USER MOD reduce.3.24.130724 H: found=0, std=0, add=820, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 818 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 Single : A 6 THR OG1 : rot 121:sc= 0.82 USER MOD Single : A 8 TYR OH : rot 30:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ -151:sc= 0 (180deg=-0.694) USER MOD Single : A 21 SER OG : rot -82:sc= -0.351 USER MOD Single : A 25 ASN : amide:sc= -0.0346 X(o=-0.035,f=-0.52) USER MOD Single : A 27 SER OG : rot 75:sc= 1.37 USER MOD Single : A 29 CYS SG : rot 33:sc= 0.0921 USER MOD Single : A 31 HIS : no HD1:sc= -4.17 K(o=-4.2,f=-6.1!) USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 MET CE :methyl 150:sc= -0.848 (180deg=-2.91!) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 TYR OH : rot 112:sc= 0.283 USER MOD Single : A 68 SER OG : rot 180:sc= 0.013 USER MOD Single : A 71 THR OG1 : rot -91:sc= 0.0708 USER MOD Single : A 72 TYR OH : rot 180:sc= 0 USER MOD Single : A 76 GLN :FLIP amide:sc= 0.019 F(o=-0.69,f=0.019) USER MOD Single : A 78 MET CE :methyl -156:sc= -1 (180deg=-1.2) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 THR OG1 : rot 180:sc= 0.0523 USER MOD Single : A 91 GLN : amide:sc= -0.36 K(o=-0.36,f=-1.2) USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 GLN : amide:sc= -0.0835 X(o=-0.084,f=-0.041) USER MOD Single : A 96 THR OG1 : rot -90:sc= 1.15 USER MOD Single : B 1 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.061) USER MOD Single : B -4 SER OG : rot -13:sc= 0.978 USER MOD Single : B -7 PHE N :NH3+ 151:sc= 0.0749 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 42 N LEU A 2 8.056 -0.258 -7.306 1.00 2.25 N ATOM 43 CA LEU A 2 9.361 -0.363 -7.949 1.00 40.35 C ATOM 44 C LEU A 2 9.659 -1.806 -8.344 1.00 2.32 C ATOM 45 O LEU A 2 9.278 -2.743 -7.643 1.00 32.31 O ATOM 46 CB LEU A 2 10.455 0.160 -7.017 1.00 63.20 C ATOM 47 CG LEU A 2 10.802 -0.731 -5.824 1.00 24.31 C ATOM 48 CD1 LEU A 2 12.264 -0.561 -5.438 1.00 35.32 C ATOM 49 CD2 LEU A 2 9.897 -0.417 -4.642 1.00 75.22 C ATOM 0 HA LEU A 2 9.343 0.245 -8.853 1.00 40.35 H new ATOM 0 HB2 LEU A 2 11.360 0.316 -7.604 1.00 63.20 H new ATOM 0 HB3 LEU A 2 10.147 1.135 -6.639 1.00 63.20 H new ATOM 0 HG LEU A 2 10.642 -1.770 -6.113 1.00 24.31 H new ATOM 0 HD11 LEU A 2 12.493 -1.203 -4.587 1.00 35.32 H new ATOM 0 HD12 LEU A 2 12.897 -0.837 -6.281 1.00 35.32 H new ATOM 0 HD13 LEU A 2 12.451 0.479 -5.169 1.00 35.32 H new ATOM 0 HD21 LEU A 2 10.159 -1.061 -3.802 1.00 75.22 H new ATOM 0 HD22 LEU A 2 10.025 0.626 -4.353 1.00 75.22 H new ATOM 0 HD23 LEU A 2 8.858 -0.591 -4.923 1.00 75.22 H new ATOM 61 N PHE A 3 10.345 -1.976 -9.469 1.00 62.40 N ATOM 62 CA PHE A 3 10.696 -3.305 -9.956 1.00 62.32 C ATOM 63 C PHE A 3 12.209 -3.504 -9.952 1.00 61.02 C ATOM 64 O PHE A 3 12.972 -2.543 -10.048 1.00 22.43 O ATOM 65 CB PHE A 3 10.147 -3.515 -11.369 1.00 34.53 C ATOM 66 CG PHE A 3 8.647 -3.572 -11.426 1.00 52.41 C ATOM 67 CD1 PHE A 3 7.894 -2.410 -11.367 1.00 1.34 C ATOM 68 CD2 PHE A 3 7.990 -4.786 -11.540 1.00 54.02 C ATOM 69 CE1 PHE A 3 6.514 -2.459 -11.418 1.00 51.25 C ATOM 70 CE2 PHE A 3 6.609 -4.841 -11.593 1.00 25.20 C ATOM 71 CZ PHE A 3 5.871 -3.676 -11.533 1.00 52.21 C ATOM 0 H PHE A 3 10.669 -1.211 -10.060 1.00 62.40 H new ATOM 0 HA PHE A 3 10.249 -4.040 -9.286 1.00 62.32 H new ATOM 0 HB2 PHE A 3 10.497 -2.706 -12.010 1.00 34.53 H new ATOM 0 HB3 PHE A 3 10.554 -4.441 -11.774 1.00 34.53 H new ATOM 0 HD1 PHE A 3 8.391 -1.455 -11.280 1.00 1.34 H new ATOM 0 HD2 PHE A 3 8.563 -5.700 -11.588 1.00 54.02 H new ATOM 0 HE1 PHE A 3 5.939 -1.546 -11.368 1.00 51.25 H new ATOM 0 HE2 PHE A 3 6.109 -5.794 -11.681 1.00 25.20 H new ATOM 0 HZ PHE A 3 4.793 -3.716 -11.576 1.00 52.21 H new ATOM 81 N ALA A 4 12.635 -4.758 -9.840 1.00 72.03 N ATOM 82 CA ALA A 4 14.055 -5.084 -9.825 1.00 45.01 C ATOM 83 C ALA A 4 14.377 -6.186 -10.829 1.00 34.33 C ATOM 84 O ALA A 4 13.523 -7.012 -11.154 1.00 51.50 O ATOM 85 CB ALA A 4 14.487 -5.499 -8.426 1.00 52.03 C ATOM 0 H ALA A 4 12.016 -5.565 -9.758 1.00 72.03 H new ATOM 0 HA ALA A 4 14.610 -4.192 -10.115 1.00 45.01 H new ATOM 0 HB1 ALA A 4 15.550 -5.740 -8.430 1.00 52.03 H new ATOM 0 HB2 ALA A 4 14.303 -4.680 -7.730 1.00 52.03 H new ATOM 0 HB3 ALA A 4 13.918 -6.375 -8.114 1.00 52.03 H new ATOM 91 N VAL A 5 15.613 -6.194 -11.317 1.00 51.10 N ATOM 92 CA VAL A 5 16.047 -7.195 -12.284 1.00 32.43 C ATOM 93 C VAL A 5 17.224 -8.003 -11.748 1.00 34.03 C ATOM 94 O VAL A 5 18.245 -7.443 -11.347 1.00 35.25 O ATOM 95 CB VAL A 5 16.450 -6.547 -13.621 1.00 44.31 C ATOM 96 CG1 VAL A 5 17.511 -5.480 -13.399 1.00 2.44 C ATOM 97 CG2 VAL A 5 16.942 -7.604 -14.598 1.00 43.44 C ATOM 0 H VAL A 5 16.332 -5.518 -11.058 1.00 51.10 H new ATOM 0 HA VAL A 5 15.200 -7.860 -12.452 1.00 32.43 H new ATOM 0 HB VAL A 5 15.571 -6.067 -14.052 1.00 44.31 H new ATOM 0 HG11 VAL A 5 17.783 -5.033 -14.355 1.00 2.44 H new ATOM 0 HG12 VAL A 5 17.118 -4.709 -12.737 1.00 2.44 H new ATOM 0 HG13 VAL A 5 18.393 -5.933 -12.946 1.00 2.44 H new ATOM 0 HG21 VAL A 5 17.223 -7.128 -15.538 1.00 43.44 H new ATOM 0 HG22 VAL A 5 17.808 -8.114 -14.177 1.00 43.44 H new ATOM 0 HG23 VAL A 5 16.148 -8.328 -14.781 1.00 43.44 H new ATOM 107 N THR A 6 17.075 -9.324 -11.744 1.00 32.23 N ATOM 108 CA THR A 6 18.125 -10.210 -11.256 1.00 75.05 C ATOM 109 C THR A 6 19.349 -10.163 -12.164 1.00 35.31 C ATOM 110 O THR A 6 19.233 -10.274 -13.385 1.00 43.03 O ATOM 111 CB THR A 6 17.630 -11.665 -11.156 1.00 34.24 C ATOM 112 OG1 THR A 6 16.446 -11.836 -11.943 1.00 12.21 O ATOM 113 CG2 THR A 6 17.341 -12.040 -9.710 1.00 4.34 C ATOM 0 H THR A 6 16.237 -9.804 -12.073 1.00 32.23 H new ATOM 0 HA THR A 6 18.399 -9.858 -10.262 1.00 75.05 H new ATOM 0 HB THR A 6 18.415 -12.319 -11.535 1.00 34.24 H new ATOM 0 HG1 THR A 6 16.603 -12.522 -12.625 1.00 12.21 H new ATOM 0 HG21 THR A 6 16.993 -13.072 -9.664 1.00 4.34 H new ATOM 0 HG22 THR A 6 18.251 -11.938 -9.119 1.00 4.34 H new ATOM 0 HG23 THR A 6 16.572 -11.380 -9.310 1.00 4.34 H new ATOM 121 N LEU A 7 20.521 -9.999 -11.560 1.00 75.44 N ATOM 122 CA LEU A 7 21.768 -9.939 -12.315 1.00 13.12 C ATOM 123 C LEU A 7 22.524 -11.261 -12.224 1.00 12.52 C ATOM 124 O LEU A 7 23.411 -11.537 -13.032 1.00 12.12 O ATOM 125 CB LEU A 7 22.646 -8.799 -11.796 1.00 32.02 C ATOM 126 CG LEU A 7 22.001 -7.413 -11.772 1.00 43.41 C ATOM 127 CD1 LEU A 7 22.966 -6.385 -11.199 1.00 75.44 C ATOM 128 CD2 LEU A 7 21.556 -7.008 -13.170 1.00 12.43 C ATOM 0 H LEU A 7 20.634 -9.905 -10.551 1.00 75.44 H new ATOM 0 HA LEU A 7 21.523 -9.754 -13.361 1.00 13.12 H new ATOM 0 HB2 LEU A 7 22.967 -9.046 -10.784 1.00 32.02 H new ATOM 0 HB3 LEU A 7 23.544 -8.749 -12.412 1.00 32.02 H new ATOM 0 HG LEU A 7 21.121 -7.453 -11.129 1.00 43.41 H new ATOM 0 HD11 LEU A 7 22.490 -5.405 -11.190 1.00 75.44 H new ATOM 0 HD12 LEU A 7 23.236 -6.667 -10.181 1.00 75.44 H new ATOM 0 HD13 LEU A 7 23.864 -6.346 -11.815 1.00 75.44 H new ATOM 0 HD21 LEU A 7 21.099 -6.019 -13.134 1.00 12.43 H new ATOM 0 HD22 LEU A 7 22.420 -6.985 -13.834 1.00 12.43 H new ATOM 0 HD23 LEU A 7 20.830 -7.730 -13.544 1.00 12.43 H new ATOM 140 N TYR A 8 22.166 -12.074 -11.237 1.00 33.03 N ATOM 141 CA TYR A 8 22.810 -13.367 -11.040 1.00 5.11 C ATOM 142 C TYR A 8 21.775 -14.461 -10.799 1.00 31.02 C ATOM 143 O TYR A 8 20.653 -14.185 -10.376 1.00 75.54 O ATOM 144 CB TYR A 8 23.783 -13.301 -9.861 1.00 61.21 C ATOM 145 CG TYR A 8 24.887 -12.284 -10.043 1.00 31.01 C ATOM 146 CD1 TYR A 8 24.639 -10.926 -9.887 1.00 0.30 C ATOM 147 CD2 TYR A 8 26.177 -12.681 -10.372 1.00 2.25 C ATOM 148 CE1 TYR A 8 25.644 -9.993 -10.053 1.00 2.53 C ATOM 149 CE2 TYR A 8 27.189 -11.755 -10.538 1.00 13.13 C ATOM 150 CZ TYR A 8 26.917 -10.412 -10.378 1.00 23.15 C ATOM 151 OH TYR A 8 27.922 -9.487 -10.544 1.00 10.53 O ATOM 0 H TYR A 8 21.433 -11.861 -10.561 1.00 33.03 H new ATOM 0 HA TYR A 8 23.364 -13.610 -11.947 1.00 5.11 H new ATOM 0 HB2 TYR A 8 23.227 -13.062 -8.955 1.00 61.21 H new ATOM 0 HB3 TYR A 8 24.228 -14.285 -9.712 1.00 61.21 H new ATOM 0 HD1 TYR A 8 23.644 -10.594 -9.632 1.00 0.30 H new ATOM 0 HD2 TYR A 8 26.393 -13.731 -10.500 1.00 2.25 H new ATOM 0 HE1 TYR A 8 25.434 -8.941 -9.929 1.00 2.53 H new ATOM 0 HE2 TYR A 8 28.187 -12.081 -10.792 1.00 13.13 H new ATOM 0 HH TYR A 8 27.748 -8.709 -9.973 1.00 10.53 H new ATOM 161 N GLU A 9 22.162 -15.703 -11.070 1.00 60.54 N ATOM 162 CA GLU A 9 21.267 -16.840 -10.883 1.00 45.33 C ATOM 163 C GLU A 9 21.263 -17.295 -9.427 1.00 11.43 C ATOM 164 O GLU A 9 22.214 -17.920 -8.957 1.00 74.21 O ATOM 165 CB GLU A 9 21.684 -18.000 -11.790 1.00 40.20 C ATOM 166 CG GLU A 9 20.856 -19.258 -11.589 1.00 14.55 C ATOM 167 CD GLU A 9 20.053 -19.631 -12.820 1.00 1.03 C ATOM 168 OE1 GLU A 9 20.552 -19.410 -13.943 1.00 74.11 O ATOM 169 OE2 GLU A 9 18.926 -20.145 -12.659 1.00 41.31 O ATOM 0 H GLU A 9 23.088 -15.948 -11.420 1.00 60.54 H new ATOM 0 HA GLU A 9 20.259 -16.524 -11.150 1.00 45.33 H new ATOM 0 HB2 GLU A 9 21.603 -17.684 -12.830 1.00 40.20 H new ATOM 0 HB3 GLU A 9 22.733 -18.233 -11.609 1.00 40.20 H new ATOM 0 HG2 GLU A 9 21.516 -20.085 -11.326 1.00 14.55 H new ATOM 0 HG3 GLU A 9 20.178 -19.112 -10.748 1.00 14.55 H new ATOM 176 N PHE A 10 20.186 -16.975 -8.717 1.00 1.04 N ATOM 177 CA PHE A 10 20.057 -17.349 -7.313 1.00 3.30 C ATOM 178 C PHE A 10 19.514 -18.768 -7.176 1.00 13.13 C ATOM 179 O PHE A 10 18.325 -19.013 -7.383 1.00 10.15 O ATOM 180 CB PHE A 10 19.139 -16.366 -6.584 1.00 12.02 C ATOM 181 CG PHE A 10 19.303 -16.387 -5.091 1.00 10.01 C ATOM 182 CD1 PHE A 10 20.508 -16.030 -4.508 1.00 42.42 C ATOM 183 CD2 PHE A 10 18.252 -16.763 -4.270 1.00 70.53 C ATOM 184 CE1 PHE A 10 20.662 -16.049 -3.135 1.00 0.11 C ATOM 185 CE2 PHE A 10 18.400 -16.784 -2.896 1.00 72.22 C ATOM 186 CZ PHE A 10 19.606 -16.425 -2.328 1.00 22.42 C ATOM 0 H PHE A 10 19.390 -16.458 -9.091 1.00 1.04 H new ATOM 0 HA PHE A 10 21.048 -17.313 -6.860 1.00 3.30 H new ATOM 0 HB2 PHE A 10 19.336 -15.358 -6.949 1.00 12.02 H new ATOM 0 HB3 PHE A 10 18.103 -16.597 -6.831 1.00 12.02 H new ATOM 0 HD1 PHE A 10 21.337 -15.733 -5.134 1.00 42.42 H new ATOM 0 HD2 PHE A 10 17.306 -17.043 -4.709 1.00 70.53 H new ATOM 0 HE1 PHE A 10 21.607 -15.770 -2.693 1.00 0.11 H new ATOM 0 HE2 PHE A 10 17.573 -17.081 -2.268 1.00 72.22 H new ATOM 0 HZ PHE A 10 19.724 -16.438 -1.254 1.00 22.42 H new ATOM 196 N LYS A 11 20.393 -19.701 -6.826 1.00 1.52 N ATOM 197 CA LYS A 11 20.004 -21.096 -6.660 1.00 0.23 C ATOM 198 C LYS A 11 19.369 -21.324 -5.292 1.00 22.44 C ATOM 199 O LYS A 11 20.068 -21.496 -4.294 1.00 23.44 O ATOM 200 CB LYS A 11 21.220 -22.009 -6.828 1.00 61.45 C ATOM 201 CG LYS A 11 21.677 -22.154 -8.270 1.00 33.22 C ATOM 202 CD LYS A 11 23.190 -22.247 -8.369 1.00 21.53 C ATOM 203 CE LYS A 11 23.633 -22.654 -9.766 1.00 24.13 C ATOM 204 NZ LYS A 11 23.938 -21.471 -10.617 1.00 74.14 N ATOM 0 H LYS A 11 21.381 -19.516 -6.652 1.00 1.52 H new ATOM 0 HA LYS A 11 19.268 -21.336 -7.427 1.00 0.23 H new ATOM 0 HB2 LYS A 11 22.044 -21.616 -6.232 1.00 61.45 H new ATOM 0 HB3 LYS A 11 20.981 -22.995 -6.430 1.00 61.45 H new ATOM 0 HG2 LYS A 11 21.227 -23.046 -8.707 1.00 33.22 H new ATOM 0 HG3 LYS A 11 21.325 -21.302 -8.852 1.00 33.22 H new ATOM 0 HD2 LYS A 11 23.632 -21.285 -8.112 1.00 21.53 H new ATOM 0 HD3 LYS A 11 23.559 -22.972 -7.643 1.00 21.53 H new ATOM 0 HE2 LYS A 11 24.516 -23.289 -9.696 1.00 24.13 H new ATOM 0 HE3 LYS A 11 22.850 -23.248 -10.237 1.00 24.13 H new ATOM 0 HZ1 LYS A 11 23.756 -21.704 -11.614 1.00 74.14 H new ATOM 0 HZ2 LYS A 11 23.334 -20.673 -10.332 1.00 74.14 H new ATOM 0 HZ3 LYS A 11 24.937 -21.208 -10.500 1.00 74.14 H new ATOM 218 N ALA A 12 18.041 -21.326 -5.254 1.00 32.33 N ATOM 219 CA ALA A 12 17.312 -21.538 -4.009 1.00 5.52 C ATOM 220 C ALA A 12 17.786 -22.804 -3.304 1.00 32.20 C ATOM 221 O ALA A 12 18.051 -23.820 -3.946 1.00 41.20 O ATOM 222 CB ALA A 12 15.817 -21.609 -4.278 1.00 54.51 C ATOM 0 H ALA A 12 17.447 -21.183 -6.071 1.00 32.33 H new ATOM 0 HA ALA A 12 17.511 -20.692 -3.352 