USER MOD reduce.3.24.130724 H: found=0, std=0, add=556, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 555 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 20 ASN : amide:sc= -0.402 K(o=-0.75,f=-1.4) USER MOD Set 1.2: A 24 ASN : amide:sc= -0.344 K(o=-0.75,f=-1.4) USER MOD Set 2.1: A 14 CYS SG : rot -180:sc= 1.49 USER MOD Set 2.2: A 17 CYS SG : rot 37:sc= 0.0429 USER MOD Set 3.1: A 8 GLN : amide:sc= 0.00387 K(o=0.74,f=-1.5) USER MOD Set 3.2: A 10 THR OG1 : rot 180:sc= 0.735 USER MOD Set 3.3: A 12 MET CE :methyl -165:sc= 0 (180deg=-0.106) USER MOD Set 4.1: A 4 LYS NZ :NH3+ -155:sc= 1.04 (180deg=0.535) USER MOD Set 4.2: A 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 2 SER OG : rot -155:sc= 0.634 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 CYS SG : rot 180:sc= -0.74 USER MOD Single : A 13 THR OG1 : rot -50:sc= 0.00708 USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 39 MET CE :methyl 170:sc= 0 (180deg=-0.129) USER MOD Single : A 42 LYS NZ :NH3+ 163:sc= 1.19 (180deg=1.09) USER MOD Single : A 47 TYR OH : rot -150:sc= 1.15 USER MOD Single : A 48 ASN : amide:sc= -1.29 K(o=-1.3,f=-0.33) USER MOD Single : A 53 GLN : amide:sc= -0.281 X(o=-0.28,f=-0.12) USER MOD Single : A 56 MET CE :methyl 172:sc=-0.00297 (180deg=-0.122) USER MOD Single : A 69 THR OG1 : rot 30:sc= 0.344 USER MOD ----------------------------------------------------------------- ATOM 17 N SER A 2 -0.586 14.035 -6.990 1.00 1.70 N ATOM 18 CA SER A 2 -0.806 13.082 -5.918 1.00 1.41 C ATOM 19 C SER A 2 -2.254 12.602 -5.998 1.00 1.36 C ATOM 20 O SER A 2 -3.181 13.293 -5.567 1.00 2.05 O ATOM 21 CB SER A 2 -0.492 13.693 -4.558 1.00 1.81 C ATOM 22 OG SER A 2 0.708 14.440 -4.586 1.00 2.52 O ATOM 0 HA SER A 2 -0.132 12.233 -6.034 1.00 1.41 H new ATOM 0 HB2 SER A 2 -1.315 14.338 -4.250 1.00 1.81 H new ATOM 0 HB3 SER A 2 -0.411 12.901 -3.813 1.00 1.81 H new ATOM 0 HG SER A 2 1.093 14.475 -3.685 1.00 2.52 H new ATOM 28 N SER A 3 -2.427 11.410 -6.549 1.00 0.70 N ATOM 29 CA SER A 3 -3.706 10.755 -6.805 1.00 0.63 C ATOM 30 C SER A 3 -3.844 9.586 -5.832 1.00 0.53 C ATOM 31 O SER A 3 -2.832 8.978 -5.490 1.00 0.76 O ATOM 32 CB SER A 3 -3.733 10.265 -8.257 1.00 0.94 C ATOM 33 OG SER A 3 -3.380 11.325 -9.130 1.00 2.01 O ATOM 0 H SER A 3 -1.636 10.840 -6.847 1.00 0.70 H new ATOM 0 HA SER A 3 -4.538 11.444 -6.659 1.00 0.63 H new ATOM 0 HB2 SER A 3 -3.040 9.433 -8.382 1.00 0.94 H new ATOM 0 HB3 SER A 3 -4.727 9.893 -8.506 1.00 0.94 H new ATOM 0 HG SER A 3 -3.397 11.005 -10.056 1.00 2.01 H new ATOM 39 N LYS A 4 -5.059 9.308 -5.344 1.00 0.60 N ATOM 40 CA LYS A 4 -5.312 8.243 -4.379 1.00 0.64 C ATOM 41 C LYS A 4 -5.759 6.967 -5.091 1.00 0.67 C ATOM 42 O LYS A 4 -6.133 7.013 -6.263 1.00 1.05 O ATOM 43 CB LYS A 4 -6.314 8.711 -3.304 1.00 0.97 C ATOM 44 CG LYS A 4 -6.009 8.028 -1.962 1.00 1.37 C ATOM 45 CD LYS A 4 -6.883 8.490 -0.793 1.00 2.06 C ATOM 46 CE LYS A 4 -6.186 8.036 0.503 1.00 3.82 C ATOM 47 NZ LYS A 4 -7.054 8.094 1.695 1.00 4.71 N ATOM 0 H LYS A 4 -5.898 9.823 -5.613 1.00 0.60 H new ATOM 0 HA LYS A 4 -4.384 8.004 -3.860 1.00 0.64 H new ATOM 0 HB2 LYS A 4 -6.258 9.794 -3.191 1.00 0.97 H new ATOM 0 HB3 LYS A 4 -7.331 8.476 -3.617 1.00 0.97 H new ATOM 0 HG2 LYS A 4 -6.128 6.951 -2.083 1.00 1.37 H new ATOM 0 HG3 LYS A 4 -4.964 8.207 -1.709 1.00 1.37 H new ATOM 0 HD2 LYS A 4 -7.003 9.573 -0.807 1.00 2.06 H new ATOM 0 HD3 LYS A 4 -7.881 8.058 -0.865 1.00 2.06 H new ATOM 0 HE2 LYS A 4 -5.829 7.014 0.374 1.00 3.82 H new ATOM 0 HE3 LYS A 4 -5.309 8.661 0.672 1.00 3.82 H new ATOM 0 HZ1 LYS A 4 -6.467 8.196 2.547 1.00 4.71 H new ATOM 0 HZ2 LYS A 4 -7.696 8.908 1.618 1.00 4.71 H new ATOM 0 HZ3 LYS A 4 -7.612 7.219 1.761 1.00 4.71 H new ATOM 61 N CYS A 5 -5.714 5.827 -4.398 1.00 0.61 N ATOM 62 CA CYS A 5 -6.534 4.671 -4.734 1.00 0.69 C ATOM 63 C CYS A 5 -6.754 3.832 -3.479 1.00 0.73 C ATOM 64 O CYS A 5 -6.204 4.152 -2.424 1.00 0.88 O ATOM 65 CB CYS A 5 -5.969 3.838 -5.896 1.00 0.92 C ATOM 66 SG CYS A 5 -4.655 2.738 -5.335 1.00 2.02 S ATOM 0 H CYS A 5 -5.108 5.684 -3.590 1.00 0.61 H new ATOM 0 HA CYS A 5 -7.495 5.035 -5.098 1.00 0.69 H new ATOM 0 HB2 CYS A 5 -6.769 3.252 -6.348 1.00 0.92 H new ATOM 0 HB3 CYS A 5 -5.584 4.503 -6.669 1.00 0.92 H new ATOM 0 HG CYS A 5 -4.205 2.051 -6.342 1.00 2.02 H new ATOM 72 N TYR A 6 -7.586 2.795 -3.593 1.00 0.77 N ATOM 73 CA TYR A 6 -8.004 1.928 -2.503 1.00 0.86 C ATOM 74 C TYR A 6 -7.630 0.493 -2.862 1.00 0.93 C ATOM 75 O TYR A 6 -7.676 0.109 -4.031 1.00 0.98 O ATOM 76 CB TYR A 6 -9.511 2.088 -2.266 1.00 0.95 C ATOM 77 CG TYR A 6 -9.894 3.450 -1.719 1.00 0.97 C ATOM 78 CD1 TYR A 6 -9.999 4.560 -2.580 1.00 2.39 C ATOM 79 CD2 TYR A 6 -10.056 3.626 -0.333 1.00 1.67 C ATOM 80 CE1 TYR A 6 -10.149 5.853 -2.047 1.00 2.67 C ATOM 81 CE2 TYR A 6 -10.286 4.910 0.190 1.00 1.74 C ATOM 82 CZ TYR A 6 -10.273 6.027 -0.659 1.00 1.61 C ATOM 83 OH TYR A 6 -10.325 7.280 -0.124 1.00 2.09 O ATOM 0 H TYR A 6 -8.001 2.530 -4.486 1.00 0.77 H new ATOM 0 HA TYR A 6 -7.501 2.196 -1.574 1.00 0.86 H new ATOM 0 HB2 TYR A 6 -10.039 1.920 -3.205 1.00 0.95 H new ATOM 0 HB3 TYR A 6 -9.846 1.318 -1.571 1.00 0.95 H new ATOM 0 HD1 TYR A 6 -9.964 4.418 -3.650 1.00 2.39 H new ATOM 0 HD2 TYR A 6 -10.004 2.775 0.329 1.00 1.67 H new ATOM 0 HE1 TYR A 6 -10.169 6.710 -2.704 1.00 2.67 H new ATOM 0 HE2 TYR A 6 -10.473 5.037 1.246 1.00 1.74 H new ATOM 0 HH TYR A 6 -10.412 7.216 0.850 1.00 2.09 H new ATOM 93 N ILE A 7 -7.193 -0.277 -1.865 1.00 1.03 N ATOM 94 CA ILE A 7 -6.547 -1.567 -2.020 1.00 0.97 C ATOM 95 C ILE A 7 -6.978 -2.427 -0.821 1.00 0.99 C ATOM 96 O ILE A 7 -6.944 -1.983 0.328 1.00 1.21 O ATOM 97 CB ILE A 7 -5.007 -1.384 -2.097 1.00 0.94 C ATOM 98 CG1 ILE A 7 -4.581 -0.232 -3.032 1.00 1.39 C ATOM 99 CG2 ILE A 7 -4.286 -2.671 -2.527 1.00 0.95 C ATOM 100 CD1 ILE A 7 -3.061 -0.101 -3.188 1.00 1.56 C ATOM 0 H ILE A 7 -7.287 -0.001 -0.888 1.00 1.03 H new ATOM 0 HA ILE A 7 -6.841 -2.062 -2.946 1.00 0.97 H new ATOM 0 HB ILE A 7 -4.707 -1.130 -1.080 1.00 0.94 H new ATOM 0 HG12 ILE A 7 -5.027 -0.388 -4.014 1.00 1.39 H new ATOM 0 HG13 ILE A 7 -4.981 0.706 -2.646 1.00 1.39 H new ATOM 0 HG21 ILE A 7 -3.212 -2.491 -2.566 1.00 0.95 H new ATOM 0 HG22 ILE A 7 -4.495 -3.463 -1.808 1.00 0.95 H new ATOM 0 HG23 ILE A 7 -4.639 -2.974 -3.513 1.00 0.95 H new ATOM 0 HD11 ILE A 7 -2.834 0.728 -3.858 1.00 1.56 H new ATOM 0 HD12 ILE A 7 -2.610 0.086 -2.214 1.00 1.56 H new ATOM 0 HD13 ILE A 7 -2.657 -1.024 -3.603 1.00 1.56 H new ATOM 112 N GLN A 8 -7.394 -3.666 -1.076 1.00 0.89 N ATOM 113 CA GLN A 8 -7.537 -4.666 -0.042 1.00 0.82 C ATOM 114 C GLN A 8 -6.148 -5.270 0.136 1.00 0.67 C ATOM 115 O GLN A 8 -5.558 -5.717 -0.844 1.00 0.80 O ATOM 116 CB GLN A 8 -8.606 -5.674 -0.462 1.00 1.10 C ATOM 117 CG GLN A 8 -8.376 -7.070 0.112 1.00 1.95 C ATOM 118 CD GLN A 8 -8.158 -7.125 1.621 1.00 2.67 C ATOM 119 OE1 GLN A 8 -8.520 -6.207 2.347 1.00 3.05 O ATOM 120 NE2 GLN A 8 -7.523 -8.182 2.111 1.00 3.59 N ATOM 0 H GLN A 8 -7.639 -3.996 -2.009 1.00 0.89 H new ATOM 0 HA GLN A 8 -7.877 -4.268 0.914 1.00 0.82 H new ATOM 0 HB2 GLN A 8 -9.583 -5.313 -0.141 1.00 1.10 H new ATOM 0 HB3 GLN A 8 -8.631 -5.735 -1.550 1.00 1.10 H new ATOM 0 HG2 GLN A 8 -9.234 -7.694 -0.138 1.00 1.95 H new ATOM 0 HG3 GLN A 8 -7.508 -7.509 -0.380 1.00 1.95 H new ATOM 0 HE21 GLN A 8 -7.230 -8.935 1.488 1.00 3.59 H new ATOM 0 HE22 GLN A 8 -7.327 -8.241 3.110 1.00 3.59 H new ATOM 129 N VAL A 9 -5.638 -5.260 1.370 1.00 0.65 N ATOM 130 CA VAL A 9 -4.354 -5.840 1.732 1.00 0.77 C ATOM 131 C VAL A 9 -4.610 -7.074 2.591 1.00 0.87 C ATOM 132 O VAL A 9 -4.926 -6.970 3.776 1.00 1.38 O ATOM 133 CB VAL A 9 -3.431 -4.792 2.388 1.00 0.95 C ATOM 134 CG1 VAL A 9 -4.021 -4.086 3.620 