.807 1.00 20.24 H new ATOM 0 HA VAL A 35 -2.985 24.247 2.036 1.00 32.54 H new ATOM 0 HB VAL A 35 -0.777 25.505 2.405 1.00 64.03 H new ATOM 0 HG11 VAL A 35 0.486 23.436 2.827 1.00 41.24 H new ATOM 0 HG12 VAL A 35 -1.209 23.294 3.350 1.00 41.24 H new ATOM 0 HG13 VAL A 35 -0.679 22.527 1.834 1.00 41.24 H new ATOM 0 HG21 VAL A 35 1.086 24.886 0.917 1.00 2.14 H new ATOM 0 HG22 VAL A 35 -0.056 24.038 -0.153 1.00 2.14 H new ATOM 0 HG23 VAL A 35 -0.172 25.802 0.054 1.00 2.14 H new ATOM 588 N THR A 36 -3.292 26.770 1.848 1.00 31.04 N ATOM 589 CA THR A 36 -3.749 28.136 1.626 1.00 65.03 C ATOM 590 C THR A 36 -2.588 29.122 1.695 1.00 22.24 C ATOM 591 O THR A 36 -1.587 28.871 2.366 1.00 24.24 O ATOM 592 CB THR A 36 -4.818 28.546 2.656 1.00 41.04 C ATOM 593 OG1 THR A 36 -4.353 28.269 3.981 1.00 1.04 O ATOM 594 CG2 THR A 36 -6.123 27.805 2.405 1.00 23.12 C ATOM 0 H THR A 36 -3.394 26.442 2.809 1.00 31.04 H new ATOM 0 HA THR A 36 -4.188 28.164 0.628 1.00 65.03 H new ATOM 0 HB THR A 36 -5.000 29.616 2.552 1.00 41.04 H new ATOM 0 HG1 THR A 36 -5.038 28.534 4.630 1.00 1.04 H new ATOM 0 HG21 THR A 36 -6.863 28.111 3.145 1.00 23.12 H new ATOM 0 HG22 THR A 36 -6.489 28.041 1.406 1.00 23.12 H new ATOM 0 HG23 THR A 36 -5.953 26.731 2.484 1.00 23.12 H new ATOM 602 N PHE A 37 -2.729 30.245 0.999 1.00 64.44 N ATOM 603 CA PHE A 37 -1.691 31.269 0.981 1.00 23.25 C ATOM 604 C PHE A 37 -1.279 31.650 2.401 1.00 61.44 C ATOM 605 O PHE A 37 -0.093 31.690 2.725 1.00 42.02 O ATOM 606 CB PHE A 37 -2.181 32.509 0.230 1.00 25.35 C ATOM 607 CG PHE A 37 -1.347 33.732 0.485 1.00 63.12 C ATOM 608 CD1 PHE A 37 0.037 33.664 0.444 1.00 55.43 C ATOM 609 CD2 PHE A 37 -1.946 34.949 0.765 1.00 13.14 C ATOM 610 CE1 PHE A 37 0.807 34.788 0.677 1.00 52.21 C ATOM 611 CE2 PHE A 37 -1.181 36.076 0.999 1.00 53.20 C ATOM 612 CZ PHE A 37 0.197 35.995 0.956 1.00 51.41 C ATOM 0 H PHE A 37 -3.552 30.469 0.440 1.00 64.44 H new ATOM 0 HA PHE A 37 -0.821 30.861 0.466 1.00 23.25 H new ATOM 0 HB2 PHE A 37 -2.185 32.298 -0.839 1.00 25.35 H new ATOM 0 HB3 PHE A 37 -3.212 32.715 0.518 1.00 25.35 H new ATOM 0 HD1 PHE A 37 0.519 32.722 0.228 1.00 55.43 H new ATOM 0 HD2 PHE A 37 -3.023 35.018 0.801 1.00 13.14 H new ATOM 0 HE1 PHE A 37 1.884 34.722 0.641 1.00 52.21 H new ATOM 0 HE2 PHE A 37 -1.660 37.019 1.215 1.00 53.20 H new ATOM 0 HZ PHE A 37 0.797 36.874 1.140 1.00 51.41 H new ATOM 622 N GLY A 38 -2.269 31.929 3.243 1.00 20.11 N ATOM 623 CA GLY A 38 -1.990 32.304 4.617 1.00 33.41 C ATOM 624 C GLY A 38 -1.077 31.315 5.314 1.00 61.32 C ATOM 625 O GLY A 38 -0.116 31.707 5.974 1.00 2.42 O ATOM 0 H GLY A 38 -3.259 31.902 2.998 1.00 20.11 H new ATOM 0 HA2 GLY A 38 -1.531 33.292 4.634 1.00 33.41 H new ATOM 0 HA3 GLY A 38 -2.928 32.378 5.168 1.00 33.41 H new ATOM 629 N GLU A 39 -1.379 30.028 5.168 1.00 45.23 N ATOM 630 CA GLU A 39 -0.578 28.981 5.791 1.00 22.00 C ATOM 631 C GLU A 39 0.822 28.933 5.185 1.00 73.53 C ATOM 632 O GLU A 39 1.823 28.950 5.902 1.00 34.44 O ATOM 633 CB GLU A 39 -1.262 27.622 5.631 1.00 31.23 C ATOM 634 CG GLU A 39 -2.305 27.336 6.698 1.00 14.44 C ATOM 635 CD GLU A 39 -2.562 25.853 6.881 1.00 12.24 C ATOM 636 OE1 GLU A 39 -2.097 25.061 6.036 1.00 44.12 O ATOM 637 OE2 GLU A 39 -3.229 25.485 7.871 1.00 31.11 O ATOM 0 H GLU A 39 -2.172 29.686 4.624 1.00 45.23 H new ATOM 0 HA GLU A 39 -0.487 29.212 6.852 1.00 22.00 H new ATOM 0 HB2 GLU A 39 -1.736 27.576 4.650 1.00 31.23 H new ATOM 0 HB3 GLU A 39 -0.505 26.838 5.656 1.00 31.23 H new ATOM 0 HG2 GLU A 39 -1.977 27.763 7.645 1.00 14.44 H new ATOM 0 HG3 GLU A 39 -3.238 27.832 6.431 1.00 14.44 H new ATOM 644 N LEU A 40 0.884 28.871 3.859 1.00 13.41 N ATOM 645 CA LEU A 40 2.160 28.820 3.154 1.00 21.25 C ATOM 646 C LEU A 40 3.061 29.977 3.575 1.00 61.35 C ATOM 647 O LEU A 40 4.221 29.775 3.934 1.00 22.10 O ATOM 648 CB LEU A 40 1.932 28.859 1.642 1.00 22.14 C ATOM 649 CG LEU A 40 2.423 27.641 0.858 1.00 13.40 C ATOM 650 CD1 LEU A 40 2.097 27.792 -0.620 1.00 35.32 C ATOM 651 CD2 LEU A 40 3.918 27.445 1.059 1.00 63.13 C ATOM 0 H LEU A 40 0.065 28.855 3.251 1.00 13.41 H new ATOM 0 HA LEU A 40 2.655 27.885 3.416 1.00 21.25 H new ATOM 0 HB2 LEU A 40 0.864 28.978 1.459 1.00 22.14 H new ATOM 0 HB3 LEU A 40 2.425 29.746 1.243 1.00 22.14 H new ATOM 0 HG LEU A 40 1.907 26.758 1.235 1.00 13.40 H new ATOM 0 HD11 LEU A 40 2.454 26.916 -1.163 1.00 35.32 H new ATOM 0 HD12 LEU A 40 1.018 27.883 -0.747 1.00 35.32 H new ATOM 0 HD13 LEU A 40 2.585 28.685 -1.011 1.00 35.32 H new ATOM 0 HD21 LEU A 40 4.250 26.574 0.494 1.00 63.13 H new ATOM 0 HD22 LEU A 40 4.451 28.329 0.709 1.00 63.13 H new ATOM 0 HD23 LEU A 40 4.126 27.291 2.118 1.00 63.13 H new ATOM 663 N PHE A 41 2.519 31.189 3.529 1.00 51.15 N ATOM 664 CA PHE A 41 3.273 32.379 3.905 1.00 22.35 C ATOM 665 C PHE A 41 3.744 32.288 5.354 1.00 22.20 C ATOM 666 O PHE A 41 4.926 32.471 5.646 1.00 11.45 O ATOM 667 CB PHE A 41 2.418 33.633 3.713 1.00 21.12 C ATOM 668 CG PHE A 41 3.219 34.902 3.659 1.00 3.35 C ATOM 669 CD1 PHE A 41 3.789 35.328 2.470 1.00 35.10 C ATOM 670 CD2 PHE A 41 3.403 35.670 4.798 1.00 12.01 C ATOM 671 CE1 PHE A 41 4.527 36.495 2.418 1.00 12.12 C ATOM 672 CE2 PHE A 41 4.140 36.838 4.752 1.00 11.52 C ATOM 673 CZ PHE A 41 4.702 37.252 3.560 1.00 33.13 C ATOM 0 H PHE A 41 1.560 31.373 3.235 1.00 51.15 H new ATOM 0 HA PHE A 41 4.149 32.443 3.259 1.00 22.35 H new ATOM 0 HB2 PHE A 41 1.845 33.535 2.791 1.00 21.12 H new ATOM 0 HB3 PHE A 41 1.699 33.701 4.529 1.00 21.12 H new ATOM 0 HD1 PHE A 41 3.655 34.741 1.573 1.00 35.10 H new ATOM 0 HD2 PHE A 41 2.965 35.352 5.733 1.00 12.01 H new ATOM 0 HE1 PHE A 41 4.967 36.815 1.485 1.00 12.12 H new ATOM 0 HE2 PHE A 41 4.276 37.427 5.647 1.00 11.52 H new ATOM 0 HZ PHE A 41 5.277 38.165 3.521 1.00 33.13 H new ATOM 683 N ASP A 42 2.811 32.004 6.256 1.00 24.22 N ATOM 684 CA ASP A 42 3.130 31.888 7.675 1.00 73.24 C ATOM 685 C ASP A 42 4.191 30.817 7.907 1.00 2.25 C ATOM 