1.00 5.52 H new ATOM 0 HB1 ALA A 12 15.286 -21.768 -3.340 1.00 54.51 H new ATOM 0 HB2 ALA A 12 15.484 -20.675 -4.730 1.00 54.51 H new ATOM 0 HB3 ALA A 12 15.608 -22.436 -4.957 1.00 54.51 H new ATOM 228 N GLU A 13 17.890 -22.736 -1.980 1.00 52.24 N ATOM 229 CA GLU A 13 18.333 -23.878 -1.190 1.00 20.03 C ATOM 230 C GLU A 13 17.167 -24.494 -0.423 1.00 34.24 C ATOM 231 O GLU A 13 17.160 -25.692 -0.140 1.00 32.34 O ATOM 232 CB GLU A 13 19.433 -23.455 -0.214 1.00 11.13 C ATOM 233 CG GLU A 13 19.102 -22.194 0.567 1.00 34.43 C ATOM 234 CD GLU A 13 20.124 -21.890 1.645 1.00 45.25 C ATOM 235 OE1 GLU A 13 20.653 -22.846 2.249 1.00 30.00 O ATOM 236 OE2 GLU A 13 20.396 -20.694 1.883 1.00 63.34 O ATOM 0 H GLU A 13 17.674 -21.903 -1.433 1.00 52.24 H new ATOM 0 HA GLU A 13 18.732 -24.627 -1.874 1.00 20.03 H new ATOM 0 HB2 GLU A 13 19.617 -24.269 0.487 1.00 11.13 H new ATOM 0 HB3 GLU A 13 20.358 -23.297 -0.769 1.00 11.13 H new ATOM 0 HG2 GLU A 13 19.043 -21.350 -0.121 1.00 34.43 H new ATOM 0 HG3 GLU A 13 18.118 -22.302 1.024 1.00 34.43 H new ATOM 243 N ARG A 14 16.182 -23.666 -0.089 1.00 23.03 N ATOM 244 CA ARG A 14 15.012 -24.128 0.647 1.00 35.10 C ATOM 245 C ARG A 14 13.725 -23.677 -0.039 1.00 63.21 C ATOM 246 O ARG A 14 13.762 -23.025 -1.083 1.00 24.32 O ATOM 247 CB ARG A 14 15.046 -23.604 2.084 1.00 63.31 C ATOM 248 CG ARG A 14 15.987 -24.379 2.992 1.00 32.42 C ATOM 249 CD ARG A 14 15.297 -25.586 3.609 1.00 13.24 C ATOM 250 NE ARG A 14 15.991 -26.062 4.803 1.00 70.44 N ATOM 251 CZ ARG A 14 15.467 -26.931 5.660 1.00 12.22 C ATOM 252 NH1 ARG A 14 14.249 -27.415 5.457 1.00 24.44 N ATOM 253 NH2 ARG A 14 16.161 -27.317 6.723 1.00 11.32 N ATOM 0 H ARG A 14 16.171 -22.672 -0.317 1.00 23.03 H new ATOM 0 HA ARG A 14 15.033 -25.218 0.664 1.00 35.10 H new ATOM 0 HB2 ARG A 14 15.346 -22.556 2.073 1.00 63.31 H new ATOM 0 HB3 ARG A 14 14.039 -23.643 2.500 1.00 63.31 H new ATOM 0 HG2 ARG A 14 16.856 -24.707 2.422 1.00 32.42 H new ATOM 0 HG3 ARG A 14 16.353 -23.724 3.783 1.00 32.42 H new ATOM 0 HD2 ARG A 14 14.271 -25.325 3.866 1.00 13.24 H new ATOM 0 HD3 ARG A 14 15.247 -26.390 2.874 1.00 13.24 H new ATOM 0 HE ARG A 14 16.929 -25.708 4.989 1.00 70.44 H new ATOM 0 HH11 ARG A 14 13.712 -27.120 4.641 1.00 24.44 H new ATOM 0 HH12 ARG A 14 13.849 -28.082 6.117 1.00 24.44 H new ATOM 0 HH21 ARG A 14 17.098 -26.946 6.883 1.00 11.32 H new ATOM 0 HH22 ARG A 14 15.758 -27.984 7.381 1.00 11.32 H new ATOM 267 N ASP A 15 12.590 -24.029 0.554 1.00 70.21 N ATOM 268 CA ASP A 15 11.292 -23.661 0.001 1.00 40.44 C ATOM 269 C ASP A 15 11.101 -22.147 0.024 1.00 65.23 C ATOM 270 O ASP A 15 10.515 -21.571 -0.893 1.00 62.40 O ATOM 271 CB ASP A 15 10.168 -24.341 0.784 1.00 41.31 C ATOM 272 CG ASP A 15 10.300 -25.851 0.792 1.00 53.01 C ATOM 273 OD1 ASP A 15 11.094 -26.382 -0.012 1.00 44.02 O ATOM 274 OD2 ASP A 15 9.609 -26.502 1.603 1.00 12.00 O ATOM 0 H ASP A 15 12.542 -24.569 1.418 1.00 70.21 H new ATOM 0 HA ASP A 15 11.258 -23.998 -1.035 1.00 40.44 H new ATOM 0 HB2 ASP A 15 10.170 -23.974 1.810 1.00 41.31 H new ATOM 0 HB3 ASP A 15 9.207 -24.065 0.349 1.00 41.31 H new ATOM 279 N ASP A 16 11.599 -21.510 1.077 1.00 3.44 N ATOM 280 CA ASP A 16 11.484 -20.063 1.220 1.00 10.13 C ATOM 281 C ASP A 16 12.233 -19.345 0.102 1.00 52.12 C ATOM 282 O ASP A 16 11.806 -18.290 -0.365 1.00 52.35 O ATOM 283 CB ASP A 16 12.025 -19.619 2.580 1.00 10.51 C ATOM 284 CG ASP A 16 11.267 -20.241 3.736 1.00 24.32 C ATOM 285 OD1 ASP A 16 10.246 -19.659 4.159 1.00 23.41 O ATOM 286 OD2 ASP A 16 11.695 -21.311 4.218 1.00 70.14 O ATOM 0 H ASP A 16 12.086 -21.972 1.845 1.00 3.44 H new ATOM 0 HA ASP A 16 10.429 -19.799 1.154 1.00 10.13 H new ATOM 0 HB2 ASP A 16 13.079 -19.888 2.654 1.00 10.51 H new ATOM 0 HB3 ASP A 16 11.967 -18.533 2.654 1.00 10.51 H new ATOM 291 N GLU A 17 13.352 -19.925 -0.321 1.00 52.55 N ATOM 292 CA GLU A 17 14.160 -19.338 -1.384 1.00 25.12 C ATOM 293 C GLU A 17 13.530 -19.591 -2.750 1.00 62.42 C ATOM 294 O GLU A 17 13.000 -20.672 -3.011 1.00 72.13 O ATOM 295 CB GLU A 17 15.579 -19.910 -1.350 1.00 61.42 C ATOM 296 CG GLU A 17 16.327 -19.608 -0.063 1.00 2.03 C ATOM 297 CD GLU A 17 17.067 -18.285 -0.115 1.00 34.14 C ATOM 298 OE1 GLU A 17 16.401 -17.231 -0.042 1.00 52.12 O ATOM 299 OE2 GLU A 17 18.310 -18.304 -0.228 1.00 11.33 O ATOM 0 H GLU A 17 13.719 -20.799 0.055 1.00 52.55 H new ATOM 0 HA GLU A 17 14.205 -18.262 -1.219 1.00 25.12 H new ATOM 0 HB2 GLU A 17 15.529 -20.990 -1.486 1.00 61.42 H new ATOM 0 HB3 GLU A 17 16.144 -19.508 -2.191 1.00 61.42 H new ATOM 0 HG2 GLU A 17 15.622 -19.593 0.768 1.00 2.03 H new ATOM 0 HG3 GLU A 17 17.038 -20.410 0.137 1.00 2.03 H new ATOM 306 N LEU A 18 13.592 -18.588 -3.618 1.00 54.15 N ATOM 307 CA LEU A 18 13.027 -18.700 -4.959 1.00 32.31 C ATOM 308 C LEU A 18 14.126 -18.689 -6.016 1.00 4.31 C ATOM 309 O LEU A 18 14.967 -17.790 -6.041 1.00 41.35 O ATOM 310 CB LEU A 18 12.044 -17.557 -5.217 1.00 34.22 C ATOM 311 CG LEU A 18 11.065 -17.762 -6.373 1.00 74.05 C ATOM 312 CD1 LEU A 18 9.969 -18.740 -5.978 1.00 54.54 C ATOM 313 CD2 LEU A 18 10.465 -16.432 -6.807 1.00 20.14 C ATOM 0 H LEU A 18 14.028 -17.688 -3.418 1.00 54.15 H new ATOM 0 HA LEU A 18 12.496 -19.650 -5.024 1.00 32.31 H new ATOM 0 HB2 LEU A 18 11.469 -17.386 -4.307 1.00 34.22 H new ATOM 0 HB3 LEU A 18 12.616 -16.649 -5.408 1.00 34.22 H new ATOM 0 HG LEU A 18 11.612 -18.183 -7.216 1.00 74.05 H new ATOM 0 HD11 LEU A 18 9.282 -18.873 -6.814 1.00 54.54 H new ATOM 0 HD12 LEU A 18 10.415 -19.700 -5.718 1.00 54.54 H new ATOM 0 HD13 LEU A 18 9.424 -18.348 -5.119 1.00 54.54 H new ATOM 0 HD21 LEU A 18 9.771 -16.598 -7.631 1.00 20.14 H new ATOM 0 HD22 LEU A 18 9.933 -15.982 -5.969 1.00 20.14 H new ATOM 0 HD23 LEU A 18 11.261 -15.763 -7.133 1.00 20.14 H new ATOM 325 N ASP A 19 14.113 -19.691 -6.887 1.00 74.32 N ATOM 326 CA ASP A 19 15.107 -19.795 -7.949 1.00 73.02 C ATOM 327 C ASP A 19 14.853 -18.753 -9.034 1.00 63.34 C ATOM 328 O ASP A 19 13.759 -18.677 -9.593 1.00 12.01 O ATOM 329 CB ASP A 19 15.090 -21.198 -8.558 1.00 34.23 C ATOM 330 CG ASP A 19 13.791 -21.500 -9.279 1.00 70.52 C ATOM 331 OD1 ASP A 19 12.717 -21.339 -8.662 1.00 2.41 O ATOM 332 OD2 ASP A 19 13.848 -21.898 -10.461 1.00 63.14 O ATOM 0 H ASP A 19 13.425 -20.444 -6.879 1.00 74.32 H new ATOM 0 HA ASP A 19 16.089 -19.609 -7.514 1.00 73.02 H new ATOM 0 HB2 ASP A 19 15.921 -21.298 -9.256 1.00 34.23 H new ATOM 0 HB3 ASP A 19 15.245 -21.935 -7.770 1.00 34.23 H new ATOM 337 N VAL A 20 15.872 -17.952 -9.328 1.00 3.43 N ATOM 338 CA VAL A 20 15.760 -16.914 -10.346 1.00 23.11 C ATOM 339 C VAL A 20 17.022 -16.843 -11.199 1.00 74.23 C ATOM 340 O VAL A 20 18.111 -17.190 -10.744 1.00 65.25 O ATOM 341 CB VAL A 20 15.503 -15.533 -9.714 1.00 72.21 C ATOM 342 CG1 VAL A 20 16.722 -15.068 -8.932 1.00 53.12 C ATOM 343 CG2 VAL A 20 15.127 -14.520 -10.785 1.00 1.24 C ATOM 0 H VAL A 20 16.785 -18.002 -8.876 1.00 3.43 H new ATOM 0 HA VAL A 20 14.912 -17.180 -10.977 1.00 23.11 H new ATOM 0 HB VAL A 20 14.668 -15.620 -9.019 1.00 72.21 H new ATOM 0 HG11 VAL A 20 16.522 -14.091 -8.493 1.00 53.12 H new ATOM 0 HG12 VAL A 20 16.941 -15.784 -8.140 1.00 53.12 H new ATOM 0 HG13 VAL A 20 17.578 -14.996 -9.602 1.00 53.12 H new ATOM 0 HG21 VAL A 20 14.949 -13.550 -10.322 1.00 1.24 H new ATOM 0 HG22 VAL A 20 15.940 -14.434 -11.506 1.00 1.24 H new ATOM 0 HG23 VAL A 20 14.222 -14.850 -11.296 1.00 1.24 H new ATOM 353 N SER A 21 16.866 -16.391 -12.439 1.00 52.33 N ATOM 354 CA SER A 21 17.992 -16.277 -13.359 1.00 10.03 C ATOM 355 C SER A 21 18.266 -14.816 -13.704 1.00 71.42 C ATOM 356 O SER A 21 17.409 -13.945 -13.555 1.00 74.34 O ATOM 357 CB SER A 21 17.717 -17.072 -14.636 1.00 71.24 C ATOM 358 OG SER A 21 18.103 -18.427 -14.487 1.00 30.43 O ATOM 0 H SER A 21 15.971 -16.098 -12.830 1.00 52.33 H new ATOM 0 HA SER A 21 18.874 -16.687 -12.867 1.00 10.03 H new ATOM 0 HB2 SER A 21 16.656 -17.018 -14.880 1.00 71.24 H new ATOM 0 HB3 SER A 21 18.259 -16.626 -15.470 1.00 71.24 H new ATOM 0 HG SER A 21 19.067 -18.512 -14.643 1.00 30.43 H new ATOM 364 N PRO A 22 19.490 -14.541 -14.177 1.00 44.30 N ATOM 365 CA PRO A 22 19.907 -13.187 -14.554 1.00 40.14 C ATOM 366 C PRO A 22 19.203 -12.693 -15.814 1.00 32.53 C ATOM 367 O PRO A 22 19.274 -13.328 -16.865 1.00 53.03 O ATOM 368 CB PRO A 22 21.410 -13.335 -14.805 1.00 73.13 C ATOM 369 CG PRO A 22 21.594 -14.769 -15.167 1.00 12.34 C ATOM 370 CD PRO A 22 20.562 -15.530 -14.380 1.00 44.42 C ATOM 0 HA PRO A 22 19.659 -12.456 -13.785 1.00 40.14 H new ATOM 0 HB2 PRO A 22 21.744 -12.678 -15.608 1.00 73.13 H new ATOM 0 HB3 PRO A 22 21.987 -13.073 -13.918 1.00 73.13 H new ATOM 0 HG2 PRO A 22 21.459 -14.922 -16.238 1.00 12.34 H new ATOM 0 HG3 PRO A 22 22.600 -15.108 -14.921 1.00 12.34 H new ATOM 0 HD2 PRO A 22 20.205 -16.404 -14.925 1.00 44.42 H new ATOM 0 HD3 PRO A 22 20.963 -15.888 -13.432 1.00 44.42 H new ATOM 378 N GLY A 23 18.523 -11.556 -15.699 1.00 60.44 N ATOM 379 CA GLY A 23 17.816 -10.997 -16.837 1.00 30.33 C ATOM 380 C GLY A 23 16.311 -11.105 -16.694 1.00 12.13 C ATOM 381 O GLY A 23 15.568 -10.754 -17.610 1.00 32.04 O ATOM 0 H GLY A 23 18.449 -11.013 -14.839 1.00 60.44 H new ATOM 0 HA2 GLY A 23 18.093 -9.949 -16.954 1.00 30.33 H new ATOM 0 HA3 GLY A 23 18.130 -11.513 -17.745 1.00 30.33 H new ATOM 385 N GLU A 24 15.861 -11.593 -15.542 1.00 34.10 N ATOM 386 CA GLU A 24 14.434 -11.748 -15.284 1.00 72.15 C ATOM 387 C GLU A 24 13.866 -10.507 -14.602 1.00 50.33 C ATOM 388 O GLU A 24 14.611 -9.668 -14.097 1.00 53.12 O ATOM 389 CB GLU A 24 14.181 -12.982 -14.415 1.00 52.33 C ATOM 390 CG GLU A 24 14.089 -14.276 -15.207 1.00 1.52 C ATOM 391 CD GLU A 24 12.735 -14.463 -15.863 1.00 32.44 C ATOM 392 OE1 GLU A 24 11.735 -13.950 -15.319 1.00 1.34 O ATOM 393 OE2 GLU A 24 12.675 -15.124 -16.921 1.00 23.44 O ATOM 0 H GLU A 24 16.463 -11.887 -14.773 1.00 34.10 H new ATOM 0 HA GLU A 24 13.930 -11.878 -16.242 1.00 72.15 H new ATOM 0 HB2 GLU A 24 14.983 -13.071 -13.682 1.00 52.33 H new ATOM 0 HB3 GLU A 24 13.255 -12.840 -13.858 1.00 52.33 H new ATOM 0 HG2 GLU A 24 14.864 -14.285 -15.973 1.00 1.52 H new ATOM 0 HG3 GLU A 24 14.287 -15.118 -14.544 1.00 1.52 H new ATOM 400 N ASN A 25 12.541 -10.398 -14.593 1.00 4.50 N ATOM 401 CA ASN A 25 11.873 -9.259 -13.974 1.00 52.54 C ATOM 402 C ASN A 25 11.129 -9.684 -12.712 1.00 72.22 C ATOM 403 O ASN A 25 10.341 -10.631 -12.732 1.00 24.30 O ATOM 404 CB ASN A 25 10.898 -8.615 -14.962 1.00 54.01 C ATOM 405 CG ASN A 25 11.575 -8.193 -16.252 1.00 21.04 C ATOM 406 OD1 ASN A 25 11.970 -9.032 -17.062 1.00 15.21 O ATOM 407 ND2 ASN A 25 11.713 -6.887 -16.447 1.00 43.12 N ATOM 0 H ASN A 25 11.910 -11.084 -15.007 1.00 4.50 H new ATOM 0 HA ASN A 25 12.634 -8.530 -13.697 1.00 52.54 H new ATOM 0 HB2 ASN A 25 10.097 -9.319 -15.189 1.00 54.01 H new ATOM 0 HB3 ASN A 25 10.435 -7.745 -14.496 1.00 54.01 H new ATOM 0 HD21 ASN A 25 12.162 -6.543 -17.296 1.00 43.12 H new ATOM 0 HD22 ASN A 25 11.370 -6.228 -15.748 1.00 43.12 H new ATOM 414 N LEU A 26 11.383 -8.978 -11.616 1.00 30.40 N ATOM 415 CA LEU A 26 10.737 -9.282 -10.344 1.00 1.13 C ATOM 416 C LEU A 26 10.099 -8.032 -9.745 1.00 71.42 C ATOM 417 O LEU A 26 10.610 -6.924 -9.906 1.00 24.43 O ATOM 418 CB LEU A 26 11.752 -9.871 -9.362 1.00 14.52 C ATOM 419 CG LEU A 26 12.533 -11.089 -9.854 1.00 62.11 C ATOM 420 CD1 LEU A 26 13.989 -11.000 -9.422 1.00 53.24 C ATOM 421 CD2 LEU A 26 11.900 -12.373 -9.338 1.00 53.04 C ATOM 0 H LEU A 26 12.031 -8.191 -11.582 1.00 30.40 H new ATOM 0 HA LEU A 26 9.952 -10.015 -10.529 1.00 1.13 H new ATOM 0 HB2 LEU A 26 12.465 -9.091 -9.096 1.00 14.52 H new ATOM 0 HB3 LEU A 26 11.226 -10.147 -8.448 1.00 14.52 H new ATOM 0 HG LEU A 26 12.498 -11.102 -10.943 1.00 62.11 H new ATOM 0 HD11 LEU A 26 14.529 -11.876 -9.781 1.00 53.24 H new ATOM 0 HD12 LEU A 26 14.438 -10.099 -9.841 1.00 53.24 H new ATOM 0 HD13 LEU A 26 14.044 -10.961 -8.334 1.00 53.24 H new ATOM 0 HD21 LEU A 26 12.469 -13.230 -9.698 1.00 53.04 H new ATOM 0 HD22 LEU A 26 