1.00 2.31 C ATOM 135 CG2 VAL A 9 -2.072 -5.408 2.745 1.00 2.10 C ATOM 0 H VAL A 9 -6.123 -4.836 2.161 1.00 0.65 H new ATOM 0 HA VAL A 9 -3.811 -6.163 0.844 1.00 0.77 H new ATOM 0 HB VAL A 9 -3.311 -4.018 1.630 1.00 0.95 H new ATOM 0 HG11 VAL A 9 -3.298 -3.369 4.009 1.00 2.31 H new ATOM 0 HG12 VAL A 9 -4.935 -3.563 3.337 1.00 2.31 H new ATOM 0 HG13 VAL A 9 -4.249 -4.825 4.388 1.00 2.31 H new ATOM 0 HG21 VAL A 9 -1.439 -4.650 3.206 1.00 2.10 H new ATOM 0 HG22 VAL A 9 -2.218 -6.232 3.443 1.00 2.10 H new ATOM 0 HG23 VAL A 9 -1.592 -5.780 1.840 1.00 2.10 H new ATOM 145 N THR A 10 -4.497 -8.260 1.994 1.00 0.99 N ATOM 146 CA THR A 10 -4.648 -9.513 2.713 1.00 1.09 C ATOM 147 C THR A 10 -3.427 -9.720 3.615 1.00 1.23 C ATOM 148 O THR A 10 -2.485 -10.430 3.267 1.00 1.85 O ATOM 149 CB THR A 10 -4.927 -10.641 1.717 1.00 1.40 C ATOM 150 OG1 THR A 10 -5.980 -10.217 0.866 1.00 2.53 O ATOM 151 CG2 THR A 10 -5.354 -11.933 2.420 1.00 1.77 C ATOM 0 H THR A 10 -4.298 -8.373 1.000 1.00 0.99 H new ATOM 0 HA THR A 10 -5.509 -9.502 3.381 1.00 1.09 H new ATOM 0 HB THR A 10 -4.013 -10.851 1.161 1.00 1.40 H new ATOM 0 HG1 THR A 10 -6.179 -10.922 0.215 1.00 2.53 H new ATOM 0 HG21 THR A 10 -5.542 -12.707 1.676 1.00 1.77 H new ATOM 0 HG22 THR A 10 -4.561 -12.261 3.092 1.00 1.77 H new ATOM 0 HG23 THR A 10 -6.263 -11.752 2.993 1.00 1.77 H new ATOM 159 N GLY A 11 -3.485 -9.043 4.763 1.00 1.25 N ATOM 160 CA GLY A 11 -2.594 -9.108 5.910 1.00 1.50 C ATOM 161 C GLY A 11 -3.246 -8.293 7.029 1.00 1.33 C ATOM 162 O GLY A 11 -3.471 -8.819 8.116 1.00 2.29 O ATOM 0 H GLY A 11 -4.234 -8.370 4.923 1.00 1.25 H new ATOM 0 HA2 GLY A 11 -2.443 -10.141 6.223 1.00 1.50 H new ATOM 0 HA3 GLY A 11 -1.613 -8.704 5.660 1.00 1.50 H new ATOM 166 N MET A 12 -3.614 -7.038 6.727 1.00 1.47 N ATOM 167 CA MET A 12 -4.330 -6.088 7.583 1.00 1.58 C ATOM 168 C MET A 12 -3.533 -5.721 8.838 1.00 2.01 C ATOM 169 O MET A 12 -3.141 -4.571 9.017 1.00 2.67 O ATOM 170 CB MET A 12 -5.741 -6.586 7.942 1.00 1.84 C ATOM 171 CG MET A 12 -6.708 -6.561 6.755 1.00 2.00 C ATOM 172 SD MET A 12 -8.342 -7.234 7.150 1.00 2.84 S ATOM 173 CE MET A 12 -9.074 -7.331 5.503 1.00 3.94 C ATOM 0 H MET A 12 -3.403 -6.635 5.814 1.00 1.47 H new ATOM 0 HA MET A 12 -4.445 -5.175 6.999 1.00 1.58 H new ATOM 0 HB2 MET A 12 -5.674 -7.604 8.326 1.00 1.84 H new ATOM 0 HB3 MET A 12 -6.144 -5.968 8.744 1.00 1.84 H new ATOM 0 HG2 MET A 12 -6.820 -5.534 6.408 1.00 2.00 H new ATOM 0 HG3 MET A 12 -6.277 -7.131 5.932 1.00 2.00 H new ATOM 0 HE1 MET A 12 -10.152 -7.469 5.591 1.00 3.94 H new ATOM 0 HE2 MET A 12 -8.870 -6.409 4.959 1.00 3.94 H new ATOM 0 HE3 MET A 12 -8.643 -8.174 4.963 1.00 3.94 H new ATOM 183 N THR A 13 -3.326 -6.689 9.726 1.00 2.21 N ATOM 184 CA THR A 13 -2.489 -6.573 10.903 1.00 2.87 C ATOM 185 C THR A 13 -1.951 -7.969 11.233 1.00 2.23 C ATOM 186 O THR A 13 -2.087 -8.453 12.353 1.00 2.74 O ATOM 187 CB THR A 13 -3.247 -5.849 12.033 1.00 3.96 C ATOM 188 OG1 THR A 13 -2.388 -5.538 13.113 1.00 4.96 O ATOM 189 CG2 THR A 13 -4.495 -6.584 12.538 1.00 4.31 C ATOM 0 H THR A 13 -3.756 -7.609 9.636 1.00 2.21 H new ATOM 0 HA THR A 13 -1.617 -5.940 10.738 1.00 2.87 H new ATOM 0 HB THR A 13 -3.608 -4.927 11.578 1.00 3.96 H new ATOM 0 HG1 THR A 13 -1.888 -6.339 13.374 1.00 4.96 H new ATOM 0 HG21 THR A 13 -4.964 -6.002 13.331 1.00 4.31 H new ATOM 0 HG22 THR A 13 -5.200 -6.711 11.716 1.00 4.31 H new ATOM 0 HG23 THR A 13 -4.209 -7.562 12.926 1.00 4.31 H new ATOM 197 N CYS A 14 -1.331 -8.609 10.231 1.00 1.69 N ATOM 198 CA CYS A 14 -0.638 -9.884 10.367 1.00 1.66 C ATOM 199 C CYS A 14 0.212 -9.880 11.647 1.00 2.07 C ATOM 200 O CYS A 14 0.080 -10.764 12.491 1.00 3.10 O ATOM 201 CB CYS A 14 0.172 -10.177 9.093 1.00 1.94 C ATOM 202 SG CYS A 14 1.165 -8.751 8.568 1.00 2.49 S ATOM 0 H CYS A 14 -1.301 -8.238 9.281 1.00 1.69 H new ATOM 0 HA CYS A 14 -1.355 -10.698 10.472 1.00 1.66 H new ATOM 0 HB2 CYS A 14 0.828 -11.029 9.270 1.00 1.94 H new ATOM 0 HB3 CYS A 14 -0.508 -10.460 8.289 1.00 1.94 H new ATOM 0 HG CYS A 14 1.822 -9.054 7.488 1.00 2.49 H new ATOM 207 N ALA A 15 1.012 -8.822 11.801 1.00 2.27 N ATOM 208 CA ALA A 15 1.535 -8.304 13.051 1.00 2.38 C ATOM 209 C ALA A 15 2.234 -6.990 12.727 1.00 1.95 C ATOM 210 O ALA A 15 3.387 -6.976 12.303 1.00 2.86 O ATOM 211 CB ALA A 15 2.488 -9.297 13.729 1.00 3.18 C ATOM 0 H ALA A 15 1.327 -8.275 11.000 1.00 2.27 H new ATOM 0 HA ALA A 15 0.725 -8.145 13.763 1.00 2.38 H new ATOM 0 HB1 ALA A 15 2.856 -8.869 14.661 1.00 3.18 H new ATOM 0 HB2 ALA A 15 1.956 -10.225 13.941 1.00 3.18 H new ATOM 0 HB3 ALA A 15 3.329 -9.504 13.067 1.00 3.18 H new ATOM 217 N SER A 16 1.501 -5.883 12.866 1.00 1.29 N ATOM 218 CA SER A 16 1.973 -4.561 12.478 1.00 1.38 C ATOM 219 C SER A 16 2.323 -4.531 10.984 1.00 1.42 C ATOM 220 O SER A 16 3.291 -3.900 10.562 1.00 1.72 O ATOM 221 CB SER A 16 3.141 -4.127 13.363 1.00 1.92 C ATOM 222 OG SER A 16 2.874 -4.444 14.718 1.00 2.63 O ATOM 0 H SER A 16 0.558 -5.884 13.254 1.00 1.29 H new ATOM 0 HA SER A 16 1.173 -3.837 12.631 1.00 1.38 H new ATOM 0 HB2 SER A 16 4.056 -4.624 13.039 1.00 1.92 H new ATOM 0 HB3 SER A 16 3.307 -3.055 13.259 1.00 1.92 H new ATOM 0 HG SER A 16 3.630 -4.163 15.275 1.00 2.63 H new ATOM 228 N CYS A 17 1.446 -5.159 10.198 1.00 1.55 N ATOM 229 CA CYS A 17 1.351 -5.064 8.743 1.00 1.87 C ATOM 230 C CYS A 17 1.504 -3.600 8.351 1.00 1.51 C ATOM 231 O CYS A 17 2.200 -3.253 7.399 1.00 1.61 O ATOM 232 CB CYS A 17 -0.043 -5.558 8.320 1.00 2.34 C ATOM 233 SG CYS A 17 -0.135 -6.029 6.576 1.00 4.03 S ATOM 0 H CYS A 17 0.741 -5.785 10.586 1.00 1.55 H new ATOM 0 HA CYS A 17 2.123 -5.663 8.260 1.00 1.87 H new ATOM 0 HB2 CYS A 17 -0.320 -6.414 8.936 1.00 2.34 H new ATOM 0 HB3 CYS A 17 -0.774 -4.774 8.517 1.00 2.34 H new ATOM 0 HG CYS A 17 0.980 -6.595 6.220 1.00 4.03 H new ATOM 238 N VAL A 18 0.843 -2.755 9.144 1.00 1.18 N ATOM 239 CA VAL A 18 0.708 -1.338 8.929 1.00 1.06 C ATOM 240 C VAL A 18 2.049 -0.637 9.071 1.00 0.83 C ATOM 241 O VAL A 18 2.500 0.034 8.151 1.00 0.78 O ATOM 242 CB VAL A 18 -0.382 -0.793 9.862 1.00 1.14 C ATOM 243 CG1 VAL A 18 -1.646 -1.655 9.772 1.00 2.19 C ATOM 244 CG2 VAL A 18 -0.044 -0.659 11.349 1.00 2.09 C ATOM 0 H VAL A 18 0.369 -3.069 9.991 1.00 1.18 H new ATOM 0 HA VAL A 18 0.388 -1.136 7.907 1.00 1.06 H new ATOM 0 HB VAL A 18 -0.512 0.223 9.489 1.00 1.14 H new ATOM 0 HG11 VAL A 18 -2.408 -1.254 10.440 1.00 2.19 H new ATOM 0 HG12 VAL A 18 -2.020 -1.647 8.748 1.00 2.19 H new ATOM 0 HG13 VAL A 18 -1.410 -2.678 10.064 1.00 2.19 H new ATOM 0 HG21 VAL A 18 -0.907 -0.262 11.884 1.00 2.09 H new ATOM 0 HG22 VAL A 18 0.215 -1.638 11.753 1.00 2.09 H new ATOM 0 HG23 VAL A 18 0.801 0.019 11.470 1.00 2.09 H new ATOM 254 N ALA A 19 2.711 -0.869 10.202 1.00 0.80 N ATOM 255 CA ALA A 19 4.073 -0.433 10.453 1.00 0.74 C ATOM 256 C ALA A 19 4.967 -0.861 9.292 1.00 0.85 C ATOM 257 O ALA A 19 5.735 -0.066 8.749 1.00 0.88 O ATOM 258 CB ALA A 19 4.554 -1.050 11.766 1.00 0.90 C ATOM 0 H ALA A 19 2.301 -1.378 10.985 1.00 0.80 H new ATOM 0 HA ALA A 19 4.115 0.653 10.535 1.00 0.74 H new ATOM 0 HB1 ALA A 19 5.577 -0.730 11.965 1.00 0.90 H new ATOM 0 HB2 ALA A 19 3.906 -0.724 12.580 1.00 0.90 H new ATOM 0 HB3 ALA A 19 4.523 -2.137 11.690 1.00 0.90 H new ATOM 264 N ASN A 20 4.840 -2.131 8.902 1.00 1.03 N ATOM 265 CA ASN A 20 5.581 -2.678 7.777 1.00 1.21 C ATOM 266 C ASN A 20 5.308 -1.821 6.539 1.00 1.05 C ATOM 267 O ASN A 20 6.242 -1.296 5.941 1.00 1.03 O ATOM 268 CB ASN A 20 5.266 -4.177 7.617 1.00 1.50 C ATOM 269 CG ASN A 20 5.168 -4.639 6.168 1.00 1.83 C ATOM 270 OD1 ASN A 20 6.134 -5.100 5.570 1.00 2.11 O ATOM 271 ND2 ASN A 20 3.992 -4.526 5.569 1.00 1.94 N ATOM 0 H ASN A 20 4.222 -2.802 9.358 1.00 1.03 H new ATOM 