686 O ASP A 42 4.837 30.787 8.955 1.00 31.13 O ATOM 687 CB ASP A 42 1.870 31.557 8.476 1.00 11.45 C ATOM 688 CG ASP A 42 1.276 32.778 9.151 1.00 2.40 C ATOM 689 OD1 ASP A 42 1.037 33.786 8.452 1.00 62.50 O ATOM 690 OD2 ASP A 42 1.050 32.727 10.378 1.00 72.31 O ATOM 0 H ASP A 42 1.828 31.850 6.030 1.00 24.22 H new ATOM 0 HA ASP A 42 3.526 32.845 8.014 1.00 73.24 H new ATOM 0 HB2 ASP A 42 1.127 31.115 7.813 1.00 11.45 H new ATOM 0 HB3 ASP A 42 2.109 30.808 9.231 1.00 11.45 H new ATOM 695 N ARG A 43 4.365 29.940 6.924 1.00 4.03 N ATOM 696 CA ARG A 43 5.347 28.866 7.023 1.00 13.43 C ATOM 697 C ARG A 43 6.668 29.277 6.380 1.00 21.30 C ATOM 698 O ARG A 43 7.742 28.893 6.844 1.00 31.24 O ATOM 699 CB ARG A 43 4.815 27.597 6.355 1.00 15.15 C ATOM 700 CG ARG A 43 5.878 26.535 6.132 1.00 63.31 C ATOM 701 CD ARG A 43 6.554 26.140 7.436 1.00 72.32 C ATOM 702 NE ARG A 43 7.653 25.203 7.221 1.00 44.03 N ATOM 703 CZ ARG A 43 8.248 24.530 8.200 1.00 40.42 C ATOM 704 NH1 ARG A 43 7.851 24.690 9.455 1.00 75.35 N ATOM 705 NH2 ARG A 43 9.242 23.696 7.924 1.00 22.24 N ATOM 0 H ARG A 43 3.839 29.952 6.050 1.00 4.03 H new ATOM 0 HA ARG A 43 5.524 28.665 8.080 1.00 13.43 H new ATOM 0 HB2 ARG A 43 4.019 27.179 6.971 1.00 15.15 H new ATOM 0 HB3 ARG A 43 4.370 27.861 5.396 1.00 15.15 H new ATOM 0 HG2 ARG A 43 5.425 25.655 5.675 1.00 63.31 H new ATOM 0 HG3 ARG A 43 6.626 26.908 5.432 1.00 63.31 H new ATOM 0 HD2 ARG A 43 6.931 27.033 7.934 1.00 72.32 H new ATOM 0 HD3 ARG A 43 5.819 25.690 8.103 1.00 72.32 H new ATOM 0 HE ARG A 43 7.982 25.057 6.267 1.00 44.03 H new ATOM 0 HH11 ARG A 43 7.087 25.331 9.671 1.00 75.35 H new ATOM 0 HH12 ARG A 43 8.309 24.172 10.205 1.00 75.35 H new ATOM 0 HH21 ARG A 43 9.550 23.571 6.960 1.00 22.24 H new ATOM 0 HH22 ARG A 43 9.698 23.180 8.676 1.00 22.24 H new ATOM 719 N TYR A 44 6.581 30.058 5.309 1.00 23.22 N ATOM 720 CA TYR A 44 7.769 30.518 4.600 1.00 25.23 C ATOM 721 C TYR A 44 8.427 31.681 5.336 1.00 13.52 C ATOM 722 O TYR A 44 9.630 31.910 5.212 1.00 51.13 O ATOM 723 CB TYR A 44 7.407 30.940 3.175 1.00 4.24 C ATOM 724 CG TYR A 44 7.901 29.981 2.116 1.00 43.54 C ATOM 725 CD1 TYR A 44 7.120 28.909 1.703 1.00 51.35 C ATOM 726 CD2 TYR A 44 9.149 30.147 1.528 1.00 24.02 C ATOM 727 CE1 TYR A 44 7.567 28.030 0.735 1.00 2.41 C ATOM 728 CE2 TYR A 44 9.604 29.274 0.559 1.00 22.11 C ATOM 729 CZ TYR A 44 8.810 28.217 0.166 1.00 14.21 C ATOM 730 OH TYR A 44 9.260 27.344 -0.798 1.00 13.40 O ATOM 0 H TYR A 44 5.700 30.386 4.913 1.00 23.22 H new ATOM 0 HA TYR A 44 8.478 29.691 4.558 1.00 25.23 H new ATOM 0 HB2 TYR A 44 6.324 31.029 3.096 1.00 4.24 H new ATOM 0 HB3 TYR A 44 7.823 31.928 2.981 1.00 4.24 H new ATOM 0 HD1 TYR A 44 6.146 28.760 2.146 1.00 51.35 H new ATOM 0 HD2 TYR A 44 9.774 30.973 1.834 1.00 24.02 H new ATOM 0 HE1 TYR A 44 6.947 27.202 0.426 1.00 2.41 H new ATOM 0 HE2 TYR A 44 10.576 29.418 0.112 1.00 22.11 H new ATOM 0 HH TYR A 44 10.153 27.617 -1.096 1.00 13.40 H new ATOM 740 N VAL A 45 7.627 32.414 6.105 1.00 50.45 N ATOM 741 CA VAL A 45 8.129 33.554 6.863 1.00 63.11 C ATOM 742 C VAL A 45 9.272 33.141 7.783 1.00 25.30 C ATOM 743 O VAL A 45 10.144 33.948 8.108 1.00 34.42 O ATOM 744 CB VAL A 45 7.015 34.202 7.706 1.00 40.11 C ATOM 745 CG1 VAL A 45 5.962 34.832 6.806 1.00 24.34 C ATOM 746 CG2 VAL A 45 6.388 33.176 8.638 1.00 55.52 C ATOM 0 H VAL A 45 6.629 32.238 6.219 1.00 50.45 H new ATOM 0 HA VAL A 45 8.494 34.281 6.137 1.00 63.11 H new ATOM 0 HB VAL A 45 7.456 34.991 8.315 1.00 40.11 H new ATOM 0 HG11 VAL A 45 5.183 35.285 7.419 1.00 24.34 H new ATOM 0 HG12 VAL A 45 6.426 35.598 6.184 1.00 24.34 H new ATOM 0 HG13 VAL A 45 5.522 34.065 6.169 1.00 24.34 H new ATOM 0 HG21 VAL A 45 5.603 33.651 9.226 1.00 55.52 H new ATOM 0 HG22 VAL A 45 5.960 32.364 8.050 1.00 55.52 H new ATOM 0 HG23 VAL A 45 7.151 32.777 9.306 1.00 55.52 H new ATOM 756 N ARG A 46 9.263 31.879 8.199 1.00 23.41 N ATOM 757 CA ARG A 46 10.299 31.358 9.083 1.00 63.23 C ATOM 758 C ARG A 46 11.461 30.782 8.278 1.00 20.13 C ATOM 759 O ARG A 46 12.341 30.119 8.828 1.00 4.42 O ATOM 760 CB ARG A 46 9.721 30.283 10.004 1.00 35.42 C ATOM 761 CG ARG A 46 9.103 30.839 11.277 1.00 43.11 C ATOM 762 CD ARG A 46 8.314 29.776 12.024 1.00 32.22 C ATOM 763 NE ARG A 46 7.186 30.345 12.757 1.00 4.33 N ATOM 764 CZ ARG A 46 7.314 31.010 13.900 1.00 34.14 C ATOM 765 NH1 ARG A 46 8.512 31.188 14.438 1.00 65.11 N ATOM 766 NH2 ARG A 46 6.240 31.499 14.508 1.00 31.41 N ATOM 0 H ARG A 46 8.550 31.198 7.938 1.00 23.41 H new ATOM 0 HA ARG A 46 10.672 32.183 9.689 1.00 63.23 H new ATOM 0 HB2 ARG A 46 8.964 29.719 9.459 1.00 35.42 H new ATOM 0 HB3 ARG A 46 10.512 29.581 10.270 1.00 35.42 H new ATOM 0 HG2 ARG A 46 9.889 31.231 11.923 1.00 43.11 H new ATOM 0 HG3 ARG A 46 8.447 31.674 11.030 1.00 43.11 H new ATOM 0 HD2 ARG A 46 7.948 29.032 11.316 1.00 32.22 H new ATOM 0 HD3 ARG A 46 8.974 29.257 12.720 1.00 32.22 H new ATOM 0 HE ARG A 46 6.250 30.225 12.371 1.00 4.33 H new ATOM 0 HH11 ARG A 46 9.340 30.814 13.974 1.00 65.11 H new ATOM 0 HH12 ARG A 46 8.606 31.699 15.316 1.00 65.11 H new ATOM 0 HH21 ARG A 46 5.316 31.364 14.098 1.00 31.41 H new ATOM 0 HH22 ARG A 46 6.339 32.009 15.386 1.00 31.41 H new ATOM 780 N ILE A 47 11.456 31.039 6.975 1.00 72.44 N ATOM 781 CA ILE A 47 12.509 30.546 6.095 1.00 10.24 C ATOM 782 C ILE A 47 13.038 31.658 5.195 1.00 31.42 C ATOM 783 O ILE A 47 14.160 32.132 5.371 1.00 10.03 O ATOM 784 CB ILE A 47 12.011 29.383 5.217 1.00 23.14 C ATOM 785 CG1 ILE A 47 11.541 28.219 6.093 1.00 50.52 C ATOM 786 CG2 ILE A 47 13.110 28.928 4.268 1.00 12.21 C ATOM 787 CD1 ILE A 47 10.712 27.198 5.346 1.00 11.11 C ATOM 0 H ILE A 47 10.735 31.586 6.505 1.00 72.44 H new ATOM 0 HA ILE A 47 13.314 30.187 6.736 1.00 10.24 H new ATOM 0 HB ILE A 47 11.166 29.731 4.623 1.00 23.14 H new ATOM 0 HG12 ILE A 47 12.412 27.724 6.523 1.00 50.52 H new ATOM 0 HG13 ILE A 47 10.956 28.613 6.924 1.00 50.52 