11.903 -12.368 -8.248 1.00 53.04 H new ATOM 0 HD23 LEU A 26 10.873 -12.443 -9.698 1.00 53.04 H new ATOM 433 N SER A 27 8.980 -8.219 -9.053 1.00 32.41 N ATOM 434 CA SER A 27 8.271 -7.107 -8.431 1.00 74.22 C ATOM 435 C SER A 27 8.660 -6.967 -6.963 1.00 22.43 C ATOM 436 O SER A 27 8.523 -7.909 -6.181 1.00 13.53 O ATOM 437 CB SER A 27 6.759 -7.307 -8.553 1.00 33.03 C ATOM 438 OG SER A 27 6.128 -6.138 -9.045 1.00 53.24 O ATOM 0 H SER A 27 8.545 -9.130 -8.909 1.00 32.41 H new ATOM 0 HA SER A 27 8.553 -6.192 -8.952 1.00 74.22 H new ATOM 0 HB2 SER A 27 6.552 -8.144 -9.220 1.00 33.03 H new ATOM 0 HB3 SER A 27 6.344 -7.566 -7.579 1.00 33.03 H new ATOM 0 HG SER A 27 6.297 -6.055 -10.007 1.00 53.24 H new ATOM 444 N ILE A 28 9.147 -5.787 -6.596 1.00 53.42 N ATOM 445 CA ILE A 28 9.555 -5.522 -5.222 1.00 63.42 C ATOM 446 C ILE A 28 8.348 -5.451 -4.294 1.00 32.03 C ATOM 447 O ILE A 28 7.283 -4.968 -4.680 1.00 13.23 O ATOM 448 CB ILE A 28 10.350 -4.208 -5.114 1.00 43.21 C ATOM 449 CG1 ILE A 28 11.628 -4.289 -5.952 1.00 52.42 C ATOM 450 CG2 ILE A 28 10.682 -3.908 -3.660 1.00 43.31 C ATOM 451 CD1 ILE A 28 12.634 -5.287 -5.425 1.00 23.11 C ATOM 0 H ILE A 28 9.269 -4.998 -7.231 1.00 53.42 H new ATOM 0 HA ILE A 28 10.195 -6.350 -4.918 1.00 63.42 H new ATOM 0 HB ILE A 28 9.735 -3.396 -5.501 1.00 43.21 H new ATOM 0 HG12 ILE A 28 11.365 -4.556 -6.976 1.00 52.42 H new ATOM 0 HG13 ILE A 28 12.092 -3.303 -5.989 1.00 52.42 H new ATOM 0 HG21 ILE A 28 11.244 -2.976 -3.600 1.00 43.31 H new ATOM 0 HG22 ILE A 28 9.759 -3.812 -3.088 1.00 43.31 H new ATOM 0 HG23 ILE A 28 11.281 -4.720 -3.249 1.00 43.31 H new ATOM 0 HD11 ILE A 28 13.514 -5.291 -6.068 1.00 23.11 H new ATOM 0 HD12 ILE A 28 12.926 -5.009 -4.412 1.00 23.11 H new ATOM 0 HD13 ILE A 28 12.188 -6.282 -5.414 1.00 23.11 H new ATOM 463 N CYS A 29 8.522 -5.933 -3.068 1.00 74.33 N ATOM 464 CA CYS A 29 7.446 -5.923 -2.083 1.00 61.40 C ATOM 465 C CYS A 29 7.892 -5.234 -0.798 1.00 24.23 C ATOM 466 O CYS A 29 7.115 -4.525 -0.160 1.00 1.21 O ATOM 467 CB CYS A 29 6.992 -7.352 -1.779 1.00 11.22 C ATOM 468 SG CYS A 29 6.685 -8.358 -3.250 1.00 3.15 S ATOM 0 H CYS A 29 9.397 -6.335 -2.733 1.00 74.33 H new ATOM 0 HA CYS A 29 6.609 -5.365 -2.501 1.00 61.40 H new ATOM 0 HB2 CYS A 29 7.752 -7.841 -1.170 1.00 11.22 H new ATOM 0 HB3 CYS A 29 6.081 -7.313 -1.182 1.00 11.22 H new ATOM 0 HG CYS A 29 7.509 -8.010 -4.194 1.00 3.15 H new ATOM 474 N ALA A 30 9.149 -5.449 -0.423 1.00 21.42 N ATOM 475 CA ALA A 30 9.699 -4.849 0.786 1.00 1.31 C ATOM 476 C ALA A 30 11.162 -5.236 0.975 1.00 41.54 C ATOM 477 O ALA A 30 11.688 -6.084 0.253 1.00 5.52 O ATOM 478 CB ALA A 30 8.881 -5.263 2.000 1.00 1.33 C ATOM 0 H ALA A 30 9.805 -6.034 -0.939 1.00 21.42 H new ATOM 0 HA ALA A 30 9.648 -3.765 0.679 1.00 1.31 H new ATOM 0 HB1 ALA A 30 9.303 -4.808 2.896 1.00 1.33 H new ATOM 0 HB2 ALA A 30 7.851 -4.930 1.875 1.00 1.33 H new ATOM 0 HB3 ALA A 30 8.902 -6.348 2.100 1.00 1.33 H new ATOM 484 N HIS A 31 11.815 -4.608 1.948 1.00 34.21 N ATOM 485 CA HIS A 31 13.218 -4.887 2.231 1.00 20.22 C ATOM 486 C HIS A 31 13.408 -5.294 3.689 1.00 13.04 C ATOM 487 O HIS A 31 12.457 -5.298 4.472 1.00 71.44 O ATOM 488 CB HIS A 31 14.077 -3.663 1.915 1.00 1.42 C ATOM 489 CG HIS A 31 13.986 -2.584 2.950 1.00 10.22 C ATOM 490 ND1 HIS A 31 15.077 -2.126 3.658 1.00 21.02 N ATOM 491 CD2 HIS A 31 12.925 -1.870 3.394 1.00 31.43 C ATOM 492 CE1 HIS A 31 14.691 -1.179 4.494 1.00 11.12 C ATOM 493 NE2 HIS A 31 13.389 -1.004 4.353 1.00 22.34 N ATOM 0 H HIS A 31 11.395 -3.903 2.553 1.00 34.21 H new ATOM 0 HA HIS A 31 13.533 -5.716 1.597 1.00 20.22 H new ATOM 0 HB2 HIS A 31 15.117 -3.975 1.817 1.00 1.42 H new ATOM 0 HB3 HIS A 31 13.774 -3.256 0.950 1.00 1.42 H new ATOM 0 HD2 HIS A 31 11.903 -1.964 3.057 1.00 31.43 H new ATOM 0 HE1 HIS A 31 15.331 -0.640 5.177 1.00 11.12 H new ATOM 0 HE2 HIS A 31 12.821 -0.334 4.872 1.00 22.34 H new ATOM 501 N TYR A 32 14.640 -5.636 4.048 1.00 44.55 N ATOM 502 CA TYR A 32 14.954 -6.047 5.411 1.00 51.12 C ATOM 503 C TYR A 32 16.374 -5.639 5.790 1.00 64.32 C ATOM 504 O TYR A 32 17.345 -6.278 5.382 1.00 1.42 O ATOM 505 CB TYR A 32 14.789 -7.560 5.560 1.00 73.31 C ATOM 506 CG TYR A 32 14.698 -8.021 6.997 1.00 3.22 C ATOM 507 CD1 TYR A 32 13.536 -7.834 7.735 1.00 11.42 C ATOM 508 CD2 TYR A 32 15.775 -8.642 7.618 1.00 60.15 C ATOM 509 CE1 TYR A 32 13.449 -8.252 9.049 1.00 72.01 C ATOM 510 CE2 TYR A 32 15.696 -9.065 8.930 1.00 23.12 C ATOM 511 CZ TYR A 32 14.531 -8.868 9.642 1.00 43.33 C ATOM 512 OH TYR A 32 14.449 -9.286 10.950 1.00 25.30 O ATOM 0 H TYR A 32 15.438 -5.637 3.413 1.00 44.55 H new ATOM 0 HA TYR A 32 14.260 -5.544 6.084 1.00 51.12 H new ATOM 0 HB2 TYR A 32 13.890 -7.873 5.029 1.00 73.31 H new ATOM 0 HB3 TYR A 32 15.632 -8.058 5.080 1.00 73.31 H new ATOM 0 HD1 TYR A 32 12.686 -7.354 7.274 1.00 11.42 H new ATOM 0 HD2 TYR A 32 16.690 -8.796 7.065 1.00 60.15 H new ATOM 0 HE1 TYR A 32 12.538 -8.097 9.609 1.00 72.01 H new ATOM 0 HE2 TYR A 32 16.542 -9.548 9.396 1.00 23.12 H new ATOM 0 HH TYR A 32 15.296 -9.701 11.215 1.00 25.30 H new ATOM 522 N ASP A 33 16.487 -4.572 6.573 1.00 64.31 N ATOM 523 CA ASP A 33 17.788 -4.079 7.010 1.00 43.33 C ATOM 524 C ASP A 33 18.652 -3.690 5.814 1.00 54.14 C ATOM 525 O ASP A 33 19.873 -3.579 5.926 1.00 14.04 O ATOM 526 CB ASP A 33 18.504 -5.139 7.848 1.00 4.43 C ATOM 527 CG ASP A 33 18.248 -4.973 9.333 1.00 14.22 C ATOM 528 OD1 ASP A 33 17.181 -4.433 9.695 1.00 74.54 O ATOM 529 OD2 ASP A 33 19.113 -5.383 10.134 1.00 44.01 O ATOM 0 H ASP A 33 15.694 -4.032 6.918 1.00 64.31 H new ATOM 0 HA ASP A 33 17.625 -3.192 7.622 1.00 43.33 H new ATOM 0 HB2 ASP A 33 18.175 -6.130 7.534 1.00 4.43 H new ATOM 0 HB3 ASP A 33 19.576 -5.084 7.659 1.00 4.43 H new ATOM 534 N TYR A 34 18.010 -3.485 4.669 1.00 75.30 N ATOM 535 CA TYR A 34 18.719 -3.112 3.451 1.00 71.41 C ATOM 536 C TYR A 34 19.703 -4.202 3.038 1.00 25.44 C ATOM 537 O TYR A 34 20.643 -3.952 2.284 1.00 11.34 O ATOM 538 CB TYR A 34 19.460 -1.790 3.652 1.00 41.41 C ATOM 539 CG TYR A 34 18.580 -0.675 4.170 1.00 54.34 C ATOM 540 CD1 TYR A 34 18.328 -0.536 5.529 1.00 21.32 C ATOM 541 CD2 TYR A 34 17.999 0.239 3.300 1.00 55.44 C ATOM 542 CE1 TYR A 34 17.524 0.480 6.007 1.00 52.31 C ATOM 543 CE2 TYR A 34 17.194 1.260 3.768 1.00 21.25 C ATOM 544 CZ TYR A 34 16.960 1.376 5.123 1.00 54.03 C ATOM 545 OH TYR A 34 16.158 2.390 5.594 1.00 53.44 O ATOM 0 H TYR A 34 17.000 -3.571 4.559 1.00 75.30 H new ATOM 0 HA TYR A 34 17.984 -2.991 2.655 1.00 71.41 H new ATOM 0 HB2 TYR A 34 20.282 -1.947 4.350 1.00 41.41 H new ATOM 0 HB3 TYR A 34 19.901 -1.483 2.704 1.00 41.41 H new ATOM 0 HD1 TYR A 34 18.769 -1.235 6.224 1.00 21.32 H new ATOM 0 HD2 TYR A 34 18.180 0.150 2.239 1.00 55.44 H new ATOM 0 HE1 TYR A 34 17.338 0.572 7.067 1.00 52.31 H new ATOM 0 HE2 TYR A 34 16.751 1.963 3.078 1.00 21.25 H new ATOM 0 HH TYR A 34 15.842 2.933 4.842 1.00 53.44 H new ATOM 555 N GLU A 35 19.479 -5.413 3.539 1.00 64.40 N ATOM 556 CA GLU A 35 20.347 -6.542 3.223 1.00 34.30 C ATOM 557 C GLU A 35 19.563 -7.653 2.529 1.00 41.43 C ATOM 558 O GLU A 35 20.132 -8.664 2.117 1.00 12.14 O ATOM 559 CB GLU A 35 21.000 -7.084 4.496 1.00 4.21 C ATOM 560 CG GLU A 35 20.124 -6.958 5.731 1.00 22.10 C ATOM 561 CD GLU A 35 20.812 -7.456 6.987 1.00 1.45 C ATOM 562 OE1 GLU A 35 22.056 -7.366 7.057 1.00 31.01 O ATOM 563 OE2 GLU A 35 20.108 -7.934 7.900 1.00 35.25 O ATOM 0 H GLU A 35 18.705 -5.637 4.164 1.00 64.40 H new ATOM 0 HA GLU A 35 21.125 -6.191 2.545 1.00 34.30 H new ATOM 0 HB2 GLU A 35 21.253 -8.134 4.346 1.00 4.21 H new ATOM 0 HB3 GLU A 35 21.936 -6.552 4.669 1.00 4.21 H new ATOM 0 HG2 GLU A 35 19.841 -5.914 5.866 1.00 22.10 H new ATOM 0 HG3 GLU A 35 19.203 -7.521 5.578 1.00 22.10 H new ATOM 570 N TRP A 36 18.256 -7.456 2.403 1.00 52.01 N ATOM 571 CA TRP A 36 17.393 -8.441 1.759 1.00 5.52 C ATOM 572 C TRP A 36 16.183 -7.769 1.121 1.00 75.01 C ATOM 573 O TRP A 36 15.555 -6.897 1.723 1.00 61.24 O ATOM 574 CB TRP A 36 16.935 -9.489 2.774 1.00 11.45 C ATOM 575 CG TRP A 36 18.068 -10.243 3.403 1.00 54.43 C ATOM 576 CD1 TRP A 36 18.612 -10.026 4.637 1.00 74.45 C ATOM 577 CD2 TRP A 36 18.796 -11.332 2.826 1.00 32.22 C ATOM 578 NE1 TRP A 36 19.634 -10.916 4.862 1.00 62.21 N ATOM 579 CE2 TRP A 36 19.767 -11.728 3.767 1.00 74.51 C ATOM 580 CE3 TRP A 36 18.721 -12.013 1.608 1.00 20.12 C ATOM 581 CZ2 TRP A 36 20.654 -12.773 3.525 1.00 64.32 C ATOM 582 CZ3 TRP A 36 19.603 -13.050 1.369 1.00 1.33 C ATOM 583 CH2 TRP A 36 20.559 -13.422 2.324 1.00 72.41 C ATOM 0 H TRP A 36 17.770 -6.624 2.738 1.00 52.01 H new ATOM 0 HA TRP A 36 17.967 -8.933 0.974 1.00 5.52 H new ATOM 0 HB2 TRP A 36 16.356 -8.998 3.556 1.00 11.45 H new ATOM 0 HB3 TRP A 36 16.268 -10.195 2.280 1.00 11.45 H new ATOM 0 HD1 TRP A 36 18.287 -9.267 5.333 1.00 74.45 H new ATOM 0 HE1 TRP A 36 20.202 -10.964 5.708 1.00 62.21 H new ATOM 0 HE3 TRP A 36 17.987 -11.734 0.867 1.00 20.12 H new ATOM 0 HZ2 TRP A 36 21.391 -13.062 4.259 1.00 64.32 H new ATOM 0 HZ3 TRP A 36 19.555 -13.583 0.431 1.00 1.33 H new ATOM 0 HH2 TRP A 36 21.234 -14.237 2.108 1.00 72.41 H new ATOM 594 N PHE A 37 15.859 -8.180 -0.101 1.00 34.25 N ATOM 595 CA PHE A 37 14.722 -7.617 -0.820 1.00 63.25 C ATOM 596 C PHE A 37 13.701 -8.700 -1.157 1.00 43.13 C ATOM 597 O PHE A 37 14.062 -9.846 -1.428 1.00 3.35 O ATOM 598 CB PHE A 37 15.194 -6.929 -2.103 1.00 3.21 C ATOM 599 CG PHE A 37 15.085 -5.431 -2.054 1.00 64.54 C ATOM 600 CD1 PHE A 37 13.889 -4.821 -1.713 1.00 70.44 C ATOM 601 CD2 PHE A 37 16.179 -4.634 -2.349 1.00 65.13 C ATOM 602 CE1 PHE A 37 13.786 -3.444 -1.669 1.00 10.10 C ATOM 603 CE2 PHE A 37 16.083 -3.256 -2.306 1.00 54.00 C ATOM 604 CZ PHE A 37 14.884 -2.660 -1.964 1.00 64.34 C ATOM 0 H PHE A 37 16.368 -8.900 -0.614 1.00 34.25 H new ATOM 0 HA PHE A 37 14.244 -6.880 -0.174 1.00 63.25 H new ATOM 0 HB2 PHE A 37 16.232 -7.204 -2.293 1.00 3.21 H new ATOM 0 HB3 PHE A 37 14.607 -7.301 -2.943 1.00 3.21 H new ATOM 0 HD1 PHE A 37 13.027 -5.429 -1.479 1.00 70.44 H new ATOM 0 HD2 PHE A 37 17.118 -5.095 -2.616 1.00 65.13 H new ATOM 0 HE1 PHE A 37 12.847 -2.981 -1.404 1.00 10.10 H new ATOM 0 HE2 PHE A 37 16.943 -2.646 -2.539 1.00 54.00 H new ATOM 0 HZ PHE A 37 14.806 -1.583 -1.927 1.00 64.34 H new ATOM 614 N ILE A 38 12.426 -8.328 -1.138 1.00 73.24 N ATOM 615 CA ILE A 38 11.353 -9.267 -1.442 1.00 55.51 C ATOM 616 C ILE A 38 10.849 -9.082 -2.869 1.00 75.14 C ATOM 617 O ILE A 38 9.992 -8.238 -3.132 1.00 21.31 O ATOM 618 CB ILE A 38 10.171 -9.105 -0.468 1.00 30.05 C ATOM 619 CG1 ILE A 38 10.676 -9.048 0.976 1.00 40.54 C ATOM 620 CG2 ILE A 38 9.180 -10.246 -0.643 1.00 22.24 C ATOM 621 CD1 ILE A 38 11.498 -10.253 1.377 1.00 55.32 C ATOM 0 H ILE A 38 12.111 -7.384 -0.916 1.00 73.24 H new ATOM 0 HA ILE A 38 11.769 -10.268 -1.333 1.00 55.51 H new ATOM 0 HB ILE A 38 9.660 -8.168 -0.692 1.00 30.05 H new ATOM 0 HG12 ILE A 38 11.277 -8.148 1.107 1.00 40.54 H new ATOM 0 HG13 ILE A 38 9.822 -8.961 1.648 1.00 40.54 H new ATOM 0 HG21 ILE A 38 8.350 -10.117 0.052 1.00 22.24 H new ATOM 0 HG22 ILE A 38 8.801 -10.245 -1.665 1.00 22.24 H new ATOM 0 HG23 ILE A 38 9.678 -11.195 -0.442 1.00 22.24 H new ATOM 0 HD11 ILE A 38 11.822 -10.144 2.412 1.00 55.32 H new ATOM 0 HD12 ILE A 38 10.894 -11.155 1.279 1.00 55.32 H new ATOM 0 HD13 ILE A 38 12.371 -10.329 0.729 1.00 55.32 H new ATOM 633 N ALA A 39 11.385 -9.879 -3.788 1.00 51.20 N ATOM 634 CA ALA A 39 10.987 -9.806 -5.188 1.00 71.34 C ATOM 635 C ALA A 39 10.194 -11.043 -5.599 1.00 3.25 C ATOM 636 O ALA A 39 10.570 -12.170 -5.275 1.00 41.31 O ATOM 637 CB ALA A 39 12.211 -9.643 -6.077 1.00 40.12 C ATOM 0 H ALA A 39 12.096 -10.582 -3.588 1.00 51.20 H new ATOM 0 HA ALA A 39 10.343 -8.936 -5.312 1.00 71.34 H new ATOM 0 HB1 ALA A 39 11.899 -9.590 -7.120 1.00 40.12 H new ATOM 0 HB2 ALA A 39 12.736 -8.727 -5.808 1.00 40.12 H new ATOM 0 HB3 ALA A 39 12.876 -10.496 -5.940 1.00 40.12 H new ATOM 643 N LYS A 40 9.095 -10.825 -6.312 1.00 73.20 N ATOM 644 CA LYS A 40 