0 HA ASN A 20 6.657 -2.633 7.945 1.00 1.21 H new ATOM 0 HB2 ASN A 20 6.040 -4.756 8.121 1.00 1.50 H new ATOM 0 HB3 ASN A 20 4.325 -4.396 8.122 1.00 1.50 H new ATOM 0 HD21 ASN A 20 3.883 -4.824 4.600 1.00 1.94 H new ATOM 0 HD22 ASN A 20 3.196 -4.141 6.077 1.00 1.94 H new ATOM 278 N ILE A 21 4.037 -1.608 6.200 1.00 1.00 N ATOM 279 CA ILE A 21 3.612 -0.793 5.077 1.00 1.01 C ATOM 280 C ILE A 21 4.243 0.604 5.161 1.00 0.73 C ATOM 281 O ILE A 21 4.889 1.027 4.209 1.00 0.76 O ATOM 282 CB ILE A 21 2.068 -0.799 4.974 1.00 1.27 C ATOM 283 CG1 ILE A 21 1.519 -1.660 3.825 1.00 2.05 C ATOM 284 CG2 ILE A 21 1.501 0.605 4.766 1.00 1.65 C ATOM 285 CD1 ILE A 21 1.863 -3.144 3.875 1.00 1.94 C ATOM 0 H ILE A 21 3.257 -2.012 6.718 1.00 1.00 H new ATOM 0 HA ILE A 21 3.973 -1.217 4.140 1.00 1.01 H new ATOM 0 HB ILE A 21 1.753 -1.222 5.928 1.00 1.27 H new ATOM 0 HG12 ILE A 21 0.434 -1.560 3.810 1.00 2.05 H new ATOM 0 HG13 ILE A 21 1.890 -1.253 2.884 1.00 2.05 H new ATOM 0 HG21 ILE A 21 0.414 0.552 4.699 1.00 1.65 H new ATOM 0 HG22 ILE A 21 1.783 1.239 5.606 1.00 1.65 H new ATOM 0 HG23 ILE A 21 1.901 1.026 3.844 1.00 1.65 H new ATOM 0 HD11 ILE A 21 1.423 -3.649 3.015 1.00 1.94 H new ATOM 0 HD12 ILE A 21 2.946 -3.267 3.853 1.00 1.94 H new ATOM 0 HD13 ILE A 21 1.467 -3.579 4.793 1.00 1.94 H new ATOM 297 N GLU A 22 4.077 1.334 6.268 1.00 0.61 N ATOM 298 CA GLU A 22 4.619 2.673 6.425 1.00 0.65 C ATOM 299 C GLU A 22 6.090 2.678 6.024 1.00 0.67 C ATOM 300 O GLU A 22 6.498 3.379 5.098 1.00 0.83 O ATOM 301 CB GLU A 22 4.504 3.094 7.889 1.00 0.81 C ATOM 302 CG GLU A 22 3.063 3.296 8.370 1.00 1.04 C ATOM 303 CD GLU A 22 2.980 3.058 9.873 1.00 2.03 C ATOM 304 OE1 GLU A 22 4.036 3.239 10.525 1.00 2.96 O ATOM 305 OE2 GLU A 22 1.894 2.661 10.340 1.00 2.70 O ATOM 0 H GLU A 22 3.558 1.004 7.082 1.00 0.61 H new ATOM 0 HA GLU A 22 4.063 3.365 5.793 1.00 0.65 H new ATOM 0 HB2 GLU A 22 4.981 2.338 8.512 1.00 0.81 H new ATOM 0 HB3 GLU A 22 5.058 4.022 8.034 1.00 0.81 H new ATOM 0 HG2 GLU A 22 2.730 4.307 8.134 1.00 1.04 H new ATOM 0 HG3 GLU A 22 2.396 2.610 7.847 1.00 1.04 H new ATOM 312 N ARG A 23 6.875 1.870 6.739 1.00 0.70 N ATOM 313 CA ARG A 23 8.311 1.801 6.561 1.00 0.95 C ATOM 314 C ARG A 23 8.660 1.362 5.134 1.00 1.03 C ATOM 315 O ARG A 23 9.608 1.885 4.550 1.00 1.24 O ATOM 316 CB ARG A 23 8.903 0.876 7.632 1.00 1.15 C ATOM 317 CG ARG A 23 9.144 1.580 8.980 1.00 1.54 C ATOM 318 CD ARG A 23 7.914 2.177 9.695 1.00 3.20 C ATOM 319 NE ARG A 23 8.301 2.752 10.994 1.00 3.87 N ATOM 320 CZ ARG A 23 7.489 3.052 12.025 1.00 5.27 C ATOM 321 NH1 ARG A 23 6.156 3.029 11.928 1.00 6.47 N ATOM 322 NH2 ARG A 23 8.038 3.384 13.200 1.00 5.89 N ATOM 0 H ARG A 23 6.521 1.243 7.462 1.00 0.70 H new ATOM 0 HA ARG A 23 8.754 2.788 6.690 1.00 0.95 H new ATOM 0 HB2 ARG A 23 8.230 0.033 7.786 1.00 1.15 H new ATOM 0 HB3 ARG A 23 9.847 0.469 7.269 1.00 1.15 H new ATOM 0 HG2 ARG A 23 9.613 0.864 9.655 1.00 1.54 H new ATOM 0 HG3 ARG A 23 9.863 2.383 8.818 1.00 1.54 H new ATOM 0 HD2 ARG A 23 7.461 2.947 9.070 1.00 3.20 H new ATOM 0 HD3 ARG A 23 7.161 1.403 9.843 1.00 3.20 H new ATOM 0 HE ARG A 23 9.294 2.944 11.127 1.00 3.87 H new ATOM 0 HH11 ARG A 23 5.713 2.776 11.045 1.00 6.47 H new ATOM 0 HH12 ARG A 23 5.582 3.264 12.737 1.00 6.47 H new ATOM 0 HH21 ARG A 23 9.053 3.406 13.301 1.00 5.89 H new ATOM 0 HH22 ARG A 23 7.442 3.615 13.994 1.00 5.89 H new ATOM 336 N ASN A 24 7.897 0.424 4.563 1.00 1.01 N ATOM 337 CA ASN A 24 8.107 -0.037 3.196 1.00 1.21 C ATOM 338 C ASN A 24 7.910 1.114 2.216 1.00 1.10 C ATOM 339 O ASN A 24 8.774 1.374 1.384 1.00 1.30 O ATOM 340 CB ASN A 24 7.102 -1.121 2.771 1.00 1.44 C ATOM 341 CG ASN A 24 7.166 -2.455 3.492 1.00 2.19 C ATOM 342 OD1 ASN A 24 8.204 -2.868 3.999 1.00 3.22 O ATOM 343 ND2 ASN A 24 6.023 -3.137 3.501 1.00 2.56 N ATOM 0 H ASN A 24 7.119 -0.033 5.039 1.00 1.01 H new ATOM 0 HA ASN A 24 9.120 -0.438 3.176 1.00 1.21 H new ATOM 0 HB2 ASN A 24 6.098 -0.717 2.898 1.00 1.44 H new ATOM 0 HB3 ASN A 24 7.238 -1.307 1.706 1.00 1.44 H new ATOM 0 HD21 ASN A 24 5.980 -4.054 3.946 1.00 2.56 H new ATOM 0 HD22 ASN A 24 5.190 -2.743 3.063 1.00 2.56 H new ATOM 350 N LEU A 25 6.707 1.698 2.208 1.00 0.88 N ATOM 351 CA LEU A 25 6.247 2.473 1.089 1.00 0.86 C ATOM 352 C LEU A 25 6.922 3.833 1.069 1.00 0.92 C ATOM 353 O LEU A 25 7.674 4.129 0.145 1.00 1.46 O ATOM 354 CB LEU A 25 4.706 2.541 1.084 1.00 0.83 C ATOM 355 CG LEU A 25 4.010 1.304 0.460 1.00 1.15 C ATOM 356 CD1 LEU A 25 4.887 0.173 -0.103 1.00 1.73 C ATOM 357 CD2 LEU A 25 3.129 0.621 1.499 1.00 2.21 C ATOM 0 H LEU A 25 6.042 1.638 2.979 1.00 0.88 H new ATOM 0 HA LEU A 25 6.533 1.984 0.158 1.00 0.86 H new ATOM 0 HB2 LEU A 25 4.357 2.660 2.110 1.00 0.83 H new ATOM 0 HB3 LEU A 25 4.396 3.431 0.537 1.00 0.83 H new ATOM 0 HG LEU A 25 3.491 1.758 -0.385 1.00 1.15 H new ATOM 0 HD11 LEU A 25 4.250 -0.617 -0.502 1.00 1.73 H new ATOM 0 HD12 LEU A 25 5.520 0.565 -0.898 1.00 1.73 H new ATOM 0 HD13 LEU A 25 5.513 -0.233 0.692 1.00 1.73 H new ATOM 0 HD21 LEU A 25 2.644 -0.247 1.051 1.00 2.21 H new ATOM 0 HD22 LEU A 25 3.742 0.300 2.341 1.00 2.21 H new ATOM 0 HD23 LEU A 25 2.370 1.321 1.849 1.00 2.21 H new ATOM 369 N ARG A 26 6.667 4.667 2.083 1.00 0.91 N ATOM 370 CA ARG A 26 6.918 6.123 2.061 1.00 1.43 C ATOM 371 C ARG A 26 8.324 6.543 1.662 1.00 1.78 C ATOM 372 O ARG A 26 8.570 7.745 1.569 1.00 2.41 O ATOM 373 CB ARG A 26 6.577 6.826 3.360 1.00 1.82 C ATOM 374 CG ARG A 26 7.443 6.162 4.391 1.00 1.93 C ATOM 375 CD ARG A 26 8.433 7.094 5.114 1.00 2.78 C ATOM 376 NE ARG A 26 9.378 7.755 4.185 1.00 3.83 N ATOM 377 CZ ARG A 26 10.655 8.090 4.433 1.00 5.01 C ATOM 378 NH1 ARG A 26 11.137 7.995 5.676 1.00 5.29 N ATOM 379 NH2 ARG A 26 11.449 8.518 3.444 1.00 6.33 N ATOM 0 H ARG A 26 6.270 4.346 2.966 1.00 0.91 H new ATOM 0 HA ARG A 26 6.234 6.440 1.274 1.00 1.43 H new ATOM 0 HB2 ARG A 26 6.783 7.894 3.298 1.00 1.82 H new ATOM 0 HB3 ARG A 26 5.520 6.719 3.603 1.00 1.82 H new ATOM 0 HG2 ARG A 26 6.800 5.694 5.136 1.00 1.93 H new ATOM 0 HG3 ARG A 26 8.007 5.363 3.909 1.00 1.93 H new ATOM 0 HD2 ARG A 26 7.876 7.855 5.661 1.00 2.78 H new ATOM 0 HD3 ARG A 26 8.995 6.519 5.850 1.00 2.78 H new ATOM 0 HE ARG A 26 9.021 7.980 3.257 1.00 3.83 H new ATOM 0 HH11 ARG A 26 10.536 7.669 6.433 1.00 5.29 H new ATOM 0 HH12 ARG A 26 12.106 8.249 5.868 1.00 5.29 H new ATOM 0 HH21 ARG A 26 11.086 8.592 2.494 1.00 6.33 H new ATOM 0 HH22 ARG A 26 12.418 8.770 3.641 1.00 6.33 H new ATOM 393 N ARG A 27 9.277 5.606 1.673 1.00 1.90 N ATOM 394 CA ARG A 27 10.680 5.813 1.428 1.00 2.58 C ATOM 395 C ARG A 27 10.868 6.961 0.451 1.00 2.56 C ATOM 396 O ARG A 27 11.449 7.986 0.808 1.00 3.49 O ATOM 397 CB ARG A 27 11.250 4.522 0.844 1.00 3.14 C ATOM 398 CG ARG A 27 11.521 3.440 1.891 1.00 3.39 C ATOM 399 CD ARG A 27 12.887 2.785 1.609 1.00 4.18 C ATOM 400 NE ARG A 27 12.807 1.882 0.445 1.00 4.93 N ATOM 401 CZ ARG A 27 12.881 2.216 -0.858 1.00 5.73 C ATOM 402 NH1 ARG A 27 13.388 3.369 -1.291 1.00 5.84 N ATOM 403 NH2 ARG A 27 12.406 1.382 -1.783 1.00 6.98 N ATOM 0 H ARG A 27 9.061 4.628 1.867 1.00 1.90 H new ATOM 0 HA ARG A 27 11.197 6.066 2.354 1.00 2.58 H new ATOM 0 HB2 ARG A 27 10.554 4.131 0.102 1.00 3.14 H new ATOM 0 HB3 ARG A 27 12.179 4.749 0.321 1.00 3.14 H new ATOM 0 HG2 ARG A 27 11.514 3.875 2.890 1.00 3.39 H new ATOM 0 HG3 ARG A 27 10.732 2.688 1.865 1.00 3.39 H new ATOM 0 HD2 ARG A 27 13.634 3.557 1.425 1.00 4.18 H new ATOM 0 HD3 ARG A 27 13.215 2.227 2.486 1.00 4.18 H new ATOM 0 HE ARG A 27 12.681 0.891 0.650 1.00 4.93 H new ATOM 0 HH11 ARG A 27 13.745 4.052 -0.623 1.00 5.84 H new ATOM 0 HH12 ARG A 27 13.419 3.569 -2.291 1.00 5.84 H new ATOM 0 HH21 ARG A 27 11.988 0.494 -1.503 1.00 6.98 H