H new ATOM 0 HG21 ILE A 47 12.743 28.106 3.654 1.00 12.21 H new ATOM 0 HG22 ILE A 47 13.402 29.758 3.625 1.00 12.21 H new ATOM 0 HG23 ILE A 47 13.973 28.594 4.844 1.00 12.21 H new ATOM 0 HD11 ILE A 47 10.414 26.402 6.028 1.00 11.11 H new ATOM 0 HD12 ILE A 47 9.823 27.679 4.939 1.00 11.11 H new ATOM 0 HD13 ILE A 47 11.301 26.776 4.532 1.00 11.11 H new ATOM 799 N SER A 48 12.221 32.070 4.231 1.00 61.31 N ATOM 800 CA SER A 48 12.607 33.125 3.301 1.00 21.31 C ATOM 801 C SER A 48 11.582 34.255 3.306 1.00 5.13 C ATOM 802 O SER A 48 11.929 35.422 3.125 1.00 52.44 O ATOM 803 CB SER A 48 12.752 32.559 1.887 1.00 42.20 C ATOM 804 OG SER A 48 13.873 33.120 1.226 1.00 25.22 O ATOM 0 H SER A 48 11.288 31.689 4.074 1.00 61.31 H new ATOM 0 HA SER A 48 13.567 33.527 3.624 1.00 21.31 H new ATOM 0 HB2 SER A 48 12.859 31.475 1.935 1.00 42.20 H new ATOM 0 HB3 SER A 48 11.848 32.765 1.315 1.00 42.20 H new ATOM 0 HG SER A 48 14.040 32.631 0.393 1.00 25.22 H new ATOM 810 N ASP A 49 10.320 33.899 3.516 1.00 52.42 N ATOM 811 CA ASP A 49 9.243 34.883 3.546 1.00 24.20 C ATOM 812 C ASP A 49 9.009 35.475 2.160 1.00 61.22 C ATOM 813 O ASP A 49 9.193 36.673 1.945 1.00 12.22 O ATOM 814 CB ASP A 49 9.570 35.997 4.542 1.00 54.14 C ATOM 815 CG ASP A 49 8.324 36.637 5.123 1.00 42.34 C ATOM 816 OD1 ASP A 49 7.214 36.312 4.651 1.00 23.21 O ATOM 817 OD2 ASP A 49 8.459 37.463 6.049 1.00 3.13 O ATOM 0 H ASP A 49 10.017 32.937 3.668 1.00 52.42 H new ATOM 0 HA ASP A 49 8.331 34.378 3.864 1.00 24.20 H new ATOM 0 HB2 ASP A 49 10.177 35.591 5.351 1.00 54.14 H new ATOM 0 HB3 ASP A 49 10.169 36.760 4.046 1.00 54.14 H new ATOM 822 N LYS A 50 8.603 34.627 1.221 1.00 64.13 N ATOM 823 CA LYS A 50 8.343 35.065 -0.146 1.00 24.44 C ATOM 824 C LYS A 50 7.779 33.923 -0.985 1.00 30.33 C ATOM 825 O LYS A 50 8.112 33.780 -2.161 1.00 61.12 O ATOM 826 CB LYS A 50 9.628 35.596 -0.786 1.00 30.41 C ATOM 827 CG LYS A 50 10.667 34.519 -1.049 1.00 34.03 C ATOM 828 CD LYS A 50 11.964 34.804 -0.311 1.00 21.00 C ATOM 829 CE LYS A 50 12.578 36.124 -0.752 1.00 73.00 C ATOM 830 NZ LYS A 50 14.034 35.992 -1.034 1.00 72.25 N ATOM 0 H LYS A 50 8.447 33.632 1.381 1.00 64.13 H new ATOM 0 HA LYS A 50 7.604 35.866 -0.110 1.00 24.44 H new ATOM 0 HB2 LYS A 50 9.379 36.087 -1.727 1.00 30.41 H new ATOM 0 HB3 LYS A 50 10.061 36.356 -0.135 1.00 30.41 H new ATOM 0 HG2 LYS A 50 10.275 33.551 -0.738 1.00 34.03 H new ATOM 0 HG3 LYS A 50 10.863 34.455 -2.119 1.00 34.03 H new ATOM 0 HD2 LYS A 50 11.775 34.830 0.762 1.00 21.00 H new ATOM 0 HD3 LYS A 50 12.671 33.994 -0.491 1.00 21.00 H new ATOM 0 HE2 LYS A 50 12.066 36.482 -1.645 1.00 73.00 H new ATOM 0 HE3 LYS A 50 12.425 36.873 0.025 1.00 73.00 H new ATOM 0 HZ1 LYS A 50 14.415 36.913 -1.331 1.00 72.25 H new ATOM 0 HZ2 LYS A 50 14.527 35.675 -0.175 1.00 72.25 H new ATOM 0 HZ3 LYS A 50 14.179 35.296 -1.793 1.00 72.25 H new ATOM 844 N VAL A 51 6.921 33.112 -0.372 1.00 45.15 N ATOM 845 CA VAL A 51 6.309 31.984 -1.064 1.00 54.41 C ATOM 846 C VAL A 51 5.633 32.433 -2.355 1.00 35.22 C ATOM 847 O VAL A 51 5.789 31.804 -3.402 1.00 5.14 O ATOM 848 CB VAL A 51 5.271 31.276 -0.173 1.00 52.30 C ATOM 849 CG1 VAL A 51 4.256 32.275 0.362 1.00 50.11 C ATOM 850 CG2 VAL A 51 4.579 30.162 -0.944 1.00 23.12 C ATOM 0 H VAL A 51 6.635 33.216 0.602 1.00 45.15 H new ATOM 0 HA VAL A 51 7.111 31.285 -1.301 1.00 54.41 H new ATOM 0 HB VAL A 51 5.790 30.831 0.676 1.00 52.30 H new ATOM 0 HG11 VAL A 51 3.531 31.756 0.989 1.00 50.11 H new ATOM 0 HG12 VAL A 51 4.769 33.034 0.952 1.00 50.11 H new ATOM 0 HG13 VAL A 51 3.740 32.751 -0.472 1.00 50.11 H new ATOM 0 HG21 VAL A 51 3.849 29.672 -0.299 1.00 23.12 H new ATOM 0 HG22 VAL A 51 4.072 30.581 -1.813 1.00 23.12 H new ATOM 0 HG23 VAL A 51 5.319 29.433 -1.273 1.00 23.12 H new ATOM 860 N VAL A 52 4.879 33.525 -2.273 1.00 44.23 N ATOM 861 CA VAL A 52 4.180 34.060 -3.435 1.00 72.24 C ATOM 862 C VAL A 52 5.146 34.326 -4.584 1.00 61.12 C ATOM 863 O VAL A 52 4.804 34.145 -5.752 1.00 32.11 O ATOM 864 CB VAL A 52 3.436 35.364 -3.092 1.00 4.31 C ATOM 865 CG1 VAL A 52 2.899 36.021 -4.354 1.00 44.42 C ATOM 866 CG2 VAL A 52 2.313 35.092 -2.103 1.00 53.12 C ATOM 0 H VAL A 52 4.737 34.056 -1.414 1.00 44.23 H new ATOM 0 HA VAL A 52 3.454 33.307 -3.742 1.00 72.24 H new ATOM 0 HB VAL A 52 4.141 36.052 -2.626 1.00 4.31 H new ATOM 0 HG11 VAL A 52 2.377 36.941 -4.091 1.00 44.42 H new ATOM 0 HG12 VAL A 52 3.727 36.253 -5.024 1.00 44.42 H new ATOM 0 HG13 VAL A 52 2.208 35.341 -4.852 1.00 44.42 H new ATOM 0 HG21 VAL A 52 1.798 36.024 -1.872 1.00 53.12 H new ATOM 0 HG22 VAL A 52 1.607 34.386 -2.540 1.00 53.12 H new ATOM 0 HG23 VAL A 52 2.728 34.670 -1.188 1.00 53.12 H new ATOM 876 N GLY A 53 6.357 34.757 -4.244 1.00 62.00 N ATOM 877 CA GLY A 53 7.355 35.041 -5.258 1.00 65.13 C ATOM 878 C GLY A 53 7.884 33.784 -5.919 1.00 64.53 C ATOM 879 O GLY A 53 8.250 33.799 -7.095 1.00 5.51 O ATOM 0 H GLY A 53 6.664 34.914 -3.284 1.00 62.00 H new ATOM 0 HA2 GLY A 53 6.922 35.692 -6.017 1.00 65.13 H new ATOM 0 HA3 GLY A 53 8.183 35.586 -4.805 1.00 65.13 H new ATOM 883 N ILE A 54 7.926 32.692 -5.163 1.00 3.13 N ATOM 884 CA ILE A 54 8.415 31.421 -5.683 1.00 0.15 C ATOM 885 C ILE A 54 7.372 30.753 -6.571 1.00 75.14 C ATOM 886 O ILE A 54 7.707 30.113 -7.569 1.00 5.21 O ATOM 887 CB ILE A 54 8.797 30.457 -4.544 1.00 73.41 C ATOM 888 CG1 ILE A 54 9.869 31.085 -3.652 1.00 64.11 C ATOM 889 CG2 ILE A 54 9.282 29.132 -5.113 1.00 23.32 C ATOM 890 CD1 ILE A 54 9.616 30.890 -2.174 1.00 21.24 C ATOM 0 H ILE A 54 7.627 32.662 -4.188 1.00 3.13 H new ATOM 0 HA ILE A 54 9.304 31.642 -6.274 1.00 0.15 H new ATOM 0 HB ILE A 54 7.912 30.267 -3.936 1.00 73.41 H new ATOM 0 HG12 ILE A 54 10.838 30.656 -3.906 1.00 64.11 H new ATOM 0 HG13 ILE A 54 9.927 32.152 -3.865 1.00 64.11 H new ATOM 0 HG21 ILE A 54 9.548 28.461 -4.296 1.00 23.32 H new ATOM 0 HG22 ILE A 54 8.490 28.680 -5.710 1.00 23.32 H new ATOM 0 HG23 ILE A 54 