8.248 -11.921 -6.767 1.00 61.45 C ATOM 645 C LYS A 40 8.323 -12.073 -8.283 1.00 70.04 C ATOM 646 O LYS A 40 8.653 -11.135 -9.010 1.00 21.24 O ATOM 647 CB LYS A 40 6.798 -11.685 -6.339 1.00 21.31 C ATOM 648 CG LYS A 40 6.323 -10.260 -6.560 1.00 51.30 C ATOM 649 CD LYS A 40 4.889 -10.071 -6.094 1.00 20.31 C ATOM 650 CE LYS A 40 4.273 -8.811 -6.682 1.00 71.21 C ATOM 651 NZ LYS A 40 2.785 -8.846 -6.631 1.00 50.53 N ATOM 0 H LYS A 40 8.769 -9.898 -6.588 1.00 73.20 H new ATOM 0 HA LYS A 40 8.610 -12.841 -6.308 1.00 61.45 H new ATOM 0 HB2 LYS A 40 6.150 -12.365 -6.892 1.00 21.31 H new ATOM 0 HB3 LYS A 40 6.695 -11.934 -5.283 1.00 21.31 H new ATOM 0 HG2 LYS A 40 6.975 -9.571 -6.023 1.00 51.30 H new ATOM 0 HG3 LYS A 40 6.398 -10.010 -7.618 1.00 51.30 H new ATOM 0 HD2 LYS A 40 4.294 -10.937 -6.384 1.00 20.31 H new ATOM 0 HD3 LYS A 40 4.863 -10.016 -5.006 1.00 20.31 H new ATOM 0 HE2 LYS A 40 4.635 -7.940 -6.135 1.00 71.21 H new ATOM 0 HE3 LYS A 40 4.598 -8.696 -7.716 1.00 71.21 H new ATOM 0 HZ1 LYS A 40 2.403 -7.970 -7.041 1.00 50.53 H new ATOM 0 HZ2 LYS A 40 2.438 -9.662 -7.174 1.00 50.53 H new ATOM 0 HZ3 LYS A 40 2.473 -8.930 -5.642 1.00 50.53 H new ATOM 665 N PRO A 41 8.008 -13.281 -8.775 1.00 2.15 N ATOM 666 CA PRO A 41 8.031 -13.583 -10.209 1.00 14.41 C ATOM 667 C PRO A 41 6.913 -12.875 -10.968 1.00 4.44 C ATOM 668 O PRO A 41 5.732 -13.143 -10.745 1.00 4.11 O ATOM 669 CB PRO A 41 7.831 -15.099 -10.255 1.00 73.54 C ATOM 670 CG PRO A 41 7.109 -15.425 -8.993 1.00 61.45 C ATOM 671 CD PRO A 41 7.606 -14.445 -7.967 1.00 52.13 C ATOM 0 HA PRO A 41 8.954 -13.246 -10.682 1.00 14.41 H new ATOM 0 HB2 PRO A 41 7.252 -15.395 -11.130 1.00 73.54 H new ATOM 0 HB3 PRO A 41 8.785 -15.623 -10.312 1.00 73.54 H new ATOM 0 HG2 PRO A 41 6.031 -15.337 -9.126 1.00 61.45 H new ATOM 0 HG3 PRO A 41 7.309 -16.450 -8.682 1.00 61.45 H new ATOM 0 HD2 PRO A 41 6.828 -14.186 -7.248 1.00 52.13 H new ATOM 0 HD3 PRO A 41 8.444 -14.848 -7.398 1.00 52.13 H new ATOM 679 N ILE A 42 7.294 -11.971 -11.864 1.00 52.40 N ATOM 680 CA ILE A 42 6.323 -11.226 -12.656 1.00 43.24 C ATOM 681 C ILE A 42 5.675 -12.116 -13.711 1.00 20.42 C ATOM 682 O ILE A 42 4.496 -11.963 -14.028 1.00 4.20 O ATOM 683 CB ILE A 42 6.974 -10.016 -13.352 1.00 44.03 C ATOM 684 CG1 ILE A 42 7.662 -9.117 -12.323 1.00 13.32 C ATOM 685 CG2 ILE A 42 5.933 -9.232 -14.137 1.00 33.33 C ATOM 686 CD1 ILE A 42 8.343 -7.912 -12.932 1.00 41.53 C ATOM 0 H ILE A 42 8.267 -11.737 -12.060 1.00 52.40 H new ATOM 0 HA ILE A 42 5.559 -10.870 -11.965 1.00 43.24 H new ATOM 0 HB ILE A 42 7.728 -10.380 -14.050 1.00 44.03 H new ATOM 0 HG12 ILE A 42 6.923 -8.778 -11.597 1.00 13.32 H new ATOM 0 HG13 ILE A 42 8.400 -9.704 -11.776 1.00 13.32 H new ATOM 0 HG21 ILE A 42 6.409 -8.380 -14.623 1.00 33.33 H new ATOM 0 HG22 ILE A 42 5.485 -9.877 -14.893 1.00 33.33 H new ATOM 0 HG23 ILE A 42 5.158 -8.876 -13.459 1.00 33.33 H new ATOM 0 HD11 ILE A 42 8.809 -7.321 -12.144 1.00 41.53 H new ATOM 0 HD12 ILE A 42 9.106 -8.243 -13.637 1.00 41.53 H new ATOM 0 HD13 ILE A 42 7.606 -7.303 -13.455 1.00 41.53 H new ATOM 769 N PRO A 47 5.873 -15.628 -4.051 1.00 4.42 N ATOM 770 CA PRO A 47 6.905 -14.687 -3.603 1.00 32.35 C ATOM 771 C PRO A 47 8.020 -15.378 -2.824 1.00 53.41 C ATOM 772 O PRO A 47 7.780 -16.347 -2.106 1.00 21.13 O ATOM 773 CB PRO A 47 6.136 -13.724 -2.695 1.00 2.12 C ATOM 774 CG PRO A 47 4.968 -14.511 -2.210 1.00 52.10 C ATOM 775 CD PRO A 47 4.601 -15.442 -3.332 1.00 64.14 C ATOM 0 HA PRO A 47 7.403 -14.199 -4.440 1.00 32.35 H new ATOM 0 HB2 PRO A 47 6.755 -13.383 -1.865 1.00 2.12 H new ATOM 0 HB3 PRO A 47 5.816 -12.836 -3.240 1.00 2.12 H new ATOM 0 HG2 PRO A 47 5.220 -15.068 -1.308 1.00 52.10 H new ATOM 0 HG3 PRO A 47 4.134 -13.856 -1.958 1.00 52.10 H new ATOM 0 HD2 PRO A 47 4.209 -16.388 -2.958 1.00 64.14 H new ATOM 0 HD3 PRO A 47 3.834 -15.012 -3.976 1.00 64.14 H new ATOM 783 N GLY A 48 9.240 -14.871 -2.972 1.00 1.33 N ATOM 784 CA GLY A 48 10.374 -15.451 -2.276 1.00 34.21 C ATOM 785 C GLY A 48 11.247 -14.403 -1.616 1.00 25.11 C ATOM 786 O GLY A 48 10.790 -13.298 -1.322 1.00 41.23 O ATOM 0 H GLY A 48 9.463 -14.069 -3.561 1.00 1.33 H new ATOM 0 HA2 GLY A 48 10.014 -16.148 -1.520 1.00 34.21 H new ATOM 0 HA3 GLY A 48 10.973 -16.027 -2.981 1.00 34.21 H new ATOM 790 N LEU A 49 12.508 -14.750 -1.380 1.00 41.42 N ATOM 791 CA LEU A 49 13.449 -13.831 -0.749 1.00 12.44 C ATOM 792 C LEU A 49 14.756 -13.765 -1.533 1.00 34.25 C ATOM 793 O LEU A 49 15.396 -14.787 -1.778 1.00 61.35 O ATOM 794 CB LEU A 49 13.726 -14.264 0.692 1.00 41.20 C ATOM 795 CG LEU A 49 14.046 -13.142 1.681 1.00 53.25 C ATOM 796 CD1 LEU A 49 13.719 -13.574 3.102 1.00 44.42 C ATOM 797 CD2 LEU A 49 15.507 -12.732 1.568 1.00 52.01 C ATOM 0 H LEU A 49 12.902 -15.661 -1.616 1.00 41.42 H new ATOM 0 HA LEU A 49 13.000 -12.838 -0.744 1.00 12.44 H new ATOM 0 HB2 LEU A 49 12.856 -14.808 1.060 1.00 41.20 H new ATOM 0 HB3 LEU A 49 14.561 -14.964 0.685 1.00 41.20 H new ATOM 0 HG LEU A 49 13.428 -12.279 1.435 1.00 53.25 H new ATOM 0 HD11 LEU A 49 13.953 -12.763 3.792 1.00 44.42 H new ATOM 0 HD12 LEU A 49 12.659 -13.817 3.174 1.00 44.42 H new ATOM 0 HD13 LEU A 49 14.310 -14.452 3.360 1.00 44.42 H new ATOM 0 HD21 LEU A 49 15.717 -11.933 2.279 1.00 52.01 H new ATOM 0 HD22 LEU A 49 16.143 -13.589 1.788 1.00 52.01 H new ATOM 0 HD23 LEU A 49 15.709 -12.380 0.556 1.00 52.01 H new ATOM 809 N VAL A 50 15.147 -12.556 -1.921 1.00 12.41 N ATOM 810 CA VAL A 50 16.379 -12.356 -2.674 1.00 2.20 C ATOM 811 C VAL A 50 17.149 -11.145 -2.157 1.00 72.45 C ATOM 812 O VAL A 50 16.590 -10.071 -1.937 1.00 34.04 O ATOM 813 CB VAL A 50 16.095 -12.167 -4.176 1.00 12.11 C ATOM 814 CG1 VAL A 50 15.161 -10.987 -4.398 1.00 45.35 C ATOM 815 CG2 VAL A 50 17.394 -11.982 -4.945 1.00 4.14 C ATOM 0 H VAL A 50 14.628 -11.700 -1.726 1.00 12.41 H new ATOM 0 HA VAL A 50 16.983 -13.253 -2.536 1.00 2.20 H new ATOM 0 HB VAL A 50 15.603 -13.065 -4.551 1.00 12.11 H new ATOM 0 HG11 VAL A 50 14.972 -10.869 -5.465 1.00 45.35 H new ATOM 0 HG12 VAL A 50 14.219 -11.166 -3.880 1.00 45.35 H new ATOM 0 HG13 VAL A 50 15.622 -10.079 -4.009 1.00 45.35 H new ATOM 0 HG21 VAL A 50 17.174 -11.850 -6.004 1.00 4.14 H new ATOM 0 HG22 VAL A 50 17.916 -11.102 -4.570 1.00 4.14 H new ATOM 0 HG23 VAL A 50 18.024 -12.862 -4.812 1.00 4.14 H new ATOM 825 N PRO A 51 18.464 -11.321 -1.960 1.00 11.31 N ATOM 826 CA PRO A 51 19.340 -10.253 -1.468 1.00 34.01 C ATOM 827 C PRO A 51 19.542 -9.148 -2.499 1.00 63.10 C ATOM 828 O PRO A 51 19.404 -9.374 -3.701 1.00 62.23 O ATOM 829 CB PRO A 51 20.660 -10.976 -1.193 1.00 24.24 C ATOM 830 CG PRO A 51 20.639 -12.161 -2.096 1.00 10.23 C ATOM 831 CD PRO A 51 19.197 -12.574 -2.202 1.00 62.41 C ATOM 0 HA PRO A 51 18.922 -9.753 -0.594 1.00 34.01 H new ATOM 0 HB2 PRO A 51 21.515 -10.333 -1.404 1.00 24.24 H new ATOM 0 HB3 PRO A 51 20.737 -11.276 -0.148 1.00 24.24 H new ATOM 0 HG2 PRO A 51 21.047 -11.913 -3.076 1.00 10.23 H new ATOM 0 HG3 PRO A 51 21.248 -12.970 -1.693 1.00 10.23 H new ATOM 0 HD2 PRO A 51 18.969 -12.989 -3.184 1.00 62.41 H new ATOM 0 HD3 PRO A 51 18.942 -13.337 -1.466 1.00 62.41 H new ATOM 839 N VAL A 52 19.871 -7.952 -2.021 1.00 50.02 N ATOM 840 CA VAL A 52 20.094 -6.812 -2.902 1.00 43.21 C ATOM 841 C VAL A 52 21.356 -7.001 -3.737 1.00 74.43 C ATOM 842 O VAL A 52 21.515 -6.382 -4.789 1.00 1.32 O ATOM 843 CB VAL A 52 20.213 -5.500 -2.103 1.00 61.33 C ATOM 844 CG1 VAL A 52 20.129 -4.299 -3.033 1.00 23.30 C ATOM 845 CG2 VAL A 52 19.136 -5.431 -1.031 1.00 5.22 C ATOM 0 H VAL A 52 19.989 -7.748 -1.029 1.00 50.02 H new ATOM 0 HA VAL A 52 19.230 -6.750 -3.563 1.00 43.21 H new ATOM 0 HB VAL A 52 21.185 -5.481 -1.611 1.00 61.33 H new ATOM 0 HG11 VAL A 52 20.215 -3.381 -2.451 1.00 23.30 H new ATOM 0 HG12 VAL A 52 20.940 -4.345 -3.760 1.00 23.30 H new ATOM 0 HG13 VAL A 52 19.172 -4.309 -3.555 1.00 23.30 H new ATOM 0 HG21 VAL A 52 19.234 -4.498 -0.476 1.00 5.22 H new ATOM 0 HG22 VAL A 52 18.153 -5.472 -1.500 1.00 5.22 H new ATOM 0 HG23 VAL A 52 19.248 -6.273 -0.348 1.00 5.22 H new ATOM 855 N SER A 53 22.249 -7.863 -3.262 1.00 45.31 N ATOM 856 CA SER A 53 23.499 -8.132 -3.963 1.00 63.23 C ATOM 857 C SER A 53 23.265 -9.056 -5.155 1.00 24.03 C ATOM 858 O SER A 53 24.189 -9.359 -5.910 1.00 61.13 O ATOM 859 CB SER A 53 24.519 -8.759 -3.010 1.00 53.30 C ATOM 860 OG SER A 53 24.783 -7.903 -1.912 1.00 33.14 O ATOM 0 H SER A 53 22.130 -8.387 -2.395 1.00 45.31 H new ATOM 0 HA SER A 53 23.892 -7.184 -4.331 1.00 63.23 H new ATOM 0 HB2 SER A 53 24.143 -9.716 -2.647 1.00 53.30 H new ATOM 0 HB3 SER A 53 25.445 -8.964 -3.547 1.00 53.30 H new ATOM 0 HG SER A 53 25.436 -8.327 -1.317 1.00 33.14 H new ATOM 866 N TYR A 54 22.024 -9.500 -5.316 1.00 20.32 N ATOM 867 CA TYR A 54 21.668 -10.392 -6.413 1.00 54.32 C ATOM 868 C TYR A 54 20.519 -9.813 -7.234 1.00 62.11 C ATOM 869 O TYR A 54 19.833 -10.534 -7.958 1.00 34.52 O ATOM 870 CB TYR A 54 21.280 -11.769 -5.874 1.00 30.55 C ATOM 871 CG TYR A 54 22.467 -12.634 -5.511 1.00 15.52 C ATOM 872 CD1 TYR A 54 23.190 -12.401 -4.348 1.00 5.32 C ATOM 873 CD2 TYR A 54 22.864 -13.682 -6.331 1.00 45.22 C ATOM 874 CE1 TYR A 54 24.276 -13.187 -4.012 1.00 73.15 C ATOM 875 CE2 TYR A 54 23.947 -14.474 -6.003 1.00 64.21 C ATOM 876 CZ TYR A 54 24.650 -14.223 -4.843 1.00 51.20 C ATOM 877 OH TYR A 54 25.730 -15.009 -4.513 1.00 42.14 O ATOM 0 H TYR A 54 21.247 -9.257 -4.701 1.00 20.32 H new ATOM 0 HA TYR A 54 22.539 -10.495 -7.061 1.00 54.32 H new ATOM 0 HB2 TYR A 54 20.651 -11.641 -4.993 1.00 30.55 H new ATOM 0 HB3 TYR A 54 20.679 -12.287 -6.622 1.00 30.55 H new ATOM 0 HD1 TYR A 54 22.898 -11.592 -3.695 1.00 5.32 H new ATOM 0 HD2 TYR A 54 22.317 -13.881 -7.241 1.00 45.22 H new ATOM 0 HE1 TYR A 54 24.828 -12.992 -3.105 1.00 73.15 H new ATOM 0 HE2 TYR A 54 24.242 -15.286 -6.651 1.00 64.21 H new ATOM 0 HH TYR A 54 25.859 -15.694 -5.202 1.00 42.14 H new ATOM 887 N VAL A 55 20.317 -8.505 -7.116 1.00 51.43 N ATOM 888 CA VAL A 55 19.253 -7.827 -7.848 1.00 5.51 C ATOM 889 C VAL A 55 19.630 -6.381 -8.150 1.00 40.53 C ATOM 890 O VAL A 55 20.475 -5.794 -7.474 1.00 10.02 O ATOM 891 CB VAL A 55 17.930 -7.847 -7.061 1.00 54.10 C ATOM 892 CG1 VAL A 55 17.548 -9.273 -6.694 1.00 4.12 C ATOM 893 CG2 VAL A 55 18.036 -6.978 -5.817 1.00 41.32 C ATOM 0 H VAL A 55 20.876 -7.893 -6.521 1.00 51.43 H new ATOM 0 HA VAL A 55 19.118 -8.368 -8.785 1.00 5.51 H new ATOM 0 HB VAL A 55 17.144 -7.438 -7.696 1.00 54.10 H new ATOM 0 HG11 VAL A 55 16.610 -9.267 -6.138 1.00 4.12 H new ATOM 0 HG12 VAL A 55 17.427 -9.863 -7.603 1.00 4.12 H new ATOM 0 HG13 VAL A 55 18.332 -9.713 -6.078 1.00 4.12 H new ATOM 0 HG21 VAL A 55 17.092 -7.004 -5.273 1.00 41.32 H new ATOM 0 HG22 VAL A 55 18.834 -7.355 -5.177 1.00 41.32 H new ATOM 0 HG23 VAL A 55 18.259 -5.951 -6.108 1.00 41.32 H new ATOM 903 N ARG A 56 18.997 -5.811 -9.171 1.00 10.03 N ATOM 904 CA ARG A 56 19.266 -4.433 -9.564 1.00 30.05 C ATOM 905 C ARG A 56 17.983 -3.607 -9.561 1.00 2.41 C ATOM 906 O ARG A 56 17.103 -3.807 -10.398 1.00 14.00 O ATOM 907 CB ARG A 56 19.909 -4.392 -10.951 1.00 72.11 C ATOM 908 CG ARG A 56 19.935 -3.004 -11.570 1.00 14.03 C ATOM 909 CD ARG A 56 20.829 -2.958 -12.798 1.00 64.24 C ATOM 910 NE ARG A 56 20.464 -3.976 -13.780 1.00 22.33 N ATOM 911 CZ ARG A 56 20.794 -3.910 -15.065 1.00 31.22 C ATOM 912 NH1 ARG A 56 21.493 -2.880 -15.521 1.00 53.01 N ATOM 913 NH2 ARG A 56 20.425 -4.876 -15.896 1.00 71.22 N ATOM 0 H ARG A 56 18.294 -6.282 -9.741 1.00 10.03 H new ATOM 0 HA ARG A 56 19.956 -4.003 -8.839 1.00 30.05 H new ATOM 0 HB2 ARG A 56 20.930 -4.768 -10.880 1.00 72.11 H new ATOM 0 HB3 ARG A 56 19.366 -5.066 -11.614 1.00 72.11 H new ATOM 0 HG2 ARG A 56 18.923 -2.708 -11.845 1.00 14.03 H new ATOM 0 HG3 ARG A 56 20.289 -2.283 -10.834 1.00 14.03 H new ATOM 0 HD2 ARG A 56 20.764 -1.972 -13.257 1.00 64.24 H new ATOM 0 HD3 ARG A 56 21.867 -3.101 -12.496 1.00 64.24 H new ATOM 0 HE ARG A 56 19.926 -4.782 -13.461 1.00 22.33 H new ATOM 0 HH11 ARG A 56 21.779 -2.136 -14.885 1.00 53.01 H new ATOM 0 HH12 ARG A 56 21.745 -2.832 -16.508 1.00 53.01 H new ATOM 0 HH21 ARG A 56 19.887 -5.670 -15.548 1.00 71.22 H new ATOM 0 HH22 ARG A 56 20.679 -4.825 -16.883 1.00 71.22 H new ATOM 927 N ILE A 57 17.885 -2.679 -8.615 1.00 3.22 N ATOM 928 CA ILE A 57 16.711 -1.822 -8.504 1.00 60.41 C ATOM 929 C ILE A 57 16.571 -0.920 -9.726 1.00 25.25 C ATOM 930 O ILE A 57 17.469 -0.136 -10.036 1.00 53.00 O ATOM 931 CB ILE A 57 16.769 -0.948 -7.238 1.00 5.22 C ATOM 932 CG1 ILE A 57 16.955 -1.822 -5.996 1.00 33.12 C ATOM 933 CG2 ILE A 57 15.508 -0.106 -7.117 1.00 32.45 C ATOM 934 CD1 ILE A 57 15.790 -2.750 -5.731 1.00 60.31 C ATOM 0 H ILE A 57 18.605 -2.501 -7.914 1.00 3.22 H new ATOM 0 HA ILE A 57 15.845 -2.481 -8.441 1.00 60.41 H new ATOM 0 HB ILE A 57 17.624 -0.276 -7.317 1.00 5.22 H new ATOM 0 HG12 ILE A 57 17.862 -2.415 -6.111 1.00 33.12 H new ATOM 0 HG13 ILE A 57 17.102 -1.179 -5.128 1.00 33.12 H new ATOM 0 HG21 ILE A 57 15.564 0.506 -6.217 1.00 32.45 H new ATOM 0 HG22 ILE A 57 15.417 0.540 -7.990 1.00 32.45 H new ATOM 0 HG23 ILE A 57 14.638 -0.760 -7.057 1.00 32.45 H new ATOM 0 HD11 ILE A 57 15.990 -3.339 -4.836 1.00 60.31 H new ATOM 0 HD12 ILE A 57 14.883 -2.163 -5.584 1.00 60.31 H new ATOM 0 HD13 ILE A 57 15.656 -3.418 -6.582 1.00 60.31 H new ATOM 946 N ILE A 58 15.441 -1.036 -10.413 1.00 54.44 N ATOM 947 CA ILE A 58 15.182 -0.228 -11.599 1.00 64.11 C ATOM 948 C ILE A 58 13.758 0.316 -11.594 1.00 71.12 C ATOM 949 O ILE A 58 12.950 -0.038 -10.735 1.00 3.10 O ATOM 950 CB ILE A 58 15.407 -1.037 -12.891 1.00 13.44 C ATOM 951 CG1 ILE A 58 14.704 -2.393 -12.798 1.00 4.24 C ATOM 952 CG2 ILE A 58 16.895 -1.221 -13.148 1.00 73.12 C ATOM 953 CD1 ILE A 58 14.762 -3.192 -14.081 1.00 30.25 C ATOM 0 H ILE A 58 14.690 -1.681 -10.170 1.00 54.44 H new ATOM 0 HA ILE A 58 15.885 0.604 -11.574 1.00 64.11 H new ATOM 0 HB ILE A 58 14.980 -0.485 -13.728 1.00 13.44 H new ATOM 0 HG12 ILE A 58 15.159 -2.975 -11.996 1.00 4.24 H new ATOM 0 HG13 ILE A 58 13.661 -2.235 -12.525 1.00 4.24 H new ATOM 0 HG21 ILE A 58 17.038 -1.794 -14.064 1.00 73.12 H new ATOM 0 HG22 ILE A 58 17.370 -0.245 -13.253 1.00 73.12 H new ATOM 0 HG23 ILE A 58 17.345 -1.755 -12.312 1.00 73.12 H new ATOM 0 HD11 ILE A 58 14.244 -4.141 -13.942 1.00 30.25 H new ATOM 0 HD12 ILE A 58 14.281 -2.630 -14.882 1.00 30.25 H new ATOM 0 HD13 ILE A 58 15.802 -3.382 -14.345 1.00 30.25 H new ATOM 965 N ASP A 59 13.456 1.177 -12.560 1.00 70.40 N ATOM 966 CA ASP A 59 12.127 1.768 -12.669 1.00 64.15 C ATOM 967 C ASP A 59 11.445 1.335 -13.963 1.00 71.03 C ATOM 968 O ASP A 59 12.000 1.489 -15.052 1.00 55.52 O ATOM 969 CB ASP A 59 12.219 3.294 -12.612 1.00 74.51 C ATOM 970 CG ASP A 59 12.317 3.815 -11.192 1.00 24.41 C ATOM 971 OD1 ASP A 59 12.756 3.049 -10.309 1.00 23.03 O ATOM 972 OD2 ASP A 59 11.955 4.988 -10.963 1.00 70.14 O ATOM 0 H ASP A 59 14.113 1.481 -13.278 1.00 70.40 H new ATOM 0 HA ASP A 59 11.529 1.416 -11.829 1.00 64.15 H new ATOM 0 HB2 ASP A 59 13.090 3.624 -13.178 1.00 74.51 H new ATOM 0 HB3 ASP A 59 11.343 3.726 -13.095 1.00 74.51 H new ATOM 977 N LEU A 60 10.239 0.791 -13.837 1.00 4.52 N ATOM 978 CA LEU A 60 9.481 0.335 -14.996 1.00 74.31 C ATOM 979 C LEU A 60 9.373 1.437 -16.045 1.00 63.33 C ATOM 980 O LEU A 60 9.281 1.162 -17.241 1.00 63.52 O ATOM 981 CB LEU A 60 8.083 -0.117 -14.570 1.00 32.14 C ATOM 982 CG LEU A 60 7.690 -1.542 -14.960 1.00 72.30 C ATOM 983 CD1 LEU A 60 7.531 -1.658 -16.468 1.00 70.20 C ATOM 984 CD2 LEU A 60 8.723 -2.538 -14.453 1.00 35.24 C ATOM 0 H LEU A 60 9.766 0.655 -12.944 1.00 4.52 H new ATOM 0 HA LEU A 60 10.011 -0.509 -15.436 1.00 74.31 H new ATOM 0 HB2 LEU A 60 8.008 -0.024 -13.487 1.00 32.14 H new ATOM 0 HB3 LEU A 60 7.354 0.570 -15.000 1.00 32.14 H new ATOM 0 HG LEU A 60 6.732 -1.774 -14.495 1.00 72.30 H new ATOM 0 HD11 LEU A 60 7.251 -2.679 -16.727 1.00 70.20 H new ATOM 0 HD12 LEU A 60 6.754 -0.972 -16.806 1.00 70.20 H new ATOM 0 HD13 LEU A 60 8.474 -1.406 -16.954 1.00 70.20 H new ATOM 0 HD21 LEU A 60 8.427 -3.547 -14.740 1.00 35.24 H new ATOM 0 HD22 LEU A 60 9.695 -2.307 -14.889 1.00 35.24 H new ATOM 0 HD23 LEU A 60 8.788 -2.474 -13.367 1.00 35.24 H new ATOM 996 N MET A 61 9.388 2.685 -15.589 1.00 31.32 N ATOM 997 CA MET A 61 9.296 3.828 -16.489 1.00 13.41 C ATOM 998 C MET A 61 10.683 4.292 -16.923 1.00 73.42 C ATOM 999 O MET A 61 10.844 4.883 -17.991 1.00 72.41 O ATOM 1000 CB MET A 61 8.550 4.979 -15.811 1.00 10.42 C ATOM 1001 CG MET A 61 7.065 4.715 -15.625 1.00 13.13 C ATOM 1002 SD MET A 61 6.689 3.949 -14.036 1.00 62.55 S ATOM 1003 CE MET A 61 5.709 2.544 -14.562 1.00 3.24 C ATOM 0 H MET A 61 9.463 2.930 -14.602 1.00 31.32 H new ATOM 0 HA MET A 61 8.743 3.517 -17.375 1.00 13.41 H new ATOM 0 HB2 MET A 61 9.001 5.170 -14.837 1.00 10.42 H new ATOM 0 HB3 MET A 61 8.678 5.884 -16.405 1.00 10.42 H new ATOM 0 HG2 MET A 61 6.520 5.655 -15.709 1.00 13.13 H new ATOM 0 HG3 MET A 61 6.711 4.069 -16.428 1.00 13.13 H new ATOM 0 HE1 MET A 61 5.841 1.724 -13.856 1.00 3.24 H new ATOM 0 HE2 MET A 61 4.657 2.827 -14.597 1.00 3.24 H new ATOM 0 HE3 MET A 61 6.032 2.226 -15.553 1.00 3.24 H new ATOM 1013 N ASP A 62 11.680 4.020 -16.089 1.00 63.22 N ATOM 1014 CA ASP A 62 13.054 4.408 -16.388 1.00 12.22 C ATOM 1015 C ASP A 62 14.033 3.327 -15.943 1.00 23.33 C ATOM 1016 O ASP A 62 14.744 3.470 -14.947 1.00 74.43 O ATOM 1017 CB ASP A 62 13.392 5.733 -15.703 1.00 1.21 C ATOM 1018 CG ASP A 62 12.210 6.682 -15.662 1.00 23.00 C ATOM 1019 OD1 ASP A 62 11.762 7.117 -16.743 1.00 11.41 O ATOM 1020 OD2 ASP A 62 11.734 6.990 -14.549 1.00 23.31 O ATOM 0 H ASP A 62 11.563 3.533 -15.201 1.00 63.22 H new ATOM 0 HA ASP A 62 13.144 4.532 -17.467 1.00 12.22 H new ATOM 0 HB2 ASP A 62 13.732 5.537 -14.686 1.00 1.21 H new ATOM 0 HB3 ASP A 62 14.219 6.210 -16.229 1.00 1.21 H new ATOM 1025 N PRO A 63 14.073 2.217 -16.696 1.00 11.43 N ATOM 1026 CA PRO A 63 14.961 1.090 -16.398 1.00 32.32 C ATOM 1027 C PRO A 63 16.428 1.426 -16.643 1.00 13.42 C ATOM 1028 O PRO A 63 17.319 0.655 -16.289 1.00 72.22 O ATOM 1029 CB PRO A 63 14.492 0.003 -17.369 1.00 2.12 C ATOM 1030 CG PRO A 63 13.872 0.748 -18.500 1.00 72.01 C ATOM 1031 CD PRO A 63 13.254 1.979 -17.896 1.00 63.13 C ATOM 0 HA PRO A 63 14.909 0.796 -15.350 1.00 32.32 H new ATOM 0 HB2 PRO A 63 15.326 -0.611 -17.709 1.00 2.12 H new ATOM 0 HB3 PRO A 63 13.775 -0.668 -16.896 1.00 2.12 H new ATOM 0 HG2 PRO A 63 14.619 1.013 -19.248 1.00 72.01 H new ATOM 0 HG3 PRO A 63 13.120 0.140 -19.002 1.00 72.01 H new ATOM 0 HD2 PRO A 63 13.291 2.825 -18.582 1.00 63.13 H new ATOM 0 HD3 PRO A 63 12.206 1.820 -17.642 1.00 63.13 H new ATOM 1039 N ALA A 64 16.671 2.583 -17.250 1.00 1.31 N ATOM 1040 CA ALA A 64 18.030 3.023 -17.540 1.00 23.14 C ATOM 1041 C ALA A 64 18.488 4.085 -16.545 1.00 74.33 C ATOM 1042 O ALA A 64 19.682 4.351 -16.411 1.00 1.21 O ATOM 1043 CB ALA A 64 18.121 3.555 -18.962 1.00 51.21 C ATOM 0 H ALA A 64 15.944 3.233 -17.550 1.00 1.31 H new ATOM 0 HA ALA A 64 18.692 2.162 -17.443 1.00 23.14 H new ATOM 0 HB1 ALA A 64 19.142 3.880 -19.164 1.00 51.21 H new ATOM 0 HB2 ALA A 64 17.845 2.768 -19.663 1.00 51.21 H new ATOM 0 HB3 ALA A 64 17.442 4.399 -19.079 1.00 51.21 H new ATOM 1049 N LYS A 65 17.530 4.689 -15.850 1.00 41.33 N ATOM 1050 CA LYS A 65 17.834 5.722 -14.867 1.00 55.31 C ATOM 1051 C LYS A 65 18.446 5.114 -13.610 1.00 23.32 C ATOM 1052 O LYS A 65 19.506 5.544 -13.153 1.00 73.11 O ATOM 1053 CB LYS A 65 16.566 6.499 -14.505 1.00 35.22 C ATOM 1054 CG LYS A 65 16.840 7.879 -13.933 1.00 71.01 C ATOM 1055 CD LYS A 65 15.597 8.474 -13.292 1.00 43.35 C ATOM 1056 CE LYS A 65 14.531 8.789 -14.331 1.00 3.23 C ATOM 1057 NZ LYS A 65 14.507 10.237 -14.680 1.00 24.33 N ATOM 0 H LYS A 65 16.536 4.481 -15.949 1.00 41.33 H new ATOM 0 HA LYS A 65 18.559 6.406 -15.308 1.00 55.31 H new ATOM 0 HB2 LYS A 65 15.946 6.601 -15.396 1.00 35.22 H new ATOM 0 HB3 LYS A 65 15.991 5.922 -13.780 1.00 35.22 H new ATOM 0 HG2 LYS A 65 17.637 7.815 -13.192 1.00 71.01 H new ATOM 0 HG3 LYS A 65 17.193 8.539 -14.726 1.00 71.01 H new ATOM 0 HD2 LYS A 65 15.196 7.776 -12.557 1.00 43.35 H new ATOM 0 HD3 LYS A 65 15.863 9.384 -12.755 1.00 43.35 H new ATOM 0 HE2 LYS A 65 14.716 8.202 -15.230 1.00 3.23 H new ATOM 0 HE3 LYS A 65 13.554 8.491 -13.951 1.00 3.23 H new ATOM 0 HZ1 LYS A 65 13.768 10.411 -15.390 1.00 24.33 H new ATOM 0 HZ2 LYS A 65 14.305 10.796 -13.827 1.00 24.33 H new ATOM 0 HZ3 LYS A 65 15.431 10.516 -15.067 1.00 24.33 H new ATOM 1071 N TYR A 66 17.774 4.111 -13.056 1.00 25.50 N ATOM 1072 CA TYR A 66 18.253 3.444 -11.851 1.00 32.51 C ATOM 1073 C TYR A 66 19.046 2.189 -12.201 1.00 64.43 C ATOM 1074 O TYR A 66 19.177 1.276 -11.386 1.00 64.25 O ATOM 1075 CB TYR A 66 17.077 3.080 -10.943 1.00 74.31 C ATOM 1076 CG TYR A 66 16.398 4.279 -10.322 1.00 12.25 C ATOM 1077 CD1 TYR A 66 15.445 5.005 -11.025 1.00 75.10 C ATOM 1078 CD2 TYR A 66 16.709 4.686 -9.030 1.00 1.31 C ATOM 1079 CE1 TYR A 66 14.823 6.102 -10.461 1.00 75.12 C ATOM 1080 CE2 TYR A 66 16.091 5.781 -8.458 1.00 0.25 C ATOM 1081 CZ TYR A 66 15.149 6.486 -9.177 1.00 71.03 C ATOM 1082 OH TYR A 66 14.530 7.577 -8.612 1.00 5.44 O ATOM 0 H TYR A 66 16.896 3.742 -13.422 1.00 25.50 H new ATOM 0 HA TYR A 66 18.912 4.133 -11.323 1.00 32.51 H new ATOM 0 HB2 TYR A 66 16.344 2.516 -11.520 1.00 74.31 H new ATOM 0 HB3 TYR A 66 17.432 2.422 -10.149 1.00 74.31 H new ATOM 0 HD1 TYR A 66 15.186 4.707 -12.030 1.00 75.10 H new ATOM 0 HD2 TYR A 66 17.446 4.137 -8.464 1.00 1.31 H new ATOM 0 HE1 TYR A 66 14.085 6.656 -11.023 1.00 75.12 H new ATOM 0 HE2 TYR A 66 16.344 6.083 -7.453 1.00 0.25 H new ATOM 0 HH TYR A 66 13.951 7.281 -7.879 1.00 5.44 H new ATOM 1092 N ALA A 67 19.575 2.152 -13.420 1.00 73.22 N ATOM 1093 CA ALA A 67 20.358 1.011 -13.879 1.00 50.42 C ATOM 1094 C ALA A 67 21.825 1.161 -13.491 1.00 41.33 C ATOM 1095 O ALA A 67 22.570 0.182 -13.453 1.00 10.03 O ATOM 1096 CB ALA A 67 20.222 0.850 -15.386 1.00 43.11 C ATOM 0 H ALA A 67 19.475 2.899 -14.107 1.00 73.22 H new ATOM 0 HA ALA A 67 19.970 0.116 -13.393 1.00 50.42 H new ATOM 0 HB1 ALA A 67 20.812 -0.006 -15.715 1.00 43.11 H new ATOM 0 HB2 ALA A 67 19.175 0.689 -15.642 1.00 43.11 H new ATOM 0 HB3 ALA A 67 20.582 1.751 -15.882 1.00 43.11 H new ATOM 1102 N SER A 68 22.234 2.393 -13.205 1.00 50.34 N ATOM 1103 CA SER A 68 23.614 2.672 -12.825 1.00 32.31 C ATOM 1104 C SER A 68 23.799 2.537 -11.317 1.00 22.35 C ATOM 1105 O SER A 68 24.917 2.369 -10.829 1.00 42.02 O ATOM 1106 CB SER A 68 24.016 4.077 -13.276 1.00 12.33 C ATOM 1107 OG SER A 68 23.006 5.021 -12.965 1.00 14.15 O ATOM 0 H SER A 68 21.629 3.214 -13.229 1.00 50.34 H new ATOM 0 HA SER A 68 24.256 1.943 -13.319 1.00 32.31 H new ATOM 0 HB2 SER A 68 24.949 4.365 -12.791 1.00 12.33 H new ATOM 0 HB3 SER A 68 24.201 4.078 -14.350 1.00 12.33 H new ATOM 0 HG SER A 68 23.288 5.911 -13.262 1.00 14.15 H new ATOM 1113 N VAL A 69 22.694 2.611 -10.582 1.00 11.32 N ATOM 1114 CA VAL A 69 22.733 2.497 -9.129 1.00 35.42 C ATOM 1115 C VAL A 69 23.497 1.251 -8.696 1.00 70.41 C ATOM 1116 O VAL A 69 23.490 0.233 -9.389 1.00 54.23 O ATOM 1117 CB VAL A 69 21.314 2.448 -8.532 1.00 14.23 C ATOM 1118 CG1 VAL A 69 20.629 1.137 -8.887 1.00 51.22 C ATOM 1119 CG2 VAL A 69 21.364 2.641 -7.024 1.00 12.24 C ATOM 0 H VAL A 69 21.761 2.749 -10.969 1.00 11.32 H new ATOM 0 HA VAL A 69 23.246 3.383 -8.756 1.00 35.42 H new ATOM 0 HB VAL A 69 20.730 3.262 -8.961 1.00 14.23 H new ATOM 0 HG11 VAL A 69 19.628 1.121 -8.456 1.00 51.22 H new ATOM 0 HG12 VAL A 69 20.559 1.045 -9.971 1.00 51.22 H new ATOM 0 HG13 VAL A 69 21.208 0.304 -8.489 1.00 51.22 H new ATOM 0 HG21 VAL A 69 20.353 2.604 -6.619 1.00 12.24 H new ATOM 0 HG22 VAL A 69 21.964 1.849 -6.576 1.00 12.24 H new ATOM 0 HG23 VAL A 69 21.811 3.609 -6.796 1.00 12.24 H new ATOM 1129 N ASP A 70 24.156 1.337 -7.546 1.00 14.34 N ATOM 1130 CA ASP A 70 24.925 0.216 -7.018 1.00 75.15 C ATOM 1131 C ASP A 70 24.201 -0.434 -5.843 1.00 63.11 C ATOM 1132 O ASP A 70 24.404 -0.056 -4.689 1.00 10.13 O ATOM 1133 CB ASP A 70 26.314 0.683 -6.583 1.00 64.21 C ATOM 1134 CG ASP A 70 27.127 1.237 -7.737 1.00 13.21 C ATOM 1135 OD1 ASP A 70 27.688 0.432 -8.509 1.00 31.40 O ATOM 1136 OD2 ASP A 70 27.200 2.477 -7.868 1.00 65.33 O ATOM 0 H ASP A 70 24.173 2.172 -6.961 1.00 14.34 H new ATOM 0 HA ASP A 70 25.032 -0.525 -7.810 1.00 75.15 H new ATOM 0 HB2 ASP A 70 26.212 1.448 -5.814 1.00 64.21 H new ATOM 0 HB3 ASP A 70 26.850 -0.152 -6.133 1.00 64.21 H new ATOM 1141 N THR A 71 23.355 -1.414 -6.144 1.00 62.51 N ATOM 1142 CA THR A 71 22.600 -2.116 -5.114 1.00 10.44 C ATOM 1143 C THR A 71 23.517 -2.615 -4.003 1.00 44.32 C ATOM 1144 O THR A 71 23.109 -2.716 -2.846 1.00 4.41 O ATOM 1145 CB THR A 71 21.825 -3.311 -5.700 1.00 44.01 C ATOM 1146 OG1 THR A 71 22.457 -3.761 -6.904 1.00 22.13 O ATOM 1147 CG2 THR A 71 20.382 -2.930 -5.991 1.00 53.00 C ATOM 0 H THR A 71 23.175 -1.740 -7.094 1.00 62.51 H new ATOM 0 HA THR A 71 21.890 -1.400 -4.701 1.00 10.44 H new ATOM 0 HB THR A 71 21.830 -4.115 -4.964 1.00 44.01 H new ATOM 0 HG1 THR A 71 22.065 -3.296 -7.673 1.00 22.13 H new ATOM 0 HG21 THR A 71 19.855 -3.790 -6.404 1.00 53.00 H new ATOM 0 HG22 THR A 71 19.895 -2.615 -5.068 1.00 53.00 H new ATOM 0 HG23 THR A 71 20.360 -2.111 -6.710 1.00 53.00 H new ATOM 1155 N TYR A 72 24.758 -2.925 -4.362 1.00 61.12 N ATOM 1156 CA TYR A 72 25.733 -3.416 -3.396 1.00 4.43 C ATOM 1157 C TYR A 72 25.988 -2.380 -2.305 1.00 14.23 C ATOM 1158 O TYR A 72 25.963 -2.696 -1.115 1.00 43.01 O ATOM 1159 CB TYR A 72 27.046 -3.766 -4.098 1.00 24.14 C ATOM 1160 CG TYR A 72 28.192 -4.026 -3.145 1.00 53.41 C ATOM 1161 CD1 TYR A 72 28.172 -5.118 -2.286 1.00 5.50 C ATOM 1162 CD2 TYR A 72 29.292 -3.179 -3.103 1.00 43.34 C ATOM 1163 CE1 TYR A 72 29.216 -5.358 -1.413 1.00 62.45 C ATOM 1164 CE2 TYR A 72 30.341 -3.413 -2.235 1.00 41.44 C ATOM 1165 CZ TYR A 72 30.298 -4.503 -1.392 1.00 63.43 C ATOM 1166 OH TYR A 72 31.340 -4.739 -0.525 1.00 65.01 O ATOM 0 H TYR A 72 25.112 -2.845 -5.315 1.00 61.12 H new ATOM 0 HA TYR A 72 25.326 -4.314 -2.932 1.00 4.43 H new ATOM 0 HB2 TYR A 72 26.893 -4.649 -4.718 1.00 24.14 H new ATOM 0 HB3 TYR A 72 27.319 -2.950 -4.767 1.00 24.14 H new ATOM 0 HD1 TYR A 72 27.327 -5.790 -2.301 1.00 5.50 H new ATOM 0 HD2 TYR A 72 29.328 -2.323 -3.760 1.00 43.34 H new ATOM 0 HE1 TYR A 72 29.185 -6.211 -0.751 1.00 62.45 H new ATOM 0 HE2 TYR A 72 31.190 -2.746 -2.217 1.00 41.44 H new ATOM 0 HH TYR A 72 32.023 -4.045 -0.637 1.00 65.01 H new ATOM 1176 N ASP A 73 26.231 -1.141 -2.719 1.00 73.43 N ATOM 1177 CA ASP A 73 26.488 -0.057 -1.779 1.00 12.12 C ATOM 1178 C ASP A 73 25.265 0.207 -0.906 1.00 20.43 C ATOM 1179 O ASP A 73 24.230 0.663 -1.391 1.00 41.43 O ATOM 1180 CB ASP A 73 26.877 1.217 -2.530 1.00 63.15 C ATOM 1181 CG ASP A 73 28.373 1.322 -2.756 1.00 32.04 C ATOM 1182 OD1 ASP A 73 28.950 0.389 -3.352 1.00 75.11 O ATOM 1183 OD2 ASP A 73 28.967 2.337 -2.335 1.00 32.15 O ATOM 0 H ASP A 73 26.255 -0.863 -3.700 1.00 73.43 H new ATOM 0 HA ASP A 73 27.315 -0.357 -1.135 1.00 12.12 H new ATOM 0 HB2 ASP A 73 26.365 1.239 -3.492 1.00 63.15 H new ATOM 0 HB3 ASP A 73 26.536 2.086 -1.967 1.00 63.15 H new ATOM 1188 N ARG A 74 25.392 -0.086 0.385 1.00 54.54 N ATOM 1189 CA ARG A 74 24.296 0.118 1.325 1.00 22.40 C ATOM 1190 C ARG A 74 23.806 1.562 1.284 1.00 34.14 C ATOM 1191 O ARG A 74 22.659 1.847 1.626 1.00 14.25 O ATOM 1192 CB ARG A 74 24.741 -0.242 2.744 1.00 13.40 C ATOM 1193 CG ARG A 74 25.619 0.816 3.393 1.00 21.40 C ATOM 1194 CD ARG A 74 26.991 0.877 2.740 1.00 23.15 C ATOM 1195 NE ARG A 74 27.616 -0.440 2.654 1.00 32.53 N ATOM 1196 CZ ARG A 74 28.647 -0.714 1.863 1.00 22.54 C ATOM 1197 NH1 ARG A 74 29.168 0.232 1.095 1.00 54.40 N ATOM 1198 NH2 ARG A 74 29.161 -1.938 1.841 1.00 53.25 N ATOM 0 H ARG A 74 26.242 -0.465 0.803 1.00 54.54 H new ATOM 0 HA ARG A 74 23.473 -0.534 1.033 1.00 22.40 H new ATOM 0 HB2 ARG A 74 23.858 -0.400 3.364 1.00 13.40 H new ATOM 0 HB3 ARG A 74 25.284 -1.187 2.717 1.00 13.40 H new ATOM 0 HG2 ARG A 74 25.135 1.789 3.317 1.00 21.40 H new ATOM 0 HG3 ARG A 74 25.730 0.597 4.455 1.00 21.40 H new ATOM 0 HD2 ARG A 74 26.898 1.300 1.740 1.00 23.15 H new ATOM 0 HD3 ARG A 74 27.634 1.547 3.310 1.00 23.15 H new ATOM 0 HE ARG A 74 27.240 -1.191 3.233 1.00 32.53 H new ATOM 0 HH11 ARG A 74 28.777 1.174 1.110 1.00 54.40 H new ATOM 0 HH12 ARG A 74 29.960 0.018 0.489 1.00 54.40 H new ATOM 0 HH21 ARG A 74 28.764 -2.669 2.432 1.00 53.25 H new ATOM 0 HH22 ARG A 74 29.953 -2.148 1.233 1.00 53.25 H new ATOM 1212 N GLU A 75 24.683 2.468 0.864 1.00 0.04 N ATOM 1213 CA GLU A 75 24.339 3.882 0.781 1.00 53.51 C ATOM 1214 C GLU A 75 23.284 4.123 -0.295 1.00 50.04 C ATOM 1215 O GLU A 75 22.238 4.714 -0.031 1.00 55.43 O ATOM 1216 CB GLU A 75 25.586 4.717 0.484 1.00 41.24 C ATOM 1217 CG GLU A 75 26.236 5.303 1.725 1.00 5.45 C ATOM 1218 CD GLU A 75 27.292 6.342 1.397 1.00 74.44 C ATOM 1219 OE1 GLU A 75 26.916 7.456 0.977 1.00 14.43 O ATOM 1220 OE2 GLU A 75 28.492 6.040 1.558 1.00 24.21 O ATOM 0 H GLU A 75 25.636 2.248 0.576 1.00 0.04 H new ATOM 0 HA GLU A 75 23.928 4.186 1.744 1.00 53.51 H new ATOM 0 HB2 GLU A 75 26.314 4.095 -0.038 1.00 41.24 H new ATOM 0 HB3 GLU A 75 25.317 5.528 -0.192 1.00 41.24 H new ATOM 0 HG2 GLU A 75 25.469 5.756 2.353 1.00 5.45 H new ATOM 0 HG3 GLU A 75 26.690 4.500 2.306 1.00 5.45 H new ATOM 1227 N GLN A 76 23.569 3.661 -1.508 1.00 73.45 N ATOM 1228 CA GLN A 76 22.646 3.827 -2.625 1.00 34.41 C ATOM 1229 C GLN A 76 21.307 3.158 -2.328 1.00 41.35 C ATOM 1230 O GLN A 76 20.260 3.806 -2.348 1.00 3.04 O ATOM 1231 CB GLN A 76 23.248 3.243 -3.904 1.00 25.23 C ATOM 1232 CG GLN A 76 24.628 3.791 -4.231 1.00 51.05 C ATOM 1233 CD GLN A 76 24.639 4.623 -5.499 1.00 25.40 C ATOM 1234 OE1 GLN A 76 25.337 4.137 -6.520 1.00 33.05 O flip ATOM 1235 NE2 GLN A 76 24.029 5.690 -5.561 1.00 34.05 N flip ATOM 0 H GLN A 76 24.431 3.169 -1.743 1.00 73.45 H new ATOM 0 HA GLN A 76 22.476 4.894 -2.767 1.00 34.41 H new ATOM 0 HB2 GLN A 76 23.310 2.159 -3.805 1.00 25.23 H new ATOM 0 HB3 GLN A 76 22.577 3.448 -4.738 1.00 25.23 H new ATOM 0 HG2 GLN A 76 24.980 4.400 -3.398 1.00 51.05 H new ATOM 0 HG3 GLN A 76 25.328 2.962 -4.338 1.00 51.05 H new ATOM 0 HE21 GLN A 76 23.505 6.026 -4.753 1.00 34.05 H new ATOM 0 HE22 GLN A 76 24.047 6.238 -6.421 1.00 34.05 H new ATOM 1244 N VAL A 77 21.348 1.858 -2.055 1.00 1.23 N ATOM 1245 CA VAL A 77 20.139 1.102 -1.753 1.00 74.25 C ATOM 1246 C VAL A 77 19.329 1.777 -0.652 1.00 74.52 C ATOM 1247 O VAL A 77 18.100 1.701 -0.636 1.00 64.31 O ATOM 1248 CB VAL A 77 20.470 -0.339 -1.322 1.00 65.12 C ATOM 1249 CG1 VAL A 77 20.825 -0.386 0.156 1.00 5.32 C ATOM 1250 CG2 VAL A 77 19.306 -1.268 -1.629 1.00 33.22 C ATOM 0 H VAL A 77 22.206 1.306 -2.037 1.00 1.23 H new ATOM 0 HA VAL A 77 19.548 1.072 -2.668 1.00 74.25 H new ATOM 0 HB VAL A 77 21.336 -0.680 -1.890 1.00 65.12 H new ATOM 0 HG11 VAL A 77 21.056 -1.412 0.442 1.00 5.32 H new ATOM 0 HG12 VAL A 77 21.693 0.247 0.342 1.00 5.32 H new ATOM 0 HG13 VAL A 77 19.981 -0.026 0.745 1.00 5.32 H new ATOM 0 HG21 VAL A 77 19.558 -2.282 -1.318 1.00 33.22 H new ATOM 0 HG22 VAL A 77 18.420 -0.932 -1.090 1.00 33.22 H new ATOM 0 HG23 VAL A 77 19.104 -1.257 -2.700 1.00 33.22 H new ATOM 1260 N MET A 78 20.025 2.437 0.267 1.00 21.10 N ATOM 1261 CA MET A 78 19.370 3.127 1.372 1.00 52.20 C ATOM 1262 C MET A 78 18.576 4.328 0.868 1.00 11.43 C ATOM 1263 O MET A 78 17.387 4.465 1.156 1.00 34.40 O ATOM 1264 CB MET A 78 20.405 3.581 2.403 1.00 15.14 C ATOM 1265 CG MET A 78 20.546 2.631 3.581 1.00 35.15 C ATOM 1266 SD MET A 78 21.468 3.355 4.951 1.00 65.31 S ATOM 1267 CE MET A 78 23.129 2.800 4.571 1.00 14.00 C ATOM 0 H MET A 78 21.042 2.509 0.269 1.00 21.10 H new ATOM 0 HA MET A 78 18.679 2.429 1.845 1.00 52.20 H new ATOM 0 HB2 MET A 78 21.373 3.685 1.913 1.00 15.14 H new ATOM 0 HB3 MET A 78 20.128 4.568 2.774 1.00 15.14 H new ATOM 0 HG2 MET A 78 19.555 2.340 3.929 1.00 35.15 H new ATOM 0 HG3 MET A 78 21.048 1.721 3.251 1.00 35.15 H new ATOM 0 HE1 MET A 78 23.724 2.781 5.484 1.00 14.00 H new ATOM 0 HE2 MET A 78 23.089 1.798 4.143 1.00 14.00 H new ATOM 0 HE3 MET A 78 23.586 3.483 3.854 1.00 14.00 H new ATOM 1277 N LYS A 79 19.241 5.198 0.115 1.00 21.23 N ATOM 1278 CA LYS A 79 18.598 6.388 -0.430 1.00 21.43 C ATOM 1279 C LYS A 79 17.367 6.014 -1.249 1.00 60.11 C ATOM 1280 O LYS A 79 16.351 6.709 -1.212 1.00 43.04 O ATOM 1281 CB LYS A 79 19.584 7.172 -1.299 1.00 55.01 C ATOM 1282 CG LYS A 79 20.776 7.714 -0.530 1.00 33.24 C ATOM 1283 CD LYS A 79 21.995 7.863 -1.424 1.00 2.34 C ATOM 1284 CE LYS A 79 23.097 8.654 -0.735 1.00 43.14 C ATOM 1285 NZ LYS A 79 22.908 10.123 -0.894 1.00 31.34 N ATOM 0 H LYS A 79 20.226 5.101 -0.132 1.00 21.23 H new ATOM 0 HA LYS A 79 18.281 7.014 0.404 1.00 21.43 H new ATOM 0 HB2 LYS A 79 19.943 6.526 -2.100 1.00 55.01 H new ATOM 0 HB3 LYS A 79 19.059 8.002 -1.771 1.00 55.01 H new ATOM 0 HG2 LYS A 79 20.521 8.681 -0.096 1.00 33.24 H new ATOM 0 HG3 LYS A 79 21.011 7.045 0.298 1.00 33.24 H new ATOM 0 HD2 LYS A 79 22.370 6.877 -1.698 1.00 2.34 H new ATOM 0 HD3 LYS A 79 21.710 8.364 -2.349 1.00 2.34 H new ATOM 0 HE2 LYS A 79 23.116 8.403 0.326 1.00 43.14 H new ATOM 0 HE3 LYS A 79 24.064 8.365 -1.148 1.00 43.14 H new ATOM 0 HZ1 LYS A 79 23.679 10.627 -0.411 1.00 31.34 H new ATOM 0 HZ2 LYS A 79 22.916 10.367 -1.905 1.00 31.34 H new ATOM 0 HZ3 LYS A 79 21.997 10.403 -0.477 1.00 31.34 H new ATOM 1299 N ILE A 80 17.464 4.912 -1.986 1.00 3.33 N ATOM 1300 CA ILE A 80 16.357 4.446 -2.811 1.00 63.23 C ATOM 1301 C ILE A 80 15.180 3.999 -1.951 1.00 41.10 C ATOM 1302 O ILE A 80 14.061 4.489 -2.110 1.00 25.33 O ATOM 1303 CB ILE A 80 16.786 3.279 -3.721 1.00 11.13 C ATOM 1304 CG1 ILE A 80 17.901 3.726 -4.669 1.00 32.23 C ATOM 1305 CG2 ILE A 80 15.594 2.754 -4.507 1.00 14.55 C ATOM 1306 CD1 ILE A 80 18.795 2.594 -5.125 1.00 42.52 C ATOM 0 H ILE A 80 18.298 4.326 -2.028 1.00 3.33 H new ATOM 0 HA ILE A 80 16.050 5.287 -3.432 1.00 63.23 H new ATOM 0 HB ILE A 80 17.168 2.472 -3.096 1.00 11.13 H new ATOM 0 HG12 ILE A 80 17.455 4.201 -5.543 1.00 32.23 H new ATOM 0 HG13 ILE A 80 18.509 4.481 -4.171 1.00 32.23 H new ATOM 0 HG21 ILE A 80 15.913 1.930 -5.145 1.00 14.55 H new ATOM 0 HG22 ILE A 80 14.829 2.402 -3.815 1.00 14.55 H new ATOM 0 HG23 ILE A 80 15.185 3.554 -5.125 1.00 14.55 H new ATOM 0 HD11 ILE A 80 19.562 2.983 -5.794 1.00 42.52 H new ATOM 0 HD12 ILE A 80 19.269 2.133 -4.258 1.00 42.52 H new ATOM 0 HD13 ILE A 80 18.199 1.849 -5.651 1.00 42.52 H new ATOM 1318 N ILE A 81 15.440 3.068 -1.039 1.00 44.42 N ATOM 1319 CA ILE A 81 14.403 2.558 -0.152 1.00 0.05 C ATOM 1320 C ILE A 81 13.806 3.676 0.696 1.00 11.12 C ATOM 1321 O ILE A 81 12.605 3.689 0.969 1.00 25.41 O ATOM 1322 CB ILE A 81 14.949 1.459 0.779 1.00 10.11 C ATOM 1323 CG1 ILE A 81 15.445 0.266 -0.041 1.00 0.14 C ATOM 1324 CG2 ILE A 81 13.878 1.021 1.767 1.00 51.31 C ATOM 1325 CD1 ILE A 81 16.234 -0.738 0.770 1.00 34.24 C ATOM 0 H ILE A 81 16.360 2.652 -0.895 1.00 44.42 H new ATOM 0 HA ILE A 81 13.626 2.132 -0.787 1.00 0.05 H new ATOM 0 HB ILE A 81 15.790 1.865 1.341 1.00 10.11 H new ATOM 0 HG12 ILE A 81 14.589 -0.236 -0.492 1.00 0.14 H new ATOM 0 HG13 ILE A 81 16.068 0.631 -0.858 1.00 0.14 H new ATOM 0 HG21 ILE A 81 14.279 0.244 2.418 1.00 51.31 H new ATOM 0 HG22 ILE A 81 13.568 1.875 2.370 1.00 51.31 H new ATOM 0 HG23 ILE A 81 13.019 0.630 1.222 1.00 51.31 H new ATOM 0 HD11 ILE A 81 16.554 -1.556 0.125 1.00 34.24 H new ATOM 0 HD12 ILE A 81 17.110 -0.251 1.199 1.00 34.24 H new ATOM 0 HD13 ILE A 81 15.608 -1.131 1.571 1.00 34.24 H new ATOM 1337 N ASP A 82 14.651 4.614 1.108 1.00 3.33 N ATOM 1338 CA ASP A 82 14.207 5.739 1.923 1.00 40.41 C ATOM 1339 C ASP A 82 13.366 6.709 1.098 1.00 23.11 C ATOM 1340 O ASP A 82 12.255 7.067 1.487 1.00 22.11 O ATOM 1341 CB ASP A 82 15.410 6.470 2.521 1.00 22.23 C ATOM 1342 CG ASP A 82 15.069 7.187 3.812 1.00 15.33 C ATOM 1343 OD1 ASP A 82 14.501 6.541 4.718 1.00 11.42 O ATOM 1344 