new ATOM 0 HH22 ARG A 27 12.460 1.631 -2.771 1.00 6.98 H new ATOM 417 N GLU A 28 10.280 6.788 -0.730 1.00 2.07 N ATOM 418 CA GLU A 28 10.482 7.662 -1.865 1.00 2.72 C ATOM 419 C GLU A 28 9.426 7.340 -2.897 1.00 1.83 C ATOM 420 O GLU A 28 8.249 7.625 -2.686 1.00 2.57 O ATOM 421 CB GLU A 28 11.967 7.757 -2.291 1.00 4.39 C ATOM 422 CG GLU A 28 12.834 6.510 -2.013 1.00 5.13 C ATOM 423 CD GLU A 28 13.901 6.682 -0.925 1.00 6.48 C ATOM 424 OE1 GLU A 28 14.405 7.812 -0.760 1.00 7.34 O ATOM 425 OE2 GLU A 28 14.223 5.650 -0.291 1.00 6.98 O ATOM 0 H GLU A 28 9.638 6.019 -0.921 1.00 2.07 H new ATOM 0 HA GLU A 28 10.314 8.712 -1.624 1.00 2.72 H new ATOM 0 HB2 GLU A 28 12.005 7.970 -3.359 1.00 4.39 H new ATOM 0 HB3 GLU A 28 12.417 8.608 -1.780 1.00 4.39 H new ATOM 0 HG2 GLU A 28 12.178 5.688 -1.728 1.00 5.13 H new ATOM 0 HG3 GLU A 28 13.328 6.217 -2.940 1.00 5.13 H new ATOM 432 N GLU A 29 9.863 6.724 -3.972 1.00 1.48 N ATOM 433 CA GLU A 29 9.091 5.891 -4.888 1.00 1.94 C ATOM 434 C GLU A 29 7.722 6.469 -5.280 1.00 1.49 C ATOM 435 O GLU A 29 6.781 5.738 -5.577 1.00 2.04 O ATOM 436 CB GLU A 29 9.034 4.469 -4.297 1.00 3.24 C ATOM 437 CG GLU A 29 10.192 3.571 -4.770 1.00 4.01 C ATOM 438 CD GLU A 29 11.571 4.025 -4.303 1.00 4.27 C ATOM 439 OE1 GLU A 29 11.937 5.176 -4.614 1.00 4.54 O ATOM 440 OE2 GLU A 29 12.241 3.205 -3.633 1.00 4.86 O ATOM 0 H GLU A 29 10.840 6.793 -4.257 1.00 1.48 H new ATOM 0 HA GLU A 29 9.599 5.860 -5.852 1.00 1.94 H new ATOM 0 HB2 GLU A 29 9.053 4.533 -3.209 1.00 3.24 H new ATOM 0 HB3 GLU A 29 8.087 4.005 -4.572 1.00 3.24 H new ATOM 0 HG2 GLU A 29 10.017 2.556 -4.414 1.00 4.01 H new ATOM 0 HG3 GLU A 29 10.185 3.533 -5.859 1.00 4.01 H new ATOM 447 N GLY A 30 7.616 7.796 -5.330 1.00 0.96 N ATOM 448 CA GLY A 30 6.386 8.484 -5.662 1.00 0.73 C ATOM 449 C GLY A 30 5.237 8.181 -4.698 1.00 0.63 C ATOM 450 O GLY A 30 4.084 8.270 -5.114 1.00 0.79 O ATOM 0 H GLY A 30 8.396 8.424 -5.137 1.00 0.96 H new ATOM 0 HA2 GLY A 30 6.570 9.558 -5.668 1.00 0.73 H new ATOM 0 HA3 GLY A 30 6.085 8.206 -6.672 1.00 0.73 H new ATOM 454 N ILE A 31 5.514 7.912 -3.415 1.00 0.63 N ATOM 455 CA ILE A 31 4.467 7.838 -2.398 1.00 0.57 C ATOM 456 C ILE A 31 4.089 9.271 -2.021 1.00 0.57 C ATOM 457 O ILE A 31 4.968 10.111 -1.838 1.00 0.89 O ATOM 458 CB ILE A 31 4.977 7.154 -1.108 1.00 0.92 C ATOM 459 CG1 ILE A 31 5.284 5.665 -1.210 1.00 1.43 C ATOM 460 CG2 ILE A 31 3.913 7.201 0.012 1.00 1.31 C ATOM 461 CD1 ILE A 31 6.311 5.161 -2.211 1.00 2.53 C ATOM 0 H ILE A 31 6.455 7.743 -3.061 1.00 0.63 H new ATOM 0 HA ILE A 31 3.631 7.267 -2.801 1.00 0.57 H new ATOM 0 HB ILE A 31 5.889 7.717 -0.911 1.00 0.92 H new ATOM 0 HG12 ILE A 31 5.606 5.333 -0.223 1.00 1.43 H new ATOM 0 HG13 ILE A 31 4.345 5.156 -1.427 1.00 1.43 H new ATOM 0 HG21 ILE A 31 4.303 6.712 0.905 1.00 1.31 H new ATOM 0 HG22 ILE A 31 3.673 8.239 0.242 1.00 1.31 H new ATOM 0 HG23 ILE A 31 3.012 6.685 -0.320 1.00 1.31 H new ATOM 0 HD11 ILE A 31 6.391 4.077 -2.135 1.00 2.53 H new ATOM 0 HD12 ILE A 31 5.999 5.432 -3.220 1.00 2.53 H new ATOM 0 HD13 ILE A 31 7.280 5.612 -1.997 1.00 2.53 H new ATOM 473 N TYR A 32 2.793 9.544 -1.836 1.00 0.63 N ATOM 474 CA TYR A 32 2.388 10.703 -1.046 1.00 0.94 C ATOM 475 C TYR A 32 1.065 10.467 -0.302 1.00 1.06 C ATOM 476 O TYR A 32 0.313 11.403 -0.039 1.00 1.24 O ATOM 477 CB TYR A 32 2.189 11.816 -2.084 1.00 1.28 C ATOM 478 CG TYR A 32 2.404 13.234 -1.606 1.00 1.98 C ATOM 479 CD1 TYR A 32 3.706 13.766 -1.619 1.00 2.17 C ATOM 480 CD2 TYR A 32 1.304 14.083 -1.390 1.00 3.87 C ATOM 481 CE1 TYR A 32 3.904 15.146 -1.463 1.00 3.54 C ATOM 482 CE2 TYR A 32 1.504 15.462 -1.218 1.00 5.34 C ATOM 483 CZ TYR A 32 2.801 15.996 -1.262 1.00 5.04 C ATOM 484 OH TYR A 32 2.982 17.340 -1.139 1.00 6.59 O ATOM 0 H TYR A 32 2.025 8.990 -2.214 1.00 0.63 H new ATOM 0 HA TYR A 32 3.131 10.935 -0.283 1.00 0.94 H new ATOM 0 HB2 TYR A 32 2.868 11.631 -2.917 1.00 1.28 H new ATOM 0 HB3 TYR A 32 1.175 11.739 -2.476 1.00 1.28 H new ATOM 0 HD1 TYR A 32 4.555 13.111 -1.749 1.00 2.17 H new ATOM 0 HD2 TYR A 32 0.305 13.674 -1.356 1.00 3.87 H new ATOM 0 HE1 TYR A 32 4.903 15.556 -1.497 1.00 3.54 H new ATOM 0 HE2 TYR A 32 0.658 16.113 -1.052 1.00 5.34 H new ATOM 0 HH TYR A 32 2.114 17.776 -1.007 1.00 6.59 H new ATOM 494 N SER A 33 0.847 9.242 0.177 1.00 0.99 N ATOM 495 CA SER A 33 0.255 8.819 1.440 1.00 1.11 C ATOM 496 C SER A 33 0.535 7.322 1.505 1.00 1.11 C ATOM 497 O SER A 33 0.423 6.671 0.464 1.00 1.30 O ATOM 498 CB SER A 33 -1.254 9.086 1.522 1.00 1.25 C ATOM 499 OG SER A 33 -1.761 8.726 2.796 1.00 1.99 O ATOM 0 H SER A 33 1.114 8.430 -0.379 1.00 0.99 H new ATOM 0 HA SER A 33 0.680 9.379 2.273 1.00 1.11 H new ATOM 0 HB2 SER A 33 -1.452 10.141 1.332 1.00 1.25 H new ATOM 0 HB3 SER A 33 -1.771 8.520 0.747 1.00 1.25 H new ATOM 0 HG SER A 33 -2.724 8.906 2.828 1.00 1.99 H new ATOM 505 N ILE A 34 0.816 6.753 2.678 1.00 1.04 N ATOM 506 CA ILE A 34 0.922 5.309 2.784 1.00 0.95 C ATOM 507 C ILE A 34 -0.478 4.715 2.922 1.00 1.45 C ATOM 508 O ILE A 34 -1.381 5.327 3.495 1.00 1.95 O ATOM 509 CB ILE A 34 1.882 4.897 3.918 1.00 0.98 C ATOM 510 CG1 ILE A 34 1.498 5.407 5.320 1.00 1.58 C ATOM 511 CG2 ILE A 34 3.285 5.397 3.568 1.00 1.16 C ATOM 512 CD1 ILE A 34 0.606 4.413 6.061 1.00 1.88 C ATOM 0 H ILE A 34 0.970 7.263 3.548 1.00 1.04 H new ATOM 0 HA ILE A 34 1.365 4.901 1.876 1.00 0.95 H new ATOM 0 HB ILE A 34 1.829 3.810 3.982 1.00 0.98 H new ATOM 0 HG12 ILE A 34 2.402 5.587 5.901 1.00 1.58 H new ATOM 0 HG13 ILE A 34 0.981 6.362 5.230 1.00 1.58 H new ATOM 0 HG21 ILE A 34 3.980 5.115 4.359 1.00 1.16 H new ATOM 0 HG22 ILE A 34 3.606 4.950 2.627 1.00 1.16 H new ATOM 0 HG23 ILE A 34 3.270 6.482 3.468 1.00 1.16 H new ATOM 0 HD11 ILE A 34 0.358 4.810 7.045 1.00 1.88 H new ATOM 0 HD12 ILE A 34 -0.310 4.253 5.493 1.00 1.88 H new ATOM 0 HD13 ILE A 34 1.133 3.466 6.174 1.00 1.88 H new ATOM 524 N LEU A 35 -0.649 3.516 2.373 1.00 1.53 N ATOM 525 CA LEU A 35 -1.874 2.759 2.369 1.00 2.08 C ATOM 526 C LEU A 35 -2.095 2.059 3.694 1.00 1.35 C ATOM 527 O LEU A 35 -1.906 0.849 3.796 1.00 1.45 O ATOM 528 CB LEU A 35 -1.821 1.689 1.267 1.00 3.09 C ATOM 529 CG LEU A 35 -0.504 0.891 1.257 1.00 3.80 C ATOM 530 CD1 LEU A 35 -0.637 -0.636 1.244 1.00 4.32 C ATOM 531 CD2 LEU A 35 0.277 1.290 -0.005 1.00 4.62 C ATOM 0 H LEU A 35 0.110 3.030 1.896 1.00 1.53 H new ATOM 0 HA LEU A 35 -2.691 3.458 2.192 1.00 2.08 H new ATOM 0 HB2 LEU A 35 -2.655 0.999 1.399 1.00 3.09 H new ATOM 0 HB3 LEU A 35 -1.955 2.169 0.297 1.00 3.09 H new ATOM 0 HG LEU A 35 -0.009 1.140 2.196 1.00 3.80 H new ATOM 0 HD11 LEU A 35 0.355 -1.088 1.238 1.00 4.32 H new ATOM 0 HD12 LEU A 35 -1.178 -0.962 2.132 1.00 4.32 H new ATOM 0 HD13 LEU A 35 -1.182 -0.946 0.353 1.00 4.32 H new ATOM 0 HD21 LEU A 35 1.217 0.740 -0.040 1.00 4.62 H new ATOM 0 HD22 LEU A 35 -0.315 1.054 -0.889 1.00 4.62 H new ATOM 0 HD23 LEU A 35 0.483 2.360 0.018 1.00 4.62 H new ATOM 543 N VAL A 36 -2.591 2.785 4.688 1.00 1.00 N ATOM 544 CA VAL A 36 -3.173 2.138 5.831 1.00 0.63 C ATOM 545 C VAL A 36 -4.525 2.751 6.116 1.00 0.79 C ATOM 546 O VAL A 36 -4.700 3.966 6.076 1.00 1.59 O ATOM 547 CB VAL A 36 -2.226 2.200 7.027 1.00 0.92 C ATOM 548 CG1 VAL A 36 -2.956 1.611 8.228 1.00 1.06 C ATOM 549 CG2 VAL A 36 -1.010 1.346 6.675 1.00 1.14 C ATOM 0 H VAL A 36 -2.597 3.805 4.717 1.00 1.00 H new ATOM 0 HA VAL A 36 -3.328 1.079 5.623 1.00 0.63 H new ATOM 0 HB VAL A 36 -1.913 3.218 7.260 1.00 0.92 H new ATOM 0 HG11 VAL A 36 -2.304 1.641 9.101 1.00 1.06 H new ATOM 0 HG12 VAL A 36 -3.856 2.192 8.427 1.00 1.06 H new ATOM 0 HG13 VAL A 36 -3.231 0.578 8.016 1.00 1.06 H new ATOM 0 HG21 VAL A 36 -0.303 1.361 7.504 1.00 1.14 H new ATOM 0 HG22 VAL A 36 -1.328 0.320 6.487 1.00 