10.156 29.304 -5.741 1.00 23.32 H new ATOM 0 HD11 ILE A 54 10.416 31.361 -1.603 1.00 21.24 H new ATOM 0 HD12 ILE A 54 8.662 31.344 -1.905 1.00 21.24 H new ATOM 0 HD13 ILE A 54 9.587 29.824 -1.947 1.00 21.24 H new ATOM 902 N LEU A 55 6.104 30.907 -6.204 1.00 61.24 N ATOM 903 CA LEU A 55 5.009 30.320 -6.970 1.00 24.04 C ATOM 904 C LEU A 55 5.115 30.693 -8.445 1.00 13.33 C ATOM 905 O LEU A 55 4.755 29.908 -9.321 1.00 32.20 O ATOM 906 CB LEU A 55 3.664 30.783 -6.409 1.00 54.32 C ATOM 907 CG LEU A 55 3.322 30.301 -4.999 1.00 11.11 C ATOM 908 CD1 LEU A 55 1.905 30.707 -4.625 1.00 10.24 C ATOM 909 CD2 LEU A 55 3.491 28.792 -4.896 1.00 2.35 C ATOM 0 H LEU A 55 5.809 31.433 -5.381 1.00 61.24 H new ATOM 0 HA LEU A 55 5.077 29.236 -6.884 1.00 24.04 H new ATOM 0 HB2 LEU A 55 3.648 31.873 -6.412 1.00 54.32 H new ATOM 0 HB3 LEU A 55 2.877 30.450 -7.086 1.00 54.32 H new ATOM 0 HG LEU A 55 4.010 30.773 -4.298 1.00 11.11 H new ATOM 0 HD11 LEU A 55 1.679 30.355 -3.618 1.00 10.24 H new ATOM 0 HD12 LEU A 55 1.817 31.793 -4.658 1.00 10.24 H new ATOM 0 HD13 LEU A 55 1.202 30.264 -5.330 1.00 10.24 H new ATOM 0 HD21 LEU A 55 3.243 28.466 -3.886 1.00 2.35 H new ATOM 0 HD22 LEU A 55 2.827 28.302 -5.608 1.00 2.35 H new ATOM 0 HD23 LEU A 55 4.524 28.525 -5.120 1.00 2.35 H new ATOM 921 N MET A 56 5.612 31.897 -8.711 1.00 62.52 N ATOM 922 CA MET A 56 5.768 32.372 -10.081 1.00 2.42 C ATOM 923 C MET A 56 6.599 31.394 -10.905 1.00 72.21 C ATOM 924 O MET A 56 6.414 31.275 -12.116 1.00 51.34 O ATOM 925 CB MET A 56 6.426 33.753 -10.092 1.00 3.42 C ATOM 926 CG MET A 56 5.534 34.856 -9.545 1.00 42.11 C ATOM 927 SD MET A 56 6.027 36.495 -10.114 1.00 23.51 S ATOM 928 CE MET A 56 5.423 36.464 -11.800 1.00 21.43 C ATOM 0 H MET A 56 5.913 32.560 -7.997 1.00 62.52 H new ATOM 0 HA MET A 56 4.777 32.445 -10.529 1.00 2.42 H new ATOM 0 HB2 MET A 56 7.343 33.714 -9.504 1.00 3.42 H new ATOM 0 HB3 MET A 56 6.712 34.002 -11.114 1.00 3.42 H new ATOM 0 HG2 MET A 56 4.503 34.666 -9.845 1.00 42.11 H new ATOM 0 HG3 MET A 56 5.559 34.831 -8.456 1.00 42.11 H new ATOM 0 HE1 MET A 56 5.408 37.478 -12.200 1.00 21.43 H new ATOM 0 HE2 MET A 56 6.079 35.843 -12.410 1.00 21.43 H new ATOM 0 HE3 MET A 56 4.414 36.052 -11.818 1.00 21.43 H new ATOM 938 N ARG A 57 7.514 30.696 -10.241 1.00 31.52 N ATOM 939 CA ARG A 57 8.374 29.729 -10.913 1.00 35.31 C ATOM 940 C ARG A 57 7.629 28.420 -11.162 1.00 1.20 C ATOM 941 O ARG A 57 7.769 27.806 -12.219 1.00 43.54 O ATOM 942 CB ARG A 57 9.628 29.463 -10.079 1.00 1.33 C ATOM 943 CG ARG A 57 10.545 28.409 -10.676 1.00 70.43 C ATOM 944 CD ARG A 57 10.883 27.326 -9.664 1.00 32.34 C ATOM 945 NE ARG A 57 12.131 26.641 -9.990 1.00 74.34 N ATOM 946 CZ ARG A 57 12.270 25.824 -11.029 1.00 24.14 C ATOM 947 NH1 ARG A 57 11.245 25.592 -11.837 1.00 22.14 N ATOM 948 NH2 ARG A 57 13.438 25.238 -11.260 1.00 70.45 N ATOM 0 H ARG A 57 7.679 30.782 -9.238 1.00 31.52 H new ATOM 0 HA ARG A 57 8.668 30.149 -11.875 1.00 35.31 H new ATOM 0 HB2 ARG A 57 10.184 30.394 -9.967 1.00 1.33 H new ATOM 0 HB3 ARG A 57 9.329 29.148 -9.079 1.00 1.33 H new ATOM 0 HG2 ARG A 57 10.066 27.959 -11.546 1.00 70.43 H new ATOM 0 HG3 ARG A 57 11.463 28.880 -11.026 1.00 70.43 H new ATOM 0 HD2 ARG A 57 10.962 27.770 -8.671 1.00 32.34 H new ATOM 0 HD3 ARG A 57 10.071 26.600 -9.625 1.00 32.34 H new ATOM 0 HE ARG A 57 12.939 26.798 -9.388 1.00 74.34 H new ATOM 0 HH11 ARG A 57 10.346 26.041 -11.662 1.00 22.14 H new ATOM 0 HH12 ARG A 57 11.355 24.964 -12.633 1.00 22.14 H new ATOM 0 HH21 ARG A 57 14.229 25.415 -10.640 1.00 70.45 H new ATOM 0 HH22 ARG A 57 13.545 24.611 -12.057 1.00 70.45 H new ATOM 962 N ALA A 58 6.838 27.999 -10.180 1.00 41.35 N ATOM 963 CA ALA A 58 6.071 26.765 -10.294 1.00 12.23 C ATOM 964 C ALA A 58 4.926 26.920 -11.289 1.00 62.23 C ATOM 965 O ALA A 58 4.529 25.958 -11.948 1.00 4.14 O ATOM 966 CB ALA A 58 5.536 26.350 -8.931 1.00 75.34 C ATOM 0 H ALA A 58 6.712 28.494 -9.297 1.00 41.35 H new ATOM 0 HA ALA A 58 6.736 25.985 -10.665 1.00 12.23 H new ATOM 0 HB1 ALA A 58 4.965 25.427 -9.030 1.00 75.34 H new ATOM 0 HB2 ALA A 58 6.369 26.190 -8.247 1.00 75.34 H new ATOM 0 HB3 ALA A 58 4.890 27.136 -8.539 1.00 75.34 H new ATOM 972 N ARG A 59 4.399 28.135 -11.394 1.00 1.33 N ATOM 973 CA ARG A 59 3.298 28.415 -12.308 1.00 23.21 C ATOM 974 C ARG A 59 3.737 28.235 -13.758 1.00 42.23 C ATOM 975 O ARG A 59 2.925 27.926 -14.630 1.00 61.25 O ATOM 976 CB ARG A 59 2.778 29.837 -12.094 1.00 0.32 C ATOM 977 CG ARG A 59 1.382 30.066 -12.650 1.00 61.52 C ATOM 978 CD ARG A 59 1.331 31.298 -13.539 1.00 44.23 C ATOM 979 NE ARG A 59 1.424 30.955 -14.956 1.00 13.41 N ATOM 980 CZ ARG A 59 1.465 31.858 -15.929 1.00 42.43 C ATOM 981 NH1 ARG A 59 1.423 33.152 -15.640 1.00 63.35 N ATOM 982 NH2 ARG A 59 1.549 31.468 -17.195 1.00 3.23 N ATOM 0 H ARG A 59 4.717 28.942 -10.857 1.00 1.33 H new ATOM 0 HA ARG A 59 2.496 27.707 -12.098 1.00 23.21 H new ATOM 0 HB2 ARG A 59 2.775 30.057 -11.026 1.00 0.32 H new ATOM 0 HB3 ARG A 59 3.466 30.541 -12.562 1.00 0.32 H new ATOM 0 HG2 ARG A 59 1.068 29.192 -13.220 1.00 61.52 H new ATOM 0 HG3 ARG A 59 0.676 30.180 -11.827 1.00 61.52 H new ATOM 0 HD2 ARG A 59 0.402 31.838 -13.357 1.00 44.23 H new ATOM 0 HD3 ARG A 59 2.147 31.970 -13.274 1.00 44.23 H new ATOM 0 HE ARG A 59 1.459 29.968 -15.212 1.00 13.41 H new ATOM 0 HH11 ARG A 59 1.359 33.456 -14.668 1.00 63.35 H new ATOM 0 HH12 ARG A 59 1.455 33.843 -16.389 1.00 63.35 H new ATOM 0 HH21 ARG A 59 1.582 30.474 -17.421 1.00 3.23 H new ATOM 0 HH22 ARG A 59 1.580 32.162 -17.942 1.00 3.23 H new ATOM 996 N LYS A 60 5.027 28.432 -14.009 1.00 60.23 N ATOM 997 CA LYS A 60 5.576 28.291 -15.353 1.00 14.31 C ATOM 998 C LYS A 60 5.179 26.952 -15.965 1.00 62.41 C ATOM 999 O LYS A 60 4.973 26.847 -17.175 1.00 0.14 O ATOM 1000 CB LYS A 60 7.100 28.418 -15.319 1.00 64.53 C ATOM 1001 CG LYS A 60 7.590 29.712 -14.693 1.00 31.32 C ATOM 1002 CD LYS A 60 7.921 30.752 -15.749 1.00 54.54 C ATOM 1003 CE LYS A 60 7.283 32.095 -15.428 1.00 11.43 C ATOM 1004 NZ LYS A 60 8.100 33.233 -15.934 1.00 31.20 N ATOM 0 H LYS A 60 5.712 28.690 -13.299 1.00 60.23 H new ATOM 0 HA LYS A 60 5.165 29.089 -15.972 1.00 14.31 H new ATOM 0 HB2 LYS A 60 7.514 27.576 -14.764 1.00 64.53 H new ATOM 0 HB3 LYS A 60 7.485 28.348 -16.337 1.00 64.53 H new ATOM 0 HG2 LYS A 60 6.826 30.104 -14.022 1.00 31.32 H new ATOM 0 HG3 LYS A 60 8.474 29.512 -14.088 1.00 31.32 H new ATOM 0 HD2 LYS A 60 9.002 30.869 -15.819 1.00 54.54 H new ATOM 0 HD3 LYS A 60 7.574 30.407 -16.723 1.00 54.54 H new ATOM 0 HE2 LYS A 60 6.287 32.139 -15.869 1.00 11.43 H new ATOM 0 HE3 LYS A 60 7.158 32.189 -14.349 1.00 11.43 H new ATOM 0 HZ1 LYS A 60 7.631 34.130 -15.695 1.00 31.20 H new ATOM 0 HZ2 LYS A 60 9.042 33.207 -15.494 1.00 31.20 H new ATOM 0 HZ3 LYS A 60 8.198 33.158 -16.967 1.00 31.20 H new ATOM 1018 N HIS A 61 5.073 25.929 -15.122 1.00 50.22 N ATOM 1019 CA HIS A 61 4.699 24.596 -15.581 1.00 12.02 C ATOM 1020 C HIS A 61 3.341 24.188 -15.016 1.00 43.42 C ATOM 1021 O HIS A 61 3.094 23.012 -14.757 1.00 73.50 O ATOM 1022 CB HIS A 61 5.762 23.576 -15.171 1.00 74.04 C ATOM 1023 CG HIS A 61 7.030 23.683 -15.961 1.00 20.04 C ATOM 1024 ND1 HIS A 61 7.070 23.597 -17.336 1.00 40.32 N ATOM 1025 CD2 HIS A 61 8.309 23.872 -15.560 1.00 20.45 C ATOM 1026 CE1 HIS A 61 8.319 23.727 -17.747 1.00 72.21 C ATOM 1027 NE2 HIS A 61 9.091 23.895 -16.688 1.00 75.14 N ATOM 0 H HIS A 61 5.241 25.998 -14.118 1.00 50.22 H new ATOM 0 HA HIS A 61 4.628 24.619 -16.668 1.00 12.02 H new ATOM 0 HB2 HIS A 61 5.990 23.707 -14.113 1.00 74.04 H new ATOM 0 HB3 HIS A 61 5.354 22.572 -15.288 1.00 74.04 H new ATOM 0 HD2 HIS A 61 8.651 23.984 -14.542 1.00 20.45 H new ATOM 0 HE1 HIS A 61 8.652 23.700 -18.774 1.00 72.21 H new ATOM 0 HE2 HIS A 61 10.103 24.021 -16.706 1.00 75.14 H new ATOM 1035 N GLY A 62 2.465 25.170 -14.827 1.00 51.54 N ATOM 1036 CA GLY A 62 1.144 24.894 -14.294 1.00 21.41 C ATOM 1037 C GLY A 62 1.194 24.083 -13.014 1.00 71.32 C ATOM 1038 O GLY A 62 0.761 22.930 -12.983 1.00 72.15 O ATOM 0 H GLY A 62 2.647 26.152 -15.034 1.00 51.54 H new ATOM 0 HA2 GLY A 62 0.628 25.835 -14.104 1.00 21.41 H new ATOM 0 HA3 GLY A 62 0.560 24.355 -15.040 1.00 21.41 H new ATOM 1042 N LEU A 63 1.725 24.684 -11.955 1.00 74.22 N ATOM 1043 CA LEU A 63 1.831 24.009 -10.666 1.00 44.31 C ATOM 1044 C LEU A 63 0.913 24.657 -9.635 1.00 33.11 C ATOM 1045 O LEU A 63 0.463 24.005 -8.692 1.00 43.11 O ATOM 1046 CB LEU A 63 3.278 24.042 -10.169 1.00 52.24 C ATOM 1047 CG LEU A 63 3.558 23.289 -8.869 1.00 21.43 C ATOM 1048 CD1 LEU A 63 3.158 24.131 -7.667 1.00 61.41 C ATOM 1049 CD2 LEU A 63 2.824 21.955 -8.856 1.00 45.40 C ATOM 0 H LEU A 63 2.089 25.637 -11.963 1.00 74.22 H new ATOM 0 HA LEU A 63 1.522 22.972 -10.800 1.00 44.31 H new ATOM 0 HB2 LEU A 63 3.918 23.630 -10.949 1.00 52.24 H new ATOM 0 HB3 LEU A 63 3.571 25.083 -10.033 1.00 52.24 H new ATOM 0 HG LEU A 63 4.629 23.093 -8.809 1.00 21.43 H new ATOM 0 HD11 LEU A 63 3.365 23.578 -6.751 1.00 61.41 H new ATOM 0 HD12 LEU A 63 3.729 25.060 -7.667 1.00 61.41 H new ATOM 0 HD13 LEU A 63 2.094 24.359 -7.721 1.00 61.41 H new ATOM 0 HD21 LEU A 63 3.035 21.433 -7.923 1.00 45.40 H new ATOM 0 HD22 LEU A 63 1.751 22.129 -8.940 1.00 45.40 H new ATOM 0 HD23 LEU A 63 3.160 21.347 -9.696 1.00 45.40 H new ATOM 1061 N VAL A 64 0.636 25.943 -9.822 1.00 12.52 N ATOM 1062 CA VAL A 64 -0.232 26.679 -8.910 1.00 33.11 C ATOM 1063 C VAL A 64 -1.546 27.055 -9.585 1.00 73.14 C ATOM 1064 O VAL A 64 -1.558 27.758 -10.596 1.00 53.13 O ATOM 1065 CB VAL A 64 0.452 27.959 -8.394 1.00 34.12 C ATOM 1066 CG1 VAL A 64 1.507 27.618 -7.353 1.00 63.11 C ATOM 1067 CG2 VAL A 64 1.062 28.739 -9.548 1.00 52.14 C ATOM 0 H VAL A 64 1.000 26.497 -10.597 1.00 12.52 H new ATOM 0 HA VAL A 64 -0.436 26.020 -8.066 1.00 33.11 H new ATOM 0 HB VAL A 64 -0.302 28.587 -7.920 1.00 34.12 H new ATOM 0 HG11 VAL A 64 1.979 28.535 -7.000 1.00 63.11 H new ATOM 0 HG12 VAL A 64 1.037 27.105 -6.514 1.00 63.11 H new ATOM 0 HG13 VAL A 64 2.261 26.969 -7.798 1.00 63.11 H new ATOM 0 HG21 VAL A 64 1.541 29.640 -9.165 1.00 52.14 H new ATOM 0 HG22 VAL A 64 1.804 28.121 -10.053 1.00 52.14 H new ATOM 0 HG23 VAL A 64 0.279 29.016 -10.254 1.00 52.14 H new ATOM 1077 N HIS A 65 -2.653 26.582 -9.020 1.00 5.31 N ATOM 1078 CA HIS A 65 -3.974 26.870 -9.567 1.00 23.11 C ATOM 1079 C HIS A 65 -4.503 28.200 -9.039 1.00 24.02 C ATOM 1080 O HIS A 65 -5.567 28.663 -9.449 1.00 13.14 O ATOM 1081 CB HIS A 65 -4.949 25.745 -9.218 1.00 51.34 C ATOM 1082 CG HIS A 65 -5.934 25.448 -10.307 1.00 15.35 C ATOM 1083 ND1 HIS A 65 -7.219 25.011 -10.060 1.00 41.41 N ATOM 1084 CD2 HIS A 65 -5.818 25.530 -11.653 1.00 31.54 C ATOM 1085 CE1 HIS A 65 -7.849 24.835 -11.208 1.00 33.15 C ATOM 1086 NE2 HIS A 65 -7.021 25.143 -12.190 1.00 34.15 N ATOM 0 H HIS A 65 -2.661 25.998 -8.184 1.00 5.31 H new ATOM 0 HA HIS A 65 -3.884 26.940 -10.651 1.00 23.11 H new ATOM 0 HB2 HIS A 65 -4.383 24.841 -8.995 1.00 51.34 H new ATOM 0 HB3 HIS A 65 -5.492 26.013 -8.312 1.00 51.34 H new ATOM 0 HD2 HIS A 65 -4.942 25.842 -12.202 1.00 31.54 H new ATOM 0 HE1 HIS A 65 -8.868 24.497 -11.324 1.00 33.15 H new ATOM 0 HE2 HIS A 65 -7.240 25.100 -13.185 1.00 34.15 H new ATOM 1094 N PHE A 66 -3.753 28.809 -8.127 1.00 5.34 N ATOM 1095 CA PHE A 66 -4.147 30.085 -7.541 1.00 3.30 C ATOM 1096 C PHE A 66 -4.473 31.105 -8.628 1.00 41.02 C ATOM 1097 O PHE A 66 -4.074 30.947 -9.781 1.00 62.33 O ATOM 1098 CB PHE A 66 -3.033 30.623 -6.640 1.00 33.55 C ATOM 1099 CG PHE A 66 -1.976 31.387 -7.384 1.00 22.43 C ATOM 1100 CD1 PHE A 66 -1.388 30.854 -8.520 1.00 12.30 C ATOM 1101 CD2 PHE A 66 -1.570 32.637 -6.947 1.00 43.43 C ATOM 1102 CE1 PHE A 66 -0.414 31.555 -9.206 1.00 53.10 C ATOM 1103 CE2 PHE A 66 -0.596 33.343 -7.630 1.00 15.15 C ATOM 1104 CZ PHE A 66 -0.019 32.801 -8.761 1.00 42.40 C ATOM 0 H PHE A 66 -2.869 28.440 -7.778 1.00 5.34 H new ATOM 0 HA PHE A 66 -5.042 29.919 -6.941 1.00 3.30 H new ATOM 0 HB2 PHE A 66 -3.472 31.271 -5.881 1.00 33.55 H new ATOM 0 HB3 PHE A 66 -2.566 29.789 -6.116 1.00 33.55 H new ATOM 0 HD1 PHE A 66 -1.694 29.880 -8.873 1.00 12.30 H new ATOM 0 HD2 PHE A 66 -2.019 33.065 -6.063 1.00 43.43 H new ATOM 0 HE1 PHE A 66 0.038 31.128 -10.089 1.00 53.10 H new ATOM 0 HE2 PHE A 66 -0.287 34.317 -7.279 1.00 15.15 H new ATOM 0 HZ PHE A 66 0.740 33.351 -9.297 1.00 42.40 H new ATOM 1114 N GLU A 67 -5.202 32.151 -8.251 1.00 25.02 N ATOM 1115 CA GLU A 67 -5.583 33.196 -9.194 1.00 24.21 C ATOM 1116 C GLU A 67 -4.601 34.363 -9.139 1.00 63.42 C ATOM 1117 O GLU A 67 -3.698 34.390 -8.303 1.00 54.14 O ATOM 1118 CB GLU A 67 -6.999 33.692 -8.895 1.00 3.24 C ATOM 1119 CG GLU A 67 -7.188 34.165 -7.463 1.00 31.41 C ATOM 1120 CD GLU A 67 -7.963 35.465 -7.375 1.00 74.14 C ATOM 1121 OE1 GLU A 67 -9.055 35.546 -7.977 1.00 61.40 O ATOM 1122 OE2 GLU A 67 -7.479 36.401 -6.706 1.00 51.11 O ATOM 0 H GLU A 67 -5.540 32.297 -7.300 1.00 25.02 H new ATOM 0 HA GLU A 67 -5.559 32.771 -10.197 1.00 24.21 H new ATOM 0 HB2 GLU A 67 -7.239 34.510 -9.574 1.00 3.24 H new ATOM 0 HB3 GLU A 67 -7.707 32.889 -9.100 1.00 3.24 H new ATOM 0 HG2 GLU A 67 -7.712 33.395 -6.896 1.00 31.41 H new ATOM 0 HG3 GLU A 67 -6.212 34.296 -6.996 1.00 31.41 H new ATOM 1129 N GLY A 68 -4.784 35.325 -10.038 1.00 2.41 N ATOM 1130 CA GLY A 68 -3.907 36.481 -10.076 1.00 1.11 C ATOM 1131 C GLY A 68 -2.442 36.096 -10.133 1.00 70.11 C ATOM 1132 O GLY A 68 -2.109 34.930 -10.340 1.00 64.31 O ATOM 0 H GLY A 68 -5.524 35.325 -10.740 1.00 2.41 H new ATOM 0 HA2 GLY A 68 -4.153 37.091 -10.945 1.00 1.11 H new ATOM 0 HA3 GLY A 68 -4.084 37.096 -9.194 1.00 1.11 H new ATOM 1136 N GLU A 69 -1.566 37.079 -9.951 1.00 24.32 N ATOM 1137 CA GLU A 69 -0.128 36.836 -9.985 1.00 72.45 C ATOM 1138 C GLU A 69 0.521 37.220 -8.659 1.00 52.51 C ATOM 1139 O GLU A 69 1.720 37.491 -8.598 1.00 71.42 O ATOM 1140 CB GLU A 69 0.517 37.622 -11.129 1.00 20.14 C ATOM 1141 CG GLU A 69 -0.052 37.285 -12.496 1.00 71.35 C ATOM 1142 CD GLU A 69 0.745 37.903 -13.629 1.00 13.34 C ATOM 1143 OE1 GLU A 69 1.554 38.815 -13.355 1.00 32.41 O ATOM 1144 OE2 GLU A 69 0.559 37.477 -14.787 1.00 65.05 O ATOM 0 H GLU A 69 -1.826 38.050 -9.779 1.00 24.32 H new ATOM 0 HA GLU A 69 0.031 35.770 -10.151 1.00 72.45 H new ATOM 0 HB2 GLU A 69 0.388 38.688 -10.944 1.00 20.14 H new ATOM 0 HB3 GLU A 69 1.589 37.427 -11.133 1.00 20.14 H new ATOM 0 HG2 GLU A 69 -0.073 36.202 -12.620 1.00 71.35 H new ATOM 0 HG3 GLU A 69 -1.084 37.632 -12.551 1.00 71.35 H new ATOM 1151 N MET A 70 -0.281 37.243 -7.599 1.00 50.55 N ATOM 1152 CA MET A 70 0.215 37.595 -6.274 1.00 30.42 C ATOM 1153 C MET A 70 -0.889 37.467 -5.229 1.00 20.11 C ATOM 1154 O MET A 70 -2.073 37.421 -5.565 1.00 13.54 O ATOM 1155 CB MET A 70 0.770 39.020 -6.275 1.00 1.24 C ATOM 1156 CG MET A 70 -0.181 40.042 -6.875 1.00 13.51 C ATOM 1157 SD MET A 70 0.593 41.652 -7.120 1.00 2.23 S ATOM 1158 CE MET A 70 1.043 41.552 -8.850 1.00 63.45 C ATOM 0 H MET A 70 -1.276 37.022 -7.632 1.00 50.55 H new ATOM 0 HA MET A 70 1.016 36.902 -6.017 1.00 30.42 H new ATOM 0 HB2 MET A 70 1.004 39.311 -5.251 1.00 1.24 H new ATOM 0 HB3 MET A 70 1.706 39.036 -6.833 1.00 1.24 H new ATOM 0 HG2 MET A 70 -0.550 39.671 -7.831 1.00 13.51 H new ATOM 0 HG3 MET A 70 -1.046 40.155 -6.222 1.00 13.51 H new ATOM 0 HE1 MET A 70 1.534 42.477 -9.152 1.00 63.45 H new ATOM 0 HE2 MET A 70 1.723 40.714 -9.001 1.00 63.45 H new ATOM 0 HE3 MET A 70 0.146 41.404 -9.451 1.00 63.45 H new ATOM 1168 N LEU A 71 -0.494 37.409 -3.962 1.00 12.12 N ATOM 1169 CA LEU A 71 -1.451 37.286 -2.867 1.00 43.33 C ATOM 1170 C LEU A 71 -1.100 38.238 -1.728 1.00 41.11 C ATOM 1171 O LEU A 71 -0.005 38.176 -1.169 1.00 63.15 O ATOM 1172 CB LEU A 71 -1.484 35.846 -2.352 1.00 51.40 C ATOM 1173 CG LEU A 71 -1.637 34.757 -3.414 1.00 22.10 C ATOM 1174 CD1 LEU A 71 -0.659 33.620 -3.157 1.00 54.52 C ATOM 1175 CD2 LEU A 71 -3.067 34.237 -3.443 1.00 24.12 C ATOM 0 H LEU A 71 0.482 37.445 -3.667 1.00 12.12 H new ATOM 0 HA LEU A 71 -2.437 37.552 -3.247 1.00 43.33 H new ATOM 0 HB2 LEU A 71 -0.564 35.658 -1.798 1.00 51.40 H new ATOM 0 HB3 LEU A 71 -2.307 35.753 -1.644 1.00 51.40 H new ATOM 0 HG LEU A 71 -1.410 35.191 -4.388 1.00 22.10 H new ATOM 0 HD11 LEU A 71 -0.782 32.854 -3.923 1.00 54.52 H new ATOM 0 HD12 LEU A 71 0.361 34.003 -3.188 1.00 54.52 H new ATOM 0 HD13 LEU A 71 -0.854 33.187 -2.176 1.00 54.52 H new ATOM 0 HD21 LEU A 71 -3.157 33.463 -4.205 1.00 24.12 H new ATOM 0 HD22 LEU A 71 -3.322 33.819 -2.469 1.00 24.12 H new ATOM 0 HD23 LEU A 71 -3.747 35.056 -3.676 1.00 24.12 H new ATOM 1187 N TRP A 72 -2.037 39.116 -1.388 1.00 64.21 N ATOM 1188 CA TRP A 72 -1.827 40.079 -0.313 1.00 41.44 C ATOM 1189 C TRP A 72 -2.150 39.462 1.042 1.00 33.34 C ATOM 1190 O TRP A 72 -3.300 39.122 1.320 1.00 10.14 O ATOM 1191 CB TRP A 72 -2.689 41.323 -0.540 1.00 23.40 C ATOM 1192 CG TRP A 72 -2.428 41.994 -1.854 1.00 55.33 C ATOM 1193 CD1 TRP A 72 -3.356 42.343 -2.794 1.00 62.24 C ATOM 1194 CD2 TRP A 72 -1.157 42.396 -2.374 1.00 45.42 C ATOM 1195 NE1 TRP A 72 -2.737 42.937 -3.868 1.00 2.35 N ATOM 1196 CE2 TRP A 72 -1.388 42.983 -3.634 1.00 21.11 C ATOM 1197 CE3 TRP A 72 0.155 42.320 -1.898 1.00 11.15 C ATOM 1198 CZ2 TRP A 72 -0.356 43.488 -4.420 1.00 61.34 C ATOM 1199 CZ3 TRP A 72 1.178 42.821 -2.680 1.00 0.25 C ATOM 1200 CH2 TRP A 72 0.918 43.400 -3.929 1.00 63.41 C ATOM 0 H TRP A 72 -2.949 39.181 -1.841 1.00 64.21 H new ATOM 0 HA TRP A 72 -0.776 40.368 -0.318 1.00 41.44 H new ATOM 0 HB2 TRP A 72 -3.741 41.042 -0.486 1.00 23.40 H new ATOM 0 HB3 TRP A 72 -2.507 42.034 0.266 1.00 23.40 H new ATOM 0 HD1 TRP A 72 -4.419 42.177 -2.706 1.00 62.24 H new ATOM 0 HE1 TRP A 72 -3.206 43.287 -4.704 1.00 2.35 H new ATOM 0 HE3 TRP A 72 0.365 41.877 -0.936 1.00 11.15 H new ATOM 0 HZ2 TRP A 72 -0.554 43.934 -5.384 1.00 61.34 