OD2 ASP A 82 15.370 8.395 3.917 1.00 34.52 O ATOM 0 H ASP A 82 15.648 4.618 0.891 1.00 3.33 H new ATOM 0 HA ASP A 82 13.590 5.348 2.732 1.00 40.41 H new ATOM 0 HB2 ASP A 82 16.211 5.754 2.707 1.00 22.23 H new ATOM 0 HB3 ASP A 82 15.789 7.192 1.797 1.00 22.23 H new ATOM 1349 N GLU A 83 13.906 7.130 -0.042 1.00 14.44 N ATOM 1350 CA GLU A 83 13.205 8.060 -0.920 1.00 11.25 C ATOM 1351 C GLU A 83 11.881 7.468 -1.393 1.00 54.13 C ATOM 1352 O GLU A 83 10.831 8.103 -1.287 1.00 72.52 O ATOM 1353 CB GLU A 83 14.078 8.414 -2.125 1.00 41.40 C ATOM 1354 CG GLU A 83 15.134 9.465 -1.824 1.00 70.21 C ATOM 1355 CD GLU A 83 16.325 9.379 -2.759 1.00 52.51 C ATOM 1356 OE1 GLU A 83 16.584 8.279 -3.289 1.00 61.14 O ATOM 1357 OE2 GLU A 83 16.997 10.412 -2.960 1.00 42.21 O ATOM 0 H GLU A 83 14.825 6.842 -0.379 1.00 14.44 H new ATOM 0 HA GLU A 83 12.995 8.967 -0.354 1.00 11.25 H new ATOM 0 HB2 GLU A 83 14.569 7.510 -2.485 1.00 41.40 H new ATOM 0 HB3 GLU A 83 13.440 8.773 -2.932 1.00 41.40 H new ATOM 0 HG2 GLU A 83 14.687 10.456 -1.901 1.00 70.21 H new ATOM 0 HG3 GLU A 83 15.475 9.348 -0.795 1.00 70.21 H new ATOM 1364 N PHE A 84 11.938 6.248 -1.917 1.00 44.10 N ATOM 1365 CA PHE A 84 10.745 5.570 -2.409 1.00 12.00 C ATOM 1366 C PHE A 84 9.831 5.172 -1.254 1.00 33.40 C ATOM 1367 O PHE A 84 8.685 4.773 -1.463 1.00 32.33 O ATOM 1368 CB PHE A 84 11.133 4.331 -3.218 1.00 24.43 C ATOM 1369 CG PHE A 84 11.658 4.649 -4.589 1.00 13.54 C ATOM 1370 CD1 PHE A 84 12.808 5.406 -4.746 1.00 55.23 C ATOM 1371 CD2 PHE A 84 11.000 4.193 -5.720 1.00 23.24 C ATOM 1372 CE1 PHE A 84 13.293 5.701 -6.006 1.00 50.14 C ATOM 1373 CE2 PHE A 84 11.481 4.484 -6.982 1.00 42.21 C ATOM 1374 CZ PHE A 84 12.628 5.240 -7.126 1.00 2.32 C ATOM 0 H PHE A 84 12.798 5.709 -2.012 1.00 44.10 H new ATOM 0 HA PHE A 84 10.205 6.262 -3.055 1.00 12.00 H new ATOM 0 HB2 PHE A 84 11.890 3.771 -2.669 1.00 24.43 H new ATOM 0 HB3 PHE A 84 10.263 3.682 -3.313 1.00 24.43 H new ATOM 0 HD1 PHE A 84 13.331 5.770 -3.874 1.00 55.23 H new ATOM 0 HD2 PHE A 84 10.101 3.604 -5.614 1.00 23.24 H new ATOM 0 HE1 PHE A 84 14.191 6.291 -6.115 1.00 50.14 H new ATOM 0 HE2 PHE A 84 10.960 4.121 -7.856 1.00 42.21 H new ATOM 0 HZ PHE A 84 13.004 5.470 -8.112 1.00 2.32 H new ATOM 1384 N LYS A 85 10.346 5.282 -0.034 1.00 62.13 N ATOM 1385 CA LYS A 85 9.578 4.935 1.156 1.00 64.44 C ATOM 1386 C LYS A 85 9.111 3.484 1.097 1.00 74.10 C ATOM 1387 O LYS A 85 7.936 3.192 1.321 1.00 34.43 O ATOM 1388 CB LYS A 85 8.372 5.865 1.299 1.00 41.20 C ATOM 1389 CG LYS A 85 8.733 7.259 1.781 1.00 4.51 C ATOM 1390 CD LYS A 85 8.983 7.284 3.280 1.00 42.02 C ATOM 1391 CE LYS A 85 9.947 8.395 3.666 1.00 0.51 C ATOM 1392 NZ LYS A 85 9.838 8.748 5.109 1.00 70.41 N ATOM 0 H LYS A 85 11.293 5.609 0.157 1.00 62.13 H new ATOM 0 HA LYS A 85 10.226 5.055 2.024 1.00 64.44 H new ATOM 0 HB2 LYS A 85 7.867 5.942 0.336 1.00 41.20 H new ATOM 0 HB3 LYS A 85 7.662 5.421 1.997 1.00 41.20 H new ATOM 0 HG2 LYS A 85 9.623 7.607 1.257 1.00 4.51 H new ATOM 0 HG3 LYS A 85 7.927 7.950 1.534 1.00 4.51 H new ATOM 0 HD2 LYS A 85 8.038 7.422 3.805 1.00 42.02 H new ATOM 0 HD3 LYS A 85 9.387 6.323 3.599 1.00 42.02 H new ATOM 0 HE2 LYS A 85 10.968 8.083 3.445 1.00 0.51 H new ATOM 0 HE3 LYS A 85 9.745 9.278 3.060 1.00 0.51 H new ATOM 0 HZ1 LYS A 85 10.511 9.509 5.332 1.00 70.41 H new ATOM 0 HZ2 LYS A 85 8.871 9.070 5.316 1.00 70.41 H new ATOM 0 HZ3 LYS A 85 10.056 7.912 5.688 1.00 70.41 H new ATOM 1406 N ILE A 86 10.037 2.580 0.796 1.00 53.12 N ATOM 1407 CA ILE A 86 9.719 1.160 0.711 1.00 55.22 C ATOM 1408 C ILE A 86 9.620 0.535 2.098 1.00 31.11 C ATOM 1409 O ILE A 86 10.537 0.627 2.914 1.00 21.23 O ATOM 1410 CB ILE A 86 10.773 0.395 -0.111 1.00 12.21 C ATOM 1411 CG1 ILE A 86 11.117 1.168 -1.386 1.00 10.44 C ATOM 1412 CG2 ILE A 86 10.270 -1.000 -0.451 1.00 14.23 C ATOM 1413 CD1 ILE A 86 12.158 0.485 -2.244 1.00 70.04 C ATOM 0 H ILE A 86 11.014 2.806 0.607 1.00 53.12 H new ATOM 0 HA ILE A 86 8.754 1.082 0.210 1.00 55.22 H new ATOM 0 HB ILE A 86 11.678 0.298 0.488 1.00 12.21 H new ATOM 0 HG12 ILE A 86 10.209 1.308 -1.973 1.00 10.44 H new ATOM 0 HG13 ILE A 86 11.476 2.160 -1.114 1.00 10.44 H new ATOM 0 HG21 ILE A 86 11.026 -1.528 -1.032 1.00 14.23 H new ATOM 0 HG22 ILE A 86 10.071 -1.549 0.469 1.00 14.23 H new ATOM 0 HG23 ILE A 86 9.352 -0.924 -1.034 1.00 14.23 H new ATOM 0 HD11 ILE A 86 12.352 1.089 -3.130 1.00 70.04 H new ATOM 0 HD12 ILE A 86 13.080 0.369 -1.674 1.00 70.04 H new ATOM 0 HD13 ILE A 86 11.793 -0.496 -2.547 1.00 70.04 H new ATOM 1425 N PRO A 87 8.481 -0.119 2.373 1.00 43.30 N ATOM 1426 CA PRO A 87 8.236 -0.775 3.661 1.00 42.32 C ATOM 1427 C PRO A 87 9.108 -2.010 3.857 1.00 32.41 C ATOM 1428 O PRO A 87 9.600 -2.596 2.892 1.00 2.01 O ATOM 1429 CB PRO A 87 6.759 -1.169 3.583 1.00 62.15 C ATOM 1430 CG PRO A 87 6.476 -1.291 2.125 1.00 64.01 C ATOM 1431 CD PRO A 87 7.346 -0.268 1.447 1.00 33.05 C ATOM 0 HA PRO A 87 8.473 -0.124 4.502 1.00 42.32 H new ATOM 0 HB2 PRO A 87 6.572 -2.109 4.103 1.00 62.15 H new ATOM 0 HB3 PRO A 87 6.123 -0.416 4.048 1.00 62.15 H new ATOM 0 HG2 PRO A 87 6.702 -2.295 1.766 1.00 64.01 H new ATOM 0 HG3 PRO A 87 5.422 -1.108 1.915 1.00 64.01 H new ATOM 0 HD2 PRO A 87 7.672 -0.606 0.463 1.00 33.05 H new ATOM 0 HD3 PRO A 87 6.819 0.675 1.302 1.00 33.05 H new ATOM 1439 N THR A 88 9.295 -2.403 5.113 1.00 22.53 N ATOM 1440 CA THR A 88 10.108 -3.569 5.436 1.00 30.22 C ATOM 1441 C THR A 88 9.275 -4.845 5.408 1.00 34.42 C ATOM 1442 O THR A 88 8.051 -4.797 5.280 1.00 62.21 O ATOM 1443 CB THR A 88 10.765 -3.429 6.822 1.00 25.31 C ATOM 1444 OG1 THR A 88 10.321 -2.225 7.456 1.00 41.53 O ATOM 1445 CG2 THR A 88 12.282 -3.416 6.703 1.00 50.23 C ATOM 0 H THR A 88 8.894 -1.931 5.923 1.00 22.53 H new ATOM 0 HA THR A 88 10.888 -3.631 4.677 1.00 30.22 H new ATOM 0 HB THR A 88 10.471 -4.287 7.427 1.00 25.31 H new ATOM 0 HG1 THR A 88 10.742 -2.145 8.337 1.00 41.53 H new ATOM 0 HG21 THR A 88 12.724 -3.316 7.694 1.00 50.23 H new ATOM 0 HG22 THR A 88 12.619 -4.347 6.247 1.00 50.23 H new ATOM 0 HG23 THR A 88 12.591 -2.575 6.082 1.00 50.23 H new ATOM 1453 N VAL A 89 9.945 -5.987 5.530 1.00 74.01 N ATOM 1454 CA VAL A 89 9.265 -7.277 5.520 1.00 1.04 C ATOM 1455 C VAL A 89 8.129 -7.307 6.537 1.00 61.23 C ATOM 1456 O VAL A 89 6.996 -7.655 6.205 1.00 2.41 O ATOM 1457 CB VAL A 89 10.242 -8.428 5.825 1.00 60.25 C ATOM 1458 CG1 VAL A 89 9.506 -9.759 5.854 1.00 24.24 C ATOM 1459 CG2 VAL A 89 11.368 -8.455 4.802 1.00 1.11 C ATOM 0 H VAL A 89 10.958 -6.045 5.637 1.00 74.01 H new ATOM 0 HA VAL A 89 8.856 -7.412 4.519 1.00 1.04 H new ATOM 0 HB VAL A 89 10.679 -8.260 6.809 1.00 60.25 H new ATOM 0 HG11 VAL A 89 10.212 -10.561 6.071 1.00 24.24 H new ATOM 0 HG12 VAL A 89 8.738 -9.733 6.627 1.00 24.24 H new ATOM 0 HG13 VAL A 89 9.040 -9.938 4.885 1.00 24.24 H new ATOM 0 HG21 VAL A 89 12.049 -9.274 5.032 1.00 1.11 H new ATOM 0 HG22 VAL A 89 10.951 -8.599 3.805 1.00 1.11 H new ATOM 0 HG23 VAL A 89 11.912 -7.511 4.834 1.00 1.11 H new ATOM 1469 N GLU A 90 8.441 -6.940 7.776 1.00 71.22 N ATOM 1470 CA GLU A 90 7.445 -6.926 8.841 1.00 42.21 C ATOM 1471 C GLU A 90 6.206 -6.143 8.416 1.00 33.44 C ATOM 1472 O GLU A 90 5.083 -6.638 8.515 1.00 24.43 O ATOM 1473 CB GLU A 90 8.036 -6.315 10.114 1.00 60.45 C ATOM 1474 CG GLU A 90 9.035 -7.220 10.815 1.00 3.21 C ATOM 1475 CD GLU A 90 9.529 -6.638 12.125 1.00 3.33 C ATOM 1476 OE1 GLU A 90 10.416 -5.760 12.088 1.00 2.42 O ATOM 1477 OE2 GLU A 90 9.028 -7.061 13.188 1.00 11.31 O ATOM 0 H GLU A 90 9.374 -6.649 8.067 1.00 71.22 H new ATOM 0 HA GLU A 90 7.151 -7.956 9.043 1.00 42.21 H new ATOM 0 HB2 GLU A 90 8.525 -5.374 9.862 1.00 60.45 H new ATOM 0 HB3 GLU A 90 7.226 -6.079 10.804 1.00 60.45 H new ATOM 0 HG2 GLU A 90 8.572 -8.189 11.004 1.00 3.21 H new ATOM 0 HG3 GLU A 90 9.885 -7.396 10.156 1.00 3.21 H new ATOM 1484 N GLN A 91 6.419 -4.919 7.945 1.00 72.24 N ATOM 1485 CA GLN A 91 5.319 -4.068 7.506 1.00 1.25 C ATOM 1486 C GLN A 91 4.518 -4.741 6.397 1.00 20.20 C ATOM 1487 O GLN A 91 3.289 -4.673 6.377 1.00 41.45 O ATOM 1488 CB GLN A 91 5.853 -2.719 7.020 1.00 72.40 C ATOM 1489 CG GLN A 91 6.839 -2.073 7.980 1.00 70.34 C ATOM 1490 CD GLN A 91 6.402 -2.183 9.427 1.00 21.41 C ATOM 1491 OE1 GLN A 91 5.217 -2.066 9.741 1.00 41.04 O ATOM 1492 NE2 GLN A 91 7.359 -2.410 10.319 1.00 22.21 N ATOM 0 H GLN A 91 7.342 -4.494 7.857 1.00 72.24 H new ATOM 0 HA GLN A 91 4.658 -3.904 8.357 1.00 1.25 H new ATOM 0 HB2 GLN A 91 6.337 -2.856 6.053 1.00 72.40 H new ATOM 0 HB3 GLN A 91 5.014 -2.041 6.863 1.00 72.40 H new ATOM 0 HG2 GLN A 91 7.815 -2.543 7.863 1.00 70.34 H new ATOM 0 HG3 GLN A 91 6.958 -1.021 7.719 1.00 70.34 H new ATOM 0 HE21 GLN A 91 8.328 -2.500 10.015 1.00 22.21 H new ATOM 0 HE22 GLN A 91 7.125 -2.494 11.308 1.00 22.21 H new ATOM 1501 N TRP A 92 5.222 -5.391 5.477 1.00 52.41 N ATOM 1502 CA TRP A 92 4.575 -6.076 4.364 1.00 64.34 C ATOM 1503 C TRP A 92 3.720 -7.236 4.861 1.00 12.14 C ATOM 1504 O TRP A 92 2.616 -7.464 4.366 1.00 63.24 O ATOM 1505 CB TRP A 92 5.624 -6.588 3.375 1.00 42.22 C ATOM 1506 CG TRP A 92 5.031 -7.166 2.126 1.00 51.13 C ATOM 1507 CD1 TRP A 92 4.277 -6.508 1.196 1.00 62.31 C ATOM 1508 CD2 TRP A 92 5.141 -8.519 1.672 1.00 73.33 C ATOM 1509 NE1 TRP A 92 3.912 -7.371 0.191 1.00 32.42 N ATOM 1510 CE2 TRP A 92 4.430 -8.611 0.459 1.00 13.11 C ATOM 1511 CE3 TRP A 92 5.772 -9.662 2.170 1.00 1.01 C ATOM 1512 CZ2 TRP A 92 4.333 -9.800 -0.259 1.00 1.12 C ATOM 1513 CZ3 TRP A 92 5.675 -10.841 1.457 1.00 70.45 C ATOM 1514 CH2 TRP A 92 4.961 -10.903 0.253 1.00 72.15 C ATOM 0 H TRP A 92 6.240 -5.458 5.480 1.00 52.41 H new ATOM 0 HA TRP A 92 3.926 -5.361 3.858 1.00 64.34 H new ATOM 0 HB2 TRP A 92 6.290 -5.768 3.107 1.00 42.22 H new ATOM 0 HB3 TRP A 92 6.234 -7.347 3.864 1.00 42.22 H new ATOM 0 HD1 TRP A 92 4.007 -5.463 1.244 1.00 62.31 H new ATOM 0 HE1 TRP A 92 3.347 -7.128 -0.623 1.00 32.42 H new ATOM 0 HE3 TRP A 92 6.326 -9.624 3.096 1.00 1.01 H new ATOM 0 HZ2 TRP A 92 3.782 -9.850 -1.187 1.00 1.12 H new ATOM 0 HZ3 TRP A 92 6.158 -11.730 1.834 1.00 70.45 H new ATOM 0 HH2 TRP A 92 4.905 -11.840 -0.282 1.00 72.15 H new ATOM 1525 N LYS A 93 4.235 -7.966 5.845 1.00 60.24 N ATOM 1526 CA LYS A 93 3.518 -9.102 6.411 1.00 33.23 C ATOM 1527 C LYS A 93 2.225 -8.649 7.083 1.00 23.31 C ATOM 1528 O LYS A 93 1.149 -9.173 6.796 1.00 52.12 O ATOM 1529 CB LYS A 93 4.401 -9.836 7.423 1.00 71.00 C ATOM 1530 CG LYS A 93 5.713 -10.330 6.839 1.00 2.12 C ATOM 1531 CD LYS A 93 5.603 -11.766 6.356 1.00 22.42 C ATOM 1532 CE LYS A 93 5.479 -11.837 4.842 1.00 64.31 C ATOM 1533 NZ LYS A 93 4.311 -12.658 4.419 1.00 52.43 N ATOM 0 H LYS A 93 5.147 -7.791 6.267 1.00 60.24 H new ATOM 0 HA LYS A 93 3.265 -9.782 5.598 1.00 33.23 H new ATOM 0 HB2 LYS A 93 4.613 -9.169 8.259 1.00 71.00 H new ATOM 0 HB3 LYS A 93 3.849 -10.686 7.825 1.00 71.00 H new ATOM 0 HG2 LYS A 93 6.008 -9.688 6.009 1.00 2.12 H new ATOM 0 HG3 LYS A 93 6.498 -10.258 7.592 1.00 2.12 H new ATOM 0 HD2 LYS A 93 6.481 -12.327 6.677 1.00 22.42 H new ATOM 0 HD3 LYS A 93 4.736 -12.240 6.816 1.00 22.42 H new ATOM 0 HE2 LYS A 93 5.380 -10.829 4.438 1.00 64.31 H new ATOM 0 HE3 LYS A 93 6.392 -12.260 4.422 1.00 64.31 H new ATOM 0 HZ1 LYS A 93 4.261 -12.682 3.380 1.00 52.43 H new ATOM 0 HZ2 LYS A 93 4.417 -13.626 4.783 1.00 52.43 H new ATOM 0 HZ3 LYS A 93 3.437 -12.240 4.798 1.00 52.43 H new ATOM 1547 N ASP A 94 2.339 -7.673 7.977 1.00 23.31 N ATOM 1548 CA ASP A 94 1.179 -7.148 8.688 1.00 62.22 C ATOM 1549 C ASP A 94 0.149 -6.591 7.710 1.00 62.10 C ATOM 1550 O ASP A 94 -1.049 -6.832 7.853 1.00 71.22 O ATOM 1551 CB ASP A 94 1.608 -6.059 9.672 1.00 15.22 C ATOM 1552 CG ASP A 94 0.425 -5.346 10.297 1.00 13.14 C ATOM 1553 OD1 ASP A 94 -0.546 -6.031 10.680 1.00 73.43 O ATOM 1554 OD2 ASP A 94 0.470 -4.102 10.404 1.00 74.13 O ATOM 0 H ASP A 94 3.223 -7.229 8.227 1.00 23.31 H new ATOM 0 HA ASP A 94 0.721 -7.967 9.242 1.00 62.22 H new ATOM 0 HB2 ASP A 94 2.218 -6.504 10.459 1.00 15.22 H new ATOM 0 HB3 