1.14 H new ATOM 0 HG23 VAL A 36 -0.530 1.747 5.782 1.00 1.14 H new ATOM 559 N ALA A 37 -5.453 1.863 6.448 1.00 0.58 N ATOM 560 CA ALA A 37 -6.723 2.218 7.061 1.00 0.65 C ATOM 561 C ALA A 37 -7.194 1.011 7.863 1.00 0.74 C ATOM 562 O ALA A 37 -8.286 0.478 7.675 1.00 0.84 O ATOM 563 CB ALA A 37 -7.715 2.675 5.990 1.00 0.65 C ATOM 0 H ALA A 37 -5.341 0.861 6.296 1.00 0.58 H new ATOM 0 HA ALA A 37 -6.626 3.063 7.743 1.00 0.65 H new ATOM 0 HB1 ALA A 37 -8.662 2.938 6.460 1.00 0.65 H new ATOM 0 HB2 ALA A 37 -7.314 3.545 5.470 1.00 0.65 H new ATOM 0 HB3 ALA A 37 -7.877 1.868 5.276 1.00 0.65 H new ATOM 569 N LEU A 38 -6.338 0.585 8.791 1.00 0.82 N ATOM 570 CA LEU A 38 -6.511 -0.635 9.563 1.00 0.92 C ATOM 571 C LEU A 38 -7.617 -0.487 10.612 1.00 1.23 C ATOM 572 O LEU A 38 -8.175 -1.476 11.073 1.00 1.61 O ATOM 573 CB LEU A 38 -5.134 -1.057 10.086 1.00 1.00 C ATOM 574 CG LEU A 38 -5.024 -2.413 10.792 1.00 1.82 C ATOM 575 CD1 LEU A 38 -5.241 -2.320 12.309 1.00 2.52 C ATOM 576 CD2 LEU A 38 -5.858 -3.533 10.162 1.00 3.09 C ATOM 0 H LEU A 38 -5.487 1.094 9.029 1.00 0.82 H new ATOM 0 HA LEU A 38 -6.878 -1.456 8.947 1.00 0.92 H new ATOM 0 HB2 LEU A 38 -4.442 -1.061 9.244 1.00 1.00 H new ATOM 0 HB3 LEU A 38 -4.789 -0.289 10.779 1.00 1.00 H new ATOM 0 HG LEU A 38 -3.986 -2.706 10.633 1.00 1.82 H new ATOM 0 HD11 LEU A 38 -5.151 -3.312 12.751 1.00 2.52 H new ATOM 0 HD12 LEU A 38 -4.491 -1.659 12.744 1.00 2.52 H new ATOM 0 HD13 LEU A 38 -6.236 -1.922 12.511 1.00 2.52 H new ATOM 0 HD21 LEU A 38 -5.717 -4.454 10.728 1.00 3.09 H new ATOM 0 HD22 LEU A 38 -6.912 -3.255 10.178 1.00 3.09 H new ATOM 0 HD23 LEU A 38 -5.539 -3.688 9.131 1.00 3.09 H new ATOM 588 N MET A 39 -8.032 0.751 10.907 1.00 1.28 N ATOM 589 CA MET A 39 -9.294 1.000 11.594 1.00 1.49 C ATOM 590 C MET A 39 -10.444 0.232 10.923 1.00 1.34 C ATOM 591 O MET A 39 -11.343 -0.247 11.607 1.00 1.66 O ATOM 592 CB MET A 39 -9.586 2.506 11.620 1.00 1.64 C ATOM 593 CG MET A 39 -8.575 3.266 12.491 1.00 2.56 C ATOM 594 SD MET A 39 -8.795 5.065 12.564 1.00 3.10 S ATOM 595 CE MET A 39 -10.414 5.189 13.356 1.00 3.59 C ATOM 0 H MET A 39 -7.507 1.595 10.678 1.00 1.28 H new ATOM 0 HA MET A 39 -9.210 0.642 12.620 1.00 1.49 H new ATOM 0 HB2 MET A 39 -9.559 2.899 10.604 1.00 1.64 H new ATOM 0 HB3 MET A 39 -10.593 2.675 12.000 1.00 1.64 H new ATOM 0 HG2 MET A 39 -8.628 2.871 13.505 1.00 2.56 H new ATOM 0 HG3 MET A 39 -7.572 3.056 12.119 1.00 2.56 H new ATOM 0 HE1 MET A 39 -10.607 6.226 13.629 1.00 3.59 H new ATOM 0 HE2 MET A 39 -11.184 4.847 12.665 1.00 3.59 H new ATOM 0 HE3 MET A 39 -10.429 4.569 14.252 1.00 3.59 H new ATOM 605 N ALA A 40 -10.405 0.112 9.588 1.00 1.11 N ATOM 606 CA ALA A 40 -11.305 -0.750 8.834 1.00 1.15 C ATOM 607 C ALA A 40 -10.648 -2.107 8.566 1.00 1.33 C ATOM 608 O ALA A 40 -11.286 -3.142 8.731 1.00 1.94 O ATOM 609 CB ALA A 40 -11.687 -0.054 7.527 1.00 1.10 C ATOM 0 H ALA A 40 -9.740 0.618 9.003 1.00 1.11 H new ATOM 0 HA ALA A 40 -12.209 -0.932 9.415 1.00 1.15 H new ATOM 0 HB1 ALA A 40 -12.361 -0.694 6.957 1.00 1.10 H new ATOM 0 HB2 ALA A 40 -12.185 0.890 7.749 1.00 1.10 H new ATOM 0 HB3 ALA A 40 -10.788 0.139 6.941 1.00 1.10 H new ATOM 615 N GLY A 41 -9.388 -2.097 8.113 1.00 0.97 N ATOM 616 CA GLY A 41 -8.665 -3.268 7.647 1.00 0.98 C ATOM 617 C GLY A 41 -8.466 -3.125 6.148 1.00 0.81 C ATOM 618 O GLY A 41 -9.040 -3.894 5.384 1.00 0.98 O ATOM 0 H GLY A 41 -8.834 -1.242 8.063 1.00 0.97 H new ATOM 0 HA2 GLY A 41 -7.703 -3.350 8.154 1.00 0.98 H new ATOM 0 HA3 GLY A 41 -9.223 -4.177 7.873 1.00 0.98 H new ATOM 622 N LYS A 42 -7.719 -2.106 5.701 1.00 0.63 N ATOM 623 CA LYS A 42 -7.519 -1.900 4.285 1.00 0.64 C ATOM 624 C LYS A 42 -6.297 -1.018 4.093 1.00 0.47 C ATOM 625 O LYS A 42 -5.706 -0.531 5.062 1.00 0.43 O ATOM 626 CB LYS A 42 -8.778 -1.350 3.587 1.00 0.89 C ATOM 627 CG LYS A 42 -9.595 -0.357 4.421 1.00 1.46 C ATOM 628 CD LYS A 42 -10.142 0.759 3.522 1.00 2.05 C ATOM 629 CE LYS A 42 -11.080 1.688 4.305 1.00 3.18 C ATOM 630 NZ LYS A 42 -11.380 2.920 3.549 1.00 4.37 N ATOM 0 H LYS A 42 -7.254 -1.426 6.302 1.00 0.63 H new ATOM 0 HA LYS A 42 -7.337 -2.860 3.801 1.00 0.64 H new ATOM 0 HB2 LYS A 42 -8.478 -0.863 2.659 1.00 0.89 H new ATOM 0 HB3 LYS A 42 -9.420 -2.188 3.314 1.00 0.89 H new ATOM 0 HG2 LYS A 42 -10.418 -0.874 4.914 1.00 1.46 H new ATOM 0 HG3 LYS A 42 -8.971 0.070 5.206 1.00 1.46 H new ATOM 0 HD2 LYS A 42 -9.315 1.336 3.109 1.00 2.05 H new ATOM 0 HD3 LYS A 42 -10.678 0.322 2.679 1.00 2.05 H new ATOM 0 HE2 LYS A 42 -12.009 1.163 4.530 1.00 3.18 H new ATOM 0 HE3 LYS A 42 -10.622 1.948 5.259 1.00 3.18 H new ATOM 0 HZ1 LYS A 42 -12.218 3.382 3.956 1.00 4.37 H new ATOM 0 HZ2 LYS A 42 -10.568 3.567 3.603 1.00 4.37 H new ATOM 0 HZ3 LYS A 42 -11.566 2.680 2.554 1.00 4.37 H new ATOM 644 N ALA A 43 -5.957 -0.838 2.824 1.00 0.88 N ATOM 645 CA ALA A 43 -4.821 -0.129 2.304 1.00 0.88 C ATOM 646 C ALA A 43 -5.349 0.955 1.359 1.00 0.88 C ATOM 647 O ALA A 43 -6.112 0.651 0.447 1.00 0.94 O ATOM 648 CB ALA A 43 -3.968 -1.182 1.579 1.00 1.14 C ATOM 0 H ALA A 43 -6.529 -1.224 2.073 1.00 0.88 H new ATOM 0 HA ALA A 43 -4.214 0.364 3.064 1.00 0.88 H new ATOM 0 HB1 ALA A 43 -3.083 -0.706 1.158 1.00 1.14 H new ATOM 0 HB2 ALA A 43 -3.663 -1.953 2.286 1.00 1.14 H new ATOM 0 HB3 ALA A 43 -4.552 -1.635 0.778 1.00 1.14 H new ATOM 654 N GLU A 44 -4.979 2.222 1.563 1.00 0.90 N ATOM 655 CA GLU A 44 -5.357 3.296 0.654 1.00 0.99 C ATOM 656 C GLU A 44 -4.236 4.304 0.421 1.00 1.00 C ATOM 657 O GLU A 44 -4.073 5.278 1.153 1.00 1.74 O ATOM 658 CB GLU A 44 -6.653 3.954 1.104 1.00 1.40 C ATOM 659 CG GLU A 44 -6.794 4.265 2.598 1.00 1.31 C ATOM 660 CD GLU A 44 -8.165 4.868 2.858 1.00 1.87 C ATOM 661 OE1 GLU A 44 -8.339 6.061 2.522 1.00 2.26 O ATOM 662 OE2 GLU A 44 -9.051 4.116 3.319 1.00 3.21 O ATOM 0 H GLU A 44 -4.414 2.526 2.356 1.00 0.90 H new ATOM 0 HA GLU A 44 -5.538 2.843 -0.321 1.00 0.99 H new ATOM 0 HB2 GLU A 44 -6.769 4.886 0.552 1.00 1.40 H new ATOM 0 HB3 GLU A 44 -7.480 3.306 0.813 1.00 1.40 H new ATOM 0 HG2 GLU A 44 -6.667 3.355 3.184 1.00 1.31 H new ATOM 0 HG3 GLU A 44 -6.014 4.958 2.912 1.00 1.31 H new ATOM 669 N VAL A 45 -3.461 4.062 -0.630 1.00 0.64 N ATOM 670 CA VAL A 45 -2.266 4.782 -0.965 1.00 0.59 C ATOM 671 C VAL A 45 -2.644 6.097 -1.635 1.00 0.60 C ATOM 672 O VAL A 45 -3.689 6.191 -2.282 1.00 0.76 O ATOM 673 CB VAL A 45 -1.489 3.879 -1.935 1.00 0.64 C ATOM 674 CG1 VAL A 45 -2.271 3.535 -3.212 1.00 1.16 C ATOM 675 CG2 VAL A 45 -0.113 4.452 -2.224 1.00 1.50 C ATOM 0 H VAL A 45 -3.671 3.319 -1.296 1.00 0.64 H new ATOM 0 HA VAL A 45 -1.664 5.019 -0.088 1.00 0.59 H new ATOM 0 HB VAL A 45 -1.349 2.922 -1.432 1.00 0.64 H new ATOM 0 HG11 VAL A 45 -1.662 2.895 -3.850 1.00 1.16 H new ATOM 0 HG12 VAL A 45 -3.190 3.013 -2.946 1.00 1.16 H new ATOM 0 HG13 VAL A 45 -2.516 4.453 -3.747 1.00 1.16 H new ATOM 0 HG21 VAL A 45 0.417 3.795 -2.913 1.00 1.50 H new ATOM 0 HG22 VAL A 45 -0.217 5.440 -2.673 1.00 1.50 H new ATOM 0 HG23 VAL A 45 0.450 4.533 -1.294 1.00 1.50 H new ATOM 685 N ARG A 46 -1.768 7.095 -1.518 1.00 0.55 N ATOM 686 CA ARG A 46 -1.757 8.221 -2.434 1.00 0.63 C ATOM 687 C ARG A 46 -0.366 8.267 -3.045 1.00 0.58 C ATOM 688 O ARG A 46 0.604 7.946 -2.362 1.00 0.70 O ATOM 689 CB ARG A 46 -2.178 9.510 -1.719 1.00 0.80 C ATOM 690 CG ARG A 46 -2.595 10.609 -2.695 1.00 1.24 C ATOM 691 CD ARG A 46 -2.927 11.905 -1.948 1.00 1.46 C ATOM 692 NE ARG A 46 -3.401 12.919 -2.899 1.00 2.88 N ATOM 693 CZ ARG A 46 -3.738 14.186 -2.628 1.00 3.77 C ATOM 694 NH1 ARG A 46 -3.739 14.634 -1.369 1.00 3.57 N ATOM 695 NH2 ARG A 46 -4.056 14.983 -3.652 1.00 5.38 N ATOM 0 H ARG A 46 -1.055 7.140 -0.790 1.00 0.55 H new ATOM 0 HA ARG A 46 -2.487 8.111 -3.236 1.00 0.63 H