H new ATOM 0 HZ3 TRP A 72 2.196 42.765 -2.322 1.00 0.25 H new ATOM 0 HH2 TRP A 72 1.739 43.784 -4.516 1.00 63.41 H new ATOM 1211 N GLN A 73 -1.130 39.319 1.882 1.00 43.42 N ATOM 1212 CA GLN A 73 -1.307 38.742 3.209 1.00 73.43 C ATOM 1213 C GLN A 73 -2.429 39.447 3.964 1.00 74.44 C ATOM 1214 O GLN A 73 -2.344 40.640 4.250 1.00 30.15 O ATOM 1215 CB GLN A 73 -0.005 38.832 4.006 1.00 60.01 C ATOM 1216 CG GLN A 73 0.186 37.690 4.990 1.00 22.54 C ATOM 1217 CD GLN A 73 -0.108 38.096 6.421 1.00 53.22 C ATOM 1218 OE1 GLN A 73 -1.189 38.602 6.725 1.00 72.14 O ATOM 1219 NE2 GLN A 73 0.854 37.877 7.309 1.00 42.10 N ATOM 0 H GLN A 73 -0.172 39.595 1.667 1.00 43.42 H new ATOM 0 HA GLN A 73 -1.578 37.693 3.088 1.00 73.43 H new ATOM 0 HB2 GLN A 73 0.836 38.847 3.312 1.00 60.01 H new ATOM 0 HB3 GLN A 73 0.014 39.776 4.550 1.00 60.01 H new ATOM 0 HG2 GLN A 73 -0.465 36.862 4.710 1.00 22.54 H new ATOM 0 HG3 GLN A 73 1.211 37.326 4.923 1.00 22.54 H new ATOM 0 HE21 GLN A 73 1.734 37.455 7.013 1.00 42.10 H new ATOM 0 HE22 GLN A 73 0.713 38.130 8.287 1.00 42.10 H new ATOM 1228 N GLY A 74 -3.482 38.700 4.283 1.00 72.44 N ATOM 1229 CA GLY A 74 -4.607 39.270 5.001 1.00 44.41 C ATOM 1230 C GLY A 74 -5.819 39.474 4.113 1.00 25.25 C ATOM 1231 O GLY A 74 -6.922 39.718 4.602 1.00 3.44 O ATOM 0 H GLY A 74 -3.576 37.710 4.057 1.00 72.44 H new ATOM 0 HA2 GLY A 74 -4.874 38.615 5.830 1.00 44.41 H new ATOM 0 HA3 GLY A 74 -4.312 40.226 5.433 1.00 44.41 H new ATOM 1235 N LYS A 75 -5.615 39.374 2.804 1.00 4.43 N ATOM 1236 CA LYS A 75 -6.699 39.549 1.845 1.00 3.41 C ATOM 1237 C LYS A 75 -6.857 38.310 0.971 1.00 73.50 C ATOM 1238 O LYS A 75 -7.947 37.747 0.868 1.00 72.53 O ATOM 1239 CB LYS A 75 -6.438 40.775 0.967 1.00 5.42 C ATOM 1240 CG LYS A 75 -5.979 41.995 1.747 1.00 44.40 C ATOM 1241 CD LYS A 75 -7.071 42.512 2.668 1.00 53.13 C ATOM 1242 CE LYS A 75 -6.838 43.966 3.049 1.00 42.04 C ATOM 1243 NZ LYS A 75 -7.211 44.895 1.946 1.00 13.03 N ATOM 0 H LYS A 75 -4.708 39.173 2.383 1.00 4.43 H new ATOM 0 HA LYS A 75 -7.623 39.699 2.403 1.00 3.41 H new ATOM 0 HB2 LYS A 75 -5.682 40.524 0.223 1.00 5.42 H new ATOM 0 HB3 LYS A 75 -7.350 41.023 0.424 1.00 5.42 H new ATOM 0 HG2 LYS A 75 -5.096 41.741 2.334 1.00 44.40 H new ATOM 0 HG3 LYS A 75 -5.685 42.782 1.053 1.00 44.40 H new ATOM 0 HD2 LYS A 75 -8.039 42.414 2.177 1.00 53.13 H new ATOM 0 HD3 LYS A 75 -7.108 41.900 3.569 1.00 53.13 H new ATOM 0 HE2 LYS A 75 -7.420 44.206 3.939 1.00 42.04 H new ATOM 0 HE3 LYS A 75 -5.789 44.110 3.306 1.00 42.04 H new ATOM 0 HZ1 LYS A 75 -7.134 45.877 2.279 1.00 13.03 H new ATOM 0 HZ2 LYS A 75 -6.570 44.752 1.140 1.00 13.03 H new ATOM 0 HZ3 LYS A 75 -8.189 44.706 1.648 1.00 13.03 H new ATOM 1257 N ASP A 76 -5.764 37.889 0.345 1.00 24.22 N ATOM 1258 CA ASP A 76 -5.781 36.714 -0.518 1.00 60.50 C ATOM 1259 C ASP A 76 -5.415 35.457 0.267 1.00 54.53 C ATOM 1260 O ASP A 76 -5.121 34.414 -0.316 1.00 23.53 O ATOM 1261 CB ASP A 76 -4.813 36.899 -1.688 1.00 1.15 C ATOM 1262 CG ASP A 76 -5.521 37.301 -2.967 1.00 5.04 C ATOM 1263 OD1 ASP A 76 -6.585 36.720 -3.263 1.00 13.02 O ATOM 1264 OD2 ASP A 76 -5.009 38.196 -3.672 1.00 11.10 O ATOM 0 H ASP A 76 -4.854 38.344 0.419 1.00 24.22 H new ATOM 0 HA ASP A 76 -6.792 36.596 -0.908 1.00 60.50 H new ATOM 0 HB2 ASP A 76 -4.076 37.660 -1.429 1.00 1.15 H new ATOM 0 HB3 ASP A 76 -4.267 35.970 -1.855 1.00 1.15 H new ATOM 1269 N ASP A 77 -5.436 35.566 1.590 1.00 4.44 N ATOM 1270 CA ASP A 77 -5.106 34.439 2.455 1.00 13.55 C ATOM 1271 C ASP A 77 -6.075 33.282 2.232 1.00 25.03 C ATOM 1272 O ASP A 77 -5.734 32.121 2.460 1.00 24.23 O ATOM 1273 CB ASP A 77 -5.136 34.870 3.923 1.00 61.21 C ATOM 1274 CG ASP A 77 -6.540 34.884 4.494 1.00 72.11 C ATOM 1275 OD1 ASP A 77 -7.304 35.817 4.168 1.00 73.31 O ATOM 1276 OD2 ASP A 77 -6.876 33.962 5.266 1.00 64.20 O ATOM 0 H ASP A 77 -5.678 36.423 2.087 1.00 4.44 H new ATOM 0 HA ASP A 77 -4.101 34.101 2.204 1.00 13.55 H new ATOM 0 HB2 ASP A 77 -4.515 34.193 4.510 1.00 61.21 H new ATOM 0 HB3 ASP A 77 -4.699 35.864 4.016 1.00 61.21 H new ATOM 1281 N HIS A 78 -7.284 33.606 1.786 1.00 1.41 N ATOM 1282 CA HIS A 78 -8.302 32.593 1.533 1.00 54.45 C ATOM 1283 C HIS A 78 -7.953 31.770 0.297 1.00 74.34 C ATOM 1284 O HIS A 78 -8.460 30.663 0.112 1.00 13.11 O ATOM 1285 CB HIS A 78 -9.671 33.250 1.352 1.00 13.22 C ATOM 1286 CG HIS A 78 -9.773 34.095 0.119 1.00 23.35 C ATOM 1287 ND1 HIS A 78 -9.714 35.472 0.144 1.00 51.11 N ATOM 1288 CD2 HIS A 78 -9.928 33.749 -1.180 1.00 11.20 C ATOM 1289 CE1 HIS A 78 -9.831 35.937 -1.087 1.00 2.50 C ATOM 1290 NE2 HIS A 78 -9.961 34.912 -1.909 1.00 54.24 N ATOM 0 H HIS A 78 -7.583 34.562 1.592 1.00 1.41 H new ATOM 0 HA HIS A 78 -8.338 31.926 2.394 1.00 54.45 H new ATOM 0 HB2 HIS A 78 -10.435 32.474 1.314 1.00 13.22 H new ATOM 0 HB3 HIS A 78 -9.887 33.867 2.224 1.00 13.22 H new ATOM 0 HD1 HIS A 78 -9.598 36.042 0.982 1.00 51.11 H new ATOM 0 HD2 HIS A 78 -10.010 32.745 -1.570 1.00 11.20 H new ATOM 0 HE1 HIS A 78 -9.822 36.979 -1.372 1.00 2.50 H new ATOM 1298 N VAL A 79 -7.085 32.317 -0.548 1.00 11.31 N ATOM 1299 CA VAL A 79 -6.668 31.633 -1.766 1.00 52.21 C ATOM 1300 C VAL A 79 -6.098 30.254 -1.454 1.00 42.23 C ATOM 1301 O VAL A 79 -5.058 30.132 -0.807 1.00 43.51 O ATOM 1302 CB VAL A 79 -5.614 32.451 -2.536 1.00 70.31 C ATOM 1303 CG1 VAL A 79 -5.130 31.683 -3.757 1.00 12.20 C ATOM 1304 CG2 VAL A 79 -6.179 33.805 -2.937 1.00 31.01 C ATOM 0 H VAL A 79 -6.657 33.233 -0.411 1.00 11.31 H new ATOM 0 HA VAL A 79 -7.556 31.523 -2.388 1.00 52.21 H new ATOM 0 HB VAL A 79 -4.760 32.620 -1.880 1.00 70.31 H new ATOM 0 HG11 VAL A 79 -4.386 32.276 -4.289 1.00 12.20 H new ATOM 0 HG12 VAL A 79 -4.684 30.740 -3.441 1.00 12.20 H new ATOM 0 HG13 VAL A 79 -5.973 31.482 -4.418 1.00 12.20 H new ATOM 0 HG21 VAL A 79 -5.421 34.369 -3.480 1.00 31.01 H new ATOM 0 HG22 VAL A 79 -7.051 33.661 -3.575 1.00 31.01 H new ATOM 0 HG23 VAL A 79 -6.471 34.356 -2.043 1.00 31.01 H new ATOM 1314 N VAL A 80 -6.786 29.216 -1.920 1.00 4.33 N ATOM 1315 CA VAL A 80 -6.347 27.845 -1.692 1.00 60.52 C ATOM 1316 C VAL A 80 -5.421 27.372 -2.807 1.00 24.21 C ATOM 1317 O VAL A 80 -5.849 27.185 -3.946 1.00 60.31 O ATOM 1318 CB VAL A 80 -7.545 26.882 -1.592 1.00 61.52 C ATOM 1319 CG1 VAL A 80 -7.068 25.438 -1.559 1.00 20.50 C ATOM 1320 CG2 VAL A 80 -8.385 27.203 -0.365 1.00 60.53 C ATOM 0 H VAL A 80 -7.649 29.299 -2.457 1.00 4.33 H new ATOM 0 HA VAL A 80 -5.805 27.839 -0.746 1.00 60.52 H new ATOM 0 HB VAL A 80 -8.169 27.013 -2.476 1.00 61.52 H new ATOM 0 HG11 VAL A 80 -7.928 24.772 -1.488 1.00 20.50 H new ATOM 0 HG12 VAL A 80 -6.512 25.217 -2.470 1.00 20.50 H new ATOM 0 HG13 VAL A 80 -6.421 25.288 -0.695 1.00 20.50 H new ATOM 0 HG21 VAL A 80 -9.227 26.513 -0.310 1.00 60.53 H new ATOM 0 HG22 VAL A 80 -7.773 27.101 0.531 1.00 60.53 H new ATOM 0 HG23 VAL A 80 -8.757 28.225 -0.436 1.00 60.53 H new ATOM 1330 N ILE A 81 -4.149 27.180 -2.471 1.00 15.12 N ATOM 1331 CA ILE A 81 -3.163 26.727 -3.443 1.00 44.43 C ATOM 1332 C ILE A 81 -3.066 25.206 -3.461 1.00 23.35 C ATOM 1333 O ILE A 81 -2.564 24.593 -2.517 1.00 40.13 O ATOM 1334 CB ILE A 81 -1.770 27.316 -3.148 1.00 73.12 C ATOM 1335 CG1 ILE A 81 -1.823 28.845 -3.173 1.00 71.23 C ATOM 1336 CG2 ILE A 81 -0.753 26.799 -4.154 1.00 42.02 C ATOM 1337 CD1 ILE A 81 -1.792 29.473 -1.798 1.00 3.24 C ATOM 0 H ILE A 81 -3.778 27.331 -1.533 1.00 15.12 H new ATOM 0 HA ILE A 81 -3.498 27.078 -4.419 1.00 44.43 H new ATOM 0 HB ILE A 81 -1.461 26.999 -2.152 1.00 73.12 H new ATOM 0 HG12 ILE A 81 -0.981 29.220 -3.754 1.00 71.23 H new ATOM 0 HG13 ILE A 81 -2.731 29.161 -3.687 1.00 71.23 H new ATOM 0 HG21 ILE A 81 0.226 27.224 -3.933 1.00 42.02 H new ATOM 0 HG22 ILE A 81 -0.699 25.712 -4.091 1.00 42.02 H new ATOM 0 HG23 ILE A 81 -1.056 27.090 -5.160 1.00 42.02 H new ATOM 0 HD11 ILE A 81 -1.833 30.558 -1.893 1.00 3.24 H new ATOM 0 HD12 ILE A 81 -2.649 29.127 -1.220 1.00 3.24 H new ATOM 0 HD13 ILE A 81 -0.872 29.187 -1.288 1.00 3.24 H new ATOM 1349 N THR A 82 -3.548 24.599 -4.541 1.00 50.50 N ATOM 1350 CA THR A 82 -3.516 23.149 -4.682 1.00 45.34 C ATOM 1351 C THR A 82 -2.361 22.710 -5.575 1.00 61.33 C ATOM 1352 O THR A 82 -2.365 22.960 -6.781 1.00 60.03 O ATOM 1353 CB THR A 82 -4.835 22.612 -5.268 1.00 13.24 C ATOM 1354 OG1 THR A 82 -4.676 21.244 -5.660 1.00 15.23 O ATOM 1355 CG2 THR A 82 -5.273 23.441 -6.466 1.00 21.01 C ATOM 0 H THR A 82 -3.966 25.090 -5.332 1.00 50.50 H new ATOM 0 HA THR A 82 -3.377 22.737 -3.682 1.00 45.34 H new ATOM 0 HB THR A 82 -5.604 22.682 -4.498 1.00 13.24 H new ATOM 0 HG1 THR A 82 -5.520 20.910 -6.030 1.00 15.23 H new ATOM 0 HG21 THR A 82 -6.207 23.042 -6.862 1.00 21.01 H new ATOM 0 HG22 THR A 82 -5.422 24.476 -6.157 1.00 21.01 H new ATOM 0 HG23 THR A 82 -4.504 23.400 -7.238 1.00 21.01 H new ATOM 1363 N LEU A 83 -1.373 22.053 -4.977 1.00 34.12 N ATOM 1364 CA LEU A 83 -0.211 21.577 -5.719 1.00 30.13 C ATOM 1365 C LEU A 83 -0.637 20.837 -6.983 1.00 33.15 C ATOM 1366 O LEU A 83 -1.106 19.700 -6.921 1.00 34.44 O ATOM 1367 CB LEU A 83 0.639 20.659 -4.839 1.00 4.02 C ATOM 1368 CG LEU A 83 2.149 20.708 -5.080 1.00 34.13 C ATOM 1369 CD1 LEU A 83 2.691 22.098 -4.786 1.00 42.04 C ATOM 1370 CD2 LEU A 83 2.859 19.666 -4.228 1.00 74.41 C ATOM 0 H LEU A 83 -1.354 21.838 -3.980 1.00 34.12 H new ATOM 0 HA LEU A 83 0.383 22.443 -6.011 1.00 30.13 H new ATOM 0 HB2 LEU A 83 0.449 20.911 -3.796 1.00 4.02 H new ATOM 0 HB3 LEU A 83 0.301 19.633 -4.985 1.00 4.02 H new ATOM 0 HG LEU A 83 2.338 20.481 -6.129 1.00 34.13 H new ATOM 0 HD11 LEU A 83 3.766 22.114 -4.963 1.00 42.04 H new ATOM 0 HD12 LEU A 83 2.205 22.824 -5.438 1.00 42.04 H new ATOM 0 HD13 LEU A 83 2.491 22.354 -3.746 1.00 42.04 H new ATOM 0 HD21 LEU A 83 3.932 19.715 -4.412 1.00 74.41 H new ATOM 0 HD22 LEU A 83 2.662 19.862 -3.174 1.00 74.41 H new ATOM 0 HD23 LEU A 83 2.492 18.673 -4.487 1.00 74.41 H new ATOM 1382 N LEU A 84 -0.469 21.488 -8.128 1.00 54.11 N ATOM 1383 CA LEU A 84 -0.835 20.891 -9.408 1.00 44.21 C ATOM 1384 C LEU A 84 0.354 20.165 -10.029 1.00 44.34 C ATOM 1385 O LEU A 84 1.083 20.732 -10.843 1.00 50.11 O ATOM 1386 CB LEU A 84 -1.348 21.967 -10.367 1.00 22.10 C ATOM 1387 CG LEU A 84 -2.450 22.878 -9.826 1.00 10.04 C ATOM 1388 CD1 LEU A 84 -2.962 23.803 -10.918 1.00 52.54 C ATOM 1389 CD2 LEU A 84 -3.589 22.051 -9.247 1.00 51.30 C ATOM 0 H LEU A 84 -0.082 22.429 -8.197 1.00 54.11 H new ATOM 0 HA LEU A 84 -1.628 20.165 -9.229 1.00 44.21 H new ATOM 0 HB2 LEU A 84 -0.505 22.589 -10.668 1.00 22.10 H new ATOM 0 HB3 LEU A 84 -1.719 21.476 -11.267 1.00 22.10 H new ATOM 0 HG LEU A 84 -2.030 23.490 -9.028 1.00 10.04 H new ATOM 0 HD11 LEU A 84 -3.746 24.444 -10.514 1.00 52.54 H new ATOM 0 HD12 LEU A 84 -2.142 24.420 -11.286 1.00 52.54 H new ATOM 0 HD13 LEU A 84 -3.366 23.209 -11.738 1.00 52.54 H new ATOM 0 HD21 LEU A 84 -4.364 22.716 -8.867 1.00 51.30 H new ATOM 0 HD22 LEU A 84 -4.008 21.413 -10.025 1.00 51.30 H new ATOM 0 HD23 LEU A 84 -3.212 21.431 -8.434 1.00 51.30 H new ATOM 1401 N GLU A 85 0.542 18.908 -9.641 1.00 63.23 N ATOM 1402 CA GLU A 85 1.642 18.105 -10.162 1.00 24.31 C ATOM 1403 C GLU A 85 1.128 16.793 -10.749 1.00 42.43 C ATOM 1404 O GLU A 85 -0.074 16.620 -10.946 1.00 61.42 O ATOM 1405 CB GLU A 85 2.661 17.817 -9.057 1.00 35.43 C ATOM 1406 CG GLU A 85 3.752 18.868 -8.945 1.00 71.15 C ATOM 1407 CD GLU A 85 5.133 18.261 -8.795 1.00 23.04 C ATOM 1408 OE1 GLU A 85 5.765 17.958 -9.828 1.00 71.22 O ATOM 1409 OE2 GLU A 85 5.583 18.090 -7.642 1.00 33.40 O ATOM 0 H GLU A 85 -0.052 18.424 -8.968 1.00 63.23 H new ATOM 0 HA GLU A 85 2.128 18.673 -10.956 1.00 24.31 H new ATOM 0 HB2 GLU A 85 2.139 17.745 -8.103 1.00 35.43 H new ATOM 0 HB3 GLU A 85 3.121 16.846 -9.243 1.00 35.43 H new ATOM 0 HG2 GLU A 85 3.732 19.503 -9.831 1.00 71.15 H new ATOM 0 HG3 GLU A 85 3.546 19.510 -8.088 1.00 71.15 H new TER 1416 GLU A 85