ASP A 94 2.235 -5.332 9.155 1.00 15.22 H new ATOM 1559 N GLN A 95 0.625 -5.845 6.719 1.00 42.15 N ATOM 1560 CA GLN A 95 -0.255 -5.252 5.719 1.00 72.34 C ATOM 1561 C GLN A 95 -1.040 -6.330 4.978 1.00 55.52 C ATOM 1562 O GLN A 95 -2.259 -6.234 4.830 1.00 54.04 O ATOM 1563 CB GLN A 95 0.556 -4.420 4.723 1.00 34.25 C ATOM 1564 CG GLN A 95 0.759 -2.978 5.159 1.00 33.25 C ATOM 1565 CD GLN A 95 -0.495 -2.140 5.005 1.00 1.22 C ATOM 1566 OE1 GLN A 95 -1.023 -1.606 5.981 1.00 4.23 O ATOM 1567 NE2 GLN A 95 -0.979 -2.019 3.775 1.00 72.34 N ATOM 0 H GLN A 95 1.615 -5.637 6.587 1.00 42.15 H new ATOM 0 HA GLN A 95 -0.962 -4.601 6.234 1.00 72.34 H new ATOM 0 HB2 GLN A 95 1.530 -4.888 4.579 1.00 34.25 H new ATOM 0 HB3 GLN A 95 0.051 -4.431 3.757 1.00 34.25 H new ATOM 0 HG2 GLN A 95 1.078 -2.959 6.201 1.00 33.25 H new ATOM 0 HG3 GLN A 95 1.562 -2.534 4.571 1.00 33.25 H new ATOM 0 HE21 GLN A 95 -0.510 -2.479 2.995 1.00 72.34 H new ATOM 0 HE22 GLN A 95 -1.820 -1.466 3.610 1.00 72.34 H new ATOM 1576 N THR A 96 -0.334 -7.356 4.513 1.00 54.30 N ATOM 1577 CA THR A 96 -0.965 -8.450 3.786 1.00 23.41 C ATOM 1578 C THR A 96 -1.899 -9.245 4.691 1.00 22.51 C ATOM 1579 O THR A 96 -2.974 -9.672 4.268 1.00 25.04 O ATOM 1580 CB THR A 96 0.085 -9.404 3.186 1.00 23.40 C ATOM 1581 OG1 THR A 96 1.103 -9.685 4.154 1.00 15.31 O ATOM 1582 CG2 THR A 96 0.716 -8.800 1.940 1.00 21.45 C ATOM 0 H THR A 96 0.675 -7.452 4.627 1.00 54.30 H new ATOM 0 HA THR A 96 -1.542 -8.001 2.978 1.00 23.41 H new ATOM 0 HB THR A 96 -0.416 -10.331 2.908 1.00 23.40 H new ATOM 0 HG1 THR A 96 1.825 -9.028 4.070 1.00 15.31 H new ATOM 0 HG21 THR A 96 1.454 -9.492 1.534 1.00 21.45 H new ATOM 0 HG22 THR A 96 -0.057 -8.615 1.194 1.00 21.45 H new ATOM 0 HG23 THR A 96 1.203 -7.860 2.198 1.00 21.45 H new ATOM 1941 N PHE B -7 9.323 -14.940 6.832 1.00 10.54 N ATOM 1942 CA PHE B -7 10.608 -15.019 6.147 1.00 13.20 C ATOM 1943 C PHE B -7 11.761 -14.834 7.130 1.00 74.45 C ATOM 1944 O PHE B -7 12.441 -15.795 7.492 1.00 50.25 O ATOM 1945 CB PHE B -7 10.688 -13.961 5.045 1.00 51.42 C ATOM 1946 CG PHE B -7 9.864 -14.293 3.833 1.00 24.15 C ATOM 1947 CD1 PHE B -7 10.362 -15.134 2.851 1.00 73.10 C ATOM 1948 CD2 PHE B -7 8.593 -13.765 3.678 1.00 71.34 C ATOM 1949 CE1 PHE B -7 9.606 -15.441 1.735 1.00 3.11 C ATOM 1950 CE2 PHE B -7 7.833 -14.069 2.564 1.00 55.01 C ATOM 1951 CZ PHE B -7 8.340 -14.909 1.592 1.00 53.21 C ATOM 0 H1 PHE B -7 8.601 -14.581 6.175 1.00 10.54 H new ATOM 0 H2 PHE B -7 9.048 -15.886 7.165 1.00 10.54 H new ATOM 0 H3 PHE B -7 9.402 -14.296 7.645 1.00 10.54 H new ATOM 0 HA PHE B -7 10.692 -16.009 5.698 1.00 13.20 H new ATOM 0 HB2 PHE B -7 10.358 -13.003 5.447 1.00 51.42 H new ATOM 0 HB3 PHE B -7 11.729 -13.839 4.745 1.00 51.42 H new ATOM 0 HD1 PHE B -7 11.351 -15.554 2.958 1.00 73.10 H new ATOM 0 HD2 PHE B -7 8.191 -13.109 4.436 1.00 71.34 H new ATOM 0 HE1 PHE B -7 10.006 -16.097 0.975 1.00 3.11 H new ATOM 0 HE2 PHE B -7 6.844 -13.650 2.454 1.00 55.01 H new ATOM 0 HZ PHE B -7 7.747 -15.149 0.722 1.00 53.21 H new ATOM 1961 N ILE B -6 11.974 -13.594 7.556 1.00 33.21 N ATOM 1962 CA ILE B -6 13.043 -13.284 8.497 1.00 41.45 C ATOM 1963 C ILE B -6 14.378 -13.843 8.016 1.00 74.51 C ATOM 1964 O ILE B -6 14.862 -14.866 8.503 1.00 52.55 O ATOM 1965 CB ILE B -6 12.740 -13.843 9.899 1.00 73.10 C ATOM 1966 CG1 ILE B -6 11.293 -13.537 10.292 1.00 2.52 C ATOM 1967 CG2 ILE B -6 13.706 -13.264 10.921 1.00 44.31 C ATOM 1968 CD1 ILE B -6 10.952 -12.064 10.239 1.00 12.22 C ATOM 0 H ILE B -6 11.421 -12.788 7.265 1.00 33.21 H new ATOM 0 HA ILE B -6 13.106 -12.197 8.555 1.00 41.45 H new ATOM 0 HB ILE B -6 12.870 -14.925 9.878 1.00 73.10 H new ATOM 0 HG12 ILE B -6 10.622 -14.081 9.628 1.00 2.52 H new ATOM 0 HG13 ILE B -6 11.113 -13.907 11.301 1.00 2.52 H new ATOM 0 HG21 ILE B -6 13.478 -13.669 11.907 1.00 44.31 H new ATOM 0 HG22 ILE B -6 14.727 -13.528 10.647 1.00 44.31 H new ATOM 0 HG23 ILE B -6 13.606 -12.179 10.943 1.00 44.31 H new ATOM 0 HD11 ILE B -6 9.911 -11.921 10.530 1.00 12.22 H new ATOM 0 HD12 ILE B -6 11.599 -11.516 10.924 1.00 12.22 H new ATOM 0 HD13 ILE B -6 11.100 -11.693 9.225 1.00 12.22 H new ATOM 1980 N PRO B -5 14.989 -13.158 7.038 1.00 21.33 N ATOM 1981 CA PRO B -5 16.278 -13.567 6.472 1.00 72.03 C ATOM 1982 C PRO B -5 17.428 -13.382 7.455 1.00 4.21 C ATOM 1983 O PRO B -5 18.028 -12.309 7.528 1.00 23.44 O ATOM 1984 CB PRO B -5 16.448 -12.636 5.269 1.00 74.15 C ATOM 1985 CG PRO B -5 15.636 -11.433 5.603 1.00 12.32 C ATOM 1986 CD PRO B -5 14.470 -11.931 6.411 1.00 33.32 C ATOM 0 HA PRO B -5 16.292 -14.626 6.215 1.00 72.03 H new ATOM 0 HB2 PRO B -5 17.495 -12.376 5.114 1.00 74.15 H new ATOM 0 HB3 PRO B -5 16.098 -13.108 4.351 1.00 74.15 H new ATOM 0 HG2 PRO B -5 16.224 -10.711 6.170 1.00 12.32 H new ATOM 0 HG3 PRO B -5 15.297 -10.928 4.699 1.00 12.32 H new ATOM 0 HD2 PRO B -5 14.156 -11.200 7.157 1.00 33.32 H new ATOM 0 HD3 PRO B -5 13.604 -12.136 5.782 1.00 33.32 H new ATOM 1994 N SER B -4 17.731 -14.434 8.209 1.00 4.53 N ATOM 1995 CA SER B -4 18.809 -14.385 9.191 1.00 35.21 C ATOM 1996 C SER B -4 20.136 -14.798 8.562 1.00 33.21 C ATOM 1997 O SER B -4 21.158 -14.885 9.243 1.00 14.13 O ATOM 1998 CB SER B -4 18.487 -15.297 10.377 1.00 45.01 C ATOM 1999 OG SER B -4 19.578 -15.363 11.279 1.00 10.14 O ATOM 0 H SER B -4 17.246 -15.330 8.159 1.00 4.53 H new ATOM 0 HA SER B -4 18.900 -13.358 9.545 1.00 35.21 H new ATOM 0 HB2 SER B -4 17.603 -14.926 10.896 1.00 45.01 H new ATOM 0 HB3 SER B -4 18.248 -16.297 10.016 1.00 45.01 H new ATOM 0 HG SER B -4 20.376 -14.983 10.856 1.00 10.14 H new ATOM 2005 N ARG B -3 20.112 -15.052 7.258 1.00 74.02 N ATOM 2006 CA ARG B -3 21.312 -15.457 6.536 1.00 33.20 C ATOM 2007 C ARG B -3 22.461 -14.491 6.807 1.00 25.43 C ATOM 2008 O ARG B -3 22.264 -13.367 7.269 1.00 65.21 O ATOM 2009 CB ARG B -3 21.031 -15.524 5.034 1.00 40.33 C ATOM 2010 CG ARG B -3 20.826 -16.937 4.514 1.00 23.43 C ATOM 2011 CD ARG B -3 19.715 -17.652 5.267 1.00 52.11 C ATOM 2012 NE ARG B -3 18.876 -18.450 4.377 1.00 40.25 N ATOM 2013 CZ ARG B -3 17.896 -17.941 3.638 1.00 43.21 C ATOM 2014 NH1 ARG B -3 17.634 -16.642 3.683 1.00 40.13 N ATOM 2015 NH2 ARG B -3 17.177 -18.732 2.852 1.00 51.42 N ATOM 0 H ARG B -3 19.275 -14.984 6.680 1.00 74.02 H new ATOM 0 HA ARG B -3 21.601 -16.447 6.889 1.00 33.20 H new ATOM 0 HB2 ARG B -3 20.143 -14.932 4.813 1.00 40.33 H new ATOM 0 HB3 ARG B -3 21.861 -15.065 4.497 1.00 40.33 H new ATOM 0 HG2 ARG B -3 20.584 -16.903 3.452 1.00 23.43 H new ATOM 0 HG3 ARG B -3 21.754 -17.500 4.612 1.00 23.43 H new ATOM 0 HD2 ARG B -3 20.151 -18.297 6.029 1.00 52.11 H new ATOM 0 HD3 ARG B -3 19.098 -16.918 5.785 1.00 52.11 H new ATOM 0 HE ARG B -3 19.052 -19.453 4.320 1.00 40.25 H new ATOM 0 HH11 ARG B -3 18.185 -16.031 4.286 1.00 40.13 H new ATOM 0 HH12 ARG B -3 16.881 -16.254 3.115 1.00 40.13 H new ATOM 0 HH21 ARG B -3 17.376 -19.732 2.815 1.00 51.42 H new ATOM 0 HH22 ARG B -3 16.425 -18.340 2.285 1.00 51.42 H new ATOM 2029 N PRO B -2 23.692 -14.939 6.515 1.00 52.52 N ATOM 2030 CA PRO B -2 24.897 -14.130 6.719 1.00 42.21 C ATOM 2031 C PRO B -2 24.983 -12.961 5.743 1.00 25.30 C ATOM 2032 O PRO B -2 25.752 -12.023 5.950 1.00 1.12 O ATOM 2033 CB PRO B -2 26.036 -15.121 6.468 1.00 22.21 C ATOM 2034 CG PRO B -2 25.448 -16.154 5.570 1.00 21.43 C ATOM 2035 CD PRO B -2 24.001 -16.268 5.962 1.00 53.23 C ATOM 0 HA PRO B -2 24.920 -13.675 7.709 1.00 42.21 H new ATOM 0 HB2 PRO B -2 26.891 -14.632 6.002 1.00 22.21 H new ATOM 0 HB3 PRO B -2 26.390 -15.562 7.400 1.00 22.21 H new ATOM 0 HG2 PRO B -2 25.547 -15.864 4.524 1.00 21.43 H new ATOM 0 HG3 PRO B -2 25.960 -17.109 5.686 1.00 21.43 H new ATOM 0 HD2 PRO B -2 23.370 -16.503 5.105 1.00 53.23 H new ATOM 0 HD3 PRO B -2 23.845 -17.056 6.699 1.00 53.23 H new ATOM 2043 N ALA B -1 24.190 -13.025 4.679 1.00 34.01 N ATOM 2044 CA ALA B -1 24.175 -11.971 3.673 1.00 51.33 C ATOM 2045 C ALA B -1 25.520 -11.872 2.961 1.00 70.41 C ATOM 2046 O ALA B -1 26.354 -11.021 3.272 1.00 35.52 O ATOM 2047 CB ALA B -1 23.814 -10.637 4.311 1.00 64.25 C ATOM 0 H ALA B -1 23.549 -13.796 4.491 1.00 34.01 H new ATOM 0 HA ALA B -1 23.418 -12.223 2.930 1.00 51.33 H new ATOM 0 HB1 ALA B -1 23.807 -9.859 3.548 1.00 64.25 H new ATOM 0 HB2 ALA B -1 22.827 -10.707 4.767 1.00 64.25 H new ATOM 0 HB3 ALA B -1 24.550 -10.388 5.076 1.00 64.25 H new ATOM 2053 N PRO B 0 25.739 -12.763 1.982 1.00 21.35 N ATOM 2054 CA PRO B 0 26.982 -12.797 1.206 1.00 3.04 C ATOM 2055 C PRO B 0 27.118 -11.596 0.277 1.00 42.20 C ATOM 2056 O PRO B 0 26.122 -11.002 -0.137 1.00 3.43 O ATOM 2057 CB PRO B 0 26.859 -14.089 0.395 1.00 22.44 C ATOM 2058 CG PRO B 0 25.393 -14.328 0.283 1.00 20.24 C ATOM 2059 CD PRO B 0 24.790 -13.806 1.558 1.00 52.10 C ATOM 0 HA PRO B 0 27.863 -12.762 1.846 1.00 3.04 H new ATOM 0 HB2 PRO B 0 27.319 -13.985 -0.588 1.00 22.44 H new ATOM 0 HB3 PRO B 0 27.358 -14.919 0.895 1.00 22.44 H new ATOM 0 HG2 PRO B 0 24.979 -13.813 -0.584 1.00 20.24 H new ATOM 0 HG3 PRO B 0 25.179 -15.389 0.156 1.00 20.24 H new ATOM 0 HD2 PRO B 0 23.792 -13.399 1.393 1.00 52.10 H new ATOM 0 HD3 PRO B 0 24.694 -14.591 2.308 1.00 52.10 H new ATOM 2067 N LYS B 1 28.357 -11.243 -0.049 1.00 1.23 N ATOM 2068 CA LYS B 1 28.624 -10.113 -0.931 1.00 64.21 C ATOM 2069 C LYS B 1 28.760 -10.574 -2.379 1.00 0.12 C ATOM 2070 O LYS B 1 29.020 -11.744 -2.661 1.00 42.34 O ATOM 2071 CB LYS B 1 29.899 -9.388 -0.494 1.00 23.53 C ATOM 2072 CG LYS B 1 29.675 -8.383 0.622 1.00 0.13 C ATOM 2073 CD LYS B 1 29.478 -9.072 1.962 1.00 11.33 C ATOM 2074 CE LYS B 1 29.708 -8.113 3.121 1.00 63.52 C ATOM 2075 NZ LYS B 1 28.836 -6.910 3.027 1.00 22.10 N ATOM 0 H LYS B 1 29.192 -11.724 0.285 1.00 1.23 H new ATOM 0 HA LYS B 1 27.781 -9.425 -0.864 1.00 64.21 H new ATOM 0 HB2 LYS B 1 30.632 -10.125 -0.166 1.00 23.53 H new ATOM 0 HB3 LYS B 1 30.327 -8.874 -1.354 1.00 23.53 H new ATOM 0 HG2 LYS B 1 30.528 -7.708 0.681 1.00 0.13 H new ATOM 0 HG3 LYS B 1 28.801 -7.773 0.394 1.00 0.13 H new ATOM 0 HD2 LYS B 1 28.468 -9.478 2.019 1.00 11.33 H new ATOM 0 HD3 LYS B 1 30.165 -9.915 2.044 1.00 11.33 H new ATOM 0 HE2 LYS B 1 29.516 -8.628 4.062 1.00 63.52 H new ATOM 0 HE3 LYS B 1 30.753 -7.804 3.135 1.00 63.52 H new ATOM 0 HZ1 LYS B 1 28.910 -6.358 3.905 1.00 22.10 H new ATOM 0 HZ2 LYS B 1 29.139 -6.324 2.223 1.00 22.10 H new ATOM 0 HZ3 LYS B 1 27.849 -7.207 2.886 1.00 22.10 H new ATOM 2089 N PRO B 2 28.582 -9.634 -3.319 1.00 75.20 N ATOM 2090 CA PRO B 2 28.681 -9.920 -4.753 1.00 64.33 C ATOM 2091 C PRO B 2 30.112 -10.221 -5.186 1.00 43.11 C ATOM 2092 O PRO B 2 31.072 -9.982 -4.452 1.00 54.13 O ATOM 2093 CB PRO B 2 28.185 -8.629 -5.408 1.00 52.11 C ATOM 2094 CG PRO B 2 28.447 -7.567 -4.397 1.00 52.51 C ATOM 2095 CD PRO B 2 28.269 -8.220 -3.054 1.00 50.34 C ATOM 0 HA PRO B 2 28.107 -10.803 -5.033 1.00 64.33 H new ATOM 0 HB2 PRO B 2 28.715 -8.429 -6.339 1.00 52.11 H new ATOM 0 HB3 PRO B 2 27.124 -8.691 -5.652 1.00 52.11 H new ATOM 0 HG2 PRO B 2 29.455 -7.165 -4.505 1.00 52.51 H new ATOM 0 HG3 PRO B 2 27.756 -6.733 -4.520 1.00 52.51 H new ATOM 0 HD2 PRO B 2 28.939 -7.793 -2.308 1.00 50.34 H new ATOM 0 HD3 PRO B 2 27.253 -8.097 -2.679 1.00 50.34 H new ATOM 2103 N PRO B 3 30.262 -10.757 -6.406 1.00 60.24 N ATOM 2104 CA PRO B 3 31.573 -11.101 -6.965 1.00 2.14 C ATOM 2105 C PRO B 3 32.403 -9.866 -7.298 1.00 51.14 C ATOM 2106 O PRO B 3 33.633 -9.912 -7.290 1.00 10.00 O ATOM 2107 CB PRO B 3 31.225 -11.872 -8.240 1.00 54.34 C ATOM 2108 CG PRO B 3 29.873 -11.377 -8.625 1.00 10.34 C ATOM 2109 CD PRO B 3 29.163 -11.069 -7.335 1.00 52.14 C ATOM 0 HA PRO B 3 32.180 -11.669 -6.260 1.00 2.14 H new ATOM 0 HB2 PRO B 3 31.955 -11.684 -9.028 1.00 54.34 H new ATOM 0 HB3 PRO B 3 31.217 -12.947 -8.063 1.00 54.34 H new ATOM 0 HG2 PRO B 3 29.946 -10.488 -9.252 1.00 10.34 H new ATOM 0 HG3 PRO B 3 29.331 -12.128 -9.199 1.00 10.34 H new ATOM 0 HD2 PRO B 3 28.478 -10.228 -7.444 1.00 52.14 H new ATOM 0 HD3 PRO B 3 28.573 -11.918 -6.989 1.00 52.14 H new