new ATOM 0 HB2 ARG A 46 -3.006 9.294 -1.044 1.00 0.80 H new ATOM 0 HB3 ARG A 46 -1.352 9.868 -1.105 1.00 0.80 H new ATOM 0 HG2 ARG A 46 -1.792 10.791 -3.409 1.00 1.24 H new ATOM 0 HG3 ARG A 46 -3.463 10.282 -3.268 1.00 1.24 H new ATOM 0 HD2 ARG A 46 -3.691 11.715 -1.194 1.00 1.46 H new ATOM 0 HD3 ARG A 46 -2.044 12.270 -1.423 1.00 1.46 H new ATOM 0 HE ARG A 46 -3.482 12.626 -3.873 1.00 2.88 H new ATOM 0 HH11 ARG A 46 -3.482 14.009 -0.605 1.00 3.57 H new ATOM 0 HH12 ARG A 46 -3.997 15.601 -1.172 1.00 3.57 H new ATOM 0 HH21 ARG A 46 -4.037 14.621 -4.605 1.00 5.38 H new ATOM 0 HH22 ARG A 46 -4.317 15.954 -3.481 1.00 5.38 H new ATOM 709 N TYR A 47 -0.272 8.576 -4.338 1.00 0.48 N ATOM 710 CA TYR A 47 0.939 8.367 -5.114 1.00 0.48 C ATOM 711 C TYR A 47 1.012 9.373 -6.255 1.00 0.45 C ATOM 712 O TYR A 47 -0.012 9.915 -6.673 1.00 0.46 O ATOM 713 CB TYR A 47 0.953 6.934 -5.671 1.00 0.64 C ATOM 714 CG TYR A 47 -0.312 6.563 -6.430 1.00 0.64 C ATOM 715 CD1 TYR A 47 -0.469 6.923 -7.780 1.00 2.03 C ATOM 716 CD2 TYR A 47 -1.410 6.047 -5.725 1.00 1.77 C ATOM 717 CE1 TYR A 47 -1.751 6.919 -8.362 1.00 2.28 C ATOM 718 CE2 TYR A 47 -2.675 5.974 -6.329 1.00 2.05 C ATOM 719 CZ TYR A 47 -2.863 6.492 -7.619 1.00 1.67 C ATOM 720 OH TYR A 47 -4.114 6.666 -8.131 1.00 2.51 O ATOM 0 H TYR A 47 -1.040 8.980 -4.874 1.00 0.48 H new ATOM 0 HA TYR A 47 1.806 8.510 -4.469 1.00 0.48 H new ATOM 0 HB2 TYR A 47 1.811 6.819 -6.333 1.00 0.64 H new ATOM 0 HB3 TYR A 47 1.091 6.234 -4.847 1.00 0.64 H new ATOM 0 HD1 TYR A 47 0.392 7.202 -8.369 1.00 2.03 H new ATOM 0 HD2 TYR A 47 -1.281 5.703 -4.709 1.00 1.77 H new ATOM 0 HE1 TYR A 47 -1.879 7.246 -9.383 1.00 2.28 H new ATOM 0 HE2 TYR A 47 -3.501 5.520 -5.802 1.00 2.05 H new ATOM 0 HH TYR A 47 -4.753 6.788 -7.398 1.00 2.51 H new ATOM 730 N ASN A 48 2.223 9.592 -6.771 1.00 0.67 N ATOM 731 CA ASN A 48 2.457 10.360 -7.995 1.00 0.89 C ATOM 732 C ASN A 48 2.632 9.413 -9.195 1.00 0.95 C ATOM 733 O ASN A 48 3.747 8.927 -9.414 1.00 1.06 O ATOM 734 CB ASN A 48 3.697 11.251 -7.828 1.00 1.11 C ATOM 735 CG ASN A 48 3.885 12.163 -9.042 1.00 1.49 C ATOM 736 OD1 ASN A 48 3.646 13.368 -8.989 1.00 2.94 O ATOM 737 ND2 ASN A 48 4.282 11.599 -10.174 1.00 1.92 N ATOM 0 H ASN A 48 3.079 9.237 -6.345 1.00 0.67 H new ATOM 0 HA ASN A 48 1.592 10.996 -8.182 1.00 0.89 H new ATOM 0 HB2 ASN A 48 3.596 11.856 -6.927 1.00 1.11 H new ATOM 0 HB3 ASN A 48 4.582 10.628 -7.696 1.00 1.11 H new ATOM 0 HD21 ASN A 48 4.393 12.166 -11.015 1.00 1.92 H new ATOM 0 HD22 ASN A 48 4.477 10.598 -10.204 1.00 1.92 H new ATOM 744 N PRO A 49 1.598 9.173 -10.022 1.00 1.05 N ATOM 745 CA PRO A 49 1.678 8.233 -11.132 1.00 1.17 C ATOM 746 C PRO A 49 2.483 8.819 -12.298 1.00 1.39 C ATOM 747 O PRO A 49 1.929 9.229 -13.315 1.00 1.95 O ATOM 748 CB PRO A 49 0.228 7.943 -11.517 1.00 1.24 C ATOM 749 CG PRO A 49 -0.472 9.268 -11.207 1.00 1.34 C ATOM 750 CD PRO A 49 0.272 9.771 -9.966 1.00 1.21 C ATOM 0 HA PRO A 49 2.202 7.317 -10.858 1.00 1.17 H new ATOM 0 HB2 PRO A 49 0.134 7.672 -12.569 1.00 1.24 H new ATOM 0 HB3 PRO A 49 -0.188 7.119 -10.937 1.00 1.24 H new ATOM 0 HG2 PRO A 49 -0.392 9.970 -12.037 1.00 1.34 H new ATOM 0 HG3 PRO A 49 -1.535 9.126 -11.010 1.00 1.34 H new ATOM 0 HD2 PRO A 49 0.335 10.859 -9.963 1.00 1.21 H new ATOM 0 HD3 PRO A 49 -0.249 9.480 -9.054 1.00 1.21 H new ATOM 758 N ALA A 50 3.805 8.839 -12.142 1.00 1.21 N ATOM 759 CA ALA A 50 4.771 9.150 -13.189 1.00 1.33 C ATOM 760 C ALA A 50 6.133 8.587 -12.789 1.00 1.37 C ATOM 761 O ALA A 50 6.819 7.977 -13.601 1.00 1.60 O ATOM 762 CB ALA A 50 4.856 10.659 -13.417 1.00 1.40 C ATOM 0 H ALA A 50 4.248 8.631 -11.247 1.00 1.21 H new ATOM 0 HA ALA A 50 4.450 8.693 -14.125 1.00 1.33 H new ATOM 0 HB1 ALA A 50 5.583 10.868 -14.202 1.00 1.40 H new ATOM 0 HB2 ALA A 50 3.879 11.037 -13.717 1.00 1.40 H new ATOM 0 HB3 ALA A 50 5.167 11.149 -12.495 1.00 1.40 H new ATOM 768 N VAL A 51 6.503 8.777 -11.515 1.00 1.24 N ATOM 769 CA VAL A 51 7.638 8.139 -10.890 1.00 1.21 C ATOM 770 C VAL A 51 7.547 6.634 -11.109 1.00 1.19 C ATOM 771 O VAL A 51 8.486 6.004 -11.588 1.00 1.45 O ATOM 772 CB VAL A 51 7.583 8.430 -9.379 1.00 1.01 C ATOM 773 CG1 VAL A 51 8.853 7.886 -8.729 1.00 1.11 C ATOM 774 CG2 VAL A 51 7.511 9.934 -9.070 1.00 1.41 C ATOM 0 H VAL A 51 5.997 9.399 -10.885 1.00 1.24 H new ATOM 0 HA VAL A 51 8.568 8.516 -11.317 1.00 1.21 H new ATOM 0 HB VAL A 51 6.683 7.955 -8.990 1.00 1.01 H new ATOM 0 HG11 VAL A 51 8.828 8.085 -7.658 1.00 1.11 H new ATOM 0 HG12 VAL A 51 8.916 6.811 -8.897 1.00 1.11 H new ATOM 0 HG13 VAL A 51 9.724 8.373 -9.168 1.00 1.11 H new ATOM 0 HG21 VAL A 51 7.474 10.082 -7.991 1.00 1.41 H new ATOM 0 HG22 VAL A 51 8.392 10.431 -9.475 1.00 1.41 H new ATOM 0 HG23 VAL A 51 6.615 10.356 -9.525 1.00 1.41 H new ATOM 784 N ILE A 52 6.418 6.076 -10.669 1.00 1.05 N ATOM 785 CA ILE A 52 6.223 4.656 -10.532 1.00 1.17 C ATOM 786 C ILE A 52 4.982 4.250 -11.326 1.00 1.25 C ATOM 787 O ILE A 52 4.877 4.564 -12.508 1.00 2.67 O ATOM 788 CB ILE A 52 6.243 4.336 -9.023 1.00 1.41 C ATOM 789 CG1 ILE A 52 6.359 2.829 -8.736 1.00 1.72 C ATOM 790 CG2 ILE A 52 5.156 5.067 -8.203 1.00 1.49 C ATOM 791 CD1 ILE A 52 7.106 2.619 -7.419 1.00 1.90 C ATOM 0 H ILE A 52 5.602 6.624 -10.395 1.00 1.05 H new ATOM 0 HA ILE A 52 7.014 4.044 -10.965 1.00 1.17 H new ATOM 0 HB ILE A 52 7.170 4.768 -8.646 1.00 1.41 H new ATOM 0 HG12 ILE A 52 5.367 2.381 -8.680 1.00 1.72 H new ATOM 0 HG13 ILE A 52 6.887 2.332 -9.550 1.00 1.72 H new ATOM 0 HG21 ILE A 52 5.241 4.786 -7.153 1.00 1.49 H new ATOM 0 HG22 ILE A 52 5.289 6.144 -8.302 1.00 1.49 H new ATOM 0 HG23 ILE A 52 4.170 4.787 -8.575 1.00 1.49 H new ATOM 0 HD11 ILE A 52 7.189 1.552 -7.214 1.00 1.90 H new ATOM 0 HD12 ILE A 52 8.103 3.053 -7.493 1.00 1.90 H new ATOM 0 HD13 ILE A 52 6.559 3.102 -6.609 1.00 1.90 H new ATOM 803 N GLN A 53 4.051 3.532 -10.704 1.00 0.84 N ATOM 804 CA GLN A 53 3.067 2.724 -11.409 1.00 0.88 C ATOM 805 C GLN A 53 2.084 2.136 -10.381 1.00 0.83 C ATOM 806 O GLN A 53 2.489 1.313 -9.564 1.00 0.78 O ATOM 807 CB GLN A 53 3.806 1.614 -12.193 1.00 1.27 C ATOM 808 CG GLN A 53 3.199 1.208 -13.537 1.00 1.74 C ATOM 809 CD GLN A 53 3.188 2.346 -14.545 1.00 1.71 C ATOM 810 OE1 GLN A 53 4.167 2.587 -15.241 1.00 2.30 O ATOM 811 NE2 GLN A 53 2.057 3.037 -14.647 1.00 2.34 N ATOM 0 H GLN A 53 3.960 3.496 -9.689 1.00 0.84 H new ATOM 0 HA GLN A 53 2.499 3.324 -12.120 1.00 0.88 H new ATOM 0 HB2 GLN A 53 4.830 1.943 -12.367 1.00 1.27 H new ATOM 0 HB3 GLN A 53 3.859 0.728 -11.561 1.00 1.27 H new ATOM 0 HG2 GLN A 53 3.763 0.370 -13.947 1.00 1.74 H new ATOM 0 HG3 GLN A 53 2.179 0.858 -13.379 1.00 1.74 H new ATOM 0 HE21 GLN A 53 1.263 2.807 -14.050 1.00 2.34 H new ATOM 0 HE22 GLN A 53 1.983 3.798 -15.323 1.00 2.34 H new ATOM 820 N PRO A 54 0.804 2.542 -10.378 1.00 1.00 N ATOM 821 CA PRO A 54 -0.238 2.004 -9.506 1.00 1.14 C ATOM 822 C PRO A 54 -0.339 0.473 -9.411 1.00 1.06 C ATOM 823 O PRO A 54 -0.470 -0.027 -8.295 1.00 1.11 O ATOM 824 CB PRO A 54 -1.534 2.695 -9.927 1.00 1.46 C ATOM 825 CG PRO A 54 -0.974 4.064 -10.303 1.00 1.56 C ATOM 826 CD PRO A 54 0.287 3.704 -11.077 1.00 1.25 C ATOM 0 HA PRO A 54 0.019 2.228 -8.471 1.00 1.14 H new ATOM 0 HB2 PRO A 54 -2.022 2.197 -10.765 1.00 1.46 H new ATOM 0 HB3 PRO A 54 -2.263 2.748 -9.119 1.00 1.46 H new ATOM 0 HG2 PRO A 54 -1.674 4.635 -10.912 1.00 1.56 H new ATOM 0 HG3 PRO A 54 -0.751 4.667 -9.423 1.00 1.56 H new ATOM 0 HD2 PRO A 54 0.065 3.477 -12.120 1.00 1.25 H new ATOM 0 HD3 PRO A 54 1.005 4.524 -11.075 1.00 1.25 H new ATOM 834 N PRO A 55 -0.273 -0.300 -10.511 1.00 1.05 N ATOM 835 CA PRO A 55 -0.105 -1.730 -10.393 1.00 1.12 C ATOM 836 C PRO A 55 1.125 -2.035 -9.540 1.00 1.03 C ATOM 837 O PRO A 55 0.994 -2.678 -8.501 1.00 1.24 O ATOM 838 CB PRO A 55 0.015 -2.276 -11.814 1.00 1.21 C ATOM 839 CG PRO A 55 0.009 -1.101 -12.767 1.00 1.11 C ATOM 840 CD PRO A 55 -0.346 0.098 -11.905 1.00 1.06 C ATOM 0 HA PRO A 55 -0.949 -2.206 -9.894 1.00 1.12 H new ATOM 0 HB2 PRO A 55 0.934 -2.852 -11.925 1.00 1.21 H new ATOM 0 HB3 PRO A 55 -0.813 -2.950 -12.035 1.00 1.21 H new ATOM 0 HG2 PRO A 55 0.982 -0.972 -13.242 1.00 1.11 H new ATOM 0 HG3 PRO A 55 -0.719 -1.243 -13.565 1.00 1.11 H new ATOM 0 HD2 PRO A 55 0.341 0.922 -12.100 1.00 1.06 H new ATOM 0 HD3 PRO A 55 -1.348 0.454 -12.145 1.00 1.06 H new ATOM 848 N MET A 56 2.298 -1.521 -9.940 1.00 0.84 N ATOM 849 CA MET A 56 3.543 -1.840 -9.242 1.00 0.88 C ATOM 850 C MET A 56 3.455 -1.561 -7.740 1.00 0.83 C ATOM 851 O MET A 56 3.849 -2.417 -6.949 1.00 0.94 O ATOM 852 CB MET A 56 4.775 -1.156 -9.842 1.00 0.97 C ATOM 853 CG MET A 56 5.069 -1.663 -11.260 1.00 1.13 C ATOM 854 SD MET A 56 6.401 -0.803 -12.140 1.00 1.28 S ATOM 855 CE MET A 56 7.799 -1.091 -11.030 1.00 2.58 C ATOM 0 H MET A 56 2.406 -0.890 -10.734 1.00 0.84 H new ATOM 0 HA MET A 56 3.675 -2.913 -9.385 1.00 0.88 H new ATOM 0 HB2 MET A 56 4.617 -0.078 -9.866 1.00 0.97 H new ATOM 0 HB3 MET A 56 5.640 -1.338 -9.204 1.00 0.97 H new ATOM 0 HG2 MET A 56 5.320 -2.722 -11.203 1.00 1.13 H new ATOM 0 HG3 MET A 56 4.157 -1.583 -11.851 1.00 1.13 H new ATOM 0 HE1 MET A 56 8.717 -0.745 -11.504 1.00 2.58 H new ATOM 0 HE2 MET A 56 7.643 -0.545 -10.100 1.00 2.58 H new ATOM 0 HE3 MET A 56 7.880 -2.157 -10.816 1.00 2.58 H new ATOM 865 N ILE A 57 2.969 -0.381 -7.321 1.00 0.81 N ATOM 866 CA ILE A 57 2.933 -0.084 -5.894 1.00 0.96 C ATOM 867 C ILE A 57 2.068 -1.091 -5.123 1.00 1.05 C ATOM 868 O ILE A 57 2.477 -1.519 -4.046 1.00 1.19 O ATOM 869 CB ILE A 57 2.578 1.381 -5.589 1.00 1.25 C ATOM 870 CG1 ILE A 57 1.418 1.917 -6.419 1.00 1.88 C ATOM 871 CG2 ILE A 57 3.806 2.284 -5.753 1.00 2.99 C ATOM 872 CD1 ILE A 57 0.672 3.037 -5.697 1.00 1.85 C ATOM 0 H ILE A 57 2.610 0.354 -7.930 1.00 0.81 H new ATOM 0 HA ILE A 57 3.952 -0.207 -5.526 1.00 0.96 H new ATOM 0 HB ILE A 57 2.247 1.395 -4.550 1.00 1.25 H new ATOM 0 HG12 ILE A 57 1.794 2.287 -7.373 1.00 1.88 H new ATOM 0 HG13 ILE A 57 0.726 1.105 -6.643 1.00 1.88 H new ATOM 0 HG21 ILE A 57 3.531 3.315 -5.532 1.00 2.99 H new ATOM 0 HG22 ILE A 57 4.589 1.962 -5.066 1.00 2.99 H new ATOM 0 HG23 ILE A 57 4.172 2.217 -6.777 1.00 2.99 H new ATOM 0 HD11 ILE A 57 -0.147 3.391 -6.323 1.00 1.85 H new ATOM 0 HD12 ILE A 57 0.273 2.660 -4.755 1.00 1.85 H new ATOM 0 HD13 ILE A 57 1.357 3.860 -5.497 1.00 1.85 H new ATOM 884 N ALA A 58 0.904 -1.505 -5.646 1.00 1.12 N ATOM 885 CA ALA A 58 0.180 -2.611 -5.045 1.00 1.33 C ATOM 886 C ALA A 58 1.017 -3.895 -5.070 1.00 1.18 C ATOM 887 O ALA A 58 1.310 -4.479 -4.029 1.00 1.35 O ATOM 888 CB ALA A 58 -1.156 -2.794 -5.763 1.00 1.63 C ATOM 0 H ALA A 58 0.459 -1.094 -6.467 1.00 1.12 H new ATOM 0 HA ALA A 58 -0.018 -2.383 -3.998 1.00 1.33 H new ATOM 0 HB1 ALA A 58 -1.700 -3.624 -5.313 1.00 1.63 H new ATOM 0 HB2 ALA A 58 -1.746 -1.882 -5.673 1.00 1.63 H new ATOM 0 HB3 ALA A 58 -0.977 -3.007 -6.817 1.00 1.63 H new ATOM 894 N GLU A 59 1.385 -4.341 -6.271 1.00 1.10 N ATOM 895 CA GLU A 59 2.075 -5.575 -6.553 1.00 1.18 C ATOM 896 C GLU A 59 3.254 -5.806 -5.617 1.00 1.08 C ATOM 897 O GLU A 59 3.277 -6.830 -4.945 1.00 1.23 O ATOM 898 CB GLU A 59 2.461 -5.519 -8.026 1.00 1.36 C ATOM 899 CG GLU A 59 1.244 -5.913 -8.874 1.00 1.78 C ATOM 900 CD GLU A 59 1.165 -5.285 -10.255 1.00 2.38 C ATOM 901 OE1 GLU A 59 2.198 -4.787 -10.752 1.00 3.26 O ATOM 902 OE2 GLU A 59 0.030 -5.321 -10.780 1.00 3.45 O ATOM 0 H GLU A 59 1.191 -3.808 -7.119 1.00 1.10 H new ATOM 0 HA GLU A 59 1.435 -6.439 -6.371 1.00 1.18 H new ATOM 0 HB2 GLU A 59 2.796 -4.516 -8.290 1.00 1.36 H new ATOM 0 HB3 GLU A 59 3.293 -6.195 -8.224 1.00 1.36 H new ATOM 0 HG2 GLU A 59 1.241 -6.997 -8.989 1.00 1.78 H new ATOM 0 HG3 GLU A 59 0.341 -5.648 -8.324 1.00 1.78 H new ATOM 909 N PHE A 60 4.163 -4.837 -5.494 1.00 1.02 N ATOM 910 CA PHE A 60 5.341 -4.938 -4.641 1.00 1.21 C ATOM 911 C PHE A 60 5.031 -5.527 -3.260 1.00 1.27 C ATOM 912 O PHE A 60 5.804 -6.317 -2.719 1.00 1.51 O ATOM 913 CB PHE A 60 5.988 -3.550 -4.509 1.00 1.33 C ATOM 914 CG PHE A 60 7.497 -3.586 -4.578 1.00 2.04 C ATOM 915 CD1 PHE A 60 8.107 -4.027 -5.765 1.00 3.04 C ATOM 916 CD2 PHE A 60 8.289 -3.181 -3.489 1.00 3.15 C ATOM 917 CE1 PHE A 60 9.504 -4.090 -5.857 1.00 3.71 C ATOM 918 CE2 PHE A 60 9.690 -3.239 -3.584 1.00 3.96 C ATOM 919 CZ PHE A 60 10.299 -3.695 -4.767 1.00 3.82 C ATOM 0 H PHE A 60 4.098 -3.949 -5.992 1.00 1.02 H new ATOM 0 HA PHE A 60 6.036 -5.631 -5.115 1.00 1.21 H new ATOM 0 HB2 PHE A 60 5.610 -2.904 -5.301 1.00 1.33 H new ATOM 0 HB3 PHE A 60 5.685 -3.104 -3.562 1.00 1.33 H new ATOM 0 HD1 PHE A 60 7.498 -4.318 -6.608 1.00 3.04 H new ATOM 0 HD2 PHE A 60 7.822 -2.826 -2.582 1.00 3.15 H new ATOM 0 HE1 PHE A 60 9.970 -4.442 -6.766 1.00 3.71 H new ATOM 0 HE2 PHE A 60 10.300 -2.933 -2.747 1.00 3.96 H new ATOM 0 HZ PHE A 60 11.376 -3.742 -4.838 1.00 3.82 H new ATOM 929 N ILE A 61 3.891 -5.136 -2.681 1.00 1.15 N ATOM 930 CA ILE A 61 3.488 -5.579 -1.357 1.00 1.19 C ATOM 931 C ILE A 61 3.321 -7.105 -1.342 1.00 1.16 C ATOM 932 O ILE A 61 3.655 -7.744 -0.348 1.00 1.28 O ATOM 933 CB ILE A 61 2.203 -4.856 -0.925 1.00 1.23 C ATOM 934 CG1 ILE A 61 2.373 -3.324 -0.958 1.00 1.28 C ATOM 935 CG2 ILE A 61 1.799 -5.293 0.489 1.00 1.40 C ATOM 936 CD1 ILE A 61 1.017 -2.618 -1.008 1.00 1.46 C ATOM 0 H ILE A 61 3.226 -4.502 -3.124 1.00 1.15 H new ATOM 0 HA ILE A 61 4.265 -5.325 -0.636 1.00 1.19 H new ATOM 0 HB ILE A 61 1.421 -5.129 -1.634 1.00 1.23 H new ATOM 0 HG12 ILE A 61 2.924 -2.997 -0.076 1.00 1.28 H new ATOM 0 HG13 ILE A 61 2.966 -3.040 -1.827 1.00 1.28 H new ATOM 0 HG21 ILE A 61 0.887 -4.774 0.784 1.00 1.40 H new ATOM 0 HG22 ILE A 61 1.624 -6.369 0.501 1.00 1.40 H new ATOM 0 HG23 ILE A 61 2.598 -5.047 1.188 1.00 1.40 H new ATOM 0 HD11 ILE A 61 1.169 -1.539 -1.030 1.00 1.46 H new ATOM 0 HD12 ILE A 61 0.479 -2.927 -1.904 1.00 1.46 H new ATOM 0 HD13 ILE A 61 0.435 -2.884 -0.125 1.00 1.46 H new ATOM 948 N ARG A 62 2.812 -7.684 -2.432 1.00 1.06 N ATOM 949 CA ARG A 62 2.622 -9.119 -2.584 1.00 1.07 C ATOM 950 C ARG A 62 3.983 -9.810 -2.520 1.00 1.16 C ATOM 951 O ARG A 62 4.215 -10.563 -1.577 1.00 1.12 O ATOM 952 CB ARG A 62 1.864 -9.444 -3.882 1.00 1.02 C ATOM 953 CG ARG A 62 0.580 -8.624 -4.071 1.00 0.76 C ATOM 954 CD ARG A 62 -0.003 -8.853 -5.471 1.00 0.86 C ATOM 955 NE ARG A 62 -1.027 -7.839 -5.779 1.00 2.05 N ATOM 956 CZ ARG A 62 -1.316 -7.361 -6.998 1.00 2.85 C ATOM 957 NH1 ARG A 62 -0.877 -7.978 -8.098 1.00 2.55 N ATOM 958 NH2 ARG A 62 -2.044 -6.245 -7.091 1.00 4.33 N ATOM 0 H ARG A 62 2.515 -7.151 -3.250 1.00 1.06 H new ATOM 0 HA ARG A 62 2.004 -9.496 -1.769 1.00 1.07 H new ATOM 0 HB2 ARG A 62 2.524 -9.269 -4.731 1.00 1.02 H new ATOM 0 HB3 ARG A 62 1.611 -10.504 -3.889 1.00 1.02 H new ATOM 0 HG2 ARG A 62 -0.153 -8.906 -3.315 1.00 0.76 H new ATOM 0 HG3 ARG A 62 0.794 -7.565 -3.929 1.00 0.76 H new ATOM 0 HD2 ARG A 62 0.794 -8.810 -6.214 1.00 0.86 H new ATOM 0 HD3 ARG A 62 -0.441 -9.849 -5.530 1.00 0.86 H new ATOM 0 HE ARG A 62 -1.564 -7.468 -4.995 1.00 2.05 H new ATOM 0 HH11 ARG A 62 -0.314 -8.825 -8.018 1.00 2.55 H new ATOM 0 HH12 ARG A 62 -1.105 -7.603 -9.019 1.00 2.55 H new ATOM 0 HH21 ARG A 62 -2.368 -5.775 -6.245 1.00 4.33 H new ATOM 0 HH22 ARG A 62 -2.276 -5.863 -8.008 1.00 4.33 H new ATOM 972 N GLU A 63 4.896 -9.512 -3.457 1.00 1.38 N ATOM 973 CA GLU A 63 6.263 -9.983 -3.462 1.00 1.45 C ATOM 974 C GLU A 63 6.884 -9.999 -2.063 1.00 1.33 C ATOM 975 O GLU A 63 7.430 -11.019 -1.647 1.00 1.51 O ATOM 976 CB GLU A 63 7.066 -9.088 -4.409 1.00 1.61 C ATOM 977 CG GLU A 63 6.738 -9.297 -5.893 1.00 1.85 C ATOM 978 CD GLU A 63 5.465 -8.622 -6.374 1.00 3.20 C ATOM 979 OE1 GLU A 63 4.403 -9.233 -6.135 1.00 4.95 O ATOM 980 OE2 GLU A 63 5.574 -7.521 -6.952 1.00 3.15 O ATOM 0 H GLU A 63 4.681 -8.914 -4.255 1.00 1.38 H new ATOM 0 HA GLU A 63 6.280 -11.017 -3.805 1.00 1.45 H new ATOM 0 HB2 GLU A 63 6.882 -8.045 -4.150 1.00 1.61 H new ATOM 0 HB3 GLU A 63 8.129 -9.273 -4.253 1.00 1.61 H new ATOM 0 HG2 GLU A 63 7.573 -8.929 -6.489 1.00 1.85 H new ATOM 0 HG3 GLU A 63 6.658 -10.367 -6.084 1.00 1.85 H new ATOM 987 N LEU A 64 6.820 -8.878 -1.338 1.00 1.12 N ATOM 988 CA LEU A 64 7.445 -8.789 -0.027 1.00 1.14 C ATOM 989 C LEU A 64 6.587 -9.354 1.112 1.00 1.04 C ATOM 990 O LEU A 64 7.134 -9.626 2.179 1.00 1.09 O ATOM 991 CB LEU A 64 7.979 -7.382 0.222 1.00 1.43 C ATOM 992 CG LEU A 64 6.925 -6.276 0.296 1.00 1.43 C ATOM 993 CD1 LEU A 64 6.480 -5.992 1.734 1.00 2.35 C ATOM 994 CD2 LEU A 64 7.571 -5.026 -0.301 1.00 1.98 C ATOM 0 H LEU A 64 6.344 -8.028 -1.639 1.00 1.12 H new ATOM 0 HA LEU A 64 8.308 -9.455 -0.034 1.00 1.14 H new ATOM 0 HB2 LEU A 64 8.541 -7.386 1.156 1.00 1.43 H new ATOM 0 HB3 LEU A 64 8.683 -7.135 -0.572 1.00 1.43 H new ATOM 0 HG LEU A 64 6.031 -6.581 -0.248 1.00 1.43 H new ATOM 0 HD11 LEU A 64 5.732 -5.200 1.733 1.00 2.35 H new ATOM 0 HD12 LEU A 64 6.052 -6.896 2.167 1.00 2.35 H new ATOM 0 HD13 LEU A 64 7.340 -5.678 2.326 1.00 2.35 H new ATOM 0 HD21 LEU A 64 6.860 -4.200 -0.274 1.00 1.98 H new ATOM 0 HD22 LEU A 64 8.456 -4.762 0.278 1.00 1.98 H new ATOM 0 HD23 LEU A 64 7.859 -5.223 -1.334 1.00 1.98 H new ATOM 1006 N GLY A 65 5.270 -9.529 0.936 1.00 1.22 N ATOM 1007 CA GLY A 65 4.437 -10.041 2.016 1.00 1.66 C ATOM 1008 C GLY A 65 2.993 -10.389 1.636 1.00 1.07 C ATOM 1009 O GLY A 65 2.588 -11.542 1.777 1.00 1.36 O ATOM 0 H GLY A 65 4.772 -9.326 0.069 1.00 1.22 H new ATOM 0 HA2 GLY A 65 4.911 -10.934 2.423 1.00 1.66 H new ATOM 0 HA3 GLY A 65 4.414 -9.300 2.815 1.00 1.66 H new ATOM 1013 N PHE A 66 2.180 -9.390 1.271 1.00 0.94 N ATOM 1014 CA PHE A 66 0.741 -9.414 1.549 1.00 1.22 C ATOM 1015 C PHE A 66 -0.118 -9.102 0.331 1.00 1.34 C ATOM 1016 O PHE A 66 0.250 -8.322 -0.544 1.00 2.11 O ATOM 1017 CB PHE A 66 0.431 -8.457 2.706 1.00 1.71 C ATOM 1018 CG PHE A 66 1.330 -8.682 3.904 1.00 1.63 C ATOM 1019 CD1 PHE A 66 1.297 -9.922 4.569 1.00 2.71 C ATOM 1020 CD2 PHE A 66 2.315 -7.734 4.239 1.00 2.30 C ATOM 1021 CE1 PHE A 66 2.261 -10.223 5.545 1.00 3.23 C ATOM 1022 CE2 PHE A 66 3.272 -8.032 5.225 1.00 2.39 C ATOM 1023 CZ PHE A 66 3.250 -9.280 5.870 1.00 2.51 C ATOM 0 H PHE A 66 2.497 -8.553 0.781 1.00 0.94 H new ATOM 0 HA PHE A 66 0.481 -10.434 1.832 1.00 1.22 H new ATOM 0 HB2 PHE A 66 0.541 -7.429 2.362 1.00 1.71 H new ATOM 0 HB3 PHE A 66 -0.609 -8.582 3.008 1.00 1.71 H new ATOM 0 HD1 PHE A 66 0.530 -10.643 4.328 1.00 2.71 H new ATOM 0 HD2 PHE A 66 2.336 -6.777 3.738 1.00 2.30 H new ATOM 0 HE1 PHE A 66 2.242 -11.180 6.046 1.00 3.23 H new ATOM 0 HE2 PHE A 66 4.024 -7.302 5.486 1.00 2.39 H new ATOM 0 HZ PHE A 66 3.994 -9.515 6.617 1.00 2.51 H new ATOM 1033 N GLY A 67 -1.292 -9.733 0.279 1.00 1.16 N ATOM 1034 CA GLY A 67 -2.116 -9.762 -0.913 1.00 1.04 C ATOM 1035 C GLY A 67 -2.831 -8.443 -1.151 1.00 0.94 C ATOM 1036 O GLY A 67 -4.000 -8.279 -0.815 1.00 1.47 O ATOM 0 H GLY A 67 -1.693 -10.238 1.070 1.00 1.16 H new ATOM 0 HA2 GLY A 67 -1.494 -9.997 -1.777 1.00 1.04 H new ATOM 0 HA3 GLY A 67 -2.852 -10.561 -0.824 1.00 1.04 H new ATOM 1040 N ALA A 68 -2.091 -7.518 -1.744 1.00 0.93 N ATOM 1041 CA ALA A 68 -2.514 -6.173 -2.098 1.00 0.91 C ATOM 1042 C ALA A 68 -3.255 -6.179 -3.437 1.00 0.86 C ATOM 1043 O ALA A 68 -2.636 -6.051 -4.497 1.00 1.36 O ATOM 1044 CB ALA A 68 -1.283 -5.271 -2.150 1.00 0.99 C ATOM 0 H ALA A 68 -1.122 -7.698 -2.006 1.00 0.93 H new ATOM 0 HA ALA A 68 -3.206 -5.791 -1.347 1.00 0.91 H new ATOM 0 HB1 ALA A 68 -1.585 -4.258 -2.415 1.00 0.99 H new ATOM 0 HB2 ALA A 68 -0.797 -5.262 -1.174 1.00 0.99 H new ATOM 0 HB3 ALA A 68 -0.586 -5.649 -2.898 1.00 0.99 H new ATOM 1050 N THR A 69 -4.576 -6.340 -3.398 1.00 0.60 N ATOM 1051 CA THR A 69 -5.460 -6.314 -4.558 1.00 0.69 C ATOM 1052 C THR A 69 -6.110 -4.932 -4.640 1.00 0.62 C ATOM 1053 O THR A 69 -6.698 -4.496 -3.652 1.00 0.71 O ATOM 1054 CB THR A 69 -6.533 -7.391 -4.365 1.00 0.94 C ATOM 1055 OG1 THR A 69 -7.075 -7.270 -3.066 1.00 2.34 O ATOM 1056 CG2 THR A 69 -5.942 -8.796 -4.508 1.00 2.30 C ATOM 0 H THR A 69 -5.077 -6.498 -2.524 1.00 0.60 H new ATOM 0 HA THR A 69 -4.909 -6.508 -5.478 1.00 0.69 H new ATOM 0 HB THR A 69 -7.299 -7.250 -5.128 1.00 0.94 H new ATOM 0 HG1 THR A 69 -7.029 -6.334 -2.778 1.00 2.34 H new ATOM 0 HG21 THR A 69 -6.728 -9.538 -4.366 1.00 2.30 H new ATOM 0 HG22 THR A 69 -5.511 -8.910 -5.503 1.00 2.30 H new ATOM 0 HG23 THR A 69 -5.165 -8.942 -3.757 1.00 2.30 H new ATOM 1064 N VAL A 70 -6.023 -4.248 -5.784 1.00 0.59 N ATOM 1065 CA VAL A 70 -6.469 -2.885 -5.959 1.00 0.61 C ATOM 1066 C VAL A 70 -7.974 -2.871 -6.225 1.00 0.76 C ATOM 1067 O VAL A 70 -8.461 -3.625 -7.064 1.00 0.81 O ATOM 1068 CB VAL A 70 -5.656 -2.303 -7.121 1.00 0.62 C ATOM 1069 CG1 VAL A 70 -6.069 -0.873 -7.410 1.00 1.44 C ATOM 1070 CG2 VAL A 70 -4.173 -2.280 -6.751 1.00 1.79 C ATOM 0 H VAL A 70 -5.626 -4.650 -6.633 1.00 0.59 H new ATOM 0 HA VAL A 70 -6.309 -2.276 -5.069 1.00 0.61 H new ATOM 0 HB VAL A 70 -5.837 -2.928 -7.996 1.00 0.62 H new ATOM 0 HG11 VAL A 70 -5.477 -0.484 -8.238 1.00 1.44 H new ATOM 0 HG12 VAL A 70 -7.126 -0.846 -7.675 1.00 1.44 H new ATOM 0 HG13 VAL A 70 -5.901 -0.260 -6.525 1.00 1.44 H new ATOM 0 HG21 VAL A 70 -3.598 -1.866 -7.579 1.00 1.79 H new ATOM 0 HG22 VAL A 70 -4.029 -1.663 -5.864 1.00 1.79 H new ATOM 0 HG23 VAL A 70 -3.834 -3.295 -6.545 1.00 1.79 H new ATOM 1080 N ILE A 71 -8.698 -2.032 -5.483 1.00 0.92 N ATOM 1081 CA ILE A 71 -10.152 -1.919 -5.507 1.00 1.14 C ATOM 1082 C ILE A 71 -10.522 -0.438 -5.360 1.00 1.29 C ATOM 1083 O ILE A 71 -11.158 -0.022 -4.394 1.00 1.99 O ATOM 1084 CB ILE A 71 -10.775 -2.773 -4.386 1.00 1.38 C ATOM 1085 CG1 ILE A 71 -10.211 -4.205 -4.362 1.00 1.85 C ATOM 1086 CG2 ILE A 71 -12.305 -2.835 -4.528 1.00 1.84 C ATOM 1087 CD1 ILE A 71 -10.831 -5.071 -3.265 1.00 2.29 C ATOM 0 H ILE A 71 -8.266 -1.386 -4.822 1.00 0.92 H new ATOM 0 HA ILE A 71 -10.547 -2.294 -6.451 1.00 1.14 H new ATOM 0 HB ILE A 71 -10.513 -2.287 -3.446 1.00 1.38 H new ATOM 0 HG12 ILE A 71 -10.385 -4.675 -5.330 1.00 1.85 H new ATOM 0 HG13 ILE A 71 -9.131 -4.162 -4.218 1.00 1.85 H new ATOM 0 HG21 ILE A 71 -12.721 -3.444 -3.725 1.00 1.84 H new ATOM 0 HG22 ILE A 71 -12.717 -1.827 -4.470 1.00 1.84 H new ATOM 0 HG23 ILE A 71 -12.563 -3.278 -5.490 1.00 1.84 H new ATOM 0 HD11 ILE A 71 -10.394 -6.069 -3.298 1.00 2.29 H new ATOM 0 HD12 ILE A 71 -10.635 -4.621 -2.292 1.00 2.29 H new ATOM 0 HD13 ILE A 71 -11.907 -5.141 -3.422 1.00 2.29 H new ATOM 1099 N GLU A 72 -10.116 0.364 -6.341 1.00 1.15 N ATOM 1100 CA GLU A 72 -10.592 1.737 -6.482 1.00 1.22 C ATOM 1101 C GLU A 72 -12.099 1.720 -6.792 1.00 1.44 C ATOM 1102 O GLU A 72 -12.595 0.720 -7.314 1.00 2.47 O ATOM 1103 CB GLU A 72 -9.776 2.452 -7.579 1.00 1.56 C ATOM 1104 CG GLU A 72 -9.397 3.885 -7.187 1.00 2.44 C ATOM 1105 CD GLU A 72 -10.600 4.804 -7.082 1.00 3.73 C ATOM 1106 OE1 GLU A 72 -11.166 4.846 -5.967 1.00 4.94 O ATOM 1107 OE2 GLU A 72 -10.965 5.393 -8.119 1.00 4.50 O ATOM 0 H GLU A 72 -9.449 0.081 -7.059 1.00 1.15 H new ATOM 0 HA GLU A 72 -10.450 2.292 -5.554 1.00 1.22 H new ATOM 0 HB2 GLU A 72 -8.869 1.882 -7.783 1.00 1.56 H new ATOM 0 HB3 GLU A 72 -10.354 2.472 -8.503 1.00 1.56 H new ATOM 0 HG2 GLU A 72 -8.873 3.869 -6.231 1.00 2.44 H new ATOM 0 HG3 GLU A 72 -8.702 4.287 -